data_18152 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18152 _Entry.PDB_ID 2LN7 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 18152 _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 7 7 GLN N N 7 122.485 122.485 125.574 -3.089 18152 2 1 1 . 1 1 7 7 GLN CA C 7 55.218 55.218 56.845 -1.627 18152 3 1 1 . 1 1 7 7 GLN CB C 7 28.842 28.842 29.071 -0.229 18152 4 1 1 . 1 1 7 7 GLN H H 7 8.175 8.175 8.591 -0.416 18152 5 1 1 . 1 1 8 8 THR N N 8 115.244 115.244 114.123 1.121 18152 6 1 1 . 1 1 8 8 THR HA H 8 4.189 4.189 4.332 -0.143 18152 7 1 1 . 1 1 8 8 THR C C 8 173.961 173.961 174.621 -0.660 18152 8 1 1 . 1 1 8 8 THR CA C 8 61.486 61.486 62.672 -1.187 18152 9 1 1 . 1 1 8 8 THR CB C 8 69.316 69.316 69.020 0.296 18152 10 1 1 . 1 1 8 8 THR H H 8 8.027 8.027 8.212 -0.185 18152 11 1 1 . 1 1 9 9 GLU N N 9 123.496 123.496 122.710 0.786 18152 12 1 1 . 1 1 9 9 GLU HA H 9 4.060 4.060 4.461 -0.401 18152 13 1 1 . 1 1 9 9 GLU C C 9 175.555 175.555 175.532 0.023 18152 14 1 1 . 1 1 9 9 GLU CA C 9 55.868 55.868 55.869 -0.001 18152 15 1 1 . 1 1 9 9 GLU CB C 9 29.611 29.611 30.933 -1.321 18152 16 1 1 . 1 1 9 9 GLU H H 9 8.225 8.225 8.379 -0.154 18152 17 1 1 . 1 1 10 10 HIS N N 10 119.084 119.084 117.416 1.668 18152 18 1 1 . 1 1 10 10 HIS HA H 10 4.384 4.384 4.399 -0.015 18152 19 1 1 . 1 1 10 10 HIS C C 10 173.742 173.742 174.377 -0.635 18152 20 1 1 . 1 1 10 10 HIS CA C 10 53.932 53.932 55.939 -2.007 18152 21 1 1 . 1 1 10 10 HIS CB C 10 28.922 28.922 29.640 -0.718 18152 22 1 1 . 1 1 10 10 HIS H H 10 7.357 7.357 8.098 -0.741 18152 23 1 1 . 1 1 11 11 LYS N N 11 121.509 121.509 125.203 -3.694 18152 24 1 1 . 1 1 11 11 LYS HA H 11 4.469 4.469 4.621 -0.152 18152 25 1 1 . 1 1 11 11 LYS C C 11 176.210 176.210 175.725 0.485 18152 26 1 1 . 1 1 11 11 LYS CA C 11 54.245 54.245 54.886 -0.641 18152 27 1 1 . 1 1 11 11 LYS CB C 11 33.548 33.548 35.685 -2.137 18152 28 1 1 . 1 1 11 11 LYS H H 11 8.409 8.409 8.066 0.343 18152 29 1 1 . 1 1 12 12 GLU N N 12 123.025 123.025 123.017 0.008 18152 30 1 1 . 1 1 12 12 GLU HA H 12 4.240 4.240 4.287 -0.047 18152 31 1 1 . 1 1 12 12 GLU C C 12 178.023 178.023 177.454 0.569 18152 32 1 1 . 1 1 12 12 GLU CA C 12 58.350 58.350 58.348 0.002 18152 33 1 1 . 1 1 12 12 GLU CB C 12 29.254 29.254 29.477 -0.223 18152 34 1 1 . 1 1 12 12 GLU H H 12 8.929 8.929 9.055 -0.126 18152 35 1 1 . 1 1 13 13 GLY N N 13 113.216 113.216 113.288 -0.072 18152 36 1 1 . 1 1 13 13 GLY C C 13 174.141 174.141 174.370 -0.229 18152 37 1 1 . 1 1 13 13 GLY CA C 13 45.243 45.243 45.224 0.019 18152 38 1 1 . 1 1 13 13 GLY H H 13 9.714 9.714 9.238 0.476 18152 39 1 1 . 1 1 14 14 GLU N N 14 120.782 120.782 120.744 0.038 18152 40 1 1 . 1 1 14 14 GLU HA H 14 4.472 4.472 4.775 -0.303 18152 41 1 1 . 1 1 14 14 GLU C C 14 176.436 176.436 175.519 0.917 18152 42 1 1 . 1 1 14 14 GLU CA C 14 55.641 55.641 54.418 1.223 18152 43 1 1 . 1 1 14 14 GLU CB C 14 30.989 30.989 32.794 -1.805 18152 44 1 1 . 1 1 14 14 GLU H H 14 8.289 8.289 7.893 0.396 18152 45 1 1 . 1 1 15 15 LYS N N 15 125.126 125.126 126.465 -1.339 18152 46 1 1 . 1 1 15 15 LYS HA H 15 4.100 4.100 3.808 0.292 18152 47 1 1 . 1 1 15 15 LYS C C 15 176.970 176.970 176.372 0.598 18152 48 1 1 . 1 1 15 15 LYS CA C 15 57.098 57.098 57.590 -0.492 18152 49 1 1 . 1 1 15 15 LYS CB C 15 31.680 31.680 31.739 -0.059 18152 50 1 1 . 1 1 15 15 LYS H H 15 8.978 8.978 9.014 -0.036 18152 51 1 1 . 1 1 16 16 VAL N N 16 119.214 119.214 122.830 -3.616 18152 52 1 1 . 1 1 16 16 VAL HA H 16 4.572 4.572 4.238 0.334 18152 53 1 1 . 1 1 16 16 VAL C C 16 174.148 174.148 174.311 -0.163 18152 54 1 1 . 1 1 16 16 VAL CA C 16 60.141 60.141 61.590 -1.449 18152 55 1 1 . 1 1 16 16 VAL CB C 16 34.881 34.881 33.210 1.671 18152 56 1 1 . 1 1 16 16 VAL H H 16 8.976 8.976 7.948 1.028 18152 57 1 1 . 1 1 17 17 ALA N N 17 121.368 121.368 120.042 1.326 18152 58 1 1 . 1 1 17 17 ALA HA H 17 5.186 5.186 4.973 0.213 18152 59 1 1 . 1 1 17 17 ALA C C 17 174.664 174.664 174.663 0.001 18152 60 1 1 . 1 1 17 17 ALA CA C 17 51.098 51.098 50.173 0.925 18152 61 1 1 . 1 1 17 17 ALA CB C 17 22.853 22.853 22.314 0.539 18152 62 1 1 . 1 1 17 17 ALA H H 17 8.069 8.069 7.447 0.622 18152 63 1 1 . 1 1 18 18 MET N N 18 116.475 116.475 120.149 -3.674 18152 64 1 1 . 1 1 18 18 MET HA H 18 5.303 5.303 4.864 0.439 18152 65 1 1 . 1 1 18 18 MET C C 18 174.413 174.413 174.105 0.308 18152 66 1 1 . 1 1 18 18 MET CA C 18 53.607 53.607 54.436 -0.829 18152 67 1 1 . 1 1 18 18 MET CB C 18 35.038 35.038 36.675 -1.637 18152 68 1 1 . 1 1 18 18 MET H H 18 8.142 8.142 8.253 -0.111 18152 69 1 1 . 1 1 19 19 LEU N N 19 126.244 126.244 127.222 -0.978 18152 70 1 1 . 1 1 19 19 LEU HA H 19 5.268 5.268 5.187 0.081 18152 71 1 1 . 1 1 19 19 LEU C C 19 173.617 173.617 174.256 -0.639 18152 72 1 1 . 1 1 19 19 LEU CA C 19 52.851 52.851 53.946 -1.095 18152 73 1 1 . 1 1 19 19 LEU CB C 19 44.705 44.705 44.672 0.034 18152 74 1 1 . 1 1 19 19 LEU H H 19 9.369 9.369 9.302 0.067 18152 75 1 1 . 1 1 20 20 ASN N N 20 126.596 126.596 125.532 1.064 18152 76 1 1 . 1 1 20 20 ASN HA H 20 5.340 5.340 5.484 -0.144 18152 77 1 1 . 1 1 20 20 ASN C C 20 174.316 174.316 173.710 0.606 18152 78 1 1 . 1 1 20 20 ASN CA C 20 51.344 51.344 51.855 -0.511 18152 79 1 1 . 1 1 20 20 ASN CB C 20 40.972 40.972 42.661 -1.689 18152 80 1 1 . 1 1 20 20 ASN H H 20 10.032 10.032 9.411 0.621 18152 81 1 1 . 1 1 21 21 ILE N N 21 123.799 123.799 125.157 -1.358 18152 82 1 1 . 1 1 21 21 ILE HA H 21 4.829 4.829 4.898 -0.069 18152 83 1 1 . 1 1 21 21 ILE C C 21 174.409 174.409 174.307 0.102 18152 84 1 1 . 1 1 21 21 ILE CA C 21 58.243 58.243 58.130 0.113 18152 85 1 1 . 1 1 21 21 ILE CB C 21 37.477 37.477 39.545 -2.068 18152 86 1 1 . 1 1 21 21 ILE H H 21 8.614 8.614 9.273 -0.659 18152 87 1 1 . 1 1 22 22 PRO HA H 22 4.178 4.178 4.380 -0.202 18152 88 1 1 . 1 1 22 22 PRO CA C 22 65.629 65.629 65.335 0.294 18152 89 1 1 . 1 1 22 22 PRO CB C 22 31.806 31.806 32.022 -0.216 18152 90 1 1 . 1 1 23 23 LYS N N 23 118.170 118.170 118.959 -0.789 18152 91 1 1 . 1 1 23 23 LYS HA H 23 3.943 3.943 4.147 -0.204 18152 92 1 1 . 1 1 23 23 LYS C C 23 177.231 177.231 177.807 -0.576 18152 93 1 1 . 1 1 23 23 LYS CA C 23 58.643 58.643 58.950 -0.307 18152 94 1 1 . 1 1 23 23 LYS CB C 23 33.171 33.171 32.423 0.748 18152 95 1 1 . 1 1 23 23 LYS H H 23 9.365 9.365 8.360 1.005 18152 96 1 1 . 1 1 24 24 LEU N N 24 111.984 111.984 116.600 -4.616 18152 97 1 1 . 1 1 24 24 LEU HA H 24 4.319 4.319 4.513 -0.194 18152 98 1 1 . 1 1 24 24 LEU C C 24 175.562 175.562 175.895 -0.333 18152 99 1 1 . 1 1 24 24 LEU CA C 24 52.965 52.965 54.083 -1.118 18152 100 1 1 . 1 1 24 24 LEU CB C 24 42.473 42.473 41.516 0.957 18152 101 1 1 . 1 1 24 24 LEU H H 24 6.919 6.919 8.136 -1.217 18152 102 1 1 . 1 1 25 25 LYS N N 25 115.814 115.814 116.576 -0.762 18152 103 1 1 . 1 1 25 25 LYS HA H 25 3.849 3.849 4.032 -0.183 18152 104 1 1 . 1 1 25 25 LYS C C 25 175.297 175.297 175.573 -0.276 18152 105 1 1 . 1 1 25 25 LYS CA C 25 56.598 56.598 57.464 -0.866 18152 106 1 1 . 1 1 25 25 LYS CB C 25 28.918 28.918 30.083 -1.165 18152 107 1 1 . 1 1 25 25 LYS H H 25 7.912 7.912 7.221 0.691 18152 108 1 1 . 1 1 26 26 LYS N N 26 115.145 115.145 119.197 -4.052 18152 109 1 1 . 1 1 26 26 LYS HA H 26 4.559 4.559 4.385 0.174 18152 110 1 1 . 1 1 26 26 LYS C C 26 173.961 173.961 175.004 -1.043 18152 111 1 1 . 1 1 26 26 LYS CA C 26 53.788 53.788 54.944 -1.156 18152 112 1 1 . 1 1 26 26 LYS CB C 26 37.483 37.483 35.573 1.910 18152 113 1 1 . 1 1 26 26 LYS H H 26 6.765 6.765 7.829 -1.064 18152 114 1 1 . 1 1 27 27 LYS N N 27 119.758 119.758 120.895 -1.137 18152 115 1 1 . 1 1 27 27 LYS HA H 27 5.452 5.452 5.185 0.267 18152 116 1 1 . 1 1 27 27 LYS C C 27 175.482 175.482 175.412 0.070 18152 117 1 1 . 1 1 27 27 LYS CA C 27 53.883 53.883 55.077 -1.194 18152 118 1 1 . 1 1 27 27 LYS CB C 27 35.855 35.855 35.188 0.667 18152 119 1 1 . 1 1 27 27 LYS H H 27 7.885 7.885 8.084 -0.199 18152 120 1 1 . 1 1 28 28 PHE N N 28 119.077 119.077 121.274 -2.197 18152 121 1 1 . 1 1 28 28 PHE HA H 28 4.871 4.871 4.866 0.005 18152 122 1 1 . 1 1 28 28 PHE C C 28 175.477 175.477 174.467 1.010 18152 123 1 1 . 1 1 28 28 PHE CA C 28 56.100 56.100 56.863 -0.763 18152 124 1 1 . 1 1 28 28 PHE CB C 28 42.734 42.734 44.006 -1.272 18152 125 1 1 . 1 1 28 28 PHE H H 28 9.397 9.397 9.512 -0.115 18152 126 1 1 . 1 1 29 29 SER N N 29 121.189 121.189 118.052 3.137 18152 127 1 1 . 1 1 29 29 SER HA H 29 4.848 4.848 4.534 0.314 18152 128 1 1 . 1 1 29 29 SER C C 29 172.010 172.010 173.573 -1.563 18152 129 1 1 . 1 1 29 29 SER CA C 29 59.961 59.961 57.973 1.988 18152 130 1 1 . 1 1 29 29 SER CB C 29 64.433 64.433 63.833 0.600 18152 131 1 1 . 1 1 29 29 SER H H 29 9.010 9.010 8.797 0.213 18152 132 1 1 . 1 1 30 30 ILE N N 30 120.881 120.881 125.935 -5.054 18152 133 1 1 . 1 1 30 30 ILE HA H 30 4.942 4.942 4.467 0.475 18152 134 1 1 . 1 1 30 30 ILE C C 30 174.874 174.874 174.342 0.532 18152 135 1 1 . 1 1 30 30 ILE CA C 30 57.775 57.775 59.870 -2.095 18152 136 1 1 . 1 1 30 30 ILE CB C 30 38.001 38.001 38.836 -0.835 18152 137 1 1 . 1 1 30 30 ILE H H 30 8.084 8.084 8.064 0.020 18152 138 1 1 . 1 1 31 31 TYR N N 31 127.573 127.573 125.839 1.734 18152 139 1 1 . 1 1 31 31 TYR HA H 31 5.299 5.299 4.996 0.303 18152 140 1 1 . 1 1 31 31 TYR C C 31 174.806 174.806 175.636 -0.830 18152 141 1 1 . 1 1 31 31 TYR CA C 31 56.120 56.120 56.391 -0.271 18152 142 1 1 . 1 1 31 31 TYR CB C 31 41.139 41.139 40.980 0.159 18152 143 1 1 . 1 1 31 31 TYR H H 31 9.174 9.174 8.589 0.585 18152 144 1 1 . 1 1 32 32 TRP N N 32 121.993 121.993 123.325 -1.332 18152 145 1 1 . 1 1 32 32 TRP HA H 32 4.583 4.583 4.449 0.134 18152 146 1 1 . 1 1 32 32 TRP C C 32 175.194 175.194 176.024 -0.830 18152 147 1 1 . 1 1 32 32 TRP CA C 32 57.396 57.396 59.072 -1.675 18152 148 1 1 . 1 1 32 32 TRP CB C 32 29.670 29.670 30.587 -0.917 18152 149 1 1 . 1 1 32 32 TRP H H 32 9.007 9.007 9.291 -0.284 18152 150 1 1 . 1 1 33 33 GLY N N 33 120.470 120.470 112.926 7.544 18152 151 1 1 . 1 1 33 33 GLY C C 33 171.936 171.936 171.825 0.111 18152 152 1 1 . 1 1 33 33 GLY CA C 33 44.532 44.532 44.397 0.135 18152 153 1 1 . 1 1 33 33 GLY H H 33 7.758 7.758 7.370 0.388 18152 154 1 1 . 1 1 34 34 ALA N N 34 120.239 120.239 124.173 -3.934 18152 155 1 1 . 1 1 34 34 ALA HA H 34 4.447 4.447 4.334 0.113 18152 156 1 1 . 1 1 34 34 ALA C C 34 176.174 176.174 176.194 -0.020 18152 157 1 1 . 1 1 34 34 ALA CA C 34 49.913 49.913 50.541 -0.628 18152 158 1 1 . 1 1 34 34 ALA CB C 34 18.955 18.955 20.062 -1.107 18152 159 1 1 . 1 1 34 34 ALA H H 34 7.883 7.883 7.846 0.037 18152 160 1 1 . 1 1 35 35 ASP N N 35 118.828 118.828 124.742 -5.914 18152 161 1 1 . 1 1 35 35 ASP HA H 35 4.450 4.450 4.437 0.013 18152 162 1 1 . 1 1 35 35 ASP C C 35 175.990 175.990 175.847 0.143 18152 163 1 1 . 1 1 35 35 ASP CA C 35 53.030 53.030 54.660 -1.629 18152 164 1 1 . 1 1 35 35 ASP CB C 35 41.508 41.508 41.318 0.190 18152 165 1 1 . 1 1 35 35 ASP H H 35 7.944 7.944 8.171 -0.227 18152 166 1 1 . 1 1 36 36 ASP N N 36 121.051 121.051 123.544 -2.493 18152 167 1 1 . 1 1 36 36 ASP HA H 36 4.335 4.335 4.359 -0.024 18152 168 1 1 . 1 1 36 36 ASP C C 36 177.296 177.296 176.922 0.374 18152 169 1 1 . 1 1 36 36 ASP CA C 36 55.183 55.183 54.608 0.575 18152 170 1 1 . 1 1 36 36 ASP CB C 36 39.837 39.837 41.126 -1.289 18152 171 1 1 . 1 1 36 36 ASP H H 36 8.509 8.509 8.517 -0.008 18152 172 1 1 . 1 1 37 37 ALA N N 37 119.568 119.568 121.215 -1.647 18152 173 1 1 . 1 1 37 37 ALA HA H 37 4.060 4.060 4.151 -0.091 18152 174 1 1 . 1 1 37 37 ALA C C 37 179.598 179.598 177.671 1.927 18152 175 1 1 . 1 1 37 37 ALA CA C 37 53.967 53.967 53.849 0.118 18152 176 1 1 . 1 1 37 37 ALA CB C 37 18.009 18.009 18.953 -0.944 18152 177 1 1 . 1 1 37 37 ALA H H 37 8.169 8.169 7.810 0.359 18152 178 1 1 . 1 1 38 38 THR HA H 38 3.850 3.850 4.363 -0.513 18152 179 1 1 . 1 1 38 38 THR CA C 38 68.437 68.437 60.270 8.167 18152 180 1 1 . 1 1 38 38 THR CB C 38 72.916 72.916 70.076 2.840 18152 181 1 1 . 1 1 38 38 THR H H 38 7.621 7.621 7.271 0.350 18152 182 1 1 . 1 1 42 42 GLY N N 42 106.310 106.310 107.120 -0.810 18152 183 1 1 . 1 1 42 42 GLY CA C 42 46.480 46.480 45.143 1.337 18152 184 1 1 . 1 1 43 43 VAL N N 43 121.961 121.961 120.849 1.112 18152 185 1 1 . 1 1 43 43 VAL HA H 43 4.481 4.481 4.916 -0.435 18152 186 1 1 . 1 1 43 43 VAL C C 43 174.308 174.308 174.684 -0.376 18152 187 1 1 . 1 1 43 43 VAL CA C 43 61.079 61.079 60.778 0.301 18152 188 1 1 . 1 1 43 43 VAL CB C 43 32.911 32.911 34.475 -1.564 18152 189 1 1 . 1 1 43 43 VAL H H 43 8.247 8.247 7.828 0.419 18152 190 1 1 . 1 1 44 44 GLY N N 44 114.325 114.325 113.228 1.097 18152 191 1 1 . 1 1 44 44 GLY C C 44 172.465 172.465 171.865 0.600 18152 192 1 1 . 1 1 44 44 GLY CA C 44 43.458 43.458 43.782 -0.324 18152 193 1 1 . 1 1 44 44 GLY H H 44 9.063 9.063 8.261 0.802 18152 194 1 1 . 1 1 45 45 MET N N 45 125.031 125.031 121.127 3.904 18152 195 1 1 . 1 1 45 45 MET HA H 45 4.742 4.742 5.122 -0.380 18152 196 1 1 . 1 1 45 45 MET C C 45 173.873 173.873 174.313 -0.440 18152 197 1 1 . 1 1 45 45 MET CA C 45 54.084 54.084 52.267 1.817 18152 198 1 1 . 1 1 45 45 MET CB C 45 34.548 34.548 34.968 -0.420 18152 199 1 1 . 1 1 45 45 MET H H 45 8.966 8.966 8.880 0.086 18152 200 1 1 . 1 1 46 46 PHE N N 46 127.637 127.637 127.623 0.014 18152 201 1 1 . 1 1 46 46 PHE HA H 46 3.611 3.611 4.253 -0.642 18152 202 1 1 . 1 1 46 46 PHE C C 46 175.023 175.023 174.771 0.252 18152 203 1 1 . 1 1 46 46 PHE CA C 46 59.286 59.286 59.158 0.127 18152 204 1 1 . 1 1 46 46 PHE CB C 46 40.644 40.644 39.661 0.983 18152 205 1 1 . 1 1 46 46 PHE H H 46 8.790 8.790 8.193 0.597 18152 206 1 1 . 1 1 47 47 VAL N N 47 130.695 130.695 128.356 2.339 18152 207 1 1 . 1 1 47 47 VAL HA H 47 3.663 3.663 4.253 -0.590 18152 208 1 1 . 1 1 47 47 VAL C C 47 174.235 174.235 174.009 0.226 18152 209 1 1 . 1 1 47 47 VAL CA C 47 61.455 61.455 60.397 1.058 18152 210 1 1 . 1 1 47 47 VAL CB C 47 32.002 32.002 32.919 -0.917 18152 211 1 1 . 1 1 47 47 VAL H H 47 7.942 7.942 7.703 0.239 18152 212 1 1 . 1 1 48 48 SER N N 48 120.391 120.391 123.470 -3.079 18152 213 1 1 . 1 1 48 48 SER HA H 48 4.626 4.626 4.772 -0.146 18152 214 1 1 . 1 1 48 48 SER C C 48 173.167 173.167 173.040 0.127 18152 215 1 1 . 1 1 48 48 SER CA C 48 57.384 57.384 57.228 0.156 18152 216 1 1 . 1 1 48 48 SER CB C 48 65.720 65.720 65.899 -0.179 18152 217 1 1 . 1 1 48 48 SER H H 48 7.971 7.971 8.773 -0.802 18152 218 1 1 . 1 1 49 49 ASP N N 49 117.498 117.498 120.225 -2.727 18152 219 1 1 . 1 1 49 49 ASP HA H 49 4.603 4.603 4.612 -0.009 18152 220 1 1 . 1 1 49 49 ASP C C 49 174.539 174.539 176.895 -2.356 18152 221 1 1 . 1 1 49 49 ASP CA C 49 55.222 55.222 56.091 -0.869 18152 222 1 1 . 1 1 49 49 ASP CB C 49 40.206 40.206 41.293 -1.087 18152 223 1 1 . 1 1 49 49 ASP H H 49 8.701 8.701 8.885 -0.184 18152 224 1 1 . 1 1 50 50 VAL N N 50 109.465 109.465 109.342 0.123 18152 225 1 1 . 1 1 50 50 VAL HA H 50 4.455 4.455 4.466 -0.011 18152 226 1 1 . 1 1 50 50 VAL C C 50 174.487 174.487 176.002 -1.515 18152 227 1 1 . 1 1 50 50 VAL CA C 50 60.840 60.840 62.262 -1.422 18152 228 1 1 . 1 1 50 50 VAL CB C 50 32.067 32.067 33.448 -1.381 18152 229 1 1 . 1 1 50 50 VAL H H 50 7.770 7.770 7.475 0.295 18152 230 1 1 . 1 1 51 51 THR N N 51 110.572 110.572 115.644 -5.072 18152 231 1 1 . 1 1 51 51 THR HA H 51 5.293 5.293 4.523 0.770 18152 232 1 1 . 1 1 51 51 THR C C 51 174.591 174.591 174.526 0.065 18152 233 1 1 . 1 1 51 51 THR CA C 51 58.487 58.487 61.955 -3.468 18152 234 1 1 . 1 1 51 51 THR CB C 51 71.674 71.674 69.812 1.862 18152 235 1 1 . 1 1 51 51 THR H H 51 7.095 7.095 7.881 -0.786 18152 236 1 1 . 1 1 52 52 THR N N 52 109.706 109.706 118.345 -8.639 18152 237 1 1 . 1 1 52 52 THR HA H 52 4.988 4.988 4.888 0.100 18152 238 1 1 . 1 1 52 52 THR C C 52 177.060 177.060 173.125 3.935 18152 239 1 1 . 1 1 52 52 THR CA C 52 59.777 59.777 60.415 -0.638 18152 240 1 1 . 1 1 52 52 THR CB C 52 72.911 72.911 71.696 1.215 18152 241 1 1 . 1 1 52 52 THR H H 52 8.836 8.836 8.883 -0.047 18152 242 1 1 . 1 1 53 53 THR N N 53 113.970 113.970 114.574 -0.604 18152 243 1 1 . 1 1 53 53 THR HA H 53 4.601 4.601 4.797 -0.196 18152 244 1 1 . 1 1 53 53 THR C C 53 176.085 176.085 173.125 2.960 18152 245 1 1 . 1 1 53 53 THR CA C 53 60.920 60.920 58.486 2.434 18152 246 1 1 . 1 1 53 53 THR CB C 53 67.192 67.192 69.844 -2.652 18152 247 1 1 . 1 1 53 53 THR H H 53 8.857 8.857 8.263 0.594 18152 248 1 1 . 1 1 54 54 PRO HA H 54 4.023 4.023 4.568 -0.545 18152 249 1 1 . 1 1 54 54 PRO CA C 54 64.658 64.658 62.534 2.124 18152 250 1 1 . 1 1 54 54 PRO CB C 54 29.665 29.665 30.203 -0.538 18152 251 1 1 . 1 1 55 55 SER N N 55 105.932 105.932 115.289 -9.357 18152 252 1 1 . 1 1 55 55 SER HA H 55 4.448 4.448 4.293 0.155 18152 253 1 1 . 1 1 55 55 SER C C 55 176.253 176.253 174.202 2.051 18152 254 1 1 . 1 1 55 55 SER CA C 55 58.086 58.086 57.828 0.258 18152 255 1 1 . 1 1 55 55 SER CB C 55 62.950 62.950 64.524 -1.574 18152 256 1 1 . 1 1 55 55 SER H H 55 6.879 6.879 7.768 -0.889 18152 257 1 1 . 1 1 56 56 GLY N N 56 109.826 109.826 109.712 0.114 18152 258 1 1 . 1 1 56 56 GLY C C 56 175.832 175.832 174.011 1.821 18152 259 1 1 . 1 1 56 56 GLY CA C 56 45.213 45.213 45.454 -0.241 18152 260 1 1 . 1 1 56 56 GLY H H 56 7.733 7.733 7.563 0.170 18152 261 1 1 . 1 1 57 57 GLY N N 57 105.805 105.805 110.437 -4.632 18152 262 1 1 . 1 1 57 57 GLY C C 57 172.905 172.905 173.481 -0.576 18152 263 1 1 . 1 1 57 57 GLY CA C 57 46.480 46.480 45.533 0.947 18152 264 1 1 . 1 1 57 57 GLY H H 57 7.481 7.481 8.586 -1.105 18152 265 1 1 . 1 1 58 58 GLY N N 58 109.086 109.086 110.011 -0.925 18152 266 1 1 . 1 1 58 58 GLY C C 58 172.807 172.807 172.573 0.234 18152 267 1 1 . 1 1 58 58 GLY CA C 58 43.642 43.642 44.548 -0.906 18152 268 1 1 . 1 1 58 58 GLY H H 58 7.549 7.549 7.863 -0.314 18152 269 1 1 . 1 1 59 59 HIS N N 59 127.776 127.776 121.279 6.497 18152 270 1 1 . 1 1 59 59 HIS HA H 59 5.162 5.162 4.756 0.406 18152 271 1 1 . 1 1 59 59 HIS C C 59 174.930 174.930 174.280 0.650 18152 272 1 1 . 1 1 59 59 HIS CA C 59 52.820 52.820 55.264 -2.444 18152 273 1 1 . 1 1 59 59 HIS CB C 59 30.250 30.250 30.321 -0.071 18152 274 1 1 . 1 1 59 59 HIS H H 59 9.517 9.517 8.760 0.757 18152 275 1 1 . 1 1 60 60 THR N N 60 127.768 127.768 125.232 2.536 18152 276 1 1 . 1 1 60 60 THR HA H 60 4.870 4.870 4.964 -0.094 18152 277 1 1 . 1 1 60 60 THR C C 60 171.847 171.847 173.144 -1.297 18152 278 1 1 . 1 1 60 60 THR CA C 60 61.358 61.358 62.291 -0.933 18152 279 1 1 . 1 1 60 60 THR CB C 60 69.821 69.821 69.740 0.081 18152 280 1 1 . 1 1 60 60 THR H H 60 9.769 9.769 9.193 0.576 18152 281 1 1 . 1 1 61 61 VAL N N 61 126.493 126.493 128.050 -1.557 18152 282 1 1 . 1 1 61 61 VAL HA H 61 4.641 4.641 5.040 -0.399 18152 283 1 1 . 1 1 61 61 VAL C C 61 173.794 173.794 174.435 -0.641 18152 284 1 1 . 1 1 61 61 VAL CA C 61 59.808 59.808 60.656 -0.848 18152 285 1 1 . 1 1 61 61 VAL CB C 61 33.334 33.334 34.248 -0.914 18152 286 1 1 . 1 1 61 61 VAL H H 61 8.534 8.534 8.303 0.231 18152 287 1 1 . 1 1 62 62 LEU N N 62 126.342 126.342 127.859 -1.517 18152 288 1 1 . 1 1 62 62 LEU HA H 62 5.345 5.345 4.858 0.487 18152 289 1 1 . 1 1 62 62 LEU C C 62 175.554 175.554 175.074 0.480 18152 290 1 1 . 1 1 62 62 LEU CA C 62 51.143 51.143 53.205 -2.062 18152 291 1 1 . 1 1 62 62 LEU CB C 62 43.344 43.344 44.760 -1.416 18152 292 1 1 . 1 1 62 62 LEU H H 62 9.284 9.284 9.434 -0.150 18152 293 1 1 . 1 1 63 63 SER N N 63 116.370 116.370 117.605 -1.235 18152 294 1 1 . 1 1 63 63 SER HA H 63 5.328 5.328 5.841 -0.513 18152 295 1 1 . 1 1 63 63 SER C C 63 174.576 174.576 173.737 0.839 18152 296 1 1 . 1 1 63 63 SER CA C 63 54.893 54.893 56.001 -1.108 18152 297 1 1 . 1 1 63 63 SER CB C 63 64.901 64.901 65.219 -0.318 18152 298 1 1 . 1 1 63 63 SER H H 63 9.117 9.117 8.463 0.654 18152 299 1 1 . 1 1 64 64 GLY N N 64 111.783 111.783 113.483 -1.700 18152 300 1 1 . 1 1 64 64 GLY C C 64 173.058 173.058 171.641 1.417 18152 301 1 1 . 1 1 64 64 GLY CA C 64 45.547 45.547 44.572 0.975 18152 302 1 1 . 1 1 64 64 GLY H H 64 8.723 8.723 8.212 0.511 18152 303 1 1 . 1 1 74 74 GLY C C 74 173.703 173.703 175.676 -1.973 18152 304 1 1 . 1 1 74 74 GLY CA C 74 45.507 45.507 45.671 -0.164 18152 305 1 1 . 1 1 75 75 GLN N N 75 116.093 116.093 119.504 -3.411 18152 306 1 1 . 1 1 75 75 GLN HA H 75 4.229 4.229 4.210 0.019 18152 307 1 1 . 1 1 75 75 GLN C C 75 177.319 177.319 176.957 0.362 18152 308 1 1 . 1 1 75 75 GLN CA C 75 56.016 56.016 58.022 -2.006 18152 309 1 1 . 1 1 75 75 GLN CB C 75 29.310 29.310 29.503 -0.193 18152 310 1 1 . 1 1 75 75 GLN H H 75 7.598 7.598 7.743 -0.145 18152 311 1 1 . 1 1 76 76 LEU N N 76 117.894 117.894 119.681 -1.787 18152 312 1 1 . 1 1 76 76 LEU HA H 76 4.373 4.373 4.377 -0.004 18152 313 1 1 . 1 1 76 76 LEU C C 76 175.639 175.639 175.456 0.183 18152 314 1 1 . 1 1 76 76 LEU CA C 76 54.578 54.578 54.830 -0.252 18152 315 1 1 . 1 1 76 76 LEU CB C 76 41.720 41.720 40.167 1.553 18152 316 1 1 . 1 1 76 76 LEU H H 76 7.285 7.285 7.518 -0.233 18152 317 1 1 . 1 1 77 77 LYS N N 77 122.287 122.287 122.192 0.095 18152 318 1 1 . 1 1 77 77 LYS HA H 77 4.545 4.545 4.503 0.042 18152 319 1 1 . 1 1 77 77 LYS C C 77 175.553 175.553 176.087 -0.534 18152 320 1 1 . 1 1 77 77 LYS CA C 77 53.336 53.336 55.805 -2.469 18152 321 1 1 . 1 1 77 77 LYS CB C 77 36.380 36.380 34.560 1.820 18152 322 1 1 . 1 1 77 77 LYS H H 77 9.513 9.513 7.633 1.880 18152 323 1 1 . 1 1 78 78 GLU N N 78 118.949 118.949 122.411 -3.462 18152 324 1 1 . 1 1 78 78 GLU HA H 78 3.523 3.523 4.322 -0.799 18152 325 1 1 . 1 1 78 78 GLU C C 78 177.053 177.053 176.629 0.424 18152 326 1 1 . 1 1 78 78 GLU CA C 78 59.205 59.205 58.472 0.733 18152 327 1 1 . 1 1 78 78 GLU CB C 78 28.284 28.284 29.601 -1.317 18152 328 1 1 . 1 1 78 78 GLU H H 78 8.900 8.900 8.798 0.102 18152 329 1 1 . 1 1 79 79 LYS N N 79 114.843 114.843 116.138 -1.295 18152 330 1 1 . 1 1 79 79 LYS HA H 79 3.751 3.751 4.285 -0.534 18152 331 1 1 . 1 1 79 79 LYS C C 79 176.434 176.434 176.573 -0.139 18152 332 1 1 . 1 1 79 79 LYS CA C 79 59.231 59.231 56.667 2.563 18152 333 1 1 . 1 1 79 79 LYS CB C 79 29.657 29.657 32.260 -2.603 18152 334 1 1 . 1 1 79 79 LYS H H 79 8.909 8.909 7.887 1.022 18152 335 1 1 . 1 1 80 80 ASP N N 80 119.664 119.664 120.250 -0.586 18152 336 1 1 . 1 1 80 80 ASP HA H 80 4.946 4.946 4.757 0.189 18152 337 1 1 . 1 1 80 80 ASP C C 80 175.886 175.886 174.752 1.134 18152 338 1 1 . 1 1 80 80 ASP CA C 80 55.661 55.661 54.462 1.199 18152 339 1 1 . 1 1 80 80 ASP CB C 80 41.782 41.782 42.471 -0.689 18152 340 1 1 . 1 1 80 80 ASP H H 80 8.052 8.052 7.537 0.515 18152 341 1 1 . 1 1 81 81 THR N N 81 111.597 111.597 113.135 -1.538 18152 342 1 1 . 1 1 81 81 THR HA H 81 5.321 5.321 4.794 0.527 18152 343 1 1 . 1 1 81 81 THR C C 81 174.221 174.221 173.355 0.866 18152 344 1 1 . 1 1 81 81 THR CA C 81 61.103 61.103 60.873 0.230 18152 345 1 1 . 1 1 81 81 THR CB C 81 71.264 71.264 72.166 -0.902 18152 346 1 1 . 1 1 81 81 THR H H 81 8.083 8.083 8.222 -0.139 18152 347 1 1 . 1 1 82 82 LEU N N 82 120.358 120.358 123.475 -3.117 18152 348 1 1 . 1 1 82 82 LEU HA H 82 4.836 4.836 4.773 0.063 18152 349 1 1 . 1 1 82 82 LEU C C 82 174.850 174.850 175.840 -0.990 18152 350 1 1 . 1 1 82 82 LEU CA C 82 53.721 53.721 54.043 -0.322 18152 351 1 1 . 1 1 82 82 LEU CB C 82 45.655 45.655 44.085 1.570 18152 352 1 1 . 1 1 82 82 LEU H H 82 8.684 8.684 8.359 0.325 18152 353 1 1 . 1 1 83 83 VAL N N 83 121.834 121.834 124.772 -2.938 18152 354 1 1 . 1 1 83 83 VAL HA H 83 5.269 5.269 5.353 -0.084 18152 355 1 1 . 1 1 83 83 VAL C C 83 174.766 174.766 175.089 -0.323 18152 356 1 1 . 1 1 83 83 VAL CA C 83 61.157 61.157 60.523 0.634 18152 357 1 1 . 1 1 83 83 VAL CB C 83 34.923 34.923 32.622 2.301 18152 358 1 1 . 1 1 83 83 VAL H H 83 8.670 8.670 9.316 -0.646 18152 359 1 1 . 1 1 84 84 LEU N N 84 129.811 129.811 128.955 0.856 18152 360 1 1 . 1 1 84 84 LEU HA H 84 5.647 5.647 5.378 0.269 18152 361 1 1 . 1 1 84 84 LEU C C 84 175.644 175.644 176.214 -0.570 18152 362 1 1 . 1 1 84 84 LEU CA C 84 53.160 53.160 53.400 -0.240 18152 363 1 1 . 1 1 84 84 LEU CB C 84 46.815 46.815 44.409 2.406 18152 364 1 1 . 1 1 84 84 LEU H H 84 10.025 10.025 9.525 0.500 18152 365 1 1 . 1 1 85 85 GLU N N 85 125.273 125.273 124.036 1.237 18152 366 1 1 . 1 1 85 85 GLU HA H 85 5.293 5.293 5.459 -0.166 18152 367 1 1 . 1 1 85 85 GLU C C 85 175.910 175.910 175.478 0.432 18152 368 1 1 . 1 1 85 85 GLU CA C 85 54.716 54.716 55.224 -0.508 18152 369 1 1 . 1 1 85 85 GLU CB C 85 30.904 30.904 31.576 -0.672 18152 370 1 1 . 1 1 85 85 GLU H H 85 9.117 9.117 9.081 0.036 18152 371 1 1 . 1 1 86 86 TYR N N 86 125.299 125.299 126.856 -1.557 18152 372 1 1 . 1 1 86 86 TYR HA H 86 4.825 4.825 4.781 0.044 18152 373 1 1 . 1 1 86 86 TYR C C 86 174.077 174.077 174.875 -0.798 18152 374 1 1 . 1 1 86 86 TYR CA C 86 57.516 57.516 57.574 -0.058 18152 375 1 1 . 1 1 86 86 TYR CB C 86 41.720 41.720 42.495 -0.775 18152 376 1 1 . 1 1 86 86 TYR H H 86 9.056 9.056 9.452 -0.396 18152 377 1 1 . 1 1 87 87 ASP N N 87 131.006 131.006 129.757 1.249 18152 378 1 1 . 1 1 87 87 ASP HA H 87 3.921 3.921 4.330 -0.409 18152 379 1 1 . 1 1 87 87 ASP C C 87 171.773 171.773 175.625 -3.852 18152 380 1 1 . 1 1 87 87 ASP CA C 87 54.613 54.613 55.515 -0.902 18152 381 1 1 . 1 1 87 87 ASP CB C 87 39.659 39.659 39.677 -0.018 18152 382 1 1 . 1 1 87 87 ASP H H 87 9.071 9.071 9.461 -0.390 18152 383 1 1 . 1 1 88 88 ASN N N 88 109.843 109.843 111.945 -2.102 18152 384 1 1 . 1 1 88 88 ASN HA H 88 4.159 4.159 4.386 -0.227 18152 385 1 1 . 1 1 88 88 ASN C C 88 173.995 173.995 173.835 0.160 18152 386 1 1 . 1 1 88 88 ASN CA C 88 54.528 54.528 54.786 -0.258 18152 387 1 1 . 1 1 88 88 ASN CB C 88 37.383 37.383 38.541 -1.158 18152 388 1 1 . 1 1 88 88 ASN H H 88 8.613 8.613 8.824 -0.211 18152 389 1 1 . 1 1 89 89 LYS N N 89 119.021 119.021 118.754 0.267 18152 390 1 1 . 1 1 89 89 LYS HA H 89 4.714 4.714 4.881 -0.167 18152 391 1 1 . 1 1 89 89 LYS C C 89 174.644 174.644 175.597 -0.953 18152 392 1 1 . 1 1 89 89 LYS CA C 89 55.133 55.133 55.401 -0.268 18152 393 1 1 . 1 1 89 89 LYS CB C 89 36.460 36.460 35.876 0.584 18152 394 1 1 . 1 1 89 89 LYS H H 89 7.903 7.903 7.883 0.020 18152 395 1 1 . 1 1 90 90 THR N N 90 117.141 117.141 119.969 -2.828 18152 396 1 1 . 1 1 90 90 THR HA H 90 4.819 4.819 5.426 -0.607 18152 397 1 1 . 1 1 90 90 THR C C 90 172.823 172.823 174.131 -1.308 18152 398 1 1 . 1 1 90 90 THR CA C 90 61.745 61.745 60.895 0.850 18152 399 1 1 . 1 1 90 90 THR CB C 90 69.709 69.709 69.507 0.202 18152 400 1 1 . 1 1 90 90 THR H H 90 8.451 8.451 8.863 -0.412 18152 401 1 1 . 1 1 91 91 TYR N N 91 127.333 127.333 127.621 -0.288 18152 402 1 1 . 1 1 91 91 TYR HA H 91 4.620 4.620 4.709 -0.089 18152 403 1 1 . 1 1 91 91 TYR C C 91 174.313 174.313 175.603 -1.290 18152 404 1 1 . 1 1 91 91 TYR CA C 91 56.764 56.764 57.075 -0.311 18152 405 1 1 . 1 1 91 91 TYR CB C 91 41.054 41.054 40.533 0.521 18152 406 1 1 . 1 1 91 91 TYR H H 91 9.552 9.552 9.987 -0.435 18152 407 1 1 . 1 1 92 92 THR N N 92 117.709 117.709 120.712 -3.003 18152 408 1 1 . 1 1 92 92 THR HA H 92 4.941 4.941 4.708 0.233 18152 409 1 1 . 1 1 92 92 THR C C 92 172.464 172.464 173.396 -0.932 18152 410 1 1 . 1 1 92 92 THR CA C 92 61.320 61.320 61.472 -0.152 18152 411 1 1 . 1 1 92 92 THR CB C 92 69.546 69.546 68.731 0.815 18152 412 1 1 . 1 1 92 92 THR H H 92 8.705 8.705 9.251 -0.546 18152 413 1 1 . 1 1 93 93 TYR N N 93 122.946 122.946 125.507 -2.561 18152 414 1 1 . 1 1 93 93 TYR HA H 93 5.431 5.431 5.453 -0.022 18152 415 1 1 . 1 1 93 93 TYR C C 93 174.846 174.846 175.660 -0.814 18152 416 1 1 . 1 1 93 93 TYR CA C 93 55.804 55.804 56.434 -0.629 18152 417 1 1 . 1 1 93 93 TYR CB C 93 42.627 42.627 42.770 -0.143 18152 418 1 1 . 1 1 93 93 TYR H H 93 9.381 9.381 9.237 0.144 18152 419 1 1 . 1 1 94 94 GLU N N 94 121.240 121.240 120.788 0.452 18152 420 1 1 . 1 1 94 94 GLU HA H 94 4.901 4.901 5.033 -0.132 18152 421 1 1 . 1 1 94 94 GLU C C 94 177.060 177.060 175.569 1.491 18152 422 1 1 . 1 1 94 94 GLU CA C 94 54.073 54.073 54.514 -0.441 18152 423 1 1 . 1 1 94 94 GLU CB C 94 33.787 33.787 34.272 -0.485 18152 424 1 1 . 1 1 94 94 GLU H H 94 9.100 9.100 9.131 -0.031 18152 425 1 1 . 1 1 95 95 ILE N N 95 128.525 128.525 127.277 1.248 18152 426 1 1 . 1 1 95 95 ILE HA H 95 3.737 3.737 4.147 -0.410 18152 427 1 1 . 1 1 95 95 ILE C C 95 176.261 176.261 176.675 -0.414 18152 428 1 1 . 1 1 95 95 ILE CA C 95 64.664 64.664 63.544 1.120 18152 429 1 1 . 1 1 95 95 ILE CB C 95 37.472 37.472 37.255 0.217 18152 430 1 1 . 1 1 95 95 ILE H H 95 9.293 9.293 8.718 0.575 18152 431 1 1 . 1 1 96 96 GLN N N 96 127.221 127.221 127.955 -0.734 18152 432 1 1 . 1 1 96 96 GLN HA H 96 4.831 4.831 4.407 0.424 18152 433 1 1 . 1 1 96 96 GLN C C 96 174.674 174.674 175.955 -1.281 18152 434 1 1 . 1 1 96 96 GLN CA C 96 54.632 54.632 56.995 -2.363 18152 435 1 1 . 1 1 96 96 GLN CB C 96 31.165 31.165 30.511 0.654 18152 436 1 1 . 1 1 96 96 GLN H H 96 10.106 10.106 8.764 1.342 18152 437 1 1 . 1 1 97 97 LYS N N 97 120.717 120.717 118.395 2.322 18152 438 1 1 . 1 1 97 97 LYS HA H 97 4.658 4.658 4.580 0.078 18152 439 1 1 . 1 1 97 97 LYS C C 97 173.200 173.200 174.218 -1.018 18152 440 1 1 . 1 1 97 97 LYS CA C 97 56.528 56.528 55.957 0.571 18152 441 1 1 . 1 1 97 97 LYS CB C 97 36.462 36.462 35.466 0.996 18152 442 1 1 . 1 1 97 97 LYS H H 97 7.958 7.958 7.508 0.450 18152 443 1 1 . 1 1 98 98 ILE N N 98 125.089 125.089 124.166 0.923 18152 444 1 1 . 1 1 98 98 ILE HA H 98 5.221 5.221 4.670 0.551 18152 445 1 1 . 1 1 98 98 ILE C C 98 175.821 175.821 175.887 -0.066 18152 446 1 1 . 1 1 98 98 ILE CA C 98 60.078 60.078 60.282 -0.204 18152 447 1 1 . 1 1 98 98 ILE CB C 98 42.082 42.082 40.074 2.008 18152 448 1 1 . 1 1 98 98 ILE H H 98 8.458 8.458 8.574 -0.116 18152 449 1 1 . 1 1 99 99 TRP N N 99 129.003 129.003 127.518 1.485 18152 450 1 1 . 1 1 99 99 TRP HA H 99 4.661 4.661 4.970 -0.309 18152 451 1 1 . 1 1 99 99 TRP C C 99 170.353 170.353 172.880 -2.527 18152 452 1 1 . 1 1 99 99 TRP CA C 99 56.388 56.388 55.659 0.729 18152 453 1 1 . 1 1 99 99 TRP CB C 99 31.158 31.158 30.594 0.564 18152 454 1 1 . 1 1 99 99 TRP H H 99 9.291 9.291 8.131 1.160 18152 455 1 1 . 1 1 100 100 ILE N N 100 117.739 117.739 119.394 -1.655 18152 456 1 1 . 1 1 100 100 ILE HA H 100 4.616 4.616 4.650 -0.034 18152 457 1 1 . 1 1 100 100 ILE C C 100 176.258 176.258 175.251 1.007 18152 458 1 1 . 1 1 100 100 ILE CA C 100 58.973 58.973 60.168 -1.195 18152 459 1 1 . 1 1 100 100 ILE CB C 100 40.734 40.734 41.088 -0.354 18152 460 1 1 . 1 1 100 100 ILE H H 100 7.778 7.778 8.359 -0.581 18152 461 1 1 . 1 1 101 101 THR N N 101 120.676 120.676 119.989 0.687 18152 462 1 1 . 1 1 101 101 THR HA H 101 4.755 4.755 4.757 -0.002 18152 463 1 1 . 1 1 101 101 THR C C 101 172.069 172.069 172.705 -0.636 18152 464 1 1 . 1 1 101 101 THR CA C 101 57.557 57.557 59.386 -1.829 18152 465 1 1 . 1 1 101 101 THR CB C 101 70.656 70.656 71.328 -0.672 18152 466 1 1 . 1 1 101 101 THR H H 101 8.587 8.587 8.522 0.065 18152 467 1 1 . 1 1 102 102 HIS N N 102 119.885 119.885 120.648 -0.763 18152 468 1 1 . 1 1 102 102 HIS HA H 102 5.401 5.401 4.828 0.573 18152 469 1 1 . 1 1 102 102 HIS C C 102 176.781 176.781 176.921 -0.140 18152 470 1 1 . 1 1 102 102 HIS CA C 102 54.482 54.482 57.264 -2.782 18152 471 1 1 . 1 1 102 102 HIS CB C 102 31.240 31.240 30.724 0.516 18152 472 1 1 . 1 1 102 102 HIS H H 102 8.194 8.194 8.659 -0.465 18152 473 1 1 . 1 1 103 103 ALA N N 103 121.632 121.632 125.199 -3.567 18152 474 1 1 . 1 1 103 103 ALA HA H 103 3.710 3.710 4.137 -0.427 18152 475 1 1 . 1 1 103 103 ALA C C 103 177.587 177.587 177.182 0.405 18152 476 1 1 . 1 1 103 103 ALA CA C 103 54.899 54.899 53.855 1.044 18152 477 1 1 . 1 1 103 103 ALA CB C 103 17.981 17.981 19.162 -1.181 18152 478 1 1 . 1 1 103 103 ALA H H 103 8.405 8.405 8.383 0.022 18152 479 1 1 . 1 1 104 104 ASP N N 104 114.513 114.513 114.924 -0.411 18152 480 1 1 . 1 1 104 104 ASP HA H 104 4.603 4.603 4.585 0.018 18152 481 1 1 . 1 1 104 104 ASP C C 104 175.283 175.283 175.528 -0.245 18152 482 1 1 . 1 1 104 104 ASP CA C 104 53.070 53.070 52.860 0.210 18152 483 1 1 . 1 1 104 104 ASP CB C 104 40.034 40.034 40.647 -0.613 18152 484 1 1 . 1 1 104 104 ASP H H 104 8.314 8.314 8.057 0.257 18152 485 1 1 . 1 1 105 105 ASP N N 105 119.184 119.184 121.409 -2.225 18152 486 1 1 . 1 1 105 105 ASP HA H 105 4.170 4.170 4.655 -0.485 18152 487 1 1 . 1 1 105 105 ASP C C 105 177.674 177.674 176.988 0.686 18152 488 1 1 . 1 1 105 105 ASP CA C 105 54.268 54.268 53.400 0.868 18152 489 1 1 . 1 1 105 105 ASP CB C 105 39.846 39.846 40.936 -1.090 18152 490 1 1 . 1 1 105 105 ASP H H 105 7.043 7.043 7.651 -0.608 18152 491 1 1 . 1 1 106 106 ARG N N 106 127.998 127.998 126.998 1.000 18152 492 1 1 . 1 1 106 106 ARG HA H 106 4.368 4.368 4.125 0.243 18152 493 1 1 . 1 1 106 106 ARG C C 106 177.709 177.709 177.962 -0.253 18152 494 1 1 . 1 1 106 106 ARG CA C 106 55.888 55.888 58.245 -2.357 18152 495 1 1 . 1 1 106 106 ARG CB C 106 29.264 29.264 29.829 -0.565 18152 496 1 1 . 1 1 106 106 ARG H H 106 8.921 8.921 8.125 0.796 18152 497 1 1 . 1 1 107 107 THR N N 107 111.880 111.880 114.858 -2.978 18152 498 1 1 . 1 1 107 107 THR HA H 107 4.139 4.139 4.137 0.002 18152 499 1 1 . 1 1 107 107 THR C C 107 173.548 173.548 175.454 -1.906 18152 500 1 1 . 1 1 107 107 THR CA C 107 62.350 62.350 65.296 -2.946 18152 501 1 1 . 1 1 107 107 THR CB C 107 68.935 68.935 68.460 0.475 18152 502 1 1 . 1 1 107 107 THR H H 107 8.857 8.857 8.105 0.752 18152 503 1 1 . 1 1 108 108 VAL N N 108 118.971 118.971 118.075 0.896 18152 504 1 1 . 1 1 108 108 VAL HA H 108 3.942 3.942 4.284 -0.342 18152 505 1 1 . 1 1 108 108 VAL C C 108 176.853 176.853 175.412 1.441 18152 506 1 1 . 1 1 108 108 VAL CA C 108 63.878 63.878 63.384 0.494 18152 507 1 1 . 1 1 108 108 VAL CB C 108 32.470 32.470 32.276 0.195 18152 508 1 1 . 1 1 108 108 VAL H H 108 6.811 6.811 7.525 -0.714 18152 509 1 1 . 1 1 109 109 ILE N N 109 120.334 120.334 118.945 1.389 18152 510 1 1 . 1 1 109 109 ILE HA H 109 3.438 3.438 4.027 -0.589 18152 511 1 1 . 1 1 109 109 ILE C C 109 173.191 173.191 175.953 -2.762 18152 512 1 1 . 1 1 109 109 ILE CA C 109 60.963 60.963 59.588 1.375 18152 513 1 1 . 1 1 109 109 ILE CB C 109 33.933 33.933 37.147 -3.213 18152 514 1 1 . 1 1 109 109 ILE H H 109 8.053 8.053 7.734 0.319 18152 515 1 1 . 1 1 110 110 ILE N N 110 118.981 118.981 118.343 0.638 18152 516 1 1 . 1 1 110 110 ILE HA H 110 4.542 4.542 4.283 0.259 18152 517 1 1 . 1 1 110 110 ILE C C 110 174.405 174.405 175.031 -0.626 18152 518 1 1 . 1 1 110 110 ILE CA C 110 57.932 57.932 59.158 -1.226 18152 519 1 1 . 1 1 110 110 ILE CB C 110 42.146 42.146 38.385 3.761 18152 520 1 1 . 1 1 110 110 ILE H H 110 6.877 6.877 7.511 -0.634 18152 521 1 1 . 1 1 111 111 LYS N N 111 123.307 123.307 119.324 3.983 18152 522 1 1 . 1 1 111 111 LYS HA H 111 4.609 4.609 4.751 -0.142 18152 523 1 1 . 1 1 111 111 LYS C C 111 176.528 176.528 176.205 0.323 18152 524 1 1 . 1 1 111 111 LYS CA C 111 56.695 56.695 55.229 1.466 18152 525 1 1 . 1 1 111 111 LYS CB C 111 33.092 33.092 33.843 -0.751 18152 526 1 1 . 1 1 111 111 LYS H H 111 8.492 8.492 7.977 0.515 18152 527 1 1 . 1 1 112 112 LYS N N 112 121.425 121.425 123.992 -2.567 18152 528 1 1 . 1 1 112 112 LYS HA H 112 4.706 4.706 4.382 0.324 18152 529 1 1 . 1 1 112 112 LYS C C 112 175.996 175.996 175.728 0.268 18152 530 1 1 . 1 1 112 112 LYS CA C 112 53.271 53.271 54.971 -1.700 18152 531 1 1 . 1 1 112 112 LYS CB C 112 36.089 36.089 34.441 1.648 18152 532 1 1 . 1 1 112 112 LYS H H 112 8.351 8.351 8.826 -0.475 18152 533 1 1 . 1 1 113 113 GLU N N 113 119.533 119.533 124.149 -4.616 18152 534 1 1 . 1 1 113 113 GLU HA H 113 4.372 4.372 4.156 0.216 18152 535 1 1 . 1 1 113 113 GLU C C 113 174.477 174.477 175.678 -1.201 18152 536 1 1 . 1 1 113 113 GLU CA C 113 55.175 55.175 57.172 -1.997 18152 537 1 1 . 1 1 113 113 GLU CB C 113 29.097 29.097 29.801 -0.704 18152 538 1 1 . 1 1 113 113 GLU H H 113 8.815 8.815 8.890 -0.075 18152 539 1 1 . 1 1 114 114 GLU N N 114 117.843 117.843 117.039 0.804 18152 540 1 1 . 1 1 114 114 GLU HA H 114 4.701 4.701 4.683 0.018 18152 541 1 1 . 1 1 114 114 GLU C C 114 172.378 172.378 173.985 -1.607 18152 542 1 1 . 1 1 114 114 GLU CA C 114 52.633 52.633 52.818 -0.185 18152 543 1 1 . 1 1 114 114 GLU CB C 114 30.487 30.487 30.523 -0.036 18152 544 1 1 . 1 1 114 114 GLU H H 114 7.426 7.426 7.643 -0.217 18152 545 1 1 . 1 1 115 115 PRO HA H 115 4.725 4.725 5.022 -0.297 18152 546 1 1 . 1 1 115 115 PRO CA C 115 62.352 62.352 63.010 -0.658 18152 547 1 1 . 1 1 115 115 PRO CB C 115 30.706 30.706 31.131 -0.425 18152 548 1 1 . 1 1 116 116 ILE N N 116 130.464 130.464 123.666 6.798 18152 549 1 1 . 1 1 116 116 ILE HA H 116 4.785 4.785 4.846 -0.061 18152 550 1 1 . 1 1 116 116 ILE C C 116 172.992 172.992 174.460 -1.468 18152 551 1 1 . 1 1 116 116 ILE CA C 116 56.976 56.976 58.667 -1.691 18152 552 1 1 . 1 1 116 116 ILE CB C 116 41.420 41.420 41.047 0.373 18152 553 1 1 . 1 1 116 116 ILE H H 116 7.830 7.830 8.433 -0.603 18152 554 1 1 . 1 1 117 117 LEU N N 117 128.504 128.504 129.771 -1.267 18152 555 1 1 . 1 1 117 117 LEU HA H 117 5.307 5.307 5.139 0.168 18152 556 1 1 . 1 1 117 117 LEU C C 117 174.488 174.488 175.235 -0.747 18152 557 1 1 . 1 1 117 117 LEU CA C 117 52.062 52.062 53.114 -1.052 18152 558 1 1 . 1 1 117 117 LEU CB C 117 45.447 45.447 44.099 1.348 18152 559 1 1 . 1 1 117 117 LEU H H 117 8.838 8.838 8.998 -0.160 18152 560 1 1 . 1 1 118 118 THR N N 118 125.436 125.436 123.653 1.783 18152 561 1 1 . 1 1 118 118 THR HA H 118 5.417 5.417 5.121 0.296 18152 562 1 1 . 1 1 118 118 THR C C 118 173.169 173.169 172.879 0.290 18152 563 1 1 . 1 1 118 118 THR CA C 118 60.596 60.596 61.176 -0.580 18152 564 1 1 . 1 1 118 118 THR CB C 118 68.558 68.558 70.243 -1.685 18152 565 1 1 . 1 1 118 118 THR H H 118 8.938 8.938 9.247 -0.309 18152 566 1 1 . 1 1 119 119 LEU N N 119 128.310 128.310 129.789 -1.479 18152 567 1 1 . 1 1 119 119 LEU HA H 119 5.103 5.103 5.244 -0.141 18152 568 1 1 . 1 1 119 119 LEU C C 119 174.404 174.404 174.838 -0.434 18152 569 1 1 . 1 1 119 119 LEU CA C 119 52.439 52.439 53.376 -0.937 18152 570 1 1 . 1 1 119 119 LEU CB C 119 44.373 44.373 44.710 -0.337 18152 571 1 1 . 1 1 119 119 LEU H H 119 9.280 9.280 9.042 0.238 18152 572 1 1 . 1 1 120 120 THR N N 120 117.635 117.635 121.426 -3.791 18152 573 1 1 . 1 1 120 120 THR HA H 120 5.590 5.590 5.673 -0.083 18152 574 1 1 . 1 1 120 120 THR C C 120 172.735 172.735 174.011 -1.276 18152 575 1 1 . 1 1 120 120 THR CA C 120 57.360 57.360 59.983 -2.623 18152 576 1 1 . 1 1 120 120 THR CB C 120 70.136 70.136 70.245 -0.109 18152 577 1 1 . 1 1 120 120 THR H H 120 8.640 8.640 9.319 -0.679 18152 578 1 1 . 1 1 121 121 THR N N 121 116.149 116.149 121.230 -5.081 18152 579 1 1 . 1 1 121 121 THR HA H 121 4.766 4.766 5.537 -0.771 18152 580 1 1 . 1 1 121 121 THR C C 121 174.145 174.145 173.275 0.870 18152 581 1 1 . 1 1 121 121 THR CA C 121 59.550 59.550 59.684 -0.134 18152 582 1 1 . 1 1 121 121 THR CB C 121 71.701 71.701 71.246 0.455 18152 583 1 1 . 1 1 121 121 THR H H 121 8.374 8.374 8.888 -0.514 18152 584 1 1 . 1 1 123 123 TYR N N 123 121.847 121.847 120.503 1.344 18152 585 1 1 . 1 1 123 123 TYR H H 123 7.461 7.461 8.083 -0.622 18152 586 1 1 . 1 1 125 125 PHE N N 125 120.754 120.754 120.077 0.677 18152 587 1 1 . 1 1 125 125 PHE HA H 125 4.420 4.420 4.260 0.160 18152 588 1 1 . 1 1 125 125 PHE C C 125 176.083 176.083 176.502 -0.419 18152 589 1 1 . 1 1 125 125 PHE CA C 125 58.918 58.918 59.890 -0.972 18152 590 1 1 . 1 1 125 125 PHE CB C 125 38.624 38.624 38.002 0.622 18152 591 1 1 . 1 1 125 125 PHE H H 125 7.334 7.334 8.865 -1.531 18152 592 1 1 . 1 1 126 126 ASP N N 126 114.938 114.938 117.723 -2.785 18152 593 1 1 . 1 1 126 126 ASP HA H 126 4.548 4.548 3.948 0.600 18152 594 1 1 . 1 1 126 126 ASP C C 126 175.285 175.285 175.349 -0.064 18152 595 1 1 . 1 1 126 126 ASP CA C 126 51.974 51.974 55.634 -3.660 18152 596 1 1 . 1 1 126 126 ASP CB C 126 39.454 39.454 40.081 -0.627 18152 597 1 1 . 1 1 126 126 ASP H H 126 8.179 8.179 7.341 0.838 18152 598 1 1 . 1 1 127 127 TYR N N 127 121.170 121.170 118.921 2.249 18152 599 1 1 . 1 1 127 127 TYR HA H 127 3.947 3.947 4.537 -0.590 18152 600 1 1 . 1 1 127 127 TYR C C 127 175.022 175.022 174.537 0.485 18152 601 1 1 . 1 1 127 127 TYR CA C 127 58.734 58.734 57.717 1.017 18152 602 1 1 . 1 1 127 127 TYR CB C 127 39.330 39.330 40.337 -1.007 18152 603 1 1 . 1 1 127 127 TYR H H 127 7.196 7.196 7.215 -0.019 18152 604 1 1 . 1 1 128 128 ILE N N 128 127.293 127.293 126.248 1.045 18152 605 1 1 . 1 1 128 128 ILE HA H 128 4.081 4.081 4.168 -0.087 18152 606 1 1 . 1 1 128 128 ILE C C 128 174.579 174.579 175.837 -1.258 18152 607 1 1 . 1 1 128 128 ILE CA C 128 60.165 60.165 61.002 -0.837 18152 608 1 1 . 1 1 128 128 ILE CB C 128 37.120 37.120 38.836 -1.716 18152 609 1 1 . 1 1 128 128 ILE H H 128 7.634 7.634 7.684 -0.050 18152 610 1 1 . 1 1 129 129 GLY N N 129 114.862 114.862 116.000 -1.138 18152 611 1 1 . 1 1 129 129 GLY C C 129 172.992 172.992 173.498 -0.506 18152 612 1 1 . 1 1 129 129 GLY CA C 129 43.458 43.458 44.763 -1.305 18152 613 1 1 . 1 1 129 129 GLY H H 129 8.150 8.150 8.606 -0.456 18152 614 1 1 . 1 1 130 130 ASP N N 130 122.165 122.165 125.513 -3.348 18152 615 1 1 . 1 1 130 130 ASP HA H 130 4.639 4.639 4.518 0.121 18152 616 1 1 . 1 1 130 130 ASP C C 130 174.579 174.579 175.678 -1.099 18152 617 1 1 . 1 1 130 130 ASP CA C 130 53.344 53.344 53.100 0.244 18152 618 1 1 . 1 1 130 130 ASP CB C 130 39.979 39.979 40.333 -0.354 18152 619 1 1 . 1 1 130 130 ASP H H 130 8.541 8.541 8.538 0.003 18152 620 1 1 . 1 1 131 131 ALA N N 131 129.087 129.087 129.216 -0.129 18152 621 1 1 . 1 1 131 131 ALA HA H 131 3.673 3.673 3.293 0.380 18152 622 1 1 . 1 1 131 131 ALA C C 131 176.791 176.791 176.471 0.320 18152 623 1 1 . 1 1 131 131 ALA CA C 131 50.186 50.186 50.867 -0.681 18152 624 1 1 . 1 1 131 131 ALA CB C 131 17.692 17.692 17.859 -0.167 18152 625 1 1 . 1 1 131 131 ALA H H 131 8.280 8.280 7.637 0.643 18152 626 1 1 . 1 1 133 133 ASP N N 133 117.477 117.477 118.080 -0.603 18152 627 1 1 . 1 1 133 133 ASP HA H 133 5.512 5.512 4.931 0.581 18152 628 1 1 . 1 1 133 133 ASP C C 133 175.988 175.988 175.746 0.242 18152 629 1 1 . 1 1 133 133 ASP CA C 133 53.067 53.067 53.127 -0.060 18152 630 1 1 . 1 1 133 133 ASP CB C 133 45.102 45.102 41.592 3.510 18152 631 1 1 . 1 1 133 133 ASP H H 133 7.355 7.355 7.807 -0.452 18152 632 1 1 . 1 1 134 134 ARG N N 134 120.986 120.986 122.092 -1.106 18152 633 1 1 . 1 1 134 134 ARG HA H 134 4.871 4.871 4.664 0.207 18152 634 1 1 . 1 1 134 134 ARG C C 134 172.288 172.288 175.011 -2.723 18152 635 1 1 . 1 1 134 134 ARG CA C 134 53.958 53.958 54.375 -0.417 18152 636 1 1 . 1 1 134 134 ARG CB C 134 33.787 33.787 31.734 2.053 18152 637 1 1 . 1 1 134 134 ARG H H 134 9.308 9.308 8.850 0.458 18152 638 1 1 . 1 1 135 135 TYR N N 135 127.342 127.342 123.685 3.657 18152 639 1 1 . 1 1 135 135 TYR HA H 135 4.037 4.037 4.417 -0.380 18152 640 1 1 . 1 1 135 135 TYR C C 135 173.811 173.811 174.262 -0.451 18152 641 1 1 . 1 1 135 135 TYR CA C 135 57.419 57.419 59.233 -1.814 18152 642 1 1 . 1 1 135 135 TYR CB C 135 40.515 40.515 39.915 0.600 18152 643 1 1 . 1 1 135 135 TYR H H 135 8.867 8.867 8.908 -0.041 18152 644 1 1 . 1 1 136 136 ILE N N 136 128.458 128.458 126.340 2.118 18152 645 1 1 . 1 1 136 136 ILE HA H 136 4.133 4.133 4.742 -0.609 18152 646 1 1 . 1 1 136 136 ILE C C 136 173.610 173.610 173.995 -0.385 18152 647 1 1 . 1 1 136 136 ILE CA C 136 58.968 58.968 58.529 0.439 18152 648 1 1 . 1 1 136 136 ILE CB C 136 40.998 40.998 39.105 1.893 18152 649 1 1 . 1 1 136 136 ILE H H 136 8.569 8.569 8.382 0.187 18152 650 1 1 . 1 1 137 137 ILE N N 137 123.623 123.623 128.161 -4.538 18152 651 1 1 . 1 1 137 137 ILE HA H 137 4.330 4.330 4.088 0.242 18152 652 1 1 . 1 1 137 137 ILE C C 137 173.524 173.524 173.915 -0.391 18152 653 1 1 . 1 1 137 137 ILE CA C 137 59.873 59.873 59.734 0.139 18152 654 1 1 . 1 1 137 137 ILE CB C 137 40.767 40.767 39.973 0.794 18152 655 1 1 . 1 1 137 137 ILE H H 137 8.263 8.263 8.890 -0.627 18152 656 1 1 . 1 1 138 138 GLU N N 138 127.009 127.009 129.573 -2.564 18152 657 1 1 . 1 1 138 138 GLU HA H 138 5.219 5.219 4.874 0.345 18152 658 1 1 . 1 1 138 138 GLU C C 138 175.383 175.383 174.792 0.591 18152 659 1 1 . 1 1 138 138 GLU CA C 138 54.895 54.895 54.528 0.367 18152 660 1 1 . 1 1 138 138 GLU CB C 138 33.904 33.904 32.487 1.417 18152 661 1 1 . 1 1 138 138 GLU H H 138 9.166 9.166 7.991 1.175 18152 662 1 1 . 1 1 139 139 ALA N N 139 132.785 132.785 127.531 5.254 18152 663 1 1 . 1 1 139 139 ALA HA H 139 5.231 5.231 5.331 -0.100 18152 664 1 1 . 1 1 139 139 ALA C C 139 173.789 173.789 175.102 -1.313 18152 665 1 1 . 1 1 139 139 ALA CA C 139 50.197 50.197 50.770 -0.573 18152 666 1 1 . 1 1 139 139 ALA CB C 139 24.262 24.262 23.303 0.959 18152 667 1 1 . 1 1 139 139 ALA H H 139 10.313 10.313 8.894 1.419 18152 668 1 1 . 1 1 140 140 LYS N N 140 120.672 120.672 121.892 -1.220 18152 669 1 1 . 1 1 140 140 LYS HA H 140 5.062 5.062 5.108 -0.046 18152 670 1 1 . 1 1 140 140 LYS C C 140 175.807 175.807 175.164 0.643 18152 671 1 1 . 1 1 140 140 LYS CA C 140 54.250 54.250 54.156 0.094 18152 672 1 1 . 1 1 140 140 LYS CB C 140 34.937 34.937 36.918 -1.981 18152 673 1 1 . 1 1 140 140 LYS H H 140 8.507 8.507 8.662 -0.155 18152 674 1 1 . 1 1 141 141 LEU N N 141 126.557 126.557 126.173 0.384 18152 675 1 1 . 1 1 141 141 LEU HA H 141 4.107 4.107 4.259 -0.152 18152 676 1 1 . 1 1 141 141 LEU C C 141 177.236 177.236 176.675 0.561 18152 677 1 1 . 1 1 141 141 LEU CA C 141 56.169 56.169 55.333 0.836 18152 678 1 1 . 1 1 141 141 LEU CB C 141 42.408 42.408 42.292 0.116 18152 679 1 1 . 1 1 141 141 LEU H H 141 7.560 7.560 8.314 -0.754 18152 680 1 1 . 1 1 142 142 THR N N 142 119.454 119.454 120.504 -1.050 18152 681 1 1 . 1 1 142 142 THR HA H 142 4.522 4.522 4.499 0.023 18152 682 1 1 . 1 1 142 142 THR C C 142 175.187 175.187 174.451 0.736 18152 683 1 1 . 1 1 142 142 THR CA C 142 60.915 60.915 61.685 -0.770 18152 684 1 1 . 1 1 142 142 THR CB C 142 69.490 69.490 70.131 -0.641 18152 685 1 1 . 1 1 142 142 THR H H 142 9.562 9.562 8.887 0.675 18152 686 1 1 . 1 1 143 143 GLY N N 143 109.946 109.946 109.409 0.537 18152 687 1 1 . 1 1 143 143 GLY C C 143 170.713 170.713 171.905 -1.192 18152 688 1 1 . 1 1 143 143 GLY CA C 143 45.254 45.254 44.394 0.860 18152 689 1 1 . 1 1 143 143 GLY H H 143 7.513 7.513 7.552 -0.039 18152 690 1 1 . 1 1 144 144 SER N N 144 112.778 112.778 114.870 -2.092 18152 691 1 1 . 1 1 144 144 SER HA H 144 5.059 5.059 5.208 -0.149 18152 692 1 1 . 1 1 144 144 SER C C 144 173.178 173.178 172.398 0.780 18152 693 1 1 . 1 1 144 144 SER CA C 144 56.393 56.393 56.574 -0.181 18152 694 1 1 . 1 1 144 144 SER CB C 144 65.587 65.587 66.400 -0.813 18152 695 1 1 . 1 1 144 144 SER H H 144 7.877 7.877 7.920 -0.043 18152 696 1 1 . 1 1 145 145 TYR N N 145 119.351 119.351 120.528 -1.177 18152 697 1 1 . 1 1 145 145 TYR HA H 145 4.755 4.755 4.741 0.014 18152 698 1 1 . 1 1 145 145 TYR C C 145 174.580 174.580 174.733 -0.153 18152 699 1 1 . 1 1 145 145 TYR CA C 145 56.413 56.413 56.733 -0.321 18152 700 1 1 . 1 1 145 145 TYR CB C 145 40.096 40.096 42.903 -2.807 18152 701 1 1 . 1 1 145 145 TYR H H 145 8.374 8.374 9.127 -0.753 18152 702 1 1 . 1 1 146 146 SER N N 146 117.533 117.533 115.004 2.529 18152 703 1 1 . 1 1 146 146 SER HA H 146 4.564 4.564 4.761 -0.197 18152 704 1 1 . 1 1 146 146 SER CA C 146 58.000 58.000 57.252 0.748 18152 705 1 1 . 1 1 146 146 SER CB C 146 63.905 63.905 65.368 -1.464 18152 706 1 1 . 1 1 146 146 SER H H 146 8.502 8.502 8.521 -0.019 18152 707 1 2 . 1 1 7 7 GLN N N 7 122.485 122.485 119.324 3.161 18152 708 1 2 . 1 1 7 7 GLN CA C 7 55.218 55.218 58.572 -3.354 18152 709 1 2 . 1 1 7 7 GLN CB C 7 28.842 28.842 28.610 0.232 18152 710 1 2 . 1 1 7 7 GLN H H 7 8.175 8.175 7.719 0.456 18152 711 1 2 . 1 1 8 8 THR N N 8 115.244 115.244 108.266 6.978 18152 712 1 2 . 1 1 8 8 THR HA H 8 4.189 4.189 3.868 0.321 18152 713 1 2 . 1 1 8 8 THR C C 8 173.961 173.961 173.729 0.232 18152 714 1 2 . 1 1 8 8 THR CA C 8 61.486 61.486 62.920 -1.434 18152 715 1 2 . 1 1 8 8 THR CB C 8 69.316 69.316 68.371 0.945 18152 716 1 2 . 1 1 8 8 THR H H 8 8.027 8.027 8.040 -0.013 18152 717 1 2 . 1 1 9 9 GLU N N 9 123.496 123.496 120.754 2.742 18152 718 1 2 . 1 1 9 9 GLU HA H 9 4.060 4.060 3.774 0.286 18152 719 1 2 . 1 1 9 9 GLU C C 9 175.555 175.555 175.927 -0.372 18152 720 1 2 . 1 1 9 9 GLU CA C 9 55.868 55.868 58.536 -2.668 18152 721 1 2 . 1 1 9 9 GLU CB C 9 29.611 29.611 29.058 0.553 18152 722 1 2 . 1 1 9 9 GLU H H 9 8.225 8.225 8.877 -0.652 18152 723 1 2 . 1 1 10 10 HIS N N 10 119.084 119.084 114.261 4.823 18152 724 1 2 . 1 1 10 10 HIS HA H 10 4.384 4.384 4.928 -0.544 18152 725 1 2 . 1 1 10 10 HIS C C 10 173.742 173.742 173.220 0.522 18152 726 1 2 . 1 1 10 10 HIS CA C 10 53.932 53.932 54.966 -1.034 18152 727 1 2 . 1 1 10 10 HIS CB C 10 28.922 28.922 31.531 -2.609 18152 728 1 2 . 1 1 10 10 HIS H H 10 7.357 7.357 8.191 -0.834 18152 729 1 2 . 1 1 11 11 LYS N N 11 121.509 121.509 118.514 2.995 18152 730 1 2 . 1 1 11 11 LYS HA H 11 4.469 4.469 4.110 0.359 18152 731 1 2 . 1 1 11 11 LYS C C 11 176.210 176.210 174.774 1.436 18152 732 1 2 . 1 1 11 11 LYS CA C 11 54.245 54.245 56.651 -2.406 18152 733 1 2 . 1 1 11 11 LYS CB C 11 33.548 33.548 33.443 0.105 18152 734 1 2 . 1 1 11 11 LYS H H 11 8.409 8.409 8.285 0.124 18152 735 1 2 . 1 1 12 12 GLU N N 12 123.025 123.025 119.414 3.611 18152 736 1 2 . 1 1 12 12 GLU HA H 12 4.240 4.240 4.767 -0.527 18152 737 1 2 . 1 1 12 12 GLU C C 12 178.023 178.023 176.947 1.076 18152 738 1 2 . 1 1 12 12 GLU CA C 12 58.350 58.350 56.325 2.026 18152 739 1 2 . 1 1 12 12 GLU CB C 12 29.254 29.254 30.005 -0.751 18152 740 1 2 . 1 1 12 12 GLU H H 12 8.929 8.929 8.596 0.333 18152 741 1 2 . 1 1 13 13 GLY N N 13 113.216 113.216 110.985 2.231 18152 742 1 2 . 1 1 13 13 GLY C C 13 174.141 174.141 173.673 0.468 18152 743 1 2 . 1 1 13 13 GLY CA C 13 45.243 45.243 45.283 -0.040 18152 744 1 2 . 1 1 13 13 GLY H H 13 9.714 9.714 9.234 0.480 18152 745 1 2 . 1 1 14 14 GLU N N 14 120.782 120.782 119.054 1.728 18152 746 1 2 . 1 1 14 14 GLU HA H 14 4.472 4.472 4.786 -0.314 18152 747 1 2 . 1 1 14 14 GLU C C 14 176.436 176.436 176.180 0.256 18152 748 1 2 . 1 1 14 14 GLU CA C 14 55.641 55.641 53.915 1.726 18152 749 1 2 . 1 1 14 14 GLU CB C 14 30.989 30.989 31.701 -0.712 18152 750 1 2 . 1 1 14 14 GLU H H 14 8.289 8.289 7.752 0.537 18152 751 1 2 . 1 1 15 15 LYS N N 15 125.126 125.126 127.734 -2.608 18152 752 1 2 . 1 1 15 15 LYS HA H 15 4.100 4.100 3.803 0.297 18152 753 1 2 . 1 1 15 15 LYS C C 15 176.970 176.970 176.221 0.749 18152 754 1 2 . 1 1 15 15 LYS CA C 15 57.098 57.098 57.680 -0.582 18152 755 1 2 . 1 1 15 15 LYS CB C 15 31.680 31.680 31.770 -0.090 18152 756 1 2 . 1 1 15 15 LYS H H 15 8.978 8.978 9.105 -0.127 18152 757 1 2 . 1 1 16 16 VAL N N 16 119.214 119.214 122.404 -3.190 18152 758 1 2 . 1 1 16 16 VAL HA H 16 4.572 4.572 4.165 0.407 18152 759 1 2 . 1 1 16 16 VAL C C 16 174.148 174.148 174.420 -0.272 18152 760 1 2 . 1 1 16 16 VAL CA C 16 60.141 60.141 61.875 -1.734 18152 761 1 2 . 1 1 16 16 VAL CB C 16 34.881 34.881 33.247 1.634 18152 762 1 2 . 1 1 16 16 VAL H H 16 8.976 8.976 8.004 0.972 18152 763 1 2 . 1 1 17 17 ALA N N 17 121.368 121.368 120.089 1.279 18152 764 1 2 . 1 1 17 17 ALA HA H 17 5.186 5.186 5.032 0.154 18152 765 1 2 . 1 1 17 17 ALA C C 17 174.664 174.664 175.012 -0.348 18152 766 1 2 . 1 1 17 17 ALA CA C 17 51.098 51.098 49.705 1.393 18152 767 1 2 . 1 1 17 17 ALA CB C 17 22.853 22.853 22.376 0.477 18152 768 1 2 . 1 1 17 17 ALA H H 17 8.069 8.069 7.522 0.547 18152 769 1 2 . 1 1 18 18 MET N N 18 116.475 116.475 119.160 -2.685 18152 770 1 2 . 1 1 18 18 MET HA H 18 5.303 5.303 4.845 0.458 18152 771 1 2 . 1 1 18 18 MET C C 18 174.413 174.413 173.966 0.447 18152 772 1 2 . 1 1 18 18 MET CA C 18 53.607 53.607 54.553 -0.946 18152 773 1 2 . 1 1 18 18 MET CB C 18 35.038 35.038 37.372 -2.334 18152 774 1 2 . 1 1 18 18 MET H H 18 8.142 8.142 8.236 -0.094 18152 775 1 2 . 1 1 19 19 LEU N N 19 126.244 126.244 125.141 1.103 18152 776 1 2 . 1 1 19 19 LEU HA H 19 5.268 5.268 5.380 -0.112 18152 777 1 2 . 1 1 19 19 LEU C C 19 173.617 173.617 174.273 -0.656 18152 778 1 2 . 1 1 19 19 LEU CA C 19 52.851 52.851 53.447 -0.596 18152 779 1 2 . 1 1 19 19 LEU CB C 19 44.705 44.705 45.231 -0.526 18152 780 1 2 . 1 1 19 19 LEU H H 19 9.369 9.369 9.394 -0.025 18152 781 1 2 . 1 1 20 20 ASN N N 20 126.596 126.596 125.553 1.043 18152 782 1 2 . 1 1 20 20 ASN HA H 20 5.340 5.340 5.345 -0.005 18152 783 1 2 . 1 1 20 20 ASN C C 20 174.316 174.316 173.741 0.575 18152 784 1 2 . 1 1 20 20 ASN CA C 20 51.344 51.344 52.379 -1.034 18152 785 1 2 . 1 1 20 20 ASN CB C 20 40.972 40.972 42.270 -1.298 18152 786 1 2 . 1 1 20 20 ASN H H 20 10.032 10.032 9.035 0.997 18152 787 1 2 . 1 1 21 21 ILE N N 21 123.799 123.799 125.648 -1.849 18152 788 1 2 . 1 1 21 21 ILE HA H 21 4.829 4.829 4.878 -0.049 18152 789 1 2 . 1 1 21 21 ILE C C 21 174.409 174.409 175.015 -0.606 18152 790 1 2 . 1 1 21 21 ILE CA C 21 58.243 58.243 58.400 -0.157 18152 791 1 2 . 1 1 21 21 ILE CB C 21 37.477 37.477 38.611 -1.134 18152 792 1 2 . 1 1 21 21 ILE H H 21 8.614 8.614 9.310 -0.696 18152 793 1 2 . 1 1 22 22 PRO HA H 22 4.178 4.178 4.411 -0.233 18152 794 1 2 . 1 1 22 22 PRO CA C 22 65.629 65.629 65.223 0.406 18152 795 1 2 . 1 1 22 22 PRO CB C 22 31.806 31.806 32.104 -0.298 18152 796 1 2 . 1 1 23 23 LYS N N 23 118.170 118.170 118.825 -0.655 18152 797 1 2 . 1 1 23 23 LYS HA H 23 3.943 3.943 4.109 -0.166 18152 798 1 2 . 1 1 23 23 LYS C C 23 177.231 177.231 177.364 -0.133 18152 799 1 2 . 1 1 23 23 LYS CA C 23 58.643 58.643 58.820 -0.177 18152 800 1 2 . 1 1 23 23 LYS CB C 23 33.171 33.171 32.190 0.981 18152 801 1 2 . 1 1 23 23 LYS H H 23 9.365 9.365 8.510 0.855 18152 802 1 2 . 1 1 24 24 LEU N N 24 111.984 111.984 116.860 -4.876 18152 803 1 2 . 1 1 24 24 LEU HA H 24 4.319 4.319 4.455 -0.136 18152 804 1 2 . 1 1 24 24 LEU C C 24 175.562 175.562 176.209 -0.647 18152 805 1 2 . 1 1 24 24 LEU CA C 24 52.965 52.965 54.351 -1.386 18152 806 1 2 . 1 1 24 24 LEU CB C 24 42.473 42.473 41.650 0.823 18152 807 1 2 . 1 1 24 24 LEU H H 24 6.919 6.919 7.987 -1.068 18152 808 1 2 . 1 1 25 25 LYS N N 25 115.814 115.814 115.991 -0.177 18152 809 1 2 . 1 1 25 25 LYS HA H 25 3.849 3.849 4.026 -0.177 18152 810 1 2 . 1 1 25 25 LYS C C 25 175.297 175.297 175.545 -0.248 18152 811 1 2 . 1 1 25 25 LYS CA C 25 56.598 56.598 57.341 -0.743 18152 812 1 2 . 1 1 25 25 LYS CB C 25 28.918 28.918 29.511 -0.593 18152 813 1 2 . 1 1 25 25 LYS H H 25 7.912 7.912 7.555 0.357 18152 814 1 2 . 1 1 26 26 LYS N N 26 115.145 115.145 118.397 -3.252 18152 815 1 2 . 1 1 26 26 LYS HA H 26 4.559 4.559 4.498 0.061 18152 816 1 2 . 1 1 26 26 LYS C C 26 173.961 173.961 174.229 -0.268 18152 817 1 2 . 1 1 26 26 LYS CA C 26 53.788 53.788 54.340 -0.552 18152 818 1 2 . 1 1 26 26 LYS CB C 26 37.483 37.483 37.251 0.232 18152 819 1 2 . 1 1 26 26 LYS H H 26 6.765 6.765 8.457 -1.692 18152 820 1 2 . 1 1 27 27 LYS N N 27 119.758 119.758 118.665 1.093 18152 821 1 2 . 1 1 27 27 LYS HA H 27 5.452 5.452 5.225 0.227 18152 822 1 2 . 1 1 27 27 LYS C C 27 175.482 175.482 175.102 0.380 18152 823 1 2 . 1 1 27 27 LYS CA C 27 53.883 53.883 55.059 -1.176 18152 824 1 2 . 1 1 27 27 LYS CB C 27 35.855 35.855 36.136 -0.281 18152 825 1 2 . 1 1 27 27 LYS H H 27 7.885 7.885 8.005 -0.120 18152 826 1 2 . 1 1 28 28 PHE N N 28 119.077 119.077 120.815 -1.738 18152 827 1 2 . 1 1 28 28 PHE HA H 28 4.871 4.871 4.862 0.009 18152 828 1 2 . 1 1 28 28 PHE C C 28 175.477 175.477 174.287 1.190 18152 829 1 2 . 1 1 28 28 PHE CA C 28 56.100 56.100 57.158 -1.058 18152 830 1 2 . 1 1 28 28 PHE CB C 28 42.734 42.734 44.147 -1.413 18152 831 1 2 . 1 1 28 28 PHE H H 28 9.397 9.397 9.596 -0.199 18152 832 1 2 . 1 1 29 29 SER N N 29 121.189 121.189 118.454 2.735 18152 833 1 2 . 1 1 29 29 SER HA H 29 4.848 4.848 4.578 0.270 18152 834 1 2 . 1 1 29 29 SER C C 29 172.010 172.010 173.184 -1.174 18152 835 1 2 . 1 1 29 29 SER CA C 29 59.961 59.961 58.378 1.583 18152 836 1 2 . 1 1 29 29 SER CB C 29 64.433 64.433 63.931 0.501 18152 837 1 2 . 1 1 29 29 SER H H 29 9.010 9.010 8.785 0.225 18152 838 1 2 . 1 1 30 30 ILE N N 30 120.881 120.881 125.321 -4.440 18152 839 1 2 . 1 1 30 30 ILE HA H 30 4.942 4.942 4.469 0.473 18152 840 1 2 . 1 1 30 30 ILE C C 30 174.874 174.874 174.762 0.112 18152 841 1 2 . 1 1 30 30 ILE CA C 30 57.775 57.775 58.710 -0.935 18152 842 1 2 . 1 1 30 30 ILE CB C 30 38.001 38.001 37.739 0.262 18152 843 1 2 . 1 1 30 30 ILE H H 30 8.084 8.084 8.484 -0.400 18152 844 1 2 . 1 1 31 31 TYR N N 31 127.573 127.573 125.899 1.674 18152 845 1 2 . 1 1 31 31 TYR HA H 31 5.299 5.299 4.885 0.414 18152 846 1 2 . 1 1 31 31 TYR C C 31 174.806 174.806 175.591 -0.785 18152 847 1 2 . 1 1 31 31 TYR CA C 31 56.120 56.120 56.507 -0.387 18152 848 1 2 . 1 1 31 31 TYR CB C 31 41.139 41.139 40.724 0.416 18152 849 1 2 . 1 1 31 31 TYR H H 31 9.174 9.174 8.472 0.702 18152 850 1 2 . 1 1 32 32 TRP N N 32 121.993 121.993 124.877 -2.884 18152 851 1 2 . 1 1 32 32 TRP HA H 32 4.583 4.583 4.409 0.174 18152 852 1 2 . 1 1 32 32 TRP C C 32 175.194 175.194 176.106 -0.912 18152 853 1 2 . 1 1 32 32 TRP CA C 32 57.396 57.396 59.526 -2.131 18152 854 1 2 . 1 1 32 32 TRP CB C 32 29.670 29.670 30.375 -0.705 18152 855 1 2 . 1 1 32 32 TRP H H 32 9.007 9.007 9.094 -0.087 18152 856 1 2 . 1 1 33 33 GLY N N 33 120.470 120.470 114.293 6.177 18152 857 1 2 . 1 1 33 33 GLY C C 33 171.936 171.936 171.972 -0.036 18152 858 1 2 . 1 1 33 33 GLY CA C 33 44.532 44.532 44.195 0.337 18152 859 1 2 . 1 1 33 33 GLY H H 33 7.758 7.758 7.799 -0.041 18152 860 1 2 . 1 1 34 34 ALA N N 34 120.239 120.239 124.382 -4.143 18152 861 1 2 . 1 1 34 34 ALA HA H 34 4.447 4.447 4.473 -0.026 18152 862 1 2 . 1 1 34 34 ALA C C 34 176.174 176.174 176.381 -0.207 18152 863 1 2 . 1 1 34 34 ALA CA C 34 49.913 49.913 51.175 -1.262 18152 864 1 2 . 1 1 34 34 ALA CB C 34 18.955 18.955 19.938 -0.983 18152 865 1 2 . 1 1 34 34 ALA H H 34 7.883 7.883 8.167 -0.284 18152 866 1 2 . 1 1 35 35 ASP N N 35 118.828 118.828 126.177 -7.349 18152 867 1 2 . 1 1 35 35 ASP HA H 35 4.450 4.450 4.665 -0.215 18152 868 1 2 . 1 1 35 35 ASP C C 35 175.990 175.990 176.162 -0.172 18152 869 1 2 . 1 1 35 35 ASP CA C 35 53.030 53.030 53.770 -0.740 18152 870 1 2 . 1 1 35 35 ASP CB C 35 41.508 41.508 41.828 -0.320 18152 871 1 2 . 1 1 35 35 ASP H H 35 7.944 7.944 8.423 -0.479 18152 872 1 2 . 1 1 36 36 ASP N N 36 121.051 121.051 124.099 -3.048 18152 873 1 2 . 1 1 36 36 ASP HA H 36 4.335 4.335 4.343 -0.008 18152 874 1 2 . 1 1 36 36 ASP C C 36 177.296 177.296 176.848 0.448 18152 875 1 2 . 1 1 36 36 ASP CA C 36 55.183 55.183 55.442 -0.259 18152 876 1 2 . 1 1 36 36 ASP CB C 36 39.837 39.837 40.829 -0.992 18152 877 1 2 . 1 1 36 36 ASP H H 36 8.509 8.509 8.665 -0.156 18152 878 1 2 . 1 1 37 37 ALA N N 37 119.568 119.568 120.832 -1.264 18152 879 1 2 . 1 1 37 37 ALA HA H 37 4.060 4.060 4.157 -0.097 18152 880 1 2 . 1 1 37 37 ALA C C 37 179.598 179.598 177.613 1.985 18152 881 1 2 . 1 1 37 37 ALA CA C 37 53.967 53.967 53.612 0.355 18152 882 1 2 . 1 1 37 37 ALA CB C 37 18.009 18.009 19.056 -1.047 18152 883 1 2 . 1 1 37 37 ALA H H 37 8.169 8.169 8.010 0.159 18152 884 1 2 . 1 1 38 38 THR HA H 38 3.850 3.850 4.437 -0.587 18152 885 1 2 . 1 1 38 38 THR CA C 38 68.437 68.437 60.680 7.757 18152 886 1 2 . 1 1 38 38 THR CB C 38 72.916 72.916 70.190 2.726 18152 887 1 2 . 1 1 38 38 THR H H 38 7.621 7.621 7.287 0.334 18152 888 1 2 . 1 1 42 42 GLY N N 42 106.310 106.310 106.754 -0.444 18152 889 1 2 . 1 1 42 42 GLY CA C 42 46.480 46.480 44.926 1.554 18152 890 1 2 . 1 1 43 43 VAL N N 43 121.961 121.961 120.802 1.159 18152 891 1 2 . 1 1 43 43 VAL HA H 43 4.481 4.481 4.748 -0.267 18152 892 1 2 . 1 1 43 43 VAL C C 43 174.308 174.308 175.417 -1.109 18152 893 1 2 . 1 1 43 43 VAL CA C 43 61.079 61.079 61.453 -0.374 18152 894 1 2 . 1 1 43 43 VAL CB C 43 32.911 32.911 30.974 1.937 18152 895 1 2 . 1 1 43 43 VAL H H 43 8.247 8.247 7.521 0.726 18152 896 1 2 . 1 1 44 44 GLY N N 44 114.325 114.325 114.356 -0.031 18152 897 1 2 . 1 1 44 44 GLY C C 44 172.465 172.465 171.622 0.843 18152 898 1 2 . 1 1 44 44 GLY CA C 44 43.458 43.458 43.359 0.099 18152 899 1 2 . 1 1 44 44 GLY H H 44 9.063 9.063 8.340 0.723 18152 900 1 2 . 1 1 45 45 MET N N 45 125.031 125.031 120.074 4.957 18152 901 1 2 . 1 1 45 45 MET HA H 45 4.742 4.742 5.359 -0.617 18152 902 1 2 . 1 1 45 45 MET C C 45 173.873 173.873 174.530 -0.657 18152 903 1 2 . 1 1 45 45 MET CA C 45 54.084 54.084 53.916 0.168 18152 904 1 2 . 1 1 45 45 MET CB C 45 34.548 34.548 36.100 -1.552 18152 905 1 2 . 1 1 45 45 MET H H 45 8.966 8.966 8.921 0.045 18152 906 1 2 . 1 1 46 46 PHE N N 46 127.637 127.637 127.932 -0.295 18152 907 1 2 . 1 1 46 46 PHE HA H 46 3.611 3.611 4.313 -0.702 18152 908 1 2 . 1 1 46 46 PHE C C 46 175.023 175.023 174.158 0.865 18152 909 1 2 . 1 1 46 46 PHE CA C 46 59.286 59.286 58.355 0.931 18152 910 1 2 . 1 1 46 46 PHE CB C 46 40.644 40.644 39.804 0.840 18152 911 1 2 . 1 1 46 46 PHE H H 46 8.790 8.790 8.325 0.465 18152 912 1 2 . 1 1 47 47 VAL N N 47 130.695 130.695 125.692 5.003 18152 913 1 2 . 1 1 47 47 VAL HA H 47 3.663 3.663 4.053 -0.390 18152 914 1 2 . 1 1 47 47 VAL C C 47 174.235 174.235 173.890 0.345 18152 915 1 2 . 1 1 47 47 VAL CA C 47 61.455 61.455 60.338 1.117 18152 916 1 2 . 1 1 47 47 VAL CB C 47 32.002 32.002 33.630 -1.628 18152 917 1 2 . 1 1 47 47 VAL H H 47 7.942 7.942 7.372 0.570 18152 918 1 2 . 1 1 48 48 SER N N 48 120.391 120.391 121.690 -1.299 18152 919 1 2 . 1 1 48 48 SER HA H 48 4.626 4.626 4.521 0.105 18152 920 1 2 . 1 1 48 48 SER C C 48 173.167 173.167 172.576 0.591 18152 921 1 2 . 1 1 48 48 SER CA C 48 57.384 57.384 57.079 0.305 18152 922 1 2 . 1 1 48 48 SER CB C 48 65.720 65.720 65.317 0.403 18152 923 1 2 . 1 1 48 48 SER H H 48 7.971 7.971 8.375 -0.404 18152 924 1 2 . 1 1 49 49 ASP N N 49 117.498 117.498 120.599 -3.101 18152 925 1 2 . 1 1 49 49 ASP HA H 49 4.603 4.603 4.570 0.033 18152 926 1 2 . 1 1 49 49 ASP C C 49 174.539 174.539 176.584 -2.045 18152 927 1 2 . 1 1 49 49 ASP CA C 49 55.222 55.222 56.089 -0.867 18152 928 1 2 . 1 1 49 49 ASP CB C 49 40.206 40.206 40.961 -0.755 18152 929 1 2 . 1 1 49 49 ASP H H 49 8.701 8.701 8.673 0.028 18152 930 1 2 . 1 1 50 50 VAL N N 50 109.465 109.465 112.687 -3.222 18152 931 1 2 . 1 1 50 50 VAL HA H 50 4.455 4.455 4.350 0.105 18152 932 1 2 . 1 1 50 50 VAL C C 50 174.487 174.487 175.601 -1.114 18152 933 1 2 . 1 1 50 50 VAL CA C 50 60.840 60.840 62.449 -1.609 18152 934 1 2 . 1 1 50 50 VAL CB C 50 32.067 32.067 32.988 -0.921 18152 935 1 2 . 1 1 50 50 VAL H H 50 7.770 7.770 7.783 -0.013 18152 936 1 2 . 1 1 51 51 THR N N 51 110.572 110.572 113.749 -3.177 18152 937 1 2 . 1 1 51 51 THR HA H 51 5.293 5.293 4.479 0.814 18152 938 1 2 . 1 1 51 51 THR C C 51 174.591 174.591 174.629 -0.038 18152 939 1 2 . 1 1 51 51 THR CA C 51 58.487 58.487 61.632 -3.145 18152 940 1 2 . 1 1 51 51 THR CB C 51 71.674 71.674 69.797 1.877 18152 941 1 2 . 1 1 51 51 THR H H 51 7.095 7.095 7.386 -0.291 18152 942 1 2 . 1 1 52 52 THR N N 52 109.706 109.706 118.017 -8.311 18152 943 1 2 . 1 1 52 52 THR HA H 52 4.988 4.988 4.901 0.087 18152 944 1 2 . 1 1 52 52 THR C C 52 177.060 177.060 173.123 3.937 18152 945 1 2 . 1 1 52 52 THR CA C 52 59.777 59.777 60.588 -0.811 18152 946 1 2 . 1 1 52 52 THR CB C 52 72.911 72.911 71.694 1.217 18152 947 1 2 . 1 1 52 52 THR H H 52 8.836 8.836 9.060 -0.224 18152 948 1 2 . 1 1 53 53 THR N N 53 113.970 113.970 115.348 -1.378 18152 949 1 2 . 1 1 53 53 THR HA H 53 4.601 4.601 5.108 -0.507 18152 950 1 2 . 1 1 53 53 THR C C 53 176.085 176.085 173.330 2.755 18152 951 1 2 . 1 1 53 53 THR CA C 53 60.920 60.920 57.912 3.008 18152 952 1 2 . 1 1 53 53 THR CB C 53 67.192 67.192 70.078 -2.886 18152 953 1 2 . 1 1 53 53 THR H H 53 8.857 8.857 8.296 0.561 18152 954 1 2 . 1 1 54 54 PRO HA H 54 4.023 4.023 4.488 -0.465 18152 955 1 2 . 1 1 54 54 PRO CA C 54 64.658 64.658 62.769 1.889 18152 956 1 2 . 1 1 54 54 PRO CB C 54 29.665 29.665 30.325 -0.660 18152 957 1 2 . 1 1 55 55 SER N N 55 105.932 105.932 116.771 -10.839 18152 958 1 2 . 1 1 55 55 SER HA H 55 4.448 4.448 4.343 0.105 18152 959 1 2 . 1 1 55 55 SER C C 55 176.253 176.253 174.010 2.243 18152 960 1 2 . 1 1 55 55 SER CA C 55 58.086 58.086 57.804 0.282 18152 961 1 2 . 1 1 55 55 SER CB C 55 62.950 62.950 64.314 -1.364 18152 962 1 2 . 1 1 55 55 SER H H 55 6.879 6.879 7.853 -0.974 18152 963 1 2 . 1 1 56 56 GLY N N 56 109.826 109.826 109.359 0.467 18152 964 1 2 . 1 1 56 56 GLY C C 56 175.832 175.832 174.413 1.419 18152 965 1 2 . 1 1 56 56 GLY CA C 56 45.213 45.213 45.386 -0.173 18152 966 1 2 . 1 1 56 56 GLY H H 56 7.733 7.733 7.412 0.321 18152 967 1 2 . 1 1 57 57 GLY N N 57 105.805 105.805 111.164 -5.359 18152 968 1 2 . 1 1 57 57 GLY C C 57 172.905 172.905 173.462 -0.557 18152 969 1 2 . 1 1 57 57 GLY CA C 57 46.480 46.480 45.608 0.871 18152 970 1 2 . 1 1 57 57 GLY H H 57 7.481 7.481 8.665 -1.184 18152 971 1 2 . 1 1 58 58 GLY N N 58 109.086 109.086 109.513 -0.427 18152 972 1 2 . 1 1 58 58 GLY C C 58 172.807 172.807 172.763 0.044 18152 973 1 2 . 1 1 58 58 GLY CA C 58 43.642 43.642 44.246 -0.604 18152 974 1 2 . 1 1 58 58 GLY H H 58 7.549 7.549 7.915 -0.366 18152 975 1 2 . 1 1 59 59 HIS N N 59 127.776 127.776 122.466 5.310 18152 976 1 2 . 1 1 59 59 HIS HA H 59 5.162 5.162 4.756 0.406 18152 977 1 2 . 1 1 59 59 HIS C C 59 174.930 174.930 174.327 0.603 18152 978 1 2 . 1 1 59 59 HIS CA C 59 52.820 52.820 55.459 -2.639 18152 979 1 2 . 1 1 59 59 HIS CB C 59 30.250 30.250 30.193 0.057 18152 980 1 2 . 1 1 59 59 HIS H H 59 9.517 9.517 8.831 0.686 18152 981 1 2 . 1 1 60 60 THR N N 60 127.768 127.768 125.476 2.292 18152 982 1 2 . 1 1 60 60 THR HA H 60 4.870 4.870 5.061 -0.191 18152 983 1 2 . 1 1 60 60 THR C C 60 171.847 171.847 173.261 -1.414 18152 984 1 2 . 1 1 60 60 THR CA C 60 61.358 61.358 61.511 -0.153 18152 985 1 2 . 1 1 60 60 THR CB C 60 69.821 69.821 69.747 0.074 18152 986 1 2 . 1 1 60 60 THR H H 60 9.769 9.769 9.242 0.527 18152 987 1 2 . 1 1 61 61 VAL N N 61 126.493 126.493 126.891 -0.398 18152 988 1 2 . 1 1 61 61 VAL HA H 61 4.641 4.641 4.851 -0.210 18152 989 1 2 . 1 1 61 61 VAL C C 61 173.794 173.794 174.575 -0.781 18152 990 1 2 . 1 1 61 61 VAL CA C 61 59.808 59.808 60.739 -0.931 18152 991 1 2 . 1 1 61 61 VAL CB C 61 33.334 33.334 33.810 -0.476 18152 992 1 2 . 1 1 61 61 VAL H H 61 8.534 8.534 8.750 -0.216 18152 993 1 2 . 1 1 62 62 LEU N N 62 126.342 126.342 128.289 -1.947 18152 994 1 2 . 1 1 62 62 LEU HA H 62 5.345 5.345 5.188 0.157 18152 995 1 2 . 1 1 62 62 LEU C C 62 175.554 175.554 175.432 0.122 18152 996 1 2 . 1 1 62 62 LEU CA C 62 51.143 51.143 53.181 -2.038 18152 997 1 2 . 1 1 62 62 LEU CB C 62 43.344 43.344 45.020 -1.676 18152 998 1 2 . 1 1 62 62 LEU H H 62 9.284 9.284 9.473 -0.189 18152 999 1 2 . 1 1 63 63 SER N N 63 116.370 116.370 116.811 -0.441 18152 1000 1 2 . 1 1 63 63 SER HA H 63 5.328 5.328 5.554 -0.226 18152 1001 1 2 . 1 1 63 63 SER C C 63 174.576 174.576 173.383 1.193 18152 1002 1 2 . 1 1 63 63 SER CA C 63 54.893 54.893 56.378 -1.485 18152 1003 1 2 . 1 1 63 63 SER CB C 63 64.901 64.901 65.275 -0.374 18152 1004 1 2 . 1 1 63 63 SER H H 63 9.117 9.117 9.074 0.043 18152 1005 1 2 . 1 1 64 64 GLY N N 64 111.783 111.783 114.197 -2.414 18152 1006 1 2 . 1 1 64 64 GLY C C 64 173.058 173.058 172.483 0.575 18152 1007 1 2 . 1 1 64 64 GLY CA C 64 45.547 45.547 45.173 0.374 18152 1008 1 2 . 1 1 64 64 GLY H H 64 8.723 8.723 8.707 0.016 18152 1009 1 2 . 1 1 74 74 GLY C C 74 173.703 173.703 175.414 -1.711 18152 1010 1 2 . 1 1 74 74 GLY CA C 74 45.507 45.507 45.987 -0.480 18152 1011 1 2 . 1 1 75 75 GLN N N 75 116.093 116.093 118.366 -2.273 18152 1012 1 2 . 1 1 75 75 GLN HA H 75 4.229 4.229 4.299 -0.070 18152 1013 1 2 . 1 1 75 75 GLN C C 75 177.319 177.319 176.476 0.843 18152 1014 1 2 . 1 1 75 75 GLN CA C 75 56.016 56.016 57.874 -1.858 18152 1015 1 2 . 1 1 75 75 GLN CB C 75 29.310 29.310 29.639 -0.329 18152 1016 1 2 . 1 1 75 75 GLN H H 75 7.598 7.598 7.851 -0.253 18152 1017 1 2 . 1 1 76 76 LEU N N 76 117.894 117.894 116.966 0.928 18152 1018 1 2 . 1 1 76 76 LEU HA H 76 4.373 4.373 4.655 -0.282 18152 1019 1 2 . 1 1 76 76 LEU C C 76 175.639 175.639 174.824 0.815 18152 1020 1 2 . 1 1 76 76 LEU CA C 76 54.578 54.578 54.504 0.074 18152 1021 1 2 . 1 1 76 76 LEU CB C 76 41.720 41.720 41.773 -0.053 18152 1022 1 2 . 1 1 76 76 LEU H H 76 7.285 7.285 7.696 -0.411 18152 1023 1 2 . 1 1 77 77 LYS N N 77 122.287 122.287 119.629 2.658 18152 1024 1 2 . 1 1 77 77 LYS HA H 77 4.545 4.545 4.310 0.235 18152 1025 1 2 . 1 1 77 77 LYS C C 77 175.553 175.553 176.032 -0.479 18152 1026 1 2 . 1 1 77 77 LYS CA C 77 53.336 53.336 56.333 -2.997 18152 1027 1 2 . 1 1 77 77 LYS CB C 77 36.380 36.380 34.136 2.244 18152 1028 1 2 . 1 1 77 77 LYS H H 77 9.513 9.513 7.640 1.873 18152 1029 1 2 . 1 1 78 78 GLU N N 78 118.949 118.949 120.728 -1.779 18152 1030 1 2 . 1 1 78 78 GLU HA H 78 3.523 3.523 4.426 -0.903 18152 1031 1 2 . 1 1 78 78 GLU C C 78 177.053 177.053 177.061 -0.008 18152 1032 1 2 . 1 1 78 78 GLU CA C 78 59.205 59.205 59.022 0.183 18152 1033 1 2 . 1 1 78 78 GLU CB C 78 28.284 28.284 29.605 -1.321 18152 1034 1 2 . 1 1 78 78 GLU H H 78 8.900 8.900 8.972 -0.072 18152 1035 1 2 . 1 1 79 79 LYS N N 79 114.843 114.843 115.616 -0.773 18152 1036 1 2 . 1 1 79 79 LYS HA H 79 3.751 3.751 4.318 -0.567 18152 1037 1 2 . 1 1 79 79 LYS C C 79 176.434 176.434 176.089 0.345 18152 1038 1 2 . 1 1 79 79 LYS CA C 79 59.231 59.231 57.066 2.165 18152 1039 1 2 . 1 1 79 79 LYS CB C 79 29.657 29.657 32.531 -2.874 18152 1040 1 2 . 1 1 79 79 LYS H H 79 8.909 8.909 8.024 0.885 18152 1041 1 2 . 1 1 80 80 ASP N N 80 119.664 119.664 120.493 -0.829 18152 1042 1 2 . 1 1 80 80 ASP HA H 80 4.946 4.946 4.570 0.376 18152 1043 1 2 . 1 1 80 80 ASP C C 80 175.886 175.886 174.840 1.046 18152 1044 1 2 . 1 1 80 80 ASP CA C 80 55.661 55.661 55.791 -0.130 18152 1045 1 2 . 1 1 80 80 ASP CB C 80 41.782 41.782 42.001 -0.219 18152 1046 1 2 . 1 1 80 80 ASP H H 80 8.052 8.052 7.549 0.503 18152 1047 1 2 . 1 1 81 81 THR N N 81 111.597 111.597 113.508 -1.911 18152 1048 1 2 . 1 1 81 81 THR HA H 81 5.321 5.321 4.935 0.386 18152 1049 1 2 . 1 1 81 81 THR C C 81 174.221 174.221 173.158 1.063 18152 1050 1 2 . 1 1 81 81 THR CA C 81 61.103 61.103 61.523 -0.420 18152 1051 1 2 . 1 1 81 81 THR CB C 81 71.264 71.264 70.916 0.348 18152 1052 1 2 . 1 1 81 81 THR H H 81 8.083 8.083 8.354 -0.271 18152 1053 1 2 . 1 1 82 82 LEU N N 82 120.358 120.358 126.420 -6.062 18152 1054 1 2 . 1 1 82 82 LEU HA H 82 4.836 4.836 4.702 0.134 18152 1055 1 2 . 1 1 82 82 LEU C C 82 174.850 174.850 175.812 -0.962 18152 1056 1 2 . 1 1 82 82 LEU CA C 82 53.721 53.721 54.087 -0.366 18152 1057 1 2 . 1 1 82 82 LEU CB C 82 45.655 45.655 43.031 2.624 18152 1058 1 2 . 1 1 82 82 LEU H H 82 8.684 8.684 8.586 0.098 18152 1059 1 2 . 1 1 83 83 VAL N N 83 121.834 121.834 123.051 -1.217 18152 1060 1 2 . 1 1 83 83 VAL HA H 83 5.269 5.269 5.405 -0.136 18152 1061 1 2 . 1 1 83 83 VAL C C 83 174.766 174.766 175.265 -0.499 18152 1062 1 2 . 1 1 83 83 VAL CA C 83 61.157 61.157 60.897 0.260 18152 1063 1 2 . 1 1 83 83 VAL CB C 83 34.923 34.923 33.730 1.193 18152 1064 1 2 . 1 1 83 83 VAL H H 83 8.670 8.670 8.558 0.112 18152 1065 1 2 . 1 1 84 84 LEU N N 84 129.811 129.811 128.725 1.086 18152 1066 1 2 . 1 1 84 84 LEU HA H 84 5.647 5.647 5.222 0.425 18152 1067 1 2 . 1 1 84 84 LEU C C 84 175.644 175.644 176.120 -0.476 18152 1068 1 2 . 1 1 84 84 LEU CA C 84 53.160 53.160 53.613 -0.453 18152 1069 1 2 . 1 1 84 84 LEU CB C 84 46.815 46.815 44.668 2.147 18152 1070 1 2 . 1 1 84 84 LEU H H 84 10.025 10.025 9.452 0.573 18152 1071 1 2 . 1 1 85 85 GLU N N 85 125.273 125.273 124.076 1.197 18152 1072 1 2 . 1 1 85 85 GLU HA H 85 5.293 5.293 5.538 -0.245 18152 1073 1 2 . 1 1 85 85 GLU C C 85 175.910 175.910 175.574 0.336 18152 1074 1 2 . 1 1 85 85 GLU CA C 85 54.716 54.716 55.067 -0.351 18152 1075 1 2 . 1 1 85 85 GLU CB C 85 30.904 30.904 31.188 -0.284 18152 1076 1 2 . 1 1 85 85 GLU H H 85 9.117 9.117 8.966 0.151 18152 1077 1 2 . 1 1 86 86 TYR N N 86 125.299 125.299 125.943 -0.644 18152 1078 1 2 . 1 1 86 86 TYR HA H 86 4.825 4.825 4.796 0.029 18152 1079 1 2 . 1 1 86 86 TYR C C 86 174.077 174.077 174.877 -0.800 18152 1080 1 2 . 1 1 86 86 TYR CA C 86 57.516 57.516 58.228 -0.712 18152 1081 1 2 . 1 1 86 86 TYR CB C 86 41.720 41.720 42.603 -0.883 18152 1082 1 2 . 1 1 86 86 TYR H H 86 9.056 9.056 9.262 -0.206 18152 1083 1 2 . 1 1 87 87 ASP N N 87 131.006 131.006 127.781 3.225 18152 1084 1 2 . 1 1 87 87 ASP HA H 87 3.921 3.921 4.369 -0.448 18152 1085 1 2 . 1 1 87 87 ASP C C 87 171.773 171.773 175.556 -3.783 18152 1086 1 2 . 1 1 87 87 ASP CA C 87 54.613 54.613 54.868 -0.255 18152 1087 1 2 . 1 1 87 87 ASP CB C 87 39.659 39.659 40.127 -0.468 18152 1088 1 2 . 1 1 87 87 ASP H H 87 9.071 9.071 9.065 0.006 18152 1089 1 2 . 1 1 88 88 ASN N N 88 109.843 109.843 110.369 -0.526 18152 1090 1 2 . 1 1 88 88 ASN HA H 88 4.159 4.159 4.317 -0.158 18152 1091 1 2 . 1 1 88 88 ASN C C 88 173.995 173.995 173.960 0.035 18152 1092 1 2 . 1 1 88 88 ASN CA C 88 54.528 54.528 54.951 -0.423 18152 1093 1 2 . 1 1 88 88 ASN CB C 88 37.383 37.383 38.303 -0.920 18152 1094 1 2 . 1 1 88 88 ASN H H 88 8.613 8.613 8.755 -0.142 18152 1095 1 2 . 1 1 89 89 LYS N N 89 119.021 119.021 118.486 0.535 18152 1096 1 2 . 1 1 89 89 LYS HA H 89 4.714 4.714 4.816 -0.102 18152 1097 1 2 . 1 1 89 89 LYS C C 89 174.644 174.644 175.425 -0.781 18152 1098 1 2 . 1 1 89 89 LYS CA C 89 55.133 55.133 55.313 -0.180 18152 1099 1 2 . 1 1 89 89 LYS CB C 89 36.460 36.460 36.120 0.340 18152 1100 1 2 . 1 1 89 89 LYS H H 89 7.903 7.903 7.770 0.133 18152 1101 1 2 . 1 1 90 90 THR N N 90 117.141 117.141 118.380 -1.239 18152 1102 1 2 . 1 1 90 90 THR HA H 90 4.819 4.819 5.397 -0.578 18152 1103 1 2 . 1 1 90 90 THR C C 90 172.823 172.823 173.826 -1.003 18152 1104 1 2 . 1 1 90 90 THR CA C 90 61.745 61.745 61.192 0.553 18152 1105 1 2 . 1 1 90 90 THR CB C 90 69.709 69.709 70.157 -0.448 18152 1106 1 2 . 1 1 90 90 THR H H 90 8.451 8.451 8.947 -0.496 18152 1107 1 2 . 1 1 91 91 TYR N N 91 127.333 127.333 126.531 0.802 18152 1108 1 2 . 1 1 91 91 TYR HA H 91 4.620 4.620 4.761 -0.141 18152 1109 1 2 . 1 1 91 91 TYR C C 91 174.313 174.313 175.693 -1.380 18152 1110 1 2 . 1 1 91 91 TYR CA C 91 56.764 56.764 56.995 -0.231 18152 1111 1 2 . 1 1 91 91 TYR CB C 91 41.054 41.054 40.992 0.062 18152 1112 1 2 . 1 1 91 91 TYR H H 91 9.552 9.552 9.811 -0.259 18152 1113 1 2 . 1 1 92 92 THR N N 92 117.709 117.709 119.908 -2.199 18152 1114 1 2 . 1 1 92 92 THR HA H 92 4.941 4.941 4.797 0.144 18152 1115 1 2 . 1 1 92 92 THR C C 92 172.464 172.464 173.481 -1.017 18152 1116 1 2 . 1 1 92 92 THR CA C 92 61.320 61.320 62.259 -0.939 18152 1117 1 2 . 1 1 92 92 THR CB C 92 69.546 69.546 69.439 0.107 18152 1118 1 2 . 1 1 92 92 THR H H 92 8.705 8.705 9.019 -0.314 18152 1119 1 2 . 1 1 93 93 TYR N N 93 122.946 122.946 126.173 -3.227 18152 1120 1 2 . 1 1 93 93 TYR HA H 93 5.431 5.431 5.464 -0.033 18152 1121 1 2 . 1 1 93 93 TYR C C 93 174.846 174.846 175.346 -0.500 18152 1122 1 2 . 1 1 93 93 TYR CA C 93 55.804 55.804 56.649 -0.845 18152 1123 1 2 . 1 1 93 93 TYR CB C 93 42.627 42.627 42.826 -0.199 18152 1124 1 2 . 1 1 93 93 TYR H H 93 9.381 9.381 9.633 -0.252 18152 1125 1 2 . 1 1 94 94 GLU N N 94 121.240 121.240 121.070 0.170 18152 1126 1 2 . 1 1 94 94 GLU HA H 94 4.901 4.901 5.046 -0.145 18152 1127 1 2 . 1 1 94 94 GLU C C 94 177.060 177.060 175.692 1.368 18152 1128 1 2 . 1 1 94 94 GLU CA C 94 54.073 54.073 53.868 0.205 18152 1129 1 2 . 1 1 94 94 GLU CB C 94 33.787 33.787 34.211 -0.424 18152 1130 1 2 . 1 1 94 94 GLU H H 94 9.100 9.100 9.310 -0.210 18152 1131 1 2 . 1 1 95 95 ILE N N 95 128.525 128.525 127.009 1.516 18152 1132 1 2 . 1 1 95 95 ILE HA H 95 3.737 3.737 4.273 -0.536 18152 1133 1 2 . 1 1 95 95 ILE C C 95 176.261 176.261 176.897 -0.636 18152 1134 1 2 . 1 1 95 95 ILE CA C 95 64.664 64.664 62.533 2.131 18152 1135 1 2 . 1 1 95 95 ILE CB C 95 37.472 37.472 36.207 1.265 18152 1136 1 2 . 1 1 95 95 ILE H H 95 9.293 9.293 8.408 0.885 18152 1137 1 2 . 1 1 96 96 GLN N N 96 127.221 127.221 128.863 -1.642 18152 1138 1 2 . 1 1 96 96 GLN HA H 96 4.831 4.831 4.478 0.353 18152 1139 1 2 . 1 1 96 96 GLN C C 96 174.674 174.674 176.225 -1.551 18152 1140 1 2 . 1 1 96 96 GLN CA C 96 54.632 54.632 56.758 -2.126 18152 1141 1 2 . 1 1 96 96 GLN CB C 96 31.165 31.165 30.364 0.801 18152 1142 1 2 . 1 1 96 96 GLN H H 96 10.106 10.106 8.549 1.557 18152 1143 1 2 . 1 1 97 97 LYS N N 97 120.717 120.717 118.783 1.934 18152 1144 1 2 . 1 1 97 97 LYS HA H 97 4.658 4.658 4.662 -0.004 18152 1145 1 2 . 1 1 97 97 LYS C C 97 173.200 173.200 173.957 -0.757 18152 1146 1 2 . 1 1 97 97 LYS CA C 97 56.528 56.528 56.322 0.206 18152 1147 1 2 . 1 1 97 97 LYS CB C 97 36.462 36.462 35.095 1.367 18152 1148 1 2 . 1 1 97 97 LYS H H 97 7.958 7.958 7.651 0.307 18152 1149 1 2 . 1 1 98 98 ILE N N 98 125.089 125.089 124.108 0.981 18152 1150 1 2 . 1 1 98 98 ILE HA H 98 5.221 5.221 4.812 0.409 18152 1151 1 2 . 1 1 98 98 ILE C C 98 175.821 175.821 175.556 0.265 18152 1152 1 2 . 1 1 98 98 ILE CA C 98 60.078 60.078 59.979 0.099 18152 1153 1 2 . 1 1 98 98 ILE CB C 98 42.082 42.082 40.116 1.966 18152 1154 1 2 . 1 1 98 98 ILE H H 98 8.458 8.458 8.611 -0.153 18152 1155 1 2 . 1 1 99 99 TRP N N 99 129.003 129.003 124.584 4.419 18152 1156 1 2 . 1 1 99 99 TRP HA H 99 4.661 4.661 4.996 -0.335 18152 1157 1 2 . 1 1 99 99 TRP C C 99 170.353 170.353 172.927 -2.574 18152 1158 1 2 . 1 1 99 99 TRP CA C 99 56.388 56.388 55.891 0.497 18152 1159 1 2 . 1 1 99 99 TRP CB C 99 31.158 31.158 30.703 0.455 18152 1160 1 2 . 1 1 99 99 TRP H H 99 9.291 9.291 7.986 1.305 18152 1161 1 2 . 1 1 100 100 ILE N N 100 117.739 117.739 120.977 -3.238 18152 1162 1 2 . 1 1 100 100 ILE HA H 100 4.616 4.616 4.821 -0.205 18152 1163 1 2 . 1 1 100 100 ILE C C 100 176.258 176.258 175.348 0.910 18152 1164 1 2 . 1 1 100 100 ILE CA C 100 58.973 58.973 60.095 -1.122 18152 1165 1 2 . 1 1 100 100 ILE CB C 100 40.734 40.734 41.026 -0.292 18152 1166 1 2 . 1 1 100 100 ILE H H 100 7.778 7.778 8.316 -0.538 18152 1167 1 2 . 1 1 101 101 THR N N 101 120.676 120.676 119.322 1.354 18152 1168 1 2 . 1 1 101 101 THR HA H 101 4.755 4.755 4.710 0.045 18152 1169 1 2 . 1 1 101 101 THR C C 101 172.069 172.069 172.559 -0.490 18152 1170 1 2 . 1 1 101 101 THR CA C 101 57.557 57.557 59.662 -2.105 18152 1171 1 2 . 1 1 101 101 THR CB C 101 70.656 70.656 71.200 -0.544 18152 1172 1 2 . 1 1 101 101 THR H H 101 8.587 8.587 8.761 -0.174 18152 1173 1 2 . 1 1 102 102 HIS N N 102 119.885 119.885 120.416 -0.531 18152 1174 1 2 . 1 1 102 102 HIS HA H 102 5.401 5.401 4.555 0.846 18152 1175 1 2 . 1 1 102 102 HIS C C 102 176.781 176.781 176.656 0.125 18152 1176 1 2 . 1 1 102 102 HIS CA C 102 54.482 54.482 57.420 -2.938 18152 1177 1 2 . 1 1 102 102 HIS CB C 102 31.240 31.240 31.113 0.127 18152 1178 1 2 . 1 1 102 102 HIS H H 102 8.194 8.194 8.726 -0.532 18152 1179 1 2 . 1 1 103 103 ALA N N 103 121.632 121.632 127.348 -5.716 18152 1180 1 2 . 1 1 103 103 ALA HA H 103 3.710 3.710 4.019 -0.309 18152 1181 1 2 . 1 1 103 103 ALA C C 103 177.587 177.587 177.822 -0.235 18152 1182 1 2 . 1 1 103 103 ALA CA C 103 54.899 54.899 54.104 0.795 18152 1183 1 2 . 1 1 103 103 ALA CB C 103 17.981 17.981 18.815 -0.834 18152 1184 1 2 . 1 1 103 103 ALA H H 103 8.405 8.405 9.229 -0.824 18152 1185 1 2 . 1 1 104 104 ASP N N 104 114.513 114.513 116.340 -1.827 18152 1186 1 2 . 1 1 104 104 ASP HA H 104 4.603 4.603 4.661 -0.058 18152 1187 1 2 . 1 1 104 104 ASP C C 104 175.283 175.283 175.374 -0.091 18152 1188 1 2 . 1 1 104 104 ASP CA C 104 53.070 53.070 54.575 -1.506 18152 1189 1 2 . 1 1 104 104 ASP CB C 104 40.034 40.034 41.007 -0.973 18152 1190 1 2 . 1 1 104 104 ASP H H 104 8.314 8.314 8.226 0.088 18152 1191 1 2 . 1 1 105 105 ASP N N 105 119.184 119.184 121.466 -2.282 18152 1192 1 2 . 1 1 105 105 ASP HA H 105 4.170 4.170 4.680 -0.510 18152 1193 1 2 . 1 1 105 105 ASP C C 105 177.674 177.674 177.013 0.661 18152 1194 1 2 . 1 1 105 105 ASP CA C 105 54.268 54.268 53.217 1.051 18152 1195 1 2 . 1 1 105 105 ASP CB C 105 39.846 39.846 40.523 -0.677 18152 1196 1 2 . 1 1 105 105 ASP H H 105 7.043 7.043 7.833 -0.790 18152 1197 1 2 . 1 1 106 106 ARG N N 106 127.998 127.998 126.931 1.067 18152 1198 1 2 . 1 1 106 106 ARG HA H 106 4.368 4.368 4.049 0.319 18152 1199 1 2 . 1 1 106 106 ARG C C 106 177.709 177.709 177.749 -0.040 18152 1200 1 2 . 1 1 106 106 ARG CA C 106 55.888 55.888 59.201 -3.313 18152 1201 1 2 . 1 1 106 106 ARG CB C 106 29.264 29.264 29.621 -0.357 18152 1202 1 2 . 1 1 106 106 ARG H H 106 8.921 8.921 7.963 0.958 18152 1203 1 2 . 1 1 107 107 THR N N 107 111.880 111.880 112.194 -0.314 18152 1204 1 2 . 1 1 107 107 THR HA H 107 4.139 4.139 4.038 0.101 18152 1205 1 2 . 1 1 107 107 THR C C 107 173.548 173.548 175.495 -1.947 18152 1206 1 2 . 1 1 107 107 THR CA C 107 62.350 62.350 65.179 -2.829 18152 1207 1 2 . 1 1 107 107 THR CB C 107 68.935 68.935 68.258 0.677 18152 1208 1 2 . 1 1 107 107 THR H H 107 8.857 8.857 8.274 0.583 18152 1209 1 2 . 1 1 108 108 VAL N N 108 118.971 118.971 116.630 2.341 18152 1210 1 2 . 1 1 108 108 VAL HA H 108 3.942 3.942 4.233 -0.291 18152 1211 1 2 . 1 1 108 108 VAL C C 108 176.853 176.853 175.536 1.317 18152 1212 1 2 . 1 1 108 108 VAL CA C 108 63.878 63.878 63.198 0.680 18152 1213 1 2 . 1 1 108 108 VAL CB C 108 32.470 32.470 32.907 -0.438 18152 1214 1 2 . 1 1 108 108 VAL H H 108 6.811 6.811 7.516 -0.705 18152 1215 1 2 . 1 1 109 109 ILE N N 109 120.334 120.334 118.507 1.827 18152 1216 1 2 . 1 1 109 109 ILE HA H 109 3.438 3.438 4.310 -0.872 18152 1217 1 2 . 1 1 109 109 ILE C C 109 173.191 173.191 176.788 -3.597 18152 1218 1 2 . 1 1 109 109 ILE CA C 109 60.963 60.963 60.289 0.674 18152 1219 1 2 . 1 1 109 109 ILE CB C 109 33.933 33.933 37.299 -3.366 18152 1220 1 2 . 1 1 109 109 ILE H H 109 8.053 8.053 8.184 -0.131 18152 1221 1 2 . 1 1 110 110 ILE N N 110 118.981 118.981 119.492 -0.511 18152 1222 1 2 . 1 1 110 110 ILE HA H 110 4.542 4.542 4.462 0.080 18152 1223 1 2 . 1 1 110 110 ILE C C 110 174.405 174.405 175.240 -0.835 18152 1224 1 2 . 1 1 110 110 ILE CA C 110 57.932 57.932 59.209 -1.277 18152 1225 1 2 . 1 1 110 110 ILE CB C 110 42.146 42.146 38.129 4.018 18152 1226 1 2 . 1 1 110 110 ILE H H 110 6.877 6.877 7.761 -0.884 18152 1227 1 2 . 1 1 111 111 LYS N N 111 123.307 123.307 120.106 3.201 18152 1228 1 2 . 1 1 111 111 LYS HA H 111 4.609 4.609 4.549 0.060 18152 1229 1 2 . 1 1 111 111 LYS C C 111 176.528 176.528 176.416 0.112 18152 1230 1 2 . 1 1 111 111 LYS CA C 111 56.695 56.695 56.422 0.273 18152 1231 1 2 . 1 1 111 111 LYS CB C 111 33.092 33.092 33.268 -0.176 18152 1232 1 2 . 1 1 111 111 LYS H H 111 8.492 8.492 8.162 0.330 18152 1233 1 2 . 1 1 112 112 LYS N N 112 121.425 121.425 124.602 -3.177 18152 1234 1 2 . 1 1 112 112 LYS HA H 112 4.706 4.706 4.327 0.379 18152 1235 1 2 . 1 1 112 112 LYS C C 112 175.996 175.996 176.579 -0.583 18152 1236 1 2 . 1 1 112 112 LYS CA C 112 53.271 53.271 55.239 -1.968 18152 1237 1 2 . 1 1 112 112 LYS CB C 112 36.089 36.089 33.957 2.132 18152 1238 1 2 . 1 1 112 112 LYS H H 112 8.351 8.351 8.598 -0.247 18152 1239 1 2 . 1 1 113 113 GLU N N 113 119.533 119.533 123.041 -3.508 18152 1240 1 2 . 1 1 113 113 GLU HA H 113 4.372 4.372 4.225 0.147 18152 1241 1 2 . 1 1 113 113 GLU C C 113 174.477 174.477 175.781 -1.304 18152 1242 1 2 . 1 1 113 113 GLU CA C 113 55.175 55.175 56.896 -1.721 18152 1243 1 2 . 1 1 113 113 GLU CB C 113 29.097 29.097 29.705 -0.608 18152 1244 1 2 . 1 1 113 113 GLU H H 113 8.815 8.815 8.759 0.056 18152 1245 1 2 . 1 1 114 114 GLU N N 114 117.843 117.843 117.683 0.160 18152 1246 1 2 . 1 1 114 114 GLU HA H 114 4.701 4.701 4.583 0.118 18152 1247 1 2 . 1 1 114 114 GLU C C 114 172.378 172.378 173.591 -1.213 18152 1248 1 2 . 1 1 114 114 GLU CA C 114 52.633 52.633 53.409 -0.776 18152 1249 1 2 . 1 1 114 114 GLU CB C 114 30.487 30.487 30.287 0.200 18152 1250 1 2 . 1 1 114 114 GLU H H 114 7.426 7.426 7.591 -0.165 18152 1251 1 2 . 1 1 115 115 PRO HA H 115 4.725 4.725 4.921 -0.196 18152 1252 1 2 . 1 1 115 115 PRO CA C 115 62.352 62.352 63.025 -0.673 18152 1253 1 2 . 1 1 115 115 PRO CB C 115 30.706 30.706 31.523 -0.817 18152 1254 1 2 . 1 1 116 116 ILE N N 116 130.464 130.464 124.134 6.330 18152 1255 1 2 . 1 1 116 116 ILE HA H 116 4.785 4.785 4.988 -0.203 18152 1256 1 2 . 1 1 116 116 ILE C C 116 172.992 172.992 174.310 -1.318 18152 1257 1 2 . 1 1 116 116 ILE CA C 116 56.976 56.976 58.956 -1.980 18152 1258 1 2 . 1 1 116 116 ILE CB C 116 41.420 41.420 42.250 -0.830 18152 1259 1 2 . 1 1 116 116 ILE H H 116 7.830 7.830 8.309 -0.479 18152 1260 1 2 . 1 1 117 117 LEU N N 117 128.504 128.504 128.825 -0.321 18152 1261 1 2 . 1 1 117 117 LEU HA H 117 5.307 5.307 5.128 0.179 18152 1262 1 2 . 1 1 117 117 LEU C C 117 174.488 174.488 174.984 -0.496 18152 1263 1 2 . 1 1 117 117 LEU CA C 117 52.062 52.062 53.076 -1.014 18152 1264 1 2 . 1 1 117 117 LEU CB C 117 45.447 45.447 44.356 1.091 18152 1265 1 2 . 1 1 117 117 LEU H H 117 8.838 8.838 9.070 -0.232 18152 1266 1 2 . 1 1 118 118 THR N N 118 125.436 125.436 123.346 2.090 18152 1267 1 2 . 1 1 118 118 THR HA H 118 5.417 5.417 5.012 0.405 18152 1268 1 2 . 1 1 118 118 THR C C 118 173.169 173.169 172.619 0.550 18152 1269 1 2 . 1 1 118 118 THR CA C 118 60.596 60.596 61.815 -1.219 18152 1270 1 2 . 1 1 118 118 THR CB C 118 68.558 68.558 70.820 -2.262 18152 1271 1 2 . 1 1 118 118 THR H H 118 8.938 8.938 9.044 -0.106 18152 1272 1 2 . 1 1 119 119 LEU N N 119 128.310 128.310 130.100 -1.790 18152 1273 1 2 . 1 1 119 119 LEU HA H 119 5.103 5.103 5.097 0.006 18152 1274 1 2 . 1 1 119 119 LEU C C 119 174.404 174.404 174.628 -0.224 18152 1275 1 2 . 1 1 119 119 LEU CA C 119 52.439 52.439 53.331 -0.892 18152 1276 1 2 . 1 1 119 119 LEU CB C 119 44.373 44.373 45.274 -0.901 18152 1277 1 2 . 1 1 119 119 LEU H H 119 9.280 9.280 8.851 0.429 18152 1278 1 2 . 1 1 120 120 THR N N 120 117.635 117.635 121.243 -3.608 18152 1279 1 2 . 1 1 120 120 THR HA H 120 5.590 5.590 5.589 0.001 18152 1280 1 2 . 1 1 120 120 THR C C 120 172.735 172.735 174.032 -1.297 18152 1281 1 2 . 1 1 120 120 THR CA C 120 57.360 57.360 60.135 -2.775 18152 1282 1 2 . 1 1 120 120 THR CB C 120 70.136 70.136 70.059 0.076 18152 1283 1 2 . 1 1 120 120 THR H H 120 8.640 8.640 9.140 -0.500 18152 1284 1 2 . 1 1 121 121 THR N N 121 116.149 116.149 122.768 -6.619 18152 1285 1 2 . 1 1 121 121 THR HA H 121 4.766 4.766 5.148 -0.382 18152 1286 1 2 . 1 1 121 121 THR C C 121 174.145 174.145 174.003 0.142 18152 1287 1 2 . 1 1 121 121 THR CA C 121 59.550 59.550 60.200 -0.650 18152 1288 1 2 . 1 1 121 121 THR CB C 121 71.701 71.701 71.451 0.250 18152 1289 1 2 . 1 1 121 121 THR H H 121 8.374 8.374 8.552 -0.178 18152 1290 1 2 . 1 1 123 123 TYR N N 123 121.847 121.847 117.599 4.248 18152 1291 1 2 . 1 1 123 123 TYR H H 123 7.461 7.461 7.648 -0.187 18152 1292 1 2 . 1 1 125 125 PHE N N 125 120.754 120.754 116.442 4.312 18152 1293 1 2 . 1 1 125 125 PHE HA H 125 4.420 4.420 4.268 0.152 18152 1294 1 2 . 1 1 125 125 PHE C C 125 176.083 176.083 176.139 -0.056 18152 1295 1 2 . 1 1 125 125 PHE CA C 125 58.918 58.918 59.590 -0.673 18152 1296 1 2 . 1 1 125 125 PHE CB C 125 38.624 38.624 38.152 0.472 18152 1297 1 2 . 1 1 125 125 PHE H H 125 7.334 7.334 8.548 -1.214 18152 1298 1 2 . 1 1 126 126 ASP N N 126 114.938 114.938 119.987 -5.049 18152 1299 1 2 . 1 1 126 126 ASP HA H 126 4.548 4.548 3.792 0.756 18152 1300 1 2 . 1 1 126 126 ASP C C 126 175.285 175.285 175.745 -0.460 18152 1301 1 2 . 1 1 126 126 ASP CA C 126 51.974 51.974 54.401 -2.427 18152 1302 1 2 . 1 1 126 126 ASP CB C 126 39.454 39.454 40.748 -1.294 18152 1303 1 2 . 1 1 126 126 ASP H H 126 8.179 8.179 7.217 0.962 18152 1304 1 2 . 1 1 127 127 TYR N N 127 121.170 121.170 120.517 0.653 18152 1305 1 2 . 1 1 127 127 TYR HA H 127 3.947 3.947 4.235 -0.288 18152 1306 1 2 . 1 1 127 127 TYR C C 127 175.022 175.022 175.659 -0.637 18152 1307 1 2 . 1 1 127 127 TYR CA C 127 58.734 58.734 58.552 0.182 18152 1308 1 2 . 1 1 127 127 TYR CB C 127 39.330 39.330 39.432 -0.102 18152 1309 1 2 . 1 1 127 127 TYR H H 127 7.196 7.196 7.878 -0.682 18152 1310 1 2 . 1 1 128 128 ILE N N 128 127.293 127.293 125.110 2.183 18152 1311 1 2 . 1 1 128 128 ILE HA H 128 4.081 4.081 3.801 0.280 18152 1312 1 2 . 1 1 128 128 ILE C C 128 174.579 174.579 175.506 -0.927 18152 1313 1 2 . 1 1 128 128 ILE CA C 128 60.165 60.165 60.221 -0.056 18152 1314 1 2 . 1 1 128 128 ILE CB C 128 37.120 37.120 36.412 0.708 18152 1315 1 2 . 1 1 128 128 ILE H H 128 7.634 7.634 7.732 -0.098 18152 1316 1 2 . 1 1 129 129 GLY N N 129 114.862 114.862 117.181 -2.319 18152 1317 1 2 . 1 1 129 129 GLY C C 129 172.992 172.992 173.312 -0.320 18152 1318 1 2 . 1 1 129 129 GLY CA C 129 43.458 43.458 44.650 -1.192 18152 1319 1 2 . 1 1 129 129 GLY H H 129 8.150 8.150 8.351 -0.201 18152 1320 1 2 . 1 1 130 130 ASP N N 130 122.165 122.165 123.221 -1.056 18152 1321 1 2 . 1 1 130 130 ASP HA H 130 4.639 4.639 4.902 -0.263 18152 1322 1 2 . 1 1 130 130 ASP C C 130 174.579 174.579 174.753 -0.174 18152 1323 1 2 . 1 1 130 130 ASP CA C 130 53.344 53.344 53.987 -0.643 18152 1324 1 2 . 1 1 130 130 ASP CB C 130 39.979 39.979 41.462 -1.483 18152 1325 1 2 . 1 1 130 130 ASP H H 130 8.541 8.541 8.761 -0.220 18152 1326 1 2 . 1 1 131 131 ALA N N 131 129.087 129.087 126.553 2.534 18152 1327 1 2 . 1 1 131 131 ALA HA H 131 3.673 3.673 4.774 -1.101 18152 1328 1 2 . 1 1 131 131 ALA C C 131 176.791 176.791 175.240 1.551 18152 1329 1 2 . 1 1 131 131 ALA CA C 131 50.186 50.186 49.497 0.689 18152 1330 1 2 . 1 1 131 131 ALA CB C 131 17.692 17.692 19.002 -1.310 18152 1331 1 2 . 1 1 131 131 ALA H H 131 8.280 8.280 8.156 0.124 18152 1332 1 2 . 1 1 133 133 ASP N N 133 117.477 117.477 115.341 2.136 18152 1333 1 2 . 1 1 133 133 ASP HA H 133 5.512 5.512 4.456 1.056 18152 1334 1 2 . 1 1 133 133 ASP C C 133 175.988 175.988 175.047 0.941 18152 1335 1 2 . 1 1 133 133 ASP CA C 133 53.067 53.067 53.075 -0.008 18152 1336 1 2 . 1 1 133 133 ASP CB C 133 45.102 45.102 43.378 1.724 18152 1337 1 2 . 1 1 133 133 ASP H H 133 7.355 7.355 7.711 -0.356 18152 1338 1 2 . 1 1 134 134 ARG N N 134 120.986 120.986 118.809 2.177 18152 1339 1 2 . 1 1 134 134 ARG HA H 134 4.871 4.871 4.716 0.155 18152 1340 1 2 . 1 1 134 134 ARG C C 134 172.288 172.288 175.912 -3.624 18152 1341 1 2 . 1 1 134 134 ARG CA C 134 53.958 53.958 53.941 0.017 18152 1342 1 2 . 1 1 134 134 ARG CB C 134 33.787 33.787 31.784 2.003 18152 1343 1 2 . 1 1 134 134 ARG H H 134 9.308 9.308 9.046 0.262 18152 1344 1 2 . 1 1 135 135 TYR N N 135 127.342 127.342 124.758 2.584 18152 1345 1 2 . 1 1 135 135 TYR HA H 135 4.037 4.037 4.285 -0.248 18152 1346 1 2 . 1 1 135 135 TYR C C 135 173.811 173.811 174.709 -0.898 18152 1347 1 2 . 1 1 135 135 TYR CA C 135 57.419 57.419 59.414 -1.995 18152 1348 1 2 . 1 1 135 135 TYR CB C 135 40.515 40.515 39.218 1.297 18152 1349 1 2 . 1 1 135 135 TYR H H 135 8.867 8.867 8.287 0.580 18152 1350 1 2 . 1 1 136 136 ILE N N 136 128.458 128.458 127.807 0.651 18152 1351 1 2 . 1 1 136 136 ILE HA H 136 4.133 4.133 4.552 -0.419 18152 1352 1 2 . 1 1 136 136 ILE C C 136 173.610 173.610 174.135 -0.525 18152 1353 1 2 . 1 1 136 136 ILE CA C 136 58.968 58.968 58.712 0.255 18152 1354 1 2 . 1 1 136 136 ILE CB C 136 40.998 40.998 37.593 3.405 18152 1355 1 2 . 1 1 136 136 ILE H H 136 8.569 8.569 8.443 0.126 18152 1356 1 2 . 1 1 137 137 ILE N N 137 123.623 123.623 129.130 -5.507 18152 1357 1 2 . 1 1 137 137 ILE HA H 137 4.330 4.330 4.039 0.291 18152 1358 1 2 . 1 1 137 137 ILE C C 137 173.524 173.524 173.789 -0.265 18152 1359 1 2 . 1 1 137 137 ILE CA C 137 59.873 59.873 59.721 0.152 18152 1360 1 2 . 1 1 137 137 ILE CB C 137 40.767 40.767 39.615 1.152 18152 1361 1 2 . 1 1 137 137 ILE H H 137 8.263 8.263 8.682 -0.419 18152 1362 1 2 . 1 1 138 138 GLU N N 138 127.009 127.009 129.769 -2.760 18152 1363 1 2 . 1 1 138 138 GLU HA H 138 5.219 5.219 4.945 0.274 18152 1364 1 2 . 1 1 138 138 GLU C C 138 175.383 175.383 174.777 0.606 18152 1365 1 2 . 1 1 138 138 GLU CA C 138 54.895 54.895 54.664 0.231 18152 1366 1 2 . 1 1 138 138 GLU CB C 138 33.904 33.904 32.690 1.214 18152 1367 1 2 . 1 1 138 138 GLU H H 138 9.166 9.166 8.042 1.124 18152 1368 1 2 . 1 1 139 139 ALA N N 139 132.785 132.785 127.812 4.973 18152 1369 1 2 . 1 1 139 139 ALA HA H 139 5.231 5.231 5.361 -0.130 18152 1370 1 2 . 1 1 139 139 ALA C C 139 173.789 173.789 175.015 -1.226 18152 1371 1 2 . 1 1 139 139 ALA CA C 139 50.197 50.197 51.066 -0.869 18152 1372 1 2 . 1 1 139 139 ALA CB C 139 24.262 24.262 23.314 0.947 18152 1373 1 2 . 1 1 139 139 ALA H H 139 10.313 10.313 8.688 1.625 18152 1374 1 2 . 1 1 140 140 LYS N N 140 120.672 120.672 123.877 -3.205 18152 1375 1 2 . 1 1 140 140 LYS HA H 140 5.062 5.062 5.141 -0.079 18152 1376 1 2 . 1 1 140 140 LYS C C 140 175.807 175.807 175.276 0.531 18152 1377 1 2 . 1 1 140 140 LYS CA C 140 54.250 54.250 54.026 0.224 18152 1378 1 2 . 1 1 140 140 LYS CB C 140 34.937 34.937 36.695 -1.758 18152 1379 1 2 . 1 1 140 140 LYS H H 140 8.507 8.507 8.782 -0.275 18152 1380 1 2 . 1 1 141 141 LEU N N 141 126.557 126.557 127.788 -1.231 18152 1381 1 2 . 1 1 141 141 LEU HA H 141 4.107 4.107 3.884 0.223 18152 1382 1 2 . 1 1 141 141 LEU C C 141 177.236 177.236 176.721 0.515 18152 1383 1 2 . 1 1 141 141 LEU CA C 141 56.169 56.169 55.582 0.587 18152 1384 1 2 . 1 1 141 141 LEU CB C 141 42.408 42.408 42.218 0.190 18152 1385 1 2 . 1 1 141 141 LEU H H 141 7.560 7.560 8.338 -0.778 18152 1386 1 2 . 1 1 142 142 THR N N 142 119.454 119.454 120.935 -1.481 18152 1387 1 2 . 1 1 142 142 THR HA H 142 4.522 4.522 4.449 0.073 18152 1388 1 2 . 1 1 142 142 THR C C 142 175.187 175.187 174.717 0.470 18152 1389 1 2 . 1 1 142 142 THR CA C 142 60.915 60.915 61.893 -0.978 18152 1390 1 2 . 1 1 142 142 THR CB C 142 69.490 69.490 70.632 -1.142 18152 1391 1 2 . 1 1 142 142 THR H H 142 9.562 9.562 8.995 0.567 18152 1392 1 2 . 1 1 143 143 GLY N N 143 109.946 109.946 109.748 0.198 18152 1393 1 2 . 1 1 143 143 GLY C C 143 170.713 170.713 171.917 -1.204 18152 1394 1 2 . 1 1 143 143 GLY CA C 143 45.254 45.254 43.976 1.278 18152 1395 1 2 . 1 1 143 143 GLY H H 143 7.513 7.513 7.543 -0.030 18152 1396 1 2 . 1 1 144 144 SER N N 144 112.778 112.778 112.833 -0.055 18152 1397 1 2 . 1 1 144 144 SER HA H 144 5.059 5.059 5.034 0.025 18152 1398 1 2 . 1 1 144 144 SER C C 144 173.178 173.178 172.107 1.071 18152 1399 1 2 . 1 1 144 144 SER CA C 144 56.393 56.393 56.820 -0.427 18152 1400 1 2 . 1 1 144 144 SER CB C 144 65.587 65.587 66.086 -0.499 18152 1401 1 2 . 1 1 144 144 SER H H 144 7.877 7.877 7.861 0.016 18152 1402 1 2 . 1 1 145 145 TYR N N 145 119.351 119.351 118.754 0.597 18152 1403 1 2 . 1 1 145 145 TYR HA H 145 4.755 4.755 4.715 0.040 18152 1404 1 2 . 1 1 145 145 TYR C C 145 174.580 174.580 174.038 0.542 18152 1405 1 2 . 1 1 145 145 TYR CA C 145 56.413 56.413 56.915 -0.502 18152 1406 1 2 . 1 1 145 145 TYR CB C 145 40.096 40.096 43.519 -3.423 18152 1407 1 2 . 1 1 145 145 TYR H H 145 8.374 8.374 8.742 -0.368 18152 1408 1 2 . 1 1 146 146 SER N N 146 117.533 117.533 115.623 1.910 18152 1409 1 2 . 1 1 146 146 SER HA H 146 4.564 4.564 4.791 -0.227 18152 1410 1 2 . 1 1 146 146 SER CA C 146 58.000 58.000 56.886 1.113 18152 1411 1 2 . 1 1 146 146 SER CB C 146 63.905 63.905 65.710 -1.804 18152 1412 1 2 . 1 1 146 146 SER H H 146 8.502 8.502 8.553 -0.051 18152 1413 1 3 . 1 1 7 7 GLN N N 7 122.485 122.485 122.824 -0.339 18152 1414 1 3 . 1 1 7 7 GLN CA C 7 55.218 55.218 56.497 -1.279 18152 1415 1 3 . 1 1 7 7 GLN CB C 7 28.842 28.842 28.811 0.031 18152 1416 1 3 . 1 1 7 7 GLN H H 7 8.175 8.175 8.313 -0.138 18152 1417 1 3 . 1 1 8 8 THR N N 8 115.244 115.244 113.103 2.141 18152 1418 1 3 . 1 1 8 8 THR HA H 8 4.189 4.189 4.620 -0.431 18152 1419 1 3 . 1 1 8 8 THR C C 8 173.961 173.961 173.668 0.293 18152 1420 1 3 . 1 1 8 8 THR CA C 8 61.486 61.486 61.067 0.419 18152 1421 1 3 . 1 1 8 8 THR CB C 8 69.316 69.316 70.655 -1.339 18152 1422 1 3 . 1 1 8 8 THR H H 8 8.027 8.027 7.828 0.199 18152 1423 1 3 . 1 1 9 9 GLU N N 9 123.496 123.496 122.112 1.384 18152 1424 1 3 . 1 1 9 9 GLU HA H 9 4.060 4.060 4.349 -0.289 18152 1425 1 3 . 1 1 9 9 GLU C C 9 175.555 175.555 175.287 0.268 18152 1426 1 3 . 1 1 9 9 GLU CA C 9 55.868 55.868 56.261 -0.393 18152 1427 1 3 . 1 1 9 9 GLU CB C 9 29.611 29.611 32.264 -2.652 18152 1428 1 3 . 1 1 9 9 GLU H H 9 8.225 8.225 8.237 -0.012 18152 1429 1 3 . 1 1 10 10 HIS N N 10 119.084 119.084 115.922 3.162 18152 1430 1 3 . 1 1 10 10 HIS HA H 10 4.384 4.384 3.594 0.790 18152 1431 1 3 . 1 1 10 10 HIS C C 10 173.742 173.742 174.416 -0.674 18152 1432 1 3 . 1 1 10 10 HIS CA C 10 53.932 53.932 57.767 -3.835 18152 1433 1 3 . 1 1 10 10 HIS CB C 10 28.922 28.922 28.649 0.273 18152 1434 1 3 . 1 1 10 10 HIS H H 10 7.357 7.357 8.156 -0.799 18152 1435 1 3 . 1 1 11 11 LYS N N 11 121.509 121.509 118.649 2.860 18152 1436 1 3 . 1 1 11 11 LYS HA H 11 4.469 4.469 4.266 0.203 18152 1437 1 3 . 1 1 11 11 LYS C C 11 176.210 176.210 177.045 -0.835 18152 1438 1 3 . 1 1 11 11 LYS CA C 11 54.245 54.245 57.013 -2.768 18152 1439 1 3 . 1 1 11 11 LYS CB C 11 33.548 33.548 33.083 0.465 18152 1440 1 3 . 1 1 11 11 LYS H H 11 8.409 8.409 7.838 0.571 18152 1441 1 3 . 1 1 12 12 GLU N N 12 123.025 123.025 120.197 2.828 18152 1442 1 3 . 1 1 12 12 GLU HA H 12 4.240 4.240 4.682 -0.442 18152 1443 1 3 . 1 1 12 12 GLU C C 12 178.023 178.023 176.541 1.482 18152 1444 1 3 . 1 1 12 12 GLU CA C 12 58.350 58.350 56.651 1.699 18152 1445 1 3 . 1 1 12 12 GLU CB C 12 29.254 29.254 30.535 -1.281 18152 1446 1 3 . 1 1 12 12 GLU H H 12 8.929 8.929 8.501 0.428 18152 1447 1 3 . 1 1 13 13 GLY N N 13 113.216 113.216 114.528 -1.312 18152 1448 1 3 . 1 1 13 13 GLY C C 13 174.141 174.141 173.707 0.434 18152 1449 1 3 . 1 1 13 13 GLY CA C 13 45.243 45.243 45.120 0.123 18152 1450 1 3 . 1 1 13 13 GLY H H 13 9.714 9.714 9.054 0.660 18152 1451 1 3 . 1 1 14 14 GLU N N 14 120.782 120.782 120.155 0.627 18152 1452 1 3 . 1 1 14 14 GLU HA H 14 4.472 4.472 4.820 -0.348 18152 1453 1 3 . 1 1 14 14 GLU C C 14 176.436 176.436 175.754 0.682 18152 1454 1 3 . 1 1 14 14 GLU CA C 14 55.641 55.641 53.975 1.666 18152 1455 1 3 . 1 1 14 14 GLU CB C 14 30.989 30.989 31.022 -0.033 18152 1456 1 3 . 1 1 14 14 GLU H H 14 8.289 8.289 7.939 0.350 18152 1457 1 3 . 1 1 15 15 LYS N N 15 125.126 125.126 124.963 0.163 18152 1458 1 3 . 1 1 15 15 LYS HA H 15 4.100 4.100 3.709 0.391 18152 1459 1 3 . 1 1 15 15 LYS C C 15 176.970 176.970 176.575 0.395 18152 1460 1 3 . 1 1 15 15 LYS CA C 15 57.098 57.098 57.288 -0.189 18152 1461 1 3 . 1 1 15 15 LYS CB C 15 31.680 31.680 31.960 -0.280 18152 1462 1 3 . 1 1 15 15 LYS H H 15 8.978 8.978 8.911 0.067 18152 1463 1 3 . 1 1 16 16 VAL N N 16 119.214 119.214 120.427 -1.213 18152 1464 1 3 . 1 1 16 16 VAL HA H 16 4.572 4.572 4.212 0.360 18152 1465 1 3 . 1 1 16 16 VAL C C 16 174.148 174.148 174.258 -0.110 18152 1466 1 3 . 1 1 16 16 VAL CA C 16 60.141 60.141 61.203 -1.062 18152 1467 1 3 . 1 1 16 16 VAL CB C 16 34.881 34.881 33.173 1.708 18152 1468 1 3 . 1 1 16 16 VAL H H 16 8.976 8.976 8.395 0.581 18152 1469 1 3 . 1 1 17 17 ALA N N 17 121.368 121.368 120.793 0.575 18152 1470 1 3 . 1 1 17 17 ALA HA H 17 5.186 5.186 4.741 0.445 18152 1471 1 3 . 1 1 17 17 ALA C C 17 174.664 174.664 174.515 0.149 18152 1472 1 3 . 1 1 17 17 ALA CA C 17 51.098 51.098 51.003 0.095 18152 1473 1 3 . 1 1 17 17 ALA CB C 17 22.853 22.853 22.377 0.476 18152 1474 1 3 . 1 1 17 17 ALA H H 17 8.069 8.069 7.471 0.598 18152 1475 1 3 . 1 1 18 18 MET N N 18 116.475 116.475 120.145 -3.670 18152 1476 1 3 . 1 1 18 18 MET HA H 18 5.303 5.303 5.035 0.268 18152 1477 1 3 . 1 1 18 18 MET C C 18 174.413 174.413 173.964 0.449 18152 1478 1 3 . 1 1 18 18 MET CA C 18 53.607 53.607 54.554 -0.947 18152 1479 1 3 . 1 1 18 18 MET CB C 18 35.038 35.038 36.883 -1.845 18152 1480 1 3 . 1 1 18 18 MET H H 18 8.142 8.142 8.285 -0.143 18152 1481 1 3 . 1 1 19 19 LEU N N 19 126.244 126.244 126.515 -0.271 18152 1482 1 3 . 1 1 19 19 LEU HA H 19 5.268 5.268 5.164 0.104 18152 1483 1 3 . 1 1 19 19 LEU C C 19 173.617 173.617 174.737 -1.120 18152 1484 1 3 . 1 1 19 19 LEU CA C 19 52.851 52.851 53.087 -0.235 18152 1485 1 3 . 1 1 19 19 LEU CB C 19 44.705 44.705 43.828 0.877 18152 1486 1 3 . 1 1 19 19 LEU H H 19 9.369 9.369 9.383 -0.014 18152 1487 1 3 . 1 1 20 20 ASN N N 20 126.596 126.596 125.336 1.260 18152 1488 1 3 . 1 1 20 20 ASN HA H 20 5.340 5.340 5.318 0.022 18152 1489 1 3 . 1 1 20 20 ASN C C 20 174.316 174.316 173.732 0.584 18152 1490 1 3 . 1 1 20 20 ASN CA C 20 51.344 51.344 52.325 -0.981 18152 1491 1 3 . 1 1 20 20 ASN CB C 20 40.972 40.972 42.053 -1.081 18152 1492 1 3 . 1 1 20 20 ASN H H 20 10.032 10.032 9.002 1.030 18152 1493 1 3 . 1 1 21 21 ILE N N 21 123.799 123.799 126.396 -2.597 18152 1494 1 3 . 1 1 21 21 ILE HA H 21 4.829 4.829 4.897 -0.068 18152 1495 1 3 . 1 1 21 21 ILE C C 21 174.409 174.409 174.996 -0.587 18152 1496 1 3 . 1 1 21 21 ILE CA C 21 58.243 58.243 58.321 -0.078 18152 1497 1 3 . 1 1 21 21 ILE CB C 21 37.477 37.477 38.845 -1.368 18152 1498 1 3 . 1 1 21 21 ILE H H 21 8.614 8.614 9.332 -0.718 18152 1499 1 3 . 1 1 22 22 PRO HA H 22 4.178 4.178 4.392 -0.214 18152 1500 1 3 . 1 1 22 22 PRO CA C 22 65.629 65.629 65.027 0.602 18152 1501 1 3 . 1 1 22 22 PRO CB C 22 31.806 31.806 32.151 -0.345 18152 1502 1 3 . 1 1 23 23 LYS N N 23 118.170 118.170 119.331 -1.161 18152 1503 1 3 . 1 1 23 23 LYS HA H 23 3.943 3.943 4.135 -0.192 18152 1504 1 3 . 1 1 23 23 LYS C C 23 177.231 177.231 177.324 -0.093 18152 1505 1 3 . 1 1 23 23 LYS CA C 23 58.643 58.643 58.277 0.366 18152 1506 1 3 . 1 1 23 23 LYS CB C 23 33.171 33.171 32.236 0.935 18152 1507 1 3 . 1 1 23 23 LYS H H 23 9.365 9.365 8.435 0.930 18152 1508 1 3 . 1 1 24 24 LEU N N 24 111.984 111.984 118.571 -6.587 18152 1509 1 3 . 1 1 24 24 LEU HA H 24 4.319 4.319 4.464 -0.145 18152 1510 1 3 . 1 1 24 24 LEU C C 24 175.562 175.562 176.039 -0.477 18152 1511 1 3 . 1 1 24 24 LEU CA C 24 52.965 52.965 54.361 -1.396 18152 1512 1 3 . 1 1 24 24 LEU CB C 24 42.473 42.473 41.752 0.721 18152 1513 1 3 . 1 1 24 24 LEU H H 24 6.919 6.919 8.057 -1.138 18152 1514 1 3 . 1 1 25 25 LYS N N 25 115.814 115.814 116.260 -0.446 18152 1515 1 3 . 1 1 25 25 LYS HA H 25 3.849 3.849 4.056 -0.207 18152 1516 1 3 . 1 1 25 25 LYS C C 25 175.297 175.297 175.524 -0.227 18152 1517 1 3 . 1 1 25 25 LYS CA C 25 56.598 56.598 57.077 -0.479 18152 1518 1 3 . 1 1 25 25 LYS CB C 25 28.918 28.918 29.236 -0.318 18152 1519 1 3 . 1 1 25 25 LYS H H 25 7.912 7.912 7.427 0.485 18152 1520 1 3 . 1 1 26 26 LYS N N 26 115.145 115.145 119.098 -3.953 18152 1521 1 3 . 1 1 26 26 LYS HA H 26 4.559 4.559 4.435 0.124 18152 1522 1 3 . 1 1 26 26 LYS C C 26 173.961 173.961 174.529 -0.568 18152 1523 1 3 . 1 1 26 26 LYS CA C 26 53.788 53.788 54.462 -0.674 18152 1524 1 3 . 1 1 26 26 LYS CB C 26 37.483 37.483 36.225 1.258 18152 1525 1 3 . 1 1 26 26 LYS H H 26 6.765 6.765 8.168 -1.403 18152 1526 1 3 . 1 1 27 27 LYS N N 27 119.758 119.758 119.453 0.305 18152 1527 1 3 . 1 1 27 27 LYS HA H 27 5.452 5.452 5.191 0.261 18152 1528 1 3 . 1 1 27 27 LYS C C 27 175.482 175.482 175.079 0.403 18152 1529 1 3 . 1 1 27 27 LYS CA C 27 53.883 53.883 55.073 -1.190 18152 1530 1 3 . 1 1 27 27 LYS CB C 27 35.855 35.855 36.092 -0.237 18152 1531 1 3 . 1 1 27 27 LYS H H 27 7.885 7.885 7.897 -0.012 18152 1532 1 3 . 1 1 28 28 PHE N N 28 119.077 119.077 121.186 -2.109 18152 1533 1 3 . 1 1 28 28 PHE HA H 28 4.871 4.871 4.868 0.003 18152 1534 1 3 . 1 1 28 28 PHE C C 28 175.477 175.477 174.193 1.284 18152 1535 1 3 . 1 1 28 28 PHE CA C 28 56.100 56.100 56.734 -0.634 18152 1536 1 3 . 1 1 28 28 PHE CB C 28 42.734 42.734 43.621 -0.887 18152 1537 1 3 . 1 1 28 28 PHE H H 28 9.397 9.397 9.300 0.097 18152 1538 1 3 . 1 1 29 29 SER N N 29 121.189 121.189 116.927 4.262 18152 1539 1 3 . 1 1 29 29 SER HA H 29 4.848 4.848 4.610 0.238 18152 1540 1 3 . 1 1 29 29 SER C C 29 172.010 172.010 173.732 -1.722 18152 1541 1 3 . 1 1 29 29 SER CA C 29 59.961 59.961 57.264 2.697 18152 1542 1 3 . 1 1 29 29 SER CB C 29 64.433 64.433 63.603 0.830 18152 1543 1 3 . 1 1 29 29 SER H H 29 9.010 9.010 8.801 0.209 18152 1544 1 3 . 1 1 30 30 ILE N N 30 120.881 120.881 127.847 -6.966 18152 1545 1 3 . 1 1 30 30 ILE HA H 30 4.942 4.942 4.204 0.738 18152 1546 1 3 . 1 1 30 30 ILE C C 30 174.874 174.874 174.697 0.177 18152 1547 1 3 . 1 1 30 30 ILE CA C 30 57.775 57.775 59.322 -1.547 18152 1548 1 3 . 1 1 30 30 ILE CB C 30 38.001 38.001 37.442 0.559 18152 1549 1 3 . 1 1 30 30 ILE H H 30 8.084 8.084 8.849 -0.765 18152 1550 1 3 . 1 1 31 31 TYR N N 31 127.573 127.573 125.839 1.734 18152 1551 1 3 . 1 1 31 31 TYR HA H 31 5.299 5.299 4.957 0.342 18152 1552 1 3 . 1 1 31 31 TYR C C 31 174.806 174.806 175.292 -0.486 18152 1553 1 3 . 1 1 31 31 TYR CA C 31 56.120 56.120 56.299 -0.179 18152 1554 1 3 . 1 1 31 31 TYR CB C 31 41.139 41.139 41.238 -0.099 18152 1555 1 3 . 1 1 31 31 TYR H H 31 9.174 9.174 8.459 0.715 18152 1556 1 3 . 1 1 32 32 TRP N N 32 121.993 121.993 124.480 -2.487 18152 1557 1 3 . 1 1 32 32 TRP HA H 32 4.583 4.583 4.470 0.113 18152 1558 1 3 . 1 1 32 32 TRP C C 32 175.194 175.194 176.094 -0.900 18152 1559 1 3 . 1 1 32 32 TRP CA C 32 57.396 57.396 59.703 -2.307 18152 1560 1 3 . 1 1 32 32 TRP CB C 32 29.670 29.670 30.497 -0.827 18152 1561 1 3 . 1 1 32 32 TRP H H 32 9.007 9.007 8.630 0.377 18152 1562 1 3 . 1 1 33 33 GLY N N 33 120.470 120.470 112.771 7.699 18152 1563 1 3 . 1 1 33 33 GLY C C 33 171.936 171.936 171.896 0.040 18152 1564 1 3 . 1 1 33 33 GLY CA C 33 44.532 44.532 44.323 0.209 18152 1565 1 3 . 1 1 33 33 GLY H H 33 7.758 7.758 7.090 0.668 18152 1566 1 3 . 1 1 34 34 ALA N N 34 120.239 120.239 123.101 -2.862 18152 1567 1 3 . 1 1 34 34 ALA HA H 34 4.447 4.447 4.563 -0.116 18152 1568 1 3 . 1 1 34 34 ALA C C 34 176.174 176.174 175.681 0.493 18152 1569 1 3 . 1 1 34 34 ALA CA C 34 49.913 49.913 51.642 -1.729 18152 1570 1 3 . 1 1 34 34 ALA CB C 34 18.955 18.955 20.837 -1.882 18152 1571 1 3 . 1 1 34 34 ALA H H 34 7.883 7.883 8.082 -0.199 18152 1572 1 3 . 1 1 35 35 ASP N N 35 118.828 118.828 125.127 -6.299 18152 1573 1 3 . 1 1 35 35 ASP HA H 35 4.450 4.450 4.758 -0.308 18152 1574 1 3 . 1 1 35 35 ASP C C 35 175.990 175.990 176.421 -0.431 18152 1575 1 3 . 1 1 35 35 ASP CA C 35 53.030 53.030 53.492 -0.462 18152 1576 1 3 . 1 1 35 35 ASP CB C 35 41.508 41.508 42.053 -0.546 18152 1577 1 3 . 1 1 35 35 ASP H H 35 7.944 7.944 8.351 -0.407 18152 1578 1 3 . 1 1 36 36 ASP N N 36 121.051 121.051 124.609 -3.558 18152 1579 1 3 . 1 1 36 36 ASP HA H 36 4.335 4.335 4.500 -0.165 18152 1580 1 3 . 1 1 36 36 ASP C C 36 177.296 177.296 177.169 0.127 18152 1581 1 3 . 1 1 36 36 ASP CA C 36 55.183 55.183 56.052 -0.869 18152 1582 1 3 . 1 1 36 36 ASP CB C 36 39.837 39.837 41.065 -1.228 18152 1583 1 3 . 1 1 36 36 ASP H H 36 8.509 8.509 8.839 -0.330 18152 1584 1 3 . 1 1 37 37 ALA N N 37 119.568 119.568 121.235 -1.667 18152 1585 1 3 . 1 1 37 37 ALA HA H 37 4.060 4.060 4.168 -0.108 18152 1586 1 3 . 1 1 37 37 ALA C C 37 179.598 179.598 177.874 1.724 18152 1587 1 3 . 1 1 37 37 ALA CA C 37 53.967 53.967 53.583 0.384 18152 1588 1 3 . 1 1 37 37 ALA CB C 37 18.009 18.009 18.899 -0.890 18152 1589 1 3 . 1 1 37 37 ALA H H 37 8.169 8.169 7.910 0.259 18152 1590 1 3 . 1 1 38 38 THR HA H 38 3.850 3.850 4.177 -0.327 18152 1591 1 3 . 1 1 38 38 THR CA C 38 68.437 68.437 62.884 5.553 18152 1592 1 3 . 1 1 38 38 THR CB C 38 72.916 72.916 69.316 3.600 18152 1593 1 3 . 1 1 38 38 THR H H 38 7.621 7.621 7.501 0.120 18152 1594 1 3 . 1 1 42 42 GLY N N 42 106.310 106.310 109.287 -2.977 18152 1595 1 3 . 1 1 42 42 GLY CA C 42 46.480 46.480 45.340 1.140 18152 1596 1 3 . 1 1 43 43 VAL N N 43 121.961 121.961 118.402 3.559 18152 1597 1 3 . 1 1 43 43 VAL HA H 43 4.481 4.481 4.940 -0.459 18152 1598 1 3 . 1 1 43 43 VAL C C 43 174.308 174.308 174.442 -0.134 18152 1599 1 3 . 1 1 43 43 VAL CA C 43 61.079 61.079 59.664 1.415 18152 1600 1 3 . 1 1 43 43 VAL CB C 43 32.911 32.911 32.047 0.864 18152 1601 1 3 . 1 1 43 43 VAL H H 43 8.247 8.247 7.551 0.696 18152 1602 1 3 . 1 1 44 44 GLY N N 44 114.325 114.325 112.492 1.833 18152 1603 1 3 . 1 1 44 44 GLY C C 44 172.465 172.465 171.810 0.655 18152 1604 1 3 . 1 1 44 44 GLY CA C 44 43.458 43.458 43.423 0.035 18152 1605 1 3 . 1 1 44 44 GLY H H 44 9.063 9.063 8.255 0.808 18152 1606 1 3 . 1 1 45 45 MET N N 45 125.031 125.031 121.247 3.784 18152 1607 1 3 . 1 1 45 45 MET HA H 45 4.742 4.742 5.228 -0.486 18152 1608 1 3 . 1 1 45 45 MET C C 45 173.873 173.873 174.056 -0.183 18152 1609 1 3 . 1 1 45 45 MET CA C 45 54.084 54.084 54.271 -0.187 18152 1610 1 3 . 1 1 45 45 MET CB C 45 34.548 34.548 36.362 -1.814 18152 1611 1 3 . 1 1 45 45 MET H H 45 8.966 8.966 8.886 0.080 18152 1612 1 3 . 1 1 46 46 PHE N N 46 127.637 127.637 125.452 2.185 18152 1613 1 3 . 1 1 46 46 PHE HA H 46 3.611 3.611 4.293 -0.682 18152 1614 1 3 . 1 1 46 46 PHE C C 46 175.023 175.023 173.890 1.133 18152 1615 1 3 . 1 1 46 46 PHE CA C 46 59.286 59.286 58.579 0.707 18152 1616 1 3 . 1 1 46 46 PHE CB C 46 40.644 40.644 39.849 0.796 18152 1617 1 3 . 1 1 46 46 PHE H H 46 8.790 8.790 8.064 0.726 18152 1618 1 3 . 1 1 47 47 VAL N N 47 130.695 130.695 126.911 3.784 18152 1619 1 3 . 1 1 47 47 VAL HA H 47 3.663 3.663 3.814 -0.151 18152 1620 1 3 . 1 1 47 47 VAL C C 47 174.235 174.235 174.076 0.159 18152 1621 1 3 . 1 1 47 47 VAL CA C 47 61.455 61.455 61.498 -0.043 18152 1622 1 3 . 1 1 47 47 VAL CB C 47 32.002 32.002 32.864 -0.862 18152 1623 1 3 . 1 1 47 47 VAL H H 47 7.942 7.942 7.125 0.817 18152 1624 1 3 . 1 1 48 48 SER N N 48 120.391 120.391 123.929 -3.538 18152 1625 1 3 . 1 1 48 48 SER HA H 48 4.626 4.626 4.549 0.077 18152 1626 1 3 . 1 1 48 48 SER C C 48 173.167 173.167 173.528 -0.361 18152 1627 1 3 . 1 1 48 48 SER CA C 48 57.384 57.384 57.639 -0.255 18152 1628 1 3 . 1 1 48 48 SER CB C 48 65.720 65.720 65.128 0.592 18152 1629 1 3 . 1 1 48 48 SER H H 48 7.971 7.971 8.401 -0.430 18152 1630 1 3 . 1 1 49 49 ASP N N 49 117.498 117.498 119.767 -2.269 18152 1631 1 3 . 1 1 49 49 ASP HA H 49 4.603 4.603 4.740 -0.137 18152 1632 1 3 . 1 1 49 49 ASP C C 49 174.539 174.539 176.822 -2.283 18152 1633 1 3 . 1 1 49 49 ASP CA C 49 55.222 55.222 55.390 -0.168 18152 1634 1 3 . 1 1 49 49 ASP CB C 49 40.206 40.206 41.432 -1.226 18152 1635 1 3 . 1 1 49 49 ASP H H 49 8.701 8.701 8.749 -0.048 18152 1636 1 3 . 1 1 50 50 VAL N N 50 109.465 109.465 114.084 -4.619 18152 1637 1 3 . 1 1 50 50 VAL HA H 50 4.455 4.455 4.379 0.076 18152 1638 1 3 . 1 1 50 50 VAL C C 50 174.487 174.487 176.596 -2.109 18152 1639 1 3 . 1 1 50 50 VAL CA C 50 60.840 60.840 62.685 -1.845 18152 1640 1 3 . 1 1 50 50 VAL CB C 50 32.067 32.067 32.921 -0.854 18152 1641 1 3 . 1 1 50 50 VAL H H 50 7.770 7.770 7.399 0.371 18152 1642 1 3 . 1 1 51 51 THR N N 51 110.572 110.572 114.593 -4.021 18152 1643 1 3 . 1 1 51 51 THR HA H 51 5.293 5.293 4.397 0.896 18152 1644 1 3 . 1 1 51 51 THR C C 51 174.591 174.591 174.748 -0.157 18152 1645 1 3 . 1 1 51 51 THR CA C 51 58.487 58.487 62.395 -3.908 18152 1646 1 3 . 1 1 51 51 THR CB C 51 71.674 71.674 69.911 1.763 18152 1647 1 3 . 1 1 51 51 THR H H 51 7.095 7.095 8.262 -1.167 18152 1648 1 3 . 1 1 52 52 THR N N 52 109.706 109.706 117.586 -7.880 18152 1649 1 3 . 1 1 52 52 THR HA H 52 4.988 4.988 4.993 -0.005 18152 1650 1 3 . 1 1 52 52 THR C C 52 177.060 177.060 173.219 3.841 18152 1651 1 3 . 1 1 52 52 THR CA C 52 59.777 59.777 60.752 -0.975 18152 1652 1 3 . 1 1 52 52 THR CB C 52 72.911 72.911 72.152 0.759 18152 1653 1 3 . 1 1 52 52 THR H H 52 8.836 8.836 9.064 -0.228 18152 1654 1 3 . 1 1 53 53 THR N N 53 113.970 113.970 115.571 -1.601 18152 1655 1 3 . 1 1 53 53 THR HA H 53 4.601 4.601 5.021 -0.420 18152 1656 1 3 . 1 1 53 53 THR C C 53 176.085 176.085 173.527 2.558 18152 1657 1 3 . 1 1 53 53 THR CA C 53 60.920 60.920 58.672 2.248 18152 1658 1 3 . 1 1 53 53 THR CB C 53 67.192 67.192 69.993 -2.800 18152 1659 1 3 . 1 1 53 53 THR H H 53 8.857 8.857 8.305 0.552 18152 1660 1 3 . 1 1 54 54 PRO HA H 54 4.023 4.023 4.553 -0.530 18152 1661 1 3 . 1 1 54 54 PRO CA C 54 64.658 64.658 62.781 1.877 18152 1662 1 3 . 1 1 54 54 PRO CB C 54 29.665 29.665 30.311 -0.646 18152 1663 1 3 . 1 1 55 55 SER N N 55 105.932 105.932 117.233 -11.301 18152 1664 1 3 . 1 1 55 55 SER HA H 55 4.448 4.448 4.114 0.334 18152 1665 1 3 . 1 1 55 55 SER C C 55 176.253 176.253 173.911 2.342 18152 1666 1 3 . 1 1 55 55 SER CA C 55 58.086 58.086 57.595 0.491 18152 1667 1 3 . 1 1 55 55 SER CB C 55 62.950 62.950 64.186 -1.236 18152 1668 1 3 . 1 1 55 55 SER H H 55 6.879 6.879 7.917 -1.038 18152 1669 1 3 . 1 1 56 56 GLY N N 56 109.826 109.826 108.199 1.627 18152 1670 1 3 . 1 1 56 56 GLY C C 56 175.832 175.832 174.312 1.520 18152 1671 1 3 . 1 1 56 56 GLY CA C 56 45.213 45.213 45.264 -0.051 18152 1672 1 3 . 1 1 56 56 GLY H H 56 7.733 7.733 7.407 0.326 18152 1673 1 3 . 1 1 57 57 GLY N N 57 105.805 105.805 111.485 -5.680 18152 1674 1 3 . 1 1 57 57 GLY C C 57 172.905 172.905 173.283 -0.378 18152 1675 1 3 . 1 1 57 57 GLY CA C 57 46.480 46.480 45.533 0.947 18152 1676 1 3 . 1 1 57 57 GLY H H 57 7.481 7.481 8.743 -1.262 18152 1677 1 3 . 1 1 58 58 GLY N N 58 109.086 109.086 108.912 0.174 18152 1678 1 3 . 1 1 58 58 GLY C C 58 172.807 172.807 172.631 0.176 18152 1679 1 3 . 1 1 58 58 GLY CA C 58 43.642 43.642 44.532 -0.890 18152 1680 1 3 . 1 1 58 58 GLY H H 58 7.549 7.549 7.809 -0.260 18152 1681 1 3 . 1 1 59 59 HIS N N 59 127.776 127.776 121.677 6.099 18152 1682 1 3 . 1 1 59 59 HIS HA H 59 5.162 5.162 4.999 0.163 18152 1683 1 3 . 1 1 59 59 HIS C C 59 174.930 174.930 174.157 0.773 18152 1684 1 3 . 1 1 59 59 HIS CA C 59 52.820 52.820 55.247 -2.427 18152 1685 1 3 . 1 1 59 59 HIS CB C 59 30.250 30.250 30.609 -0.359 18152 1686 1 3 . 1 1 59 59 HIS H H 59 9.517 9.517 8.858 0.659 18152 1687 1 3 . 1 1 60 60 THR N N 60 127.768 127.768 125.148 2.620 18152 1688 1 3 . 1 1 60 60 THR HA H 60 4.870 4.870 4.951 -0.081 18152 1689 1 3 . 1 1 60 60 THR C C 60 171.847 171.847 172.958 -1.111 18152 1690 1 3 . 1 1 60 60 THR CA C 60 61.358 61.358 61.437 -0.079 18152 1691 1 3 . 1 1 60 60 THR CB C 60 69.821 69.821 70.470 -0.649 18152 1692 1 3 . 1 1 60 60 THR H H 60 9.769 9.769 9.314 0.455 18152 1693 1 3 . 1 1 61 61 VAL N N 61 126.493 126.493 127.176 -0.683 18152 1694 1 3 . 1 1 61 61 VAL HA H 61 4.641 4.641 4.970 -0.329 18152 1695 1 3 . 1 1 61 61 VAL C C 61 173.794 173.794 174.544 -0.750 18152 1696 1 3 . 1 1 61 61 VAL CA C 61 59.808 59.808 60.650 -0.842 18152 1697 1 3 . 1 1 61 61 VAL CB C 61 33.334 33.334 33.500 -0.166 18152 1698 1 3 . 1 1 61 61 VAL H H 61 8.534 8.534 8.746 -0.212 18152 1699 1 3 . 1 1 62 62 LEU N N 62 126.342 126.342 128.700 -2.358 18152 1700 1 3 . 1 1 62 62 LEU HA H 62 5.345 5.345 4.836 0.509 18152 1701 1 3 . 1 1 62 62 LEU C C 62 175.554 175.554 175.205 0.349 18152 1702 1 3 . 1 1 62 62 LEU CA C 62 51.143 51.143 53.264 -2.121 18152 1703 1 3 . 1 1 62 62 LEU CB C 62 43.344 43.344 44.519 -1.175 18152 1704 1 3 . 1 1 62 62 LEU H H 62 9.284 9.284 9.390 -0.106 18152 1705 1 3 . 1 1 63 63 SER N N 63 116.370 116.370 117.507 -1.137 18152 1706 1 3 . 1 1 63 63 SER HA H 63 5.328 5.328 5.758 -0.430 18152 1707 1 3 . 1 1 63 63 SER C C 63 174.576 174.576 173.318 1.258 18152 1708 1 3 . 1 1 63 63 SER CA C 63 54.893 54.893 55.963 -1.070 18152 1709 1 3 . 1 1 63 63 SER CB C 63 64.901 64.901 65.465 -0.563 18152 1710 1 3 . 1 1 63 63 SER H H 63 9.117 9.117 9.090 0.027 18152 1711 1 3 . 1 1 64 64 GLY N N 64 111.783 111.783 111.831 -0.048 18152 1712 1 3 . 1 1 64 64 GLY C C 64 173.058 173.058 172.105 0.953 18152 1713 1 3 . 1 1 64 64 GLY CA C 64 45.547 45.547 44.535 1.012 18152 1714 1 3 . 1 1 64 64 GLY H H 64 8.723 8.723 8.120 0.603 18152 1715 1 3 . 1 1 74 74 GLY C C 74 173.703 173.703 175.771 -2.068 18152 1716 1 3 . 1 1 74 74 GLY CA C 74 45.507 45.507 45.584 -0.077 18152 1717 1 3 . 1 1 75 75 GLN N N 75 116.093 116.093 119.493 -3.400 18152 1718 1 3 . 1 1 75 75 GLN HA H 75 4.229 4.229 4.175 0.054 18152 1719 1 3 . 1 1 75 75 GLN C C 75 177.319 177.319 177.303 0.016 18152 1720 1 3 . 1 1 75 75 GLN CA C 75 56.016 56.016 57.472 -1.456 18152 1721 1 3 . 1 1 75 75 GLN CB C 75 29.310 29.310 29.473 -0.163 18152 1722 1 3 . 1 1 75 75 GLN H H 75 7.598 7.598 8.183 -0.585 18152 1723 1 3 . 1 1 76 76 LEU N N 76 117.894 117.894 121.272 -3.378 18152 1724 1 3 . 1 1 76 76 LEU HA H 76 4.373 4.373 4.482 -0.109 18152 1725 1 3 . 1 1 76 76 LEU C C 76 175.639 175.639 175.006 0.633 18152 1726 1 3 . 1 1 76 76 LEU CA C 76 54.578 54.578 54.593 -0.015 18152 1727 1 3 . 1 1 76 76 LEU CB C 76 41.720 41.720 40.071 1.649 18152 1728 1 3 . 1 1 76 76 LEU H H 76 7.285 7.285 7.645 -0.360 18152 1729 1 3 . 1 1 77 77 LYS N N 77 122.287 122.287 119.787 2.500 18152 1730 1 3 . 1 1 77 77 LYS HA H 77 4.545 4.545 4.402 0.143 18152 1731 1 3 . 1 1 77 77 LYS C C 77 175.553 175.553 175.958 -0.405 18152 1732 1 3 . 1 1 77 77 LYS CA C 77 53.336 53.336 56.102 -2.765 18152 1733 1 3 . 1 1 77 77 LYS CB C 77 36.380 36.380 34.120 2.260 18152 1734 1 3 . 1 1 77 77 LYS H H 77 9.513 9.513 7.595 1.918 18152 1735 1 3 . 1 1 78 78 GLU N N 78 118.949 118.949 120.897 -1.948 18152 1736 1 3 . 1 1 78 78 GLU HA H 78 3.523 3.523 4.363 -0.840 18152 1737 1 3 . 1 1 78 78 GLU C C 78 177.053 177.053 177.245 -0.192 18152 1738 1 3 . 1 1 78 78 GLU CA C 78 59.205 59.205 59.271 -0.066 18152 1739 1 3 . 1 1 78 78 GLU CB C 78 28.284 28.284 29.701 -1.417 18152 1740 1 3 . 1 1 78 78 GLU H H 78 8.900 8.900 8.964 -0.064 18152 1741 1 3 . 1 1 79 79 LYS N N 79 114.843 114.843 114.817 0.026 18152 1742 1 3 . 1 1 79 79 LYS HA H 79 3.751 3.751 4.233 -0.482 18152 1743 1 3 . 1 1 79 79 LYS C C 79 176.434 176.434 176.269 0.165 18152 1744 1 3 . 1 1 79 79 LYS CA C 79 59.231 59.231 56.975 2.256 18152 1745 1 3 . 1 1 79 79 LYS CB C 79 29.657 29.657 32.260 -2.603 18152 1746 1 3 . 1 1 79 79 LYS H H 79 8.909 8.909 7.938 0.971 18152 1747 1 3 . 1 1 80 80 ASP N N 80 119.664 119.664 120.426 -0.762 18152 1748 1 3 . 1 1 80 80 ASP HA H 80 4.946 4.946 4.692 0.254 18152 1749 1 3 . 1 1 80 80 ASP C C 80 175.886 175.886 175.101 0.785 18152 1750 1 3 . 1 1 80 80 ASP CA C 80 55.661 55.661 54.599 1.062 18152 1751 1 3 . 1 1 80 80 ASP CB C 80 41.782 41.782 42.735 -0.953 18152 1752 1 3 . 1 1 80 80 ASP H H 80 8.052 8.052 7.639 0.413 18152 1753 1 3 . 1 1 81 81 THR N N 81 111.597 111.597 113.072 -1.475 18152 1754 1 3 . 1 1 81 81 THR HA H 81 5.321 5.321 5.038 0.283 18152 1755 1 3 . 1 1 81 81 THR C C 81 174.221 174.221 173.462 0.759 18152 1756 1 3 . 1 1 81 81 THR CA C 81 61.103 61.103 60.702 0.401 18152 1757 1 3 . 1 1 81 81 THR CB C 81 71.264 71.264 71.668 -0.404 18152 1758 1 3 . 1 1 81 81 THR H H 81 8.083 8.083 8.212 -0.129 18152 1759 1 3 . 1 1 82 82 LEU N N 82 120.358 120.358 125.691 -5.333 18152 1760 1 3 . 1 1 82 82 LEU HA H 82 4.836 4.836 4.745 0.091 18152 1761 1 3 . 1 1 82 82 LEU C C 82 174.850 174.850 175.614 -0.764 18152 1762 1 3 . 1 1 82 82 LEU CA C 82 53.721 53.721 53.902 -0.181 18152 1763 1 3 . 1 1 82 82 LEU CB C 82 45.655 45.655 43.995 1.660 18152 1764 1 3 . 1 1 82 82 LEU H H 82 8.684 8.684 9.203 -0.519 18152 1765 1 3 . 1 1 83 83 VAL N N 83 121.834 121.834 124.820 -2.986 18152 1766 1 3 . 1 1 83 83 VAL HA H 83 5.269 5.269 5.149 0.120 18152 1767 1 3 . 1 1 83 83 VAL C C 83 174.766 174.766 175.106 -0.340 18152 1768 1 3 . 1 1 83 83 VAL CA C 83 61.157 61.157 61.298 -0.141 18152 1769 1 3 . 1 1 83 83 VAL CB C 83 34.923 34.923 32.901 2.022 18152 1770 1 3 . 1 1 83 83 VAL H H 83 8.670 8.670 8.847 -0.177 18152 1771 1 3 . 1 1 84 84 LEU N N 84 129.811 129.811 129.958 -0.147 18152 1772 1 3 . 1 1 84 84 LEU HA H 84 5.647 5.647 4.807 0.840 18152 1773 1 3 . 1 1 84 84 LEU C C 84 175.644 175.644 175.967 -0.323 18152 1774 1 3 . 1 1 84 84 LEU CA C 84 53.160 53.160 54.022 -0.862 18152 1775 1 3 . 1 1 84 84 LEU CB C 84 46.815 46.815 43.237 3.578 18152 1776 1 3 . 1 1 84 84 LEU H H 84 10.025 10.025 9.147 0.878 18152 1777 1 3 . 1 1 85 85 GLU N N 85 125.273 125.273 125.003 0.270 18152 1778 1 3 . 1 1 85 85 GLU HA H 85 5.293 5.293 5.417 -0.124 18152 1779 1 3 . 1 1 85 85 GLU C C 85 175.910 175.910 175.353 0.557 18152 1780 1 3 . 1 1 85 85 GLU CA C 85 54.716 54.716 55.395 -0.679 18152 1781 1 3 . 1 1 85 85 GLU CB C 85 30.904 30.904 31.318 -0.414 18152 1782 1 3 . 1 1 85 85 GLU H H 85 9.117 9.117 8.816 0.301 18152 1783 1 3 . 1 1 86 86 TYR N N 86 125.299 125.299 126.218 -0.919 18152 1784 1 3 . 1 1 86 86 TYR HA H 86 4.825 4.825 4.799 0.026 18152 1785 1 3 . 1 1 86 86 TYR C C 86 174.077 174.077 174.560 -0.483 18152 1786 1 3 . 1 1 86 86 TYR CA C 86 57.516 57.516 58.188 -0.672 18152 1787 1 3 . 1 1 86 86 TYR CB C 86 41.720 41.720 42.453 -0.733 18152 1788 1 3 . 1 1 86 86 TYR H H 86 9.056 9.056 9.358 -0.302 18152 1789 1 3 . 1 1 87 87 ASP N N 87 131.006 131.006 127.504 3.502 18152 1790 1 3 . 1 1 87 87 ASP HA H 87 3.921 3.921 4.308 -0.387 18152 1791 1 3 . 1 1 87 87 ASP C C 87 171.773 171.773 175.609 -3.836 18152 1792 1 3 . 1 1 87 87 ASP CA C 87 54.613 54.613 55.106 -0.493 18152 1793 1 3 . 1 1 87 87 ASP CB C 87 39.659 39.659 40.106 -0.447 18152 1794 1 3 . 1 1 87 87 ASP H H 87 9.071 9.071 8.718 0.353 18152 1795 1 3 . 1 1 88 88 ASN N N 88 109.843 109.843 110.606 -0.763 18152 1796 1 3 . 1 1 88 88 ASN HA H 88 4.159 4.159 4.294 -0.135 18152 1797 1 3 . 1 1 88 88 ASN C C 88 173.995 173.995 174.333 -0.338 18152 1798 1 3 . 1 1 88 88 ASN CA C 88 54.528 54.528 54.602 -0.074 18152 1799 1 3 . 1 1 88 88 ASN CB C 88 37.383 37.383 37.955 -0.572 18152 1800 1 3 . 1 1 88 88 ASN H H 88 8.613 8.613 8.945 -0.332 18152 1801 1 3 . 1 1 89 89 LYS N N 89 119.021 119.021 119.036 -0.015 18152 1802 1 3 . 1 1 89 89 LYS HA H 89 4.714 4.714 4.768 -0.054 18152 1803 1 3 . 1 1 89 89 LYS C C 89 174.644 174.644 175.188 -0.544 18152 1804 1 3 . 1 1 89 89 LYS CA C 89 55.133 55.133 55.491 -0.358 18152 1805 1 3 . 1 1 89 89 LYS CB C 89 36.460 36.460 35.788 0.672 18152 1806 1 3 . 1 1 89 89 LYS H H 89 7.903 7.903 7.750 0.153 18152 1807 1 3 . 1 1 90 90 THR N N 90 117.141 117.141 119.721 -2.580 18152 1808 1 3 . 1 1 90 90 THR HA H 90 4.819 4.819 5.323 -0.504 18152 1809 1 3 . 1 1 90 90 THR C C 90 172.823 172.823 173.826 -1.003 18152 1810 1 3 . 1 1 90 90 THR CA C 90 61.745 61.745 62.060 -0.315 18152 1811 1 3 . 1 1 90 90 THR CB C 90 69.709 69.709 70.108 -0.399 18152 1812 1 3 . 1 1 90 90 THR H H 90 8.451 8.451 8.516 -0.065 18152 1813 1 3 . 1 1 91 91 TYR N N 91 127.333 127.333 127.112 0.221 18152 1814 1 3 . 1 1 91 91 TYR HA H 91 4.620 4.620 4.706 -0.086 18152 1815 1 3 . 1 1 91 91 TYR C C 91 174.313 174.313 175.712 -1.399 18152 1816 1 3 . 1 1 91 91 TYR CA C 91 56.764 56.764 56.995 -0.231 18152 1817 1 3 . 1 1 91 91 TYR CB C 91 41.054 41.054 41.074 -0.020 18152 1818 1 3 . 1 1 91 91 TYR H H 91 9.552 9.552 9.899 -0.347 18152 1819 1 3 . 1 1 92 92 THR N N 92 117.709 117.709 118.922 -1.213 18152 1820 1 3 . 1 1 92 92 THR HA H 92 4.941 4.941 4.763 0.178 18152 1821 1 3 . 1 1 92 92 THR C C 92 172.464 172.464 173.194 -0.730 18152 1822 1 3 . 1 1 92 92 THR CA C 92 61.320 61.320 61.912 -0.592 18152 1823 1 3 . 1 1 92 92 THR CB C 92 69.546 69.546 69.105 0.441 18152 1824 1 3 . 1 1 92 92 THR H H 92 8.705 8.705 8.777 -0.072 18152 1825 1 3 . 1 1 93 93 TYR N N 93 122.946 122.946 126.056 -3.110 18152 1826 1 3 . 1 1 93 93 TYR HA H 93 5.431 5.431 5.330 0.101 18152 1827 1 3 . 1 1 93 93 TYR C C 93 174.846 174.846 174.898 -0.052 18152 1828 1 3 . 1 1 93 93 TYR CA C 93 55.804 55.804 56.644 -0.840 18152 1829 1 3 . 1 1 93 93 TYR CB C 93 42.627 42.627 42.494 0.133 18152 1830 1 3 . 1 1 93 93 TYR H H 93 9.381 9.381 9.675 -0.294 18152 1831 1 3 . 1 1 94 94 GLU N N 94 121.240 121.240 121.351 -0.111 18152 1832 1 3 . 1 1 94 94 GLU HA H 94 4.901 4.901 5.077 -0.176 18152 1833 1 3 . 1 1 94 94 GLU C C 94 177.060 177.060 175.521 1.539 18152 1834 1 3 . 1 1 94 94 GLU CA C 94 54.073 54.073 53.904 0.169 18152 1835 1 3 . 1 1 94 94 GLU CB C 94 33.787 33.787 34.310 -0.523 18152 1836 1 3 . 1 1 94 94 GLU H H 94 9.100 9.100 9.344 -0.244 18152 1837 1 3 . 1 1 95 95 ILE N N 95 128.525 128.525 126.740 1.785 18152 1838 1 3 . 1 1 95 95 ILE HA H 95 3.737 3.737 4.170 -0.433 18152 1839 1 3 . 1 1 95 95 ILE C C 95 176.261 176.261 176.913 -0.652 18152 1840 1 3 . 1 1 95 95 ILE CA C 95 64.664 64.664 63.010 1.654 18152 1841 1 3 . 1 1 95 95 ILE CB C 95 37.472 37.472 36.365 1.107 18152 1842 1 3 . 1 1 95 95 ILE H H 95 9.293 9.293 8.442 0.851 18152 1843 1 3 . 1 1 96 96 GLN N N 96 127.221 127.221 128.998 -1.777 18152 1844 1 3 . 1 1 96 96 GLN HA H 96 4.831 4.831 4.351 0.480 18152 1845 1 3 . 1 1 96 96 GLN C C 96 174.674 174.674 176.189 -1.515 18152 1846 1 3 . 1 1 96 96 GLN CA C 96 54.632 54.632 57.859 -3.227 18152 1847 1 3 . 1 1 96 96 GLN CB C 96 31.165 31.165 29.936 1.229 18152 1848 1 3 . 1 1 96 96 GLN H H 96 10.106 10.106 8.711 1.395 18152 1849 1 3 . 1 1 97 97 LYS N N 97 120.717 120.717 118.414 2.303 18152 1850 1 3 . 1 1 97 97 LYS HA H 97 4.658 4.658 4.681 -0.023 18152 1851 1 3 . 1 1 97 97 LYS C C 97 173.200 173.200 174.118 -0.918 18152 1852 1 3 . 1 1 97 97 LYS CA C 97 56.528 56.528 55.627 0.901 18152 1853 1 3 . 1 1 97 97 LYS CB C 97 36.462 36.462 35.428 1.034 18152 1854 1 3 . 1 1 97 97 LYS H H 97 7.958 7.958 7.638 0.320 18152 1855 1 3 . 1 1 98 98 ILE N N 98 125.089 125.089 122.459 2.630 18152 1856 1 3 . 1 1 98 98 ILE HA H 98 5.221 5.221 4.891 0.330 18152 1857 1 3 . 1 1 98 98 ILE C C 98 175.821 175.821 175.601 0.220 18152 1858 1 3 . 1 1 98 98 ILE CA C 98 60.078 60.078 59.752 0.326 18152 1859 1 3 . 1 1 98 98 ILE CB C 98 42.082 42.082 40.506 1.576 18152 1860 1 3 . 1 1 98 98 ILE H H 98 8.458 8.458 8.546 -0.088 18152 1861 1 3 . 1 1 99 99 TRP N N 99 129.003 129.003 124.517 4.486 18152 1862 1 3 . 1 1 99 99 TRP HA H 99 4.661 4.661 4.949 -0.288 18152 1863 1 3 . 1 1 99 99 TRP C C 99 170.353 170.353 172.815 -2.462 18152 1864 1 3 . 1 1 99 99 TRP CA C 99 56.388 56.388 56.126 0.262 18152 1865 1 3 . 1 1 99 99 TRP CB C 99 31.158 31.158 30.493 0.665 18152 1866 1 3 . 1 1 99 99 TRP H H 99 9.291 9.291 8.040 1.251 18152 1867 1 3 . 1 1 100 100 ILE N N 100 117.739 117.739 120.334 -2.595 18152 1868 1 3 . 1 1 100 100 ILE HA H 100 4.616 4.616 4.794 -0.178 18152 1869 1 3 . 1 1 100 100 ILE C C 100 176.258 176.258 175.601 0.657 18152 1870 1 3 . 1 1 100 100 ILE CA C 100 58.973 58.973 59.897 -0.924 18152 1871 1 3 . 1 1 100 100 ILE CB C 100 40.734 40.734 40.725 0.009 18152 1872 1 3 . 1 1 100 100 ILE H H 100 7.778 7.778 8.323 -0.545 18152 1873 1 3 . 1 1 101 101 THR N N 101 120.676 120.676 120.115 0.561 18152 1874 1 3 . 1 1 101 101 THR HA H 101 4.755 4.755 4.781 -0.026 18152 1875 1 3 . 1 1 101 101 THR C C 101 172.069 172.069 173.136 -1.067 18152 1876 1 3 . 1 1 101 101 THR CA C 101 57.557 57.557 59.174 -1.617 18152 1877 1 3 . 1 1 101 101 THR CB C 101 70.656 70.656 71.300 -0.644 18152 1878 1 3 . 1 1 101 101 THR H H 101 8.587 8.587 8.932 -0.345 18152 1879 1 3 . 1 1 102 102 HIS N N 102 119.885 119.885 120.436 -0.551 18152 1880 1 3 . 1 1 102 102 HIS HA H 102 5.401 5.401 4.518 0.883 18152 1881 1 3 . 1 1 102 102 HIS C C 102 176.781 176.781 176.467 0.314 18152 1882 1 3 . 1 1 102 102 HIS CA C 102 54.482 54.482 58.258 -3.776 18152 1883 1 3 . 1 1 102 102 HIS CB C 102 31.240 31.240 31.375 -0.135 18152 1884 1 3 . 1 1 102 102 HIS H H 102 8.194 8.194 8.835 -0.641 18152 1885 1 3 . 1 1 103 103 ALA N N 103 121.632 121.632 124.418 -2.786 18152 1886 1 3 . 1 1 103 103 ALA HA H 103 3.710 3.710 4.079 -0.369 18152 1887 1 3 . 1 1 103 103 ALA C C 103 177.587 177.587 177.260 0.327 18152 1888 1 3 . 1 1 103 103 ALA CA C 103 54.899 54.899 53.947 0.952 18152 1889 1 3 . 1 1 103 103 ALA CB C 103 17.981 17.981 19.047 -1.066 18152 1890 1 3 . 1 1 103 103 ALA H H 103 8.405 8.405 8.301 0.104 18152 1891 1 3 . 1 1 104 104 ASP N N 104 114.513 114.513 116.544 -2.031 18152 1892 1 3 . 1 1 104 104 ASP HA H 104 4.603 4.603 4.654 -0.051 18152 1893 1 3 . 1 1 104 104 ASP C C 104 175.283 175.283 174.899 0.384 18152 1894 1 3 . 1 1 104 104 ASP CA C 104 53.070 53.070 53.124 -0.054 18152 1895 1 3 . 1 1 104 104 ASP CB C 104 40.034 40.034 40.874 -0.840 18152 1896 1 3 . 1 1 104 104 ASP H H 104 8.314 8.314 8.149 0.165 18152 1897 1 3 . 1 1 105 105 ASP N N 105 119.184 119.184 120.805 -1.621 18152 1898 1 3 . 1 1 105 105 ASP HA H 105 4.170 4.170 4.755 -0.585 18152 1899 1 3 . 1 1 105 105 ASP C C 105 177.674 177.674 176.770 0.904 18152 1900 1 3 . 1 1 105 105 ASP CA C 105 54.268 54.268 52.932 1.336 18152 1901 1 3 . 1 1 105 105 ASP CB C 105 39.846 39.846 41.396 -1.550 18152 1902 1 3 . 1 1 105 105 ASP H H 105 7.043 7.043 7.495 -0.452 18152 1903 1 3 . 1 1 106 106 ARG N N 106 127.998 127.998 127.616 0.382 18152 1904 1 3 . 1 1 106 106 ARG HA H 106 4.368 4.368 4.189 0.179 18152 1905 1 3 . 1 1 106 106 ARG C C 106 177.709 177.709 177.991 -0.282 18152 1906 1 3 . 1 1 106 106 ARG CA C 106 55.888 55.888 58.256 -2.368 18152 1907 1 3 . 1 1 106 106 ARG CB C 106 29.264 29.264 29.948 -0.684 18152 1908 1 3 . 1 1 106 106 ARG H H 106 8.921 8.921 8.384 0.537 18152 1909 1 3 . 1 1 107 107 THR N N 107 111.880 111.880 113.362 -1.482 18152 1910 1 3 . 1 1 107 107 THR HA H 107 4.139 4.139 4.072 0.067 18152 1911 1 3 . 1 1 107 107 THR C C 107 173.548 173.548 175.524 -1.976 18152 1912 1 3 . 1 1 107 107 THR CA C 107 62.350 62.350 65.107 -2.757 18152 1913 1 3 . 1 1 107 107 THR CB C 107 68.935 68.935 68.549 0.386 18152 1914 1 3 . 1 1 107 107 THR H H 107 8.857 8.857 8.424 0.433 18152 1915 1 3 . 1 1 108 108 VAL N N 108 118.971 118.971 111.100 7.871 18152 1916 1 3 . 1 1 108 108 VAL HA H 108 3.942 3.942 4.538 -0.596 18152 1917 1 3 . 1 1 108 108 VAL C C 108 176.853 176.853 175.648 1.205 18152 1918 1 3 . 1 1 108 108 VAL CA C 108 63.878 63.878 62.653 1.226 18152 1919 1 3 . 1 1 108 108 VAL CB C 108 32.470 32.470 33.082 -0.612 18152 1920 1 3 . 1 1 108 108 VAL H H 108 6.811 6.811 7.311 -0.500 18152 1921 1 3 . 1 1 109 109 ILE N N 109 120.334 120.334 118.076 2.258 18152 1922 1 3 . 1 1 109 109 ILE HA H 109 3.438 3.438 4.311 -0.873 18152 1923 1 3 . 1 1 109 109 ILE C C 109 173.191 173.191 175.749 -2.558 18152 1924 1 3 . 1 1 109 109 ILE CA C 109 60.963 60.963 59.916 1.048 18152 1925 1 3 . 1 1 109 109 ILE CB C 109 33.933 33.933 37.991 -4.058 18152 1926 1 3 . 1 1 109 109 ILE H H 109 8.053 8.053 7.872 0.181 18152 1927 1 3 . 1 1 110 110 ILE N N 110 118.981 118.981 119.143 -0.162 18152 1928 1 3 . 1 1 110 110 ILE HA H 110 4.542 4.542 4.492 0.050 18152 1929 1 3 . 1 1 110 110 ILE C C 110 174.405 174.405 174.531 -0.126 18152 1930 1 3 . 1 1 110 110 ILE CA C 110 57.932 57.932 59.275 -1.343 18152 1931 1 3 . 1 1 110 110 ILE CB C 110 42.146 42.146 38.562 3.583 18152 1932 1 3 . 1 1 110 110 ILE H H 110 6.877 6.877 7.731 -0.854 18152 1933 1 3 . 1 1 111 111 LYS N N 111 123.307 123.307 120.116 3.191 18152 1934 1 3 . 1 1 111 111 LYS HA H 111 4.609 4.609 4.662 -0.053 18152 1935 1 3 . 1 1 111 111 LYS C C 111 176.528 176.528 175.758 0.770 18152 1936 1 3 . 1 1 111 111 LYS CA C 111 56.695 56.695 55.825 0.870 18152 1937 1 3 . 1 1 111 111 LYS CB C 111 33.092 33.092 34.000 -0.908 18152 1938 1 3 . 1 1 111 111 LYS H H 111 8.492 8.492 8.088 0.404 18152 1939 1 3 . 1 1 112 112 LYS N N 112 121.425 121.425 124.788 -3.363 18152 1940 1 3 . 1 1 112 112 LYS HA H 112 4.706 4.706 4.545 0.161 18152 1941 1 3 . 1 1 112 112 LYS C C 112 175.996 175.996 176.182 -0.186 18152 1942 1 3 . 1 1 112 112 LYS CA C 112 53.271 53.271 55.213 -1.942 18152 1943 1 3 . 1 1 112 112 LYS CB C 112 36.089 36.089 35.164 0.925 18152 1944 1 3 . 1 1 112 112 LYS H H 112 8.351 8.351 8.695 -0.344 18152 1945 1 3 . 1 1 113 113 GLU N N 113 119.533 119.533 120.276 -0.743 18152 1946 1 3 . 1 1 113 113 GLU HA H 113 4.372 4.372 4.241 0.131 18152 1947 1 3 . 1 1 113 113 GLU C C 113 174.477 174.477 175.650 -1.173 18152 1948 1 3 . 1 1 113 113 GLU CA C 113 55.175 55.175 56.801 -1.626 18152 1949 1 3 . 1 1 113 113 GLU CB C 113 29.097 29.097 30.302 -1.205 18152 1950 1 3 . 1 1 113 113 GLU H H 113 8.815 8.815 8.730 0.085 18152 1951 1 3 . 1 1 114 114 GLU N N 114 117.843 117.843 118.190 -0.347 18152 1952 1 3 . 1 1 114 114 GLU HA H 114 4.701 4.701 4.733 -0.032 18152 1953 1 3 . 1 1 114 114 GLU C C 114 172.378 172.378 174.074 -1.696 18152 1954 1 3 . 1 1 114 114 GLU CA C 114 52.633 52.633 52.872 -0.239 18152 1955 1 3 . 1 1 114 114 GLU CB C 114 30.487 30.487 29.929 0.558 18152 1956 1 3 . 1 1 114 114 GLU H H 114 7.426 7.426 7.681 -0.255 18152 1957 1 3 . 1 1 115 115 PRO HA H 115 4.725 4.725 4.972 -0.247 18152 1958 1 3 . 1 1 115 115 PRO CA C 115 62.352 62.352 63.037 -0.685 18152 1959 1 3 . 1 1 115 115 PRO CB C 115 30.706 30.706 31.201 -0.495 18152 1960 1 3 . 1 1 116 116 ILE N N 116 130.464 130.464 123.985 6.479 18152 1961 1 3 . 1 1 116 116 ILE HA H 116 4.785 4.785 4.981 -0.196 18152 1962 1 3 . 1 1 116 116 ILE C C 116 172.992 172.992 174.371 -1.379 18152 1963 1 3 . 1 1 116 116 ILE CA C 116 56.976 56.976 58.760 -1.784 18152 1964 1 3 . 1 1 116 116 ILE CB C 116 41.420 41.420 41.888 -0.468 18152 1965 1 3 . 1 1 116 116 ILE H H 116 7.830 7.830 8.286 -0.456 18152 1966 1 3 . 1 1 117 117 LEU N N 117 128.504 128.504 129.087 -0.583 18152 1967 1 3 . 1 1 117 117 LEU HA H 117 5.307 5.307 5.077 0.230 18152 1968 1 3 . 1 1 117 117 LEU C C 117 174.488 174.488 175.026 -0.538 18152 1969 1 3 . 1 1 117 117 LEU CA C 117 52.062 52.062 53.188 -1.126 18152 1970 1 3 . 1 1 117 117 LEU CB C 117 45.447 45.447 44.398 1.049 18152 1971 1 3 . 1 1 117 117 LEU H H 117 8.838 8.838 9.054 -0.216 18152 1972 1 3 . 1 1 118 118 THR N N 118 125.436 125.436 123.670 1.766 18152 1973 1 3 . 1 1 118 118 THR HA H 118 5.417 5.417 4.935 0.482 18152 1974 1 3 . 1 1 118 118 THR C C 118 173.169 173.169 172.765 0.404 18152 1975 1 3 . 1 1 118 118 THR CA C 118 60.596 60.596 62.063 -1.467 18152 1976 1 3 . 1 1 118 118 THR CB C 118 68.558 68.558 70.331 -1.773 18152 1977 1 3 . 1 1 118 118 THR H H 118 8.938 8.938 9.222 -0.284 18152 1978 1 3 . 1 1 119 119 LEU N N 119 128.310 128.310 130.785 -2.475 18152 1979 1 3 . 1 1 119 119 LEU HA H 119 5.103 5.103 5.201 -0.098 18152 1980 1 3 . 1 1 119 119 LEU C C 119 174.404 174.404 174.689 -0.285 18152 1981 1 3 . 1 1 119 119 LEU CA C 119 52.439 52.439 53.156 -0.717 18152 1982 1 3 . 1 1 119 119 LEU CB C 119 44.373 44.373 44.781 -0.408 18152 1983 1 3 . 1 1 119 119 LEU H H 119 9.280 9.280 8.944 0.336 18152 1984 1 3 . 1 1 120 120 THR N N 120 117.635 117.635 121.175 -3.540 18152 1985 1 3 . 1 1 120 120 THR HA H 120 5.590 5.590 5.726 -0.136 18152 1986 1 3 . 1 1 120 120 THR C C 120 172.735 172.735 173.868 -1.133 18152 1987 1 3 . 1 1 120 120 THR CA C 120 57.360 57.360 59.767 -2.407 18152 1988 1 3 . 1 1 120 120 THR CB C 120 70.136 70.136 70.925 -0.789 18152 1989 1 3 . 1 1 120 120 THR H H 120 8.640 8.640 9.350 -0.710 18152 1990 1 3 . 1 1 121 121 THR N N 121 116.149 116.149 121.063 -4.914 18152 1991 1 3 . 1 1 121 121 THR HA H 121 4.766 4.766 5.442 -0.676 18152 1992 1 3 . 1 1 121 121 THR C C 121 174.145 174.145 173.209 0.936 18152 1993 1 3 . 1 1 121 121 THR CA C 121 59.550 59.550 59.867 -0.317 18152 1994 1 3 . 1 1 121 121 THR CB C 121 71.701 71.701 71.389 0.312 18152 1995 1 3 . 1 1 121 121 THR H H 121 8.374 8.374 8.385 -0.011 18152 1996 1 3 . 1 1 123 123 TYR N N 123 121.847 121.847 120.309 1.538 18152 1997 1 3 . 1 1 123 123 TYR H H 123 7.461 7.461 8.477 -1.016 18152 1998 1 3 . 1 1 125 125 PHE N N 125 120.754 120.754 118.479 2.275 18152 1999 1 3 . 1 1 125 125 PHE HA H 125 4.420 4.420 4.263 0.157 18152 2000 1 3 . 1 1 125 125 PHE C C 125 176.083 176.083 176.326 -0.243 18152 2001 1 3 . 1 1 125 125 PHE CA C 125 58.918 58.918 60.360 -1.442 18152 2002 1 3 . 1 1 125 125 PHE CB C 125 38.624 38.624 38.467 0.158 18152 2003 1 3 . 1 1 125 125 PHE H H 125 7.334 7.334 8.596 -1.262 18152 2004 1 3 . 1 1 126 126 ASP N N 126 114.938 114.938 118.207 -3.269 18152 2005 1 3 . 1 1 126 126 ASP HA H 126 4.548 4.548 4.479 0.069 18152 2006 1 3 . 1 1 126 126 ASP C C 126 175.285 175.285 176.652 -1.367 18152 2007 1 3 . 1 1 126 126 ASP CA C 126 51.974 51.974 52.844 -0.870 18152 2008 1 3 . 1 1 126 126 ASP CB C 126 39.454 39.454 39.517 -0.063 18152 2009 1 3 . 1 1 126 126 ASP H H 126 8.179 8.179 7.428 0.751 18152 2010 1 3 . 1 1 127 127 TYR N N 127 121.170 121.170 119.610 1.560 18152 2011 1 3 . 1 1 127 127 TYR HA H 127 3.947 3.947 4.100 -0.153 18152 2012 1 3 . 1 1 127 127 TYR C C 127 175.022 175.022 175.698 -0.676 18152 2013 1 3 . 1 1 127 127 TYR CA C 127 58.734 58.734 59.282 -0.548 18152 2014 1 3 . 1 1 127 127 TYR CB C 127 39.330 39.330 38.630 0.701 18152 2015 1 3 . 1 1 127 127 TYR H H 127 7.196 7.196 8.191 -0.995 18152 2016 1 3 . 1 1 128 128 ILE N N 128 127.293 127.293 121.215 6.078 18152 2017 1 3 . 1 1 128 128 ILE HA H 128 4.081 4.081 3.739 0.342 18152 2018 1 3 . 1 1 128 128 ILE C C 128 174.579 174.579 177.037 -2.458 18152 2019 1 3 . 1 1 128 128 ILE CA C 128 60.165 60.165 62.274 -2.109 18152 2020 1 3 . 1 1 128 128 ILE CB C 128 37.120 37.120 36.220 0.900 18152 2021 1 3 . 1 1 128 128 ILE H H 128 7.634 7.634 7.940 -0.306 18152 2022 1 3 . 1 1 129 129 GLY N N 129 114.862 114.862 117.307 -2.445 18152 2023 1 3 . 1 1 129 129 GLY C C 129 172.992 172.992 173.205 -0.213 18152 2024 1 3 . 1 1 129 129 GLY CA C 129 43.458 43.458 45.020 -1.562 18152 2025 1 3 . 1 1 129 129 GLY H H 129 8.150 8.150 8.450 -0.300 18152 2026 1 3 . 1 1 130 130 ASP N N 130 122.165 122.165 125.846 -3.681 18152 2027 1 3 . 1 1 130 130 ASP HA H 130 4.639 4.639 4.470 0.169 18152 2028 1 3 . 1 1 130 130 ASP C C 130 174.579 174.579 175.247 -0.668 18152 2029 1 3 . 1 1 130 130 ASP CA C 130 53.344 53.344 53.184 0.160 18152 2030 1 3 . 1 1 130 130 ASP CB C 130 39.979 39.979 41.527 -1.548 18152 2031 1 3 . 1 1 130 130 ASP H H 130 8.541 8.541 7.970 0.571 18152 2032 1 3 . 1 1 131 131 ALA N N 131 129.087 129.087 126.737 2.350 18152 2033 1 3 . 1 1 131 131 ALA HA H 131 3.673 3.673 4.127 -0.454 18152 2034 1 3 . 1 1 131 131 ALA C C 131 176.791 176.791 176.888 -0.097 18152 2035 1 3 . 1 1 131 131 ALA CA C 131 50.186 50.186 50.605 -0.419 18152 2036 1 3 . 1 1 131 131 ALA CB C 131 17.692 17.692 18.218 -0.526 18152 2037 1 3 . 1 1 131 131 ALA H H 131 8.280 8.280 8.058 0.222 18152 2038 1 3 . 1 1 133 133 ASP N N 133 117.477 117.477 116.432 1.045 18152 2039 1 3 . 1 1 133 133 ASP HA H 133 5.512 5.512 4.715 0.797 18152 2040 1 3 . 1 1 133 133 ASP C C 133 175.988 175.988 174.652 1.336 18152 2041 1 3 . 1 1 133 133 ASP CA C 133 53.067 53.067 53.493 -0.426 18152 2042 1 3 . 1 1 133 133 ASP CB C 133 45.102 45.102 42.702 2.400 18152 2043 1 3 . 1 1 133 133 ASP H H 133 7.355 7.355 7.562 -0.207 18152 2044 1 3 . 1 1 134 134 ARG N N 134 120.986 120.986 123.634 -2.648 18152 2045 1 3 . 1 1 134 134 ARG HA H 134 4.871 4.871 4.558 0.313 18152 2046 1 3 . 1 1 134 134 ARG C C 134 172.288 172.288 174.883 -2.595 18152 2047 1 3 . 1 1 134 134 ARG CA C 134 53.958 53.958 54.420 -0.462 18152 2048 1 3 . 1 1 134 134 ARG CB C 134 33.787 33.787 32.324 1.463 18152 2049 1 3 . 1 1 134 134 ARG H H 134 9.308 9.308 9.059 0.249 18152 2050 1 3 . 1 1 135 135 TYR N N 135 127.342 127.342 125.881 1.461 18152 2051 1 3 . 1 1 135 135 TYR HA H 135 4.037 4.037 4.349 -0.312 18152 2052 1 3 . 1 1 135 135 TYR C C 135 173.811 173.811 174.078 -0.267 18152 2053 1 3 . 1 1 135 135 TYR CA C 135 57.419 57.419 59.496 -2.077 18152 2054 1 3 . 1 1 135 135 TYR CB C 135 40.515 40.515 39.781 0.735 18152 2055 1 3 . 1 1 135 135 TYR H H 135 8.867 8.867 8.964 -0.097 18152 2056 1 3 . 1 1 136 136 ILE N N 136 128.458 128.458 126.294 2.164 18152 2057 1 3 . 1 1 136 136 ILE HA H 136 4.133 4.133 4.584 -0.451 18152 2058 1 3 . 1 1 136 136 ILE C C 136 173.610 173.610 173.936 -0.326 18152 2059 1 3 . 1 1 136 136 ILE CA C 136 58.968 58.968 58.655 0.313 18152 2060 1 3 . 1 1 136 136 ILE CB C 136 40.998 40.998 38.239 2.759 18152 2061 1 3 . 1 1 136 136 ILE H H 136 8.569 8.569 8.384 0.185 18152 2062 1 3 . 1 1 137 137 ILE N N 137 123.623 123.623 128.596 -4.973 18152 2063 1 3 . 1 1 137 137 ILE HA H 137 4.330 4.330 4.187 0.143 18152 2064 1 3 . 1 1 137 137 ILE C C 137 173.524 173.524 174.328 -0.804 18152 2065 1 3 . 1 1 137 137 ILE CA C 137 59.873 59.873 59.140 0.733 18152 2066 1 3 . 1 1 137 137 ILE CB C 137 40.767 40.767 38.162 2.605 18152 2067 1 3 . 1 1 137 137 ILE H H 137 8.263 8.263 8.902 -0.639 18152 2068 1 3 . 1 1 138 138 GLU N N 138 127.009 127.009 129.473 -2.464 18152 2069 1 3 . 1 1 138 138 GLU HA H 138 5.219 5.219 4.939 0.280 18152 2070 1 3 . 1 1 138 138 GLU C C 138 175.383 175.383 174.726 0.657 18152 2071 1 3 . 1 1 138 138 GLU CA C 138 54.895 54.895 54.733 0.162 18152 2072 1 3 . 1 1 138 138 GLU CB C 138 33.904 33.904 32.725 1.179 18152 2073 1 3 . 1 1 138 138 GLU H H 138 9.166 9.166 8.074 1.092 18152 2074 1 3 . 1 1 139 139 ALA N N 139 132.785 132.785 127.725 5.060 18152 2075 1 3 . 1 1 139 139 ALA HA H 139 5.231 5.231 5.438 -0.207 18152 2076 1 3 . 1 1 139 139 ALA C C 139 173.789 173.789 175.034 -1.245 18152 2077 1 3 . 1 1 139 139 ALA CA C 139 50.197 50.197 50.943 -0.746 18152 2078 1 3 . 1 1 139 139 ALA CB C 139 24.262 24.262 23.400 0.862 18152 2079 1 3 . 1 1 139 139 ALA H H 139 10.313 10.313 8.736 1.577 18152 2080 1 3 . 1 1 140 140 LYS N N 140 120.672 120.672 123.179 -2.507 18152 2081 1 3 . 1 1 140 140 LYS HA H 140 5.062 5.062 5.217 -0.155 18152 2082 1 3 . 1 1 140 140 LYS C C 140 175.807 175.807 175.128 0.679 18152 2083 1 3 . 1 1 140 140 LYS CA C 140 54.250 54.250 53.979 0.271 18152 2084 1 3 . 1 1 140 140 LYS CB C 140 34.937 34.937 37.025 -2.088 18152 2085 1 3 . 1 1 140 140 LYS H H 140 8.507 8.507 8.723 -0.216 18152 2086 1 3 . 1 1 141 141 LEU N N 141 126.557 126.557 126.851 -0.294 18152 2087 1 3 . 1 1 141 141 LEU HA H 141 4.107 4.107 3.948 0.159 18152 2088 1 3 . 1 1 141 141 LEU C C 141 177.236 177.236 176.660 0.576 18152 2089 1 3 . 1 1 141 141 LEU CA C 141 56.169 56.169 55.493 0.676 18152 2090 1 3 . 1 1 141 141 LEU CB C 141 42.408 42.408 42.127 0.282 18152 2091 1 3 . 1 1 141 141 LEU H H 141 7.560 7.560 8.298 -0.738 18152 2092 1 3 . 1 1 142 142 THR N N 142 119.454 119.454 120.763 -1.309 18152 2093 1 3 . 1 1 142 142 THR HA H 142 4.522 4.522 4.474 0.048 18152 2094 1 3 . 1 1 142 142 THR C C 142 175.187 175.187 175.214 -0.027 18152 2095 1 3 . 1 1 142 142 THR CA C 142 60.915 60.915 61.645 -0.730 18152 2096 1 3 . 1 1 142 142 THR CB C 142 69.490 69.490 70.319 -0.829 18152 2097 1 3 . 1 1 142 142 THR H H 142 9.562 9.562 9.028 0.534 18152 2098 1 3 . 1 1 143 143 GLY N N 143 109.946 109.946 108.809 1.137 18152 2099 1 3 . 1 1 143 143 GLY C C 143 170.713 170.713 171.813 -1.100 18152 2100 1 3 . 1 1 143 143 GLY CA C 143 45.254 45.254 43.714 1.540 18152 2101 1 3 . 1 1 143 143 GLY H H 143 7.513 7.513 7.484 0.029 18152 2102 1 3 . 1 1 144 144 SER N N 144 112.778 112.778 112.310 0.468 18152 2103 1 3 . 1 1 144 144 SER HA H 144 5.059 5.059 4.679 0.380 18152 2104 1 3 . 1 1 144 144 SER C C 144 173.178 173.178 171.968 1.210 18152 2105 1 3 . 1 1 144 144 SER CA C 144 56.393 56.393 56.828 -0.435 18152 2106 1 3 . 1 1 144 144 SER CB C 144 65.587 65.587 66.020 -0.433 18152 2107 1 3 . 1 1 144 144 SER H H 144 7.877 7.877 7.775 0.102 18152 2108 1 3 . 1 1 145 145 TYR N N 145 119.351 119.351 118.586 0.765 18152 2109 1 3 . 1 1 145 145 TYR HA H 145 4.755 4.755 4.697 0.058 18152 2110 1 3 . 1 1 145 145 TYR C C 145 174.580 174.580 174.040 0.540 18152 2111 1 3 . 1 1 145 145 TYR CA C 145 56.413 56.413 56.853 -0.440 18152 2112 1 3 . 1 1 145 145 TYR CB C 145 40.096 40.096 43.433 -3.337 18152 2113 1 3 . 1 1 145 145 TYR H H 145 8.374 8.374 8.319 0.055 18152 2114 1 3 . 1 1 146 146 SER N N 146 117.533 117.533 115.822 1.711 18152 2115 1 3 . 1 1 146 146 SER HA H 146 4.564 4.564 4.809 -0.245 18152 2116 1 3 . 1 1 146 146 SER CA C 146 58.000 58.000 57.251 0.749 18152 2117 1 3 . 1 1 146 146 SER CB C 146 63.905 63.905 65.441 -1.536 18152 2118 1 3 . 1 1 146 146 SER H H 146 8.502 8.502 8.506 -0.004 18152 2119 1 4 . 1 1 7 7 GLN N N 7 122.485 122.485 120.040 2.445 18152 2120 1 4 . 1 1 7 7 GLN CA C 7 55.218 55.218 55.809 -0.591 18152 2121 1 4 . 1 1 7 7 GLN CB C 7 28.842 28.842 30.257 -1.415 18152 2122 1 4 . 1 1 7 7 GLN H H 7 8.175 8.175 8.182 -0.007 18152 2123 1 4 . 1 1 8 8 THR N N 8 115.244 115.244 115.130 0.114 18152 2124 1 4 . 1 1 8 8 THR HA H 8 4.189 4.189 4.589 -0.400 18152 2125 1 4 . 1 1 8 8 THR C C 8 173.961 173.961 174.652 -0.691 18152 2126 1 4 . 1 1 8 8 THR CA C 8 61.486 61.486 61.671 -0.185 18152 2127 1 4 . 1 1 8 8 THR CB C 8 69.316 69.316 69.570 -0.254 18152 2128 1 4 . 1 1 8 8 THR H H 8 8.027 8.027 8.464 -0.437 18152 2129 1 4 . 1 1 9 9 GLU N N 9 123.496 123.496 121.157 2.339 18152 2130 1 4 . 1 1 9 9 GLU HA H 9 4.060 4.060 4.364 -0.304 18152 2131 1 4 . 1 1 9 9 GLU C C 9 175.555 175.555 176.056 -0.501 18152 2132 1 4 . 1 1 9 9 GLU CA C 9 55.868 55.868 56.519 -0.651 18152 2133 1 4 . 1 1 9 9 GLU CB C 9 29.611 29.611 30.598 -0.987 18152 2134 1 4 . 1 1 9 9 GLU H H 9 8.225 8.225 8.355 -0.130 18152 2135 1 4 . 1 1 10 10 HIS N N 10 119.084 119.084 118.635 0.449 18152 2136 1 4 . 1 1 10 10 HIS HA H 10 4.384 4.384 4.455 -0.071 18152 2137 1 4 . 1 1 10 10 HIS C C 10 173.742 173.742 174.256 -0.514 18152 2138 1 4 . 1 1 10 10 HIS CA C 10 53.932 53.932 55.176 -1.244 18152 2139 1 4 . 1 1 10 10 HIS CB C 10 28.922 28.922 28.951 -0.028 18152 2140 1 4 . 1 1 10 10 HIS H H 10 7.357 7.357 8.615 -1.258 18152 2141 1 4 . 1 1 11 11 LYS N N 11 121.509 121.509 120.823 0.686 18152 2142 1 4 . 1 1 11 11 LYS HA H 11 4.469 4.469 4.239 0.230 18152 2143 1 4 . 1 1 11 11 LYS C C 11 176.210 176.210 177.102 -0.892 18152 2144 1 4 . 1 1 11 11 LYS CA C 11 54.245 54.245 56.001 -1.756 18152 2145 1 4 . 1 1 11 11 LYS CB C 11 33.548 33.548 33.092 0.457 18152 2146 1 4 . 1 1 11 11 LYS H H 11 8.409 8.409 7.944 0.465 18152 2147 1 4 . 1 1 12 12 GLU N N 12 123.025 123.025 119.644 3.381 18152 2148 1 4 . 1 1 12 12 GLU HA H 12 4.240 4.240 4.695 -0.455 18152 2149 1 4 . 1 1 12 12 GLU C C 12 178.023 178.023 177.814 0.209 18152 2150 1 4 . 1 1 12 12 GLU CA C 12 58.350 58.350 56.887 1.463 18152 2151 1 4 . 1 1 12 12 GLU CB C 12 29.254 29.254 30.272 -1.018 18152 2152 1 4 . 1 1 12 12 GLU H H 12 8.929 8.929 8.361 0.568 18152 2153 1 4 . 1 1 13 13 GLY N N 13 113.216 113.216 112.165 1.051 18152 2154 1 4 . 1 1 13 13 GLY C C 13 174.141 174.141 173.685 0.456 18152 2155 1 4 . 1 1 13 13 GLY CA C 13 45.243 45.243 45.389 -0.146 18152 2156 1 4 . 1 1 13 13 GLY H H 13 9.714 9.714 9.311 0.403 18152 2157 1 4 . 1 1 14 14 GLU N N 14 120.782 120.782 118.823 1.959 18152 2158 1 4 . 1 1 14 14 GLU HA H 14 4.472 4.472 4.798 -0.326 18152 2159 1 4 . 1 1 14 14 GLU C C 14 176.436 176.436 175.535 0.901 18152 2160 1 4 . 1 1 14 14 GLU CA C 14 55.641 55.641 53.889 1.752 18152 2161 1 4 . 1 1 14 14 GLU CB C 14 30.989 30.989 31.872 -0.883 18152 2162 1 4 . 1 1 14 14 GLU H H 14 8.289 8.289 7.750 0.539 18152 2163 1 4 . 1 1 15 15 LYS N N 15 125.126 125.126 127.216 -2.090 18152 2164 1 4 . 1 1 15 15 LYS HA H 15 4.100 4.100 3.580 0.520 18152 2165 1 4 . 1 1 15 15 LYS C C 15 176.970 176.970 176.399 0.571 18152 2166 1 4 . 1 1 15 15 LYS CA C 15 57.098 57.098 57.327 -0.229 18152 2167 1 4 . 1 1 15 15 LYS CB C 15 31.680 31.680 31.712 -0.032 18152 2168 1 4 . 1 1 15 15 LYS H H 15 8.978 8.978 8.954 0.024 18152 2169 1 4 . 1 1 16 16 VAL N N 16 119.214 119.214 121.952 -2.738 18152 2170 1 4 . 1 1 16 16 VAL HA H 16 4.572 4.572 4.162 0.410 18152 2171 1 4 . 1 1 16 16 VAL C C 16 174.148 174.148 174.109 0.039 18152 2172 1 4 . 1 1 16 16 VAL CA C 16 60.141 60.141 61.283 -1.142 18152 2173 1 4 . 1 1 16 16 VAL CB C 16 34.881 34.881 33.221 1.661 18152 2174 1 4 . 1 1 16 16 VAL H H 16 8.976 8.976 8.202 0.774 18152 2175 1 4 . 1 1 17 17 ALA N N 17 121.368 121.368 120.087 1.281 18152 2176 1 4 . 1 1 17 17 ALA HA H 17 5.186 5.186 4.983 0.203 18152 2177 1 4 . 1 1 17 17 ALA C C 17 174.664 174.664 174.731 -0.067 18152 2178 1 4 . 1 1 17 17 ALA CA C 17 51.098 51.098 50.281 0.817 18152 2179 1 4 . 1 1 17 17 ALA CB C 17 22.853 22.853 22.387 0.466 18152 2180 1 4 . 1 1 17 17 ALA H H 17 8.069 8.069 7.524 0.545 18152 2181 1 4 . 1 1 18 18 MET N N 18 116.475 116.475 119.841 -3.366 18152 2182 1 4 . 1 1 18 18 MET HA H 18 5.303 5.303 5.043 0.260 18152 2183 1 4 . 1 1 18 18 MET C C 18 174.413 174.413 173.917 0.496 18152 2184 1 4 . 1 1 18 18 MET CA C 18 53.607 53.607 54.527 -0.920 18152 2185 1 4 . 1 1 18 18 MET CB C 18 35.038 35.038 37.217 -2.179 18152 2186 1 4 . 1 1 18 18 MET H H 18 8.142 8.142 8.373 -0.231 18152 2187 1 4 . 1 1 19 19 LEU N N 19 126.244 126.244 126.164 0.080 18152 2188 1 4 . 1 1 19 19 LEU HA H 19 5.268 5.268 5.331 -0.063 18152 2189 1 4 . 1 1 19 19 LEU C C 19 173.617 173.617 174.268 -0.651 18152 2190 1 4 . 1 1 19 19 LEU CA C 19 52.851 52.851 53.412 -0.561 18152 2191 1 4 . 1 1 19 19 LEU CB C 19 44.705 44.705 45.133 -0.428 18152 2192 1 4 . 1 1 19 19 LEU H H 19 9.369 9.369 9.436 -0.067 18152 2193 1 4 . 1 1 20 20 ASN N N 20 126.596 126.596 125.545 1.051 18152 2194 1 4 . 1 1 20 20 ASN HA H 20 5.340 5.340 5.340 -0.000 18152 2195 1 4 . 1 1 20 20 ASN C C 20 174.316 174.316 173.611 0.705 18152 2196 1 4 . 1 1 20 20 ASN CA C 20 51.344 51.344 52.094 -0.750 18152 2197 1 4 . 1 1 20 20 ASN CB C 20 40.972 40.972 42.261 -1.289 18152 2198 1 4 . 1 1 20 20 ASN H H 20 10.032 10.032 9.210 0.822 18152 2199 1 4 . 1 1 21 21 ILE N N 21 123.799 123.799 125.057 -1.258 18152 2200 1 4 . 1 1 21 21 ILE HA H 21 4.829 4.829 4.943 -0.114 18152 2201 1 4 . 1 1 21 21 ILE C C 21 174.409 174.409 174.593 -0.184 18152 2202 1 4 . 1 1 21 21 ILE CA C 21 58.243 58.243 57.912 0.331 18152 2203 1 4 . 1 1 21 21 ILE CB C 21 37.477 37.477 39.972 -2.495 18152 2204 1 4 . 1 1 21 21 ILE H H 21 8.614 8.614 9.185 -0.571 18152 2205 1 4 . 1 1 22 22 PRO HA H 22 4.178 4.178 4.419 -0.241 18152 2206 1 4 . 1 1 22 22 PRO CA C 22 65.629 65.629 65.260 0.369 18152 2207 1 4 . 1 1 22 22 PRO CB C 22 31.806 31.806 32.123 -0.317 18152 2208 1 4 . 1 1 23 23 LYS N N 23 118.170 118.170 118.566 -0.396 18152 2209 1 4 . 1 1 23 23 LYS HA H 23 3.943 3.943 4.115 -0.172 18152 2210 1 4 . 1 1 23 23 LYS C C 23 177.231 177.231 177.369 -0.138 18152 2211 1 4 . 1 1 23 23 LYS CA C 23 58.643 58.643 58.890 -0.247 18152 2212 1 4 . 1 1 23 23 LYS CB C 23 33.171 33.171 32.458 0.713 18152 2213 1 4 . 1 1 23 23 LYS H H 23 9.365 9.365 8.426 0.939 18152 2214 1 4 . 1 1 24 24 LEU N N 24 111.984 111.984 117.204 -5.220 18152 2215 1 4 . 1 1 24 24 LEU HA H 24 4.319 4.319 4.444 -0.125 18152 2216 1 4 . 1 1 24 24 LEU C C 24 175.562 175.562 176.374 -0.812 18152 2217 1 4 . 1 1 24 24 LEU CA C 24 52.965 52.965 54.295 -1.330 18152 2218 1 4 . 1 1 24 24 LEU CB C 24 42.473 42.473 42.089 0.384 18152 2219 1 4 . 1 1 24 24 LEU H H 24 6.919 6.919 7.895 -0.976 18152 2220 1 4 . 1 1 25 25 LYS N N 25 115.814 115.814 116.575 -0.761 18152 2221 1 4 . 1 1 25 25 LYS HA H 25 3.849 3.849 4.043 -0.194 18152 2222 1 4 . 1 1 25 25 LYS C C 25 175.297 175.297 175.409 -0.112 18152 2223 1 4 . 1 1 25 25 LYS CA C 25 56.598 56.598 57.370 -0.772 18152 2224 1 4 . 1 1 25 25 LYS CB C 25 28.918 28.918 29.557 -0.639 18152 2225 1 4 . 1 1 25 25 LYS H H 25 7.912 7.912 7.781 0.131 18152 2226 1 4 . 1 1 26 26 LYS N N 26 115.145 115.145 117.303 -2.158 18152 2227 1 4 . 1 1 26 26 LYS HA H 26 4.559 4.559 4.497 0.062 18152 2228 1 4 . 1 1 26 26 LYS C C 26 173.961 173.961 173.939 0.022 18152 2229 1 4 . 1 1 26 26 LYS CA C 26 53.788 53.788 54.133 -0.345 18152 2230 1 4 . 1 1 26 26 LYS CB C 26 37.483 37.483 36.354 1.129 18152 2231 1 4 . 1 1 26 26 LYS H H 26 6.765 6.765 8.488 -1.723 18152 2232 1 4 . 1 1 27 27 LYS N N 27 119.758 119.758 118.083 1.675 18152 2233 1 4 . 1 1 27 27 LYS HA H 27 5.452 5.452 5.014 0.438 18152 2234 1 4 . 1 1 27 27 LYS C C 27 175.482 175.482 174.399 1.083 18152 2235 1 4 . 1 1 27 27 LYS CA C 27 53.883 53.883 55.166 -1.283 18152 2236 1 4 . 1 1 27 27 LYS CB C 27 35.855 35.855 35.995 -0.140 18152 2237 1 4 . 1 1 27 27 LYS H H 27 7.885 7.885 7.571 0.314 18152 2238 1 4 . 1 1 28 28 PHE N N 28 119.077 119.077 118.781 0.296 18152 2239 1 4 . 1 1 28 28 PHE HA H 28 4.871 4.871 4.889 -0.018 18152 2240 1 4 . 1 1 28 28 PHE C C 28 175.477 175.477 174.022 1.455 18152 2241 1 4 . 1 1 28 28 PHE CA C 28 56.100 56.100 56.704 -0.604 18152 2242 1 4 . 1 1 28 28 PHE CB C 28 42.734 42.734 43.219 -0.485 18152 2243 1 4 . 1 1 28 28 PHE H H 28 9.397 9.397 9.269 0.128 18152 2244 1 4 . 1 1 29 29 SER N N 29 121.189 121.189 117.574 3.615 18152 2245 1 4 . 1 1 29 29 SER HA H 29 4.848 4.848 4.651 0.197 18152 2246 1 4 . 1 1 29 29 SER C C 29 172.010 172.010 173.290 -1.280 18152 2247 1 4 . 1 1 29 29 SER CA C 29 59.961 59.961 57.920 2.041 18152 2248 1 4 . 1 1 29 29 SER CB C 29 64.433 64.433 63.893 0.540 18152 2249 1 4 . 1 1 29 29 SER H H 29 9.010 9.010 8.775 0.235 18152 2250 1 4 . 1 1 30 30 ILE N N 30 120.881 120.881 125.848 -4.967 18152 2251 1 4 . 1 1 30 30 ILE HA H 30 4.942 4.942 4.259 0.683 18152 2252 1 4 . 1 1 30 30 ILE C C 30 174.874 174.874 175.286 -0.412 18152 2253 1 4 . 1 1 30 30 ILE CA C 30 57.775 57.775 59.532 -1.756 18152 2254 1 4 . 1 1 30 30 ILE CB C 30 38.001 38.001 37.514 0.487 18152 2255 1 4 . 1 1 30 30 ILE H H 30 8.084 8.084 8.800 -0.716 18152 2256 1 4 . 1 1 31 31 TYR N N 31 127.573 127.573 126.471 1.102 18152 2257 1 4 . 1 1 31 31 TYR HA H 31 5.299 5.299 4.920 0.379 18152 2258 1 4 . 1 1 31 31 TYR C C 31 174.806 174.806 175.293 -0.487 18152 2259 1 4 . 1 1 31 31 TYR CA C 31 56.120 56.120 56.404 -0.284 18152 2260 1 4 . 1 1 31 31 TYR CB C 31 41.139 41.139 41.067 0.072 18152 2261 1 4 . 1 1 31 31 TYR H H 31 9.174 9.174 8.324 0.850 18152 2262 1 4 . 1 1 32 32 TRP N N 32 121.993 121.993 124.816 -2.823 18152 2263 1 4 . 1 1 32 32 TRP HA H 32 4.583 4.583 4.533 0.050 18152 2264 1 4 . 1 1 32 32 TRP C C 32 175.194 175.194 175.874 -0.680 18152 2265 1 4 . 1 1 32 32 TRP CA C 32 57.396 57.396 59.504 -2.108 18152 2266 1 4 . 1 1 32 32 TRP CB C 32 29.670 29.670 30.373 -0.704 18152 2267 1 4 . 1 1 32 32 TRP H H 32 9.007 9.007 8.988 0.019 18152 2268 1 4 . 1 1 33 33 GLY N N 33 120.470 120.470 112.637 7.833 18152 2269 1 4 . 1 1 33 33 GLY C C 33 171.936 171.936 171.784 0.152 18152 2270 1 4 . 1 1 33 33 GLY CA C 33 44.532 44.532 44.208 0.324 18152 2271 1 4 . 1 1 33 33 GLY H H 33 7.758 7.758 7.406 0.352 18152 2272 1 4 . 1 1 34 34 ALA N N 34 120.239 120.239 123.291 -3.052 18152 2273 1 4 . 1 1 34 34 ALA HA H 34 4.447 4.447 4.367 0.080 18152 2274 1 4 . 1 1 34 34 ALA C C 34 176.174 176.174 175.506 0.668 18152 2275 1 4 . 1 1 34 34 ALA CA C 34 49.913 49.913 51.794 -1.881 18152 2276 1 4 . 1 1 34 34 ALA CB C 34 18.955 18.955 20.848 -1.893 18152 2277 1 4 . 1 1 34 34 ALA H H 34 7.883 7.883 7.886 -0.003 18152 2278 1 4 . 1 1 35 35 ASP N N 35 118.828 118.828 126.064 -7.236 18152 2279 1 4 . 1 1 35 35 ASP HA H 35 4.450 4.450 4.560 -0.110 18152 2280 1 4 . 1 1 35 35 ASP C C 35 175.990 175.990 176.117 -0.127 18152 2281 1 4 . 1 1 35 35 ASP CA C 35 53.030 53.030 53.812 -0.782 18152 2282 1 4 . 1 1 35 35 ASP CB C 35 41.508 41.508 41.875 -0.367 18152 2283 1 4 . 1 1 35 35 ASP H H 35 7.944 7.944 8.419 -0.475 18152 2284 1 4 . 1 1 36 36 ASP N N 36 121.051 121.051 123.928 -2.877 18152 2285 1 4 . 1 1 36 36 ASP HA H 36 4.335 4.335 4.321 0.014 18152 2286 1 4 . 1 1 36 36 ASP C C 36 177.296 177.296 177.362 -0.066 18152 2287 1 4 . 1 1 36 36 ASP CA C 36 55.183 55.183 56.789 -1.606 18152 2288 1 4 . 1 1 36 36 ASP CB C 36 39.837 39.837 41.006 -1.169 18152 2289 1 4 . 1 1 36 36 ASP H H 36 8.509 8.509 8.517 -0.008 18152 2290 1 4 . 1 1 37 37 ALA N N 37 119.568 119.568 119.894 -0.326 18152 2291 1 4 . 1 1 37 37 ALA HA H 37 4.060 4.060 4.170 -0.110 18152 2292 1 4 . 1 1 37 37 ALA C C 37 179.598 179.598 177.403 2.195 18152 2293 1 4 . 1 1 37 37 ALA CA C 37 53.967 53.967 53.882 0.085 18152 2294 1 4 . 1 1 37 37 ALA CB C 37 18.009 18.009 18.502 -0.493 18152 2295 1 4 . 1 1 37 37 ALA H H 37 8.169 8.169 8.160 0.009 18152 2296 1 4 . 1 1 38 38 THR HA H 38 3.850 3.850 4.292 -0.442 18152 2297 1 4 . 1 1 38 38 THR CA C 38 68.437 68.437 61.092 7.346 18152 2298 1 4 . 1 1 38 38 THR CB C 38 72.916 72.916 67.781 5.136 18152 2299 1 4 . 1 1 38 38 THR H H 38 7.621 7.621 7.714 -0.093 18152 2300 1 4 . 1 1 42 42 GLY N N 42 106.310 106.310 108.291 -1.981 18152 2301 1 4 . 1 1 42 42 GLY CA C 42 46.480 46.480 46.180 0.300 18152 2302 1 4 . 1 1 43 43 VAL N N 43 121.961 121.961 115.374 6.587 18152 2303 1 4 . 1 1 43 43 VAL HA H 43 4.481 4.481 4.912 -0.431 18152 2304 1 4 . 1 1 43 43 VAL C C 43 174.308 174.308 174.647 -0.339 18152 2305 1 4 . 1 1 43 43 VAL CA C 43 61.079 61.079 59.347 1.732 18152 2306 1 4 . 1 1 43 43 VAL CB C 43 32.911 32.911 31.828 1.083 18152 2307 1 4 . 1 1 43 43 VAL H H 43 8.247 8.247 7.326 0.921 18152 2308 1 4 . 1 1 44 44 GLY N N 44 114.325 114.325 113.436 0.889 18152 2309 1 4 . 1 1 44 44 GLY C C 44 172.465 172.465 172.098 0.367 18152 2310 1 4 . 1 1 44 44 GLY CA C 44 43.458 43.458 43.117 0.341 18152 2311 1 4 . 1 1 44 44 GLY H H 44 9.063 9.063 8.695 0.368 18152 2312 1 4 . 1 1 45 45 MET N N 45 125.031 125.031 123.783 1.248 18152 2313 1 4 . 1 1 45 45 MET HA H 45 4.742 4.742 5.044 -0.302 18152 2314 1 4 . 1 1 45 45 MET C C 45 173.873 173.873 174.106 -0.233 18152 2315 1 4 . 1 1 45 45 MET CA C 45 54.084 54.084 52.630 1.454 18152 2316 1 4 . 1 1 45 45 MET CB C 45 34.548 34.548 34.978 -0.430 18152 2317 1 4 . 1 1 45 45 MET H H 45 8.966 8.966 8.636 0.330 18152 2318 1 4 . 1 1 46 46 PHE N N 46 127.637 127.637 126.626 1.011 18152 2319 1 4 . 1 1 46 46 PHE HA H 46 3.611 3.611 4.342 -0.731 18152 2320 1 4 . 1 1 46 46 PHE C C 46 175.023 175.023 174.178 0.845 18152 2321 1 4 . 1 1 46 46 PHE CA C 46 59.286 59.286 58.566 0.721 18152 2322 1 4 . 1 1 46 46 PHE CB C 46 40.644 40.644 40.251 0.394 18152 2323 1 4 . 1 1 46 46 PHE H H 46 8.790 8.790 8.074 0.716 18152 2324 1 4 . 1 1 47 47 VAL N N 47 130.695 130.695 128.128 2.567 18152 2325 1 4 . 1 1 47 47 VAL HA H 47 3.663 3.663 4.026 -0.363 18152 2326 1 4 . 1 1 47 47 VAL C C 47 174.235 174.235 174.941 -0.706 18152 2327 1 4 . 1 1 47 47 VAL CA C 47 61.455 61.455 62.192 -0.737 18152 2328 1 4 . 1 1 47 47 VAL CB C 47 32.002 32.002 32.968 -0.966 18152 2329 1 4 . 1 1 47 47 VAL H H 47 7.942 7.942 7.960 -0.018 18152 2330 1 4 . 1 1 48 48 SER N N 48 120.391 120.391 121.545 -1.154 18152 2331 1 4 . 1 1 48 48 SER HA H 48 4.626 4.626 4.756 -0.130 18152 2332 1 4 . 1 1 48 48 SER C C 48 173.167 173.167 172.970 0.197 18152 2333 1 4 . 1 1 48 48 SER CA C 48 57.384 57.384 57.369 0.015 18152 2334 1 4 . 1 1 48 48 SER CB C 48 65.720 65.720 66.241 -0.521 18152 2335 1 4 . 1 1 48 48 SER H H 48 7.971 7.971 8.819 -0.849 18152 2336 1 4 . 1 1 49 49 ASP N N 49 117.498 117.498 120.727 -3.229 18152 2337 1 4 . 1 1 49 49 ASP HA H 49 4.603 4.603 4.606 -0.003 18152 2338 1 4 . 1 1 49 49 ASP C C 49 174.539 174.539 176.769 -2.230 18152 2339 1 4 . 1 1 49 49 ASP CA C 49 55.222 55.222 55.589 -0.367 18152 2340 1 4 . 1 1 49 49 ASP CB C 49 40.206 40.206 41.264 -1.058 18152 2341 1 4 . 1 1 49 49 ASP H H 49 8.701 8.701 8.774 -0.073 18152 2342 1 4 . 1 1 50 50 VAL N N 50 109.465 109.465 110.844 -1.379 18152 2343 1 4 . 1 1 50 50 VAL HA H 50 4.455 4.455 4.305 0.150 18152 2344 1 4 . 1 1 50 50 VAL C C 50 174.487 174.487 175.277 -0.790 18152 2345 1 4 . 1 1 50 50 VAL CA C 50 60.840 60.840 62.423 -1.583 18152 2346 1 4 . 1 1 50 50 VAL CB C 50 32.067 32.067 32.483 -0.416 18152 2347 1 4 . 1 1 50 50 VAL H H 50 7.770 7.770 7.690 0.080 18152 2348 1 4 . 1 1 51 51 THR N N 51 110.572 110.572 113.360 -2.788 18152 2349 1 4 . 1 1 51 51 THR HA H 51 5.293 5.293 4.442 0.851 18152 2350 1 4 . 1 1 51 51 THR C C 51 174.591 174.591 175.094 -0.503 18152 2351 1 4 . 1 1 51 51 THR CA C 51 58.487 58.487 60.724 -2.237 18152 2352 1 4 . 1 1 51 51 THR CB C 51 71.674 71.674 69.711 1.963 18152 2353 1 4 . 1 1 51 51 THR H H 51 7.095 7.095 7.313 -0.218 18152 2354 1 4 . 1 1 52 52 THR N N 52 109.706 109.706 116.780 -7.074 18152 2355 1 4 . 1 1 52 52 THR HA H 52 4.988 4.988 4.907 0.081 18152 2356 1 4 . 1 1 52 52 THR C C 52 177.060 177.060 174.070 2.990 18152 2357 1 4 . 1 1 52 52 THR CA C 52 59.777 59.777 60.048 -0.271 18152 2358 1 4 . 1 1 52 52 THR CB C 52 72.911 72.911 72.300 0.611 18152 2359 1 4 . 1 1 52 52 THR H H 52 8.836 8.836 9.106 -0.270 18152 2360 1 4 . 1 1 53 53 THR N N 53 113.970 113.970 112.571 1.399 18152 2361 1 4 . 1 1 53 53 THR HA H 53 4.601 4.601 4.772 -0.171 18152 2362 1 4 . 1 1 53 53 THR C C 53 176.085 176.085 173.586 2.499 18152 2363 1 4 . 1 1 53 53 THR CA C 53 60.920 60.920 58.647 2.273 18152 2364 1 4 . 1 1 53 53 THR CB C 53 67.192 67.192 69.871 -2.679 18152 2365 1 4 . 1 1 53 53 THR H H 53 8.857 8.857 8.405 0.452 18152 2366 1 4 . 1 1 54 54 PRO HA H 54 4.023 4.023 4.549 -0.526 18152 2367 1 4 . 1 1 54 54 PRO CA C 54 64.658 64.658 62.739 1.919 18152 2368 1 4 . 1 1 54 54 PRO CB C 54 29.665 29.665 30.134 -0.469 18152 2369 1 4 . 1 1 55 55 SER N N 55 105.932 105.932 115.351 -9.419 18152 2370 1 4 . 1 1 55 55 SER HA H 55 4.448 4.448 4.283 0.165 18152 2371 1 4 . 1 1 55 55 SER C C 55 176.253 176.253 173.955 2.298 18152 2372 1 4 . 1 1 55 55 SER CA C 55 58.086 58.086 57.660 0.426 18152 2373 1 4 . 1 1 55 55 SER CB C 55 62.950 62.950 64.711 -1.761 18152 2374 1 4 . 1 1 55 55 SER H H 55 6.879 6.879 7.899 -1.020 18152 2375 1 4 . 1 1 56 56 GLY N N 56 109.826 109.826 109.645 0.181 18152 2376 1 4 . 1 1 56 56 GLY C C 56 175.832 175.832 174.125 1.707 18152 2377 1 4 . 1 1 56 56 GLY CA C 56 45.213 45.213 45.533 -0.320 18152 2378 1 4 . 1 1 56 56 GLY H H 56 7.733 7.733 7.379 0.354 18152 2379 1 4 . 1 1 57 57 GLY N N 57 105.805 105.805 110.840 -5.035 18152 2380 1 4 . 1 1 57 57 GLY C C 57 172.905 172.905 173.525 -0.620 18152 2381 1 4 . 1 1 57 57 GLY CA C 57 46.480 46.480 45.587 0.893 18152 2382 1 4 . 1 1 57 57 GLY H H 57 7.481 7.481 8.672 -1.191 18152 2383 1 4 . 1 1 58 58 GLY N N 58 109.086 109.086 108.251 0.835 18152 2384 1 4 . 1 1 58 58 GLY C C 58 172.807 172.807 172.705 0.102 18152 2385 1 4 . 1 1 58 58 GLY CA C 58 43.642 43.642 44.507 -0.865 18152 2386 1 4 . 1 1 58 58 GLY H H 58 7.549 7.549 7.844 -0.295 18152 2387 1 4 . 1 1 59 59 HIS N N 59 127.776 127.776 122.953 4.823 18152 2388 1 4 . 1 1 59 59 HIS HA H 59 5.162 5.162 4.677 0.485 18152 2389 1 4 . 1 1 59 59 HIS C C 59 174.930 174.930 174.388 0.542 18152 2390 1 4 . 1 1 59 59 HIS CA C 59 52.820 52.820 55.181 -2.361 18152 2391 1 4 . 1 1 59 59 HIS CB C 59 30.250 30.250 30.202 0.048 18152 2392 1 4 . 1 1 59 59 HIS H H 59 9.517 9.517 9.093 0.424 18152 2393 1 4 . 1 1 60 60 THR N N 60 127.768 127.768 125.758 2.010 18152 2394 1 4 . 1 1 60 60 THR HA H 60 4.870 4.870 5.045 -0.175 18152 2395 1 4 . 1 1 60 60 THR C C 60 171.847 171.847 172.997 -1.150 18152 2396 1 4 . 1 1 60 60 THR CA C 60 61.358 61.358 62.598 -1.240 18152 2397 1 4 . 1 1 60 60 THR CB C 60 69.821 69.821 69.590 0.231 18152 2398 1 4 . 1 1 60 60 THR H H 60 9.769 9.769 9.245 0.524 18152 2399 1 4 . 1 1 61 61 VAL N N 61 126.493 126.493 127.859 -1.366 18152 2400 1 4 . 1 1 61 61 VAL HA H 61 4.641 4.641 4.996 -0.355 18152 2401 1 4 . 1 1 61 61 VAL C C 61 173.794 173.794 174.174 -0.380 18152 2402 1 4 . 1 1 61 61 VAL CA C 61 59.808 59.808 60.835 -1.027 18152 2403 1 4 . 1 1 61 61 VAL CB C 61 33.334 33.334 33.272 0.062 18152 2404 1 4 . 1 1 61 61 VAL H H 61 8.534 8.534 8.574 -0.040 18152 2405 1 4 . 1 1 62 62 LEU N N 62 126.342 126.342 128.149 -1.807 18152 2406 1 4 . 1 1 62 62 LEU HA H 62 5.345 5.345 5.248 0.097 18152 2407 1 4 . 1 1 62 62 LEU C C 62 175.554 175.554 175.516 0.038 18152 2408 1 4 . 1 1 62 62 LEU CA C 62 51.143 51.143 52.973 -1.830 18152 2409 1 4 . 1 1 62 62 LEU CB C 62 43.344 43.344 45.360 -2.016 18152 2410 1 4 . 1 1 62 62 LEU H H 62 9.284 9.284 9.366 -0.082 18152 2411 1 4 . 1 1 63 63 SER N N 63 116.370 116.370 116.002 0.368 18152 2412 1 4 . 1 1 63 63 SER HA H 63 5.328 5.328 5.856 -0.528 18152 2413 1 4 . 1 1 63 63 SER C C 63 174.576 174.576 173.468 1.108 18152 2414 1 4 . 1 1 63 63 SER CA C 63 54.893 54.893 55.968 -1.075 18152 2415 1 4 . 1 1 63 63 SER CB C 63 64.901 64.901 65.128 -0.227 18152 2416 1 4 . 1 1 63 63 SER H H 63 9.117 9.117 8.728 0.389 18152 2417 1 4 . 1 1 64 64 GLY N N 64 111.783 111.783 111.965 -0.182 18152 2418 1 4 . 1 1 64 64 GLY C C 64 173.058 173.058 171.293 1.765 18152 2419 1 4 . 1 1 64 64 GLY CA C 64 45.547 45.547 44.993 0.554 18152 2420 1 4 . 1 1 64 64 GLY H H 64 8.723 8.723 8.226 0.497 18152 2421 1 4 . 1 1 74 74 GLY C C 74 173.703 173.703 175.892 -2.189 18152 2422 1 4 . 1 1 74 74 GLY CA C 74 45.507 45.507 46.095 -0.588 18152 2423 1 4 . 1 1 75 75 GLN N N 75 116.093 116.093 119.529 -3.436 18152 2424 1 4 . 1 1 75 75 GLN HA H 75 4.229 4.229 4.181 0.048 18152 2425 1 4 . 1 1 75 75 GLN C C 75 177.319 177.319 176.344 0.975 18152 2426 1 4 . 1 1 75 75 GLN CA C 75 56.016 56.016 58.044 -2.028 18152 2427 1 4 . 1 1 75 75 GLN CB C 75 29.310 29.310 29.413 -0.103 18152 2428 1 4 . 1 1 75 75 GLN H H 75 7.598 7.598 7.736 -0.138 18152 2429 1 4 . 1 1 76 76 LEU N N 76 117.894 117.894 114.930 2.964 18152 2430 1 4 . 1 1 76 76 LEU HA H 76 4.373 4.373 4.850 -0.477 18152 2431 1 4 . 1 1 76 76 LEU C C 76 175.639 175.639 174.377 1.262 18152 2432 1 4 . 1 1 76 76 LEU CA C 76 54.578 54.578 54.510 0.068 18152 2433 1 4 . 1 1 76 76 LEU CB C 76 41.720 41.720 43.058 -1.338 18152 2434 1 4 . 1 1 76 76 LEU H H 76 7.285 7.285 7.711 -0.426 18152 2435 1 4 . 1 1 77 77 LYS N N 77 122.287 122.287 119.549 2.738 18152 2436 1 4 . 1 1 77 77 LYS HA H 77 4.545 4.545 4.379 0.166 18152 2437 1 4 . 1 1 77 77 LYS C C 77 175.553 175.553 175.990 -0.437 18152 2438 1 4 . 1 1 77 77 LYS CA C 77 53.336 53.336 56.509 -3.173 18152 2439 1 4 . 1 1 77 77 LYS CB C 77 36.380 36.380 34.662 1.718 18152 2440 1 4 . 1 1 77 77 LYS H H 77 9.513 9.513 7.917 1.596 18152 2441 1 4 . 1 1 78 78 GLU N N 78 118.949 118.949 120.570 -1.621 18152 2442 1 4 . 1 1 78 78 GLU HA H 78 3.523 3.523 4.459 -0.936 18152 2443 1 4 . 1 1 78 78 GLU C C 78 177.053 177.053 177.038 0.015 18152 2444 1 4 . 1 1 78 78 GLU CA C 78 59.205 59.205 58.397 0.809 18152 2445 1 4 . 1 1 78 78 GLU CB C 78 28.284 28.284 29.747 -1.463 18152 2446 1 4 . 1 1 78 78 GLU H H 78 8.900 8.900 9.024 -0.124 18152 2447 1 4 . 1 1 79 79 LYS N N 79 114.843 114.843 115.653 -0.810 18152 2448 1 4 . 1 1 79 79 LYS HA H 79 3.751 3.751 4.398 -0.647 18152 2449 1 4 . 1 1 79 79 LYS C C 79 176.434 176.434 176.418 0.016 18152 2450 1 4 . 1 1 79 79 LYS CA C 79 59.231 59.231 56.106 3.125 18152 2451 1 4 . 1 1 79 79 LYS CB C 79 29.657 29.657 32.194 -2.537 18152 2452 1 4 . 1 1 79 79 LYS H H 79 8.909 8.909 7.991 0.918 18152 2453 1 4 . 1 1 80 80 ASP N N 80 119.664 119.664 121.144 -1.480 18152 2454 1 4 . 1 1 80 80 ASP HA H 80 4.946 4.946 4.662 0.284 18152 2455 1 4 . 1 1 80 80 ASP C C 80 175.886 175.886 174.987 0.899 18152 2456 1 4 . 1 1 80 80 ASP CA C 80 55.661 55.661 54.545 1.116 18152 2457 1 4 . 1 1 80 80 ASP CB C 80 41.782 41.782 42.422 -0.640 18152 2458 1 4 . 1 1 80 80 ASP H H 80 8.052 8.052 7.585 0.467 18152 2459 1 4 . 1 1 81 81 THR N N 81 111.597 111.597 112.517 -0.920 18152 2460 1 4 . 1 1 81 81 THR HA H 81 5.321 5.321 4.953 0.368 18152 2461 1 4 . 1 1 81 81 THR C C 81 174.221 174.221 173.243 0.978 18152 2462 1 4 . 1 1 81 81 THR CA C 81 61.103 61.103 60.895 0.208 18152 2463 1 4 . 1 1 81 81 THR CB C 81 71.264 71.264 71.692 -0.427 18152 2464 1 4 . 1 1 81 81 THR H H 81 8.083 8.083 8.096 -0.013 18152 2465 1 4 . 1 1 82 82 LEU N N 82 120.358 120.358 125.626 -5.268 18152 2466 1 4 . 1 1 82 82 LEU HA H 82 4.836 4.836 4.855 -0.019 18152 2467 1 4 . 1 1 82 82 LEU C C 82 174.850 174.850 175.883 -1.033 18152 2468 1 4 . 1 1 82 82 LEU CA C 82 53.721 53.721 53.879 -0.158 18152 2469 1 4 . 1 1 82 82 LEU CB C 82 45.655 45.655 43.531 2.124 18152 2470 1 4 . 1 1 82 82 LEU H H 82 8.684 8.684 9.329 -0.645 18152 2471 1 4 . 1 1 83 83 VAL N N 83 121.834 121.834 124.609 -2.775 18152 2472 1 4 . 1 1 83 83 VAL HA H 83 5.269 5.269 5.271 -0.002 18152 2473 1 4 . 1 1 83 83 VAL C C 83 174.766 174.766 175.232 -0.466 18152 2474 1 4 . 1 1 83 83 VAL CA C 83 61.157 61.157 61.243 -0.086 18152 2475 1 4 . 1 1 83 83 VAL CB C 83 34.923 34.923 33.258 1.665 18152 2476 1 4 . 1 1 83 83 VAL H H 83 8.670 8.670 9.084 -0.414 18152 2477 1 4 . 1 1 84 84 LEU N N 84 129.811 129.811 129.910 -0.099 18152 2478 1 4 . 1 1 84 84 LEU HA H 84 5.647 5.647 5.141 0.506 18152 2479 1 4 . 1 1 84 84 LEU C C 84 175.644 175.644 175.979 -0.335 18152 2480 1 4 . 1 1 84 84 LEU CA C 84 53.160 53.160 53.761 -0.601 18152 2481 1 4 . 1 1 84 84 LEU CB C 84 46.815 46.815 43.805 3.010 18152 2482 1 4 . 1 1 84 84 LEU H H 84 10.025 10.025 9.568 0.457 18152 2483 1 4 . 1 1 85 85 GLU N N 85 125.273 125.273 124.326 0.947 18152 2484 1 4 . 1 1 85 85 GLU HA H 85 5.293 5.293 5.361 -0.068 18152 2485 1 4 . 1 1 85 85 GLU C C 85 175.910 175.910 175.497 0.413 18152 2486 1 4 . 1 1 85 85 GLU CA C 85 54.716 54.716 55.324 -0.608 18152 2487 1 4 . 1 1 85 85 GLU CB C 85 30.904 30.904 31.328 -0.424 18152 2488 1 4 . 1 1 85 85 GLU H H 85 9.117 9.117 9.179 -0.062 18152 2489 1 4 . 1 1 86 86 TYR N N 86 125.299 125.299 126.649 -1.350 18152 2490 1 4 . 1 1 86 86 TYR HA H 86 4.825 4.825 4.771 0.054 18152 2491 1 4 . 1 1 86 86 TYR C C 86 174.077 174.077 174.594 -0.517 18152 2492 1 4 . 1 1 86 86 TYR CA C 86 57.516 57.516 57.808 -0.292 18152 2493 1 4 . 1 1 86 86 TYR CB C 86 41.720 41.720 42.588 -0.868 18152 2494 1 4 . 1 1 86 86 TYR H H 86 9.056 9.056 9.396 -0.340 18152 2495 1 4 . 1 1 87 87 ASP N N 87 131.006 131.006 128.903 2.103 18152 2496 1 4 . 1 1 87 87 ASP HA H 87 3.921 3.921 4.251 -0.330 18152 2497 1 4 . 1 1 87 87 ASP C C 87 171.773 171.773 175.318 -3.545 18152 2498 1 4 . 1 1 87 87 ASP CA C 87 54.613 54.613 54.978 -0.365 18152 2499 1 4 . 1 1 87 87 ASP CB C 87 39.659 39.659 40.127 -0.467 18152 2500 1 4 . 1 1 87 87 ASP H H 87 9.071 9.071 9.257 -0.186 18152 2501 1 4 . 1 1 88 88 ASN N N 88 109.843 109.843 111.260 -1.417 18152 2502 1 4 . 1 1 88 88 ASN HA H 88 4.159 4.159 4.349 -0.190 18152 2503 1 4 . 1 1 88 88 ASN C C 88 173.995 173.995 174.338 -0.343 18152 2504 1 4 . 1 1 88 88 ASN CA C 88 54.528 54.528 54.905 -0.377 18152 2505 1 4 . 1 1 88 88 ASN CB C 88 37.383 37.383 38.218 -0.835 18152 2506 1 4 . 1 1 88 88 ASN H H 88 8.613 8.613 8.781 -0.168 18152 2507 1 4 . 1 1 89 89 LYS N N 89 119.021 119.021 118.856 0.165 18152 2508 1 4 . 1 1 89 89 LYS HA H 89 4.714 4.714 5.026 -0.312 18152 2509 1 4 . 1 1 89 89 LYS C C 89 174.644 174.644 175.623 -0.979 18152 2510 1 4 . 1 1 89 89 LYS CA C 89 55.133 55.133 55.576 -0.443 18152 2511 1 4 . 1 1 89 89 LYS CB C 89 36.460 36.460 35.847 0.613 18152 2512 1 4 . 1 1 89 89 LYS H H 89 7.903 7.903 7.857 0.046 18152 2513 1 4 . 1 1 90 90 THR N N 90 117.141 117.141 118.348 -1.207 18152 2514 1 4 . 1 1 90 90 THR HA H 90 4.819 4.819 5.537 -0.718 18152 2515 1 4 . 1 1 90 90 THR C C 90 172.823 172.823 174.084 -1.261 18152 2516 1 4 . 1 1 90 90 THR CA C 90 61.745 61.745 60.994 0.751 18152 2517 1 4 . 1 1 90 90 THR CB C 90 69.709 69.709 70.048 -0.339 18152 2518 1 4 . 1 1 90 90 THR H H 90 8.451 8.451 9.333 -0.882 18152 2519 1 4 . 1 1 91 91 TYR N N 91 127.333 127.333 126.626 0.707 18152 2520 1 4 . 1 1 91 91 TYR HA H 91 4.620 4.620 4.885 -0.265 18152 2521 1 4 . 1 1 91 91 TYR C C 91 174.313 174.313 175.773 -1.460 18152 2522 1 4 . 1 1 91 91 TYR CA C 91 56.764 56.764 56.662 0.102 18152 2523 1 4 . 1 1 91 91 TYR CB C 91 41.054 41.054 41.123 -0.069 18152 2524 1 4 . 1 1 91 91 TYR H H 91 9.552 9.552 9.879 -0.327 18152 2525 1 4 . 1 1 92 92 THR N N 92 117.709 117.709 119.801 -2.092 18152 2526 1 4 . 1 1 92 92 THR HA H 92 4.941 4.941 4.729 0.212 18152 2527 1 4 . 1 1 92 92 THR C C 92 172.464 172.464 173.434 -0.970 18152 2528 1 4 . 1 1 92 92 THR CA C 92 61.320 61.320 62.050 -0.730 18152 2529 1 4 . 1 1 92 92 THR CB C 92 69.546 69.546 68.883 0.663 18152 2530 1 4 . 1 1 92 92 THR H H 92 8.705 8.705 9.285 -0.580 18152 2531 1 4 . 1 1 93 93 TYR N N 93 122.946 122.946 126.794 -3.848 18152 2532 1 4 . 1 1 93 93 TYR HA H 93 5.431 5.431 5.402 0.029 18152 2533 1 4 . 1 1 93 93 TYR C C 93 174.846 174.846 174.890 -0.044 18152 2534 1 4 . 1 1 93 93 TYR CA C 93 55.804 55.804 56.853 -1.049 18152 2535 1 4 . 1 1 93 93 TYR CB C 93 42.627 42.627 42.370 0.257 18152 2536 1 4 . 1 1 93 93 TYR H H 93 9.381 9.381 9.615 -0.234 18152 2537 1 4 . 1 1 94 94 GLU N N 94 121.240 121.240 122.254 -1.014 18152 2538 1 4 . 1 1 94 94 GLU HA H 94 4.901 4.901 4.962 -0.061 18152 2539 1 4 . 1 1 94 94 GLU C C 94 177.060 177.060 175.603 1.457 18152 2540 1 4 . 1 1 94 94 GLU CA C 94 54.073 54.073 53.832 0.241 18152 2541 1 4 . 1 1 94 94 GLU CB C 94 33.787 33.787 33.969 -0.182 18152 2542 1 4 . 1 1 94 94 GLU H H 94 9.100 9.100 9.420 -0.320 18152 2543 1 4 . 1 1 95 95 ILE N N 95 128.525 128.525 127.419 1.106 18152 2544 1 4 . 1 1 95 95 ILE HA H 95 3.737 3.737 4.189 -0.452 18152 2545 1 4 . 1 1 95 95 ILE C C 95 176.261 176.261 176.761 -0.500 18152 2546 1 4 . 1 1 95 95 ILE CA C 95 64.664 64.664 62.707 1.957 18152 2547 1 4 . 1 1 95 95 ILE CB C 95 37.472 37.472 36.172 1.300 18152 2548 1 4 . 1 1 95 95 ILE H H 95 9.293 9.293 8.413 0.880 18152 2549 1 4 . 1 1 96 96 GLN N N 96 127.221 127.221 128.832 -1.611 18152 2550 1 4 . 1 1 96 96 GLN HA H 96 4.831 4.831 4.412 0.419 18152 2551 1 4 . 1 1 96 96 GLN C C 96 174.674 174.674 176.286 -1.612 18152 2552 1 4 . 1 1 96 96 GLN CA C 96 54.632 54.632 57.017 -2.385 18152 2553 1 4 . 1 1 96 96 GLN CB C 96 31.165 31.165 29.906 1.259 18152 2554 1 4 . 1 1 96 96 GLN H H 96 10.106 10.106 8.417 1.689 18152 2555 1 4 . 1 1 97 97 LYS N N 97 120.717 120.717 118.140 2.577 18152 2556 1 4 . 1 1 97 97 LYS HA H 97 4.658 4.658 4.662 -0.004 18152 2557 1 4 . 1 1 97 97 LYS C C 97 173.200 173.200 174.021 -0.821 18152 2558 1 4 . 1 1 97 97 LYS CA C 97 56.528 56.528 56.139 0.389 18152 2559 1 4 . 1 1 97 97 LYS CB C 97 36.462 36.462 35.360 1.102 18152 2560 1 4 . 1 1 97 97 LYS H H 97 7.958 7.958 7.616 0.342 18152 2561 1 4 . 1 1 98 98 ILE N N 98 125.089 125.089 122.881 2.208 18152 2562 1 4 . 1 1 98 98 ILE HA H 98 5.221 5.221 4.489 0.732 18152 2563 1 4 . 1 1 98 98 ILE C C 98 175.821 175.821 175.641 0.180 18152 2564 1 4 . 1 1 98 98 ILE CA C 98 60.078 60.078 60.245 -0.167 18152 2565 1 4 . 1 1 98 98 ILE CB C 98 42.082 42.082 39.804 2.278 18152 2566 1 4 . 1 1 98 98 ILE H H 98 8.458 8.458 8.521 -0.063 18152 2567 1 4 . 1 1 99 99 TRP N N 99 129.003 129.003 126.783 2.220 18152 2568 1 4 . 1 1 99 99 TRP HA H 99 4.661 4.661 5.015 -0.354 18152 2569 1 4 . 1 1 99 99 TRP C C 99 170.353 170.353 172.997 -2.644 18152 2570 1 4 . 1 1 99 99 TRP CA C 99 56.388 56.388 55.902 0.486 18152 2571 1 4 . 1 1 99 99 TRP CB C 99 31.158 31.158 30.500 0.658 18152 2572 1 4 . 1 1 99 99 TRP H H 99 9.291 9.291 7.987 1.304 18152 2573 1 4 . 1 1 100 100 ILE N N 100 117.739 117.739 119.708 -1.969 18152 2574 1 4 . 1 1 100 100 ILE HA H 100 4.616 4.616 4.922 -0.306 18152 2575 1 4 . 1 1 100 100 ILE C C 100 176.258 176.258 175.447 0.811 18152 2576 1 4 . 1 1 100 100 ILE CA C 100 58.973 58.973 60.306 -1.333 18152 2577 1 4 . 1 1 100 100 ILE CB C 100 40.734 40.734 40.862 -0.128 18152 2578 1 4 . 1 1 100 100 ILE H H 100 7.778 7.778 8.402 -0.624 18152 2579 1 4 . 1 1 101 101 THR N N 101 120.676 120.676 120.104 0.572 18152 2580 1 4 . 1 1 101 101 THR HA H 101 4.755 4.755 4.807 -0.052 18152 2581 1 4 . 1 1 101 101 THR C C 101 172.069 172.069 173.207 -1.138 18152 2582 1 4 . 1 1 101 101 THR CA C 101 57.557 57.557 59.322 -1.765 18152 2583 1 4 . 1 1 101 101 THR CB C 101 70.656 70.656 70.584 0.072 18152 2584 1 4 . 1 1 101 101 THR H H 101 8.587 8.587 8.469 0.118 18152 2585 1 4 . 1 1 102 102 HIS N N 102 119.885 119.885 120.528 -0.643 18152 2586 1 4 . 1 1 102 102 HIS HA H 102 5.401 5.401 4.915 0.486 18152 2587 1 4 . 1 1 102 102 HIS C C 102 176.781 176.781 176.980 -0.199 18152 2588 1 4 . 1 1 102 102 HIS CA C 102 54.482 54.482 57.839 -3.357 18152 2589 1 4 . 1 1 102 102 HIS CB C 102 31.240 31.240 30.517 0.723 18152 2590 1 4 . 1 1 102 102 HIS H H 102 8.194 8.194 8.801 -0.607 18152 2591 1 4 . 1 1 103 103 ALA N N 103 121.632 121.632 126.906 -5.274 18152 2592 1 4 . 1 1 103 103 ALA HA H 103 3.710 3.710 4.116 -0.406 18152 2593 1 4 . 1 1 103 103 ALA C C 103 177.587 177.587 178.042 -0.455 18152 2594 1 4 . 1 1 103 103 ALA CA C 103 54.899 54.899 54.861 0.038 18152 2595 1 4 . 1 1 103 103 ALA CB C 103 17.981 17.981 19.075 -1.094 18152 2596 1 4 . 1 1 103 103 ALA H H 103 8.405 8.405 8.504 -0.099 18152 2597 1 4 . 1 1 104 104 ASP N N 104 114.513 114.513 116.254 -1.741 18152 2598 1 4 . 1 1 104 104 ASP HA H 104 4.603 4.603 4.617 -0.014 18152 2599 1 4 . 1 1 104 104 ASP C C 104 175.283 175.283 175.428 -0.145 18152 2600 1 4 . 1 1 104 104 ASP CA C 104 53.070 53.070 54.187 -1.117 18152 2601 1 4 . 1 1 104 104 ASP CB C 104 40.034 40.034 40.374 -0.340 18152 2602 1 4 . 1 1 104 104 ASP H H 104 8.314 8.314 8.318 -0.004 18152 2603 1 4 . 1 1 105 105 ASP N N 105 119.184 119.184 120.850 -1.666 18152 2604 1 4 . 1 1 105 105 ASP HA H 105 4.170 4.170 4.716 -0.546 18152 2605 1 4 . 1 1 105 105 ASP C C 105 177.674 177.674 177.003 0.671 18152 2606 1 4 . 1 1 105 105 ASP CA C 105 54.268 54.268 53.720 0.548 18152 2607 1 4 . 1 1 105 105 ASP CB C 105 39.846 39.846 41.052 -1.206 18152 2608 1 4 . 1 1 105 105 ASP H H 105 7.043 7.043 7.671 -0.628 18152 2609 1 4 . 1 1 106 106 ARG N N 106 127.998 127.998 127.368 0.630 18152 2610 1 4 . 1 1 106 106 ARG HA H 106 4.368 4.368 4.032 0.336 18152 2611 1 4 . 1 1 106 106 ARG C C 106 177.709 177.709 177.690 0.019 18152 2612 1 4 . 1 1 106 106 ARG CA C 106 55.888 55.888 59.281 -3.393 18152 2613 1 4 . 1 1 106 106 ARG CB C 106 29.264 29.264 29.667 -0.403 18152 2614 1 4 . 1 1 106 106 ARG H H 106 8.921 8.921 7.957 0.964 18152 2615 1 4 . 1 1 107 107 THR N N 107 111.880 111.880 112.193 -0.313 18152 2616 1 4 . 1 1 107 107 THR HA H 107 4.139 4.139 4.007 0.132 18152 2617 1 4 . 1 1 107 107 THR C C 107 173.548 173.548 175.424 -1.876 18152 2618 1 4 . 1 1 107 107 THR CA C 107 62.350 62.350 64.873 -2.523 18152 2619 1 4 . 1 1 107 107 THR CB C 107 68.935 68.935 68.213 0.722 18152 2620 1 4 . 1 1 107 107 THR H H 107 8.857 8.857 8.426 0.431 18152 2621 1 4 . 1 1 108 108 VAL N N 108 118.971 118.971 115.738 3.233 18152 2622 1 4 . 1 1 108 108 VAL HA H 108 3.942 3.942 4.279 -0.337 18152 2623 1 4 . 1 1 108 108 VAL C C 108 176.853 176.853 175.361 1.492 18152 2624 1 4 . 1 1 108 108 VAL CA C 108 63.878 63.878 63.496 0.382 18152 2625 1 4 . 1 1 108 108 VAL CB C 108 32.470 32.470 33.382 -0.912 18152 2626 1 4 . 1 1 108 108 VAL H H 108 6.811 6.811 7.333 -0.522 18152 2627 1 4 . 1 1 109 109 ILE N N 109 120.334 120.334 119.446 0.888 18152 2628 1 4 . 1 1 109 109 ILE HA H 109 3.438 3.438 4.158 -0.720 18152 2629 1 4 . 1 1 109 109 ILE C C 109 173.191 173.191 175.857 -2.666 18152 2630 1 4 . 1 1 109 109 ILE CA C 109 60.963 60.963 60.073 0.890 18152 2631 1 4 . 1 1 109 109 ILE CB C 109 33.933 33.933 36.750 -2.817 18152 2632 1 4 . 1 1 109 109 ILE H H 109 8.053 8.053 8.095 -0.042 18152 2633 1 4 . 1 1 110 110 ILE N N 110 118.981 118.981 118.623 0.358 18152 2634 1 4 . 1 1 110 110 ILE HA H 110 4.542 4.542 4.518 0.024 18152 2635 1 4 . 1 1 110 110 ILE C C 110 174.405 174.405 174.530 -0.125 18152 2636 1 4 . 1 1 110 110 ILE CA C 110 57.932 57.932 58.940 -1.008 18152 2637 1 4 . 1 1 110 110 ILE CB C 110 42.146 42.146 38.708 3.438 18152 2638 1 4 . 1 1 110 110 ILE H H 110 6.877 6.877 7.710 -0.833 18152 2639 1 4 . 1 1 111 111 LYS N N 111 123.307 123.307 119.659 3.648 18152 2640 1 4 . 1 1 111 111 LYS HA H 111 4.609 4.609 4.921 -0.312 18152 2641 1 4 . 1 1 111 111 LYS C C 111 176.528 176.528 176.085 0.443 18152 2642 1 4 . 1 1 111 111 LYS CA C 111 56.695 56.695 55.176 1.519 18152 2643 1 4 . 1 1 111 111 LYS CB C 111 33.092 33.092 34.109 -1.017 18152 2644 1 4 . 1 1 111 111 LYS H H 111 8.492 8.492 8.080 0.412 18152 2645 1 4 . 1 1 112 112 LYS N N 112 121.425 121.425 123.067 -1.642 18152 2646 1 4 . 1 1 112 112 LYS HA H 112 4.706 4.706 4.513 0.193 18152 2647 1 4 . 1 1 112 112 LYS C C 112 175.996 175.996 175.762 0.234 18152 2648 1 4 . 1 1 112 112 LYS CA C 112 53.271 53.271 55.354 -2.083 18152 2649 1 4 . 1 1 112 112 LYS CB C 112 36.089 36.089 35.407 0.682 18152 2650 1 4 . 1 1 112 112 LYS H H 112 8.351 8.351 8.624 -0.273 18152 2651 1 4 . 1 1 113 113 GLU N N 113 119.533 119.533 120.046 -0.513 18152 2652 1 4 . 1 1 113 113 GLU HA H 113 4.372 4.372 4.262 0.110 18152 2653 1 4 . 1 1 113 113 GLU C C 113 174.477 174.477 175.809 -1.332 18152 2654 1 4 . 1 1 113 113 GLU CA C 113 55.175 55.175 56.644 -1.469 18152 2655 1 4 . 1 1 113 113 GLU CB C 113 29.097 29.097 30.050 -0.953 18152 2656 1 4 . 1 1 113 113 GLU H H 113 8.815 8.815 8.623 0.192 18152 2657 1 4 . 1 1 114 114 GLU N N 114 117.843 117.843 118.306 -0.463 18152 2658 1 4 . 1 1 114 114 GLU HA H 114 4.701 4.701 4.723 -0.022 18152 2659 1 4 . 1 1 114 114 GLU C C 114 172.378 172.378 174.216 -1.838 18152 2660 1 4 . 1 1 114 114 GLU CA C 114 52.633 52.633 53.023 -0.390 18152 2661 1 4 . 1 1 114 114 GLU CB C 114 30.487 30.487 29.827 0.660 18152 2662 1 4 . 1 1 114 114 GLU H H 114 7.426 7.426 7.723 -0.297 18152 2663 1 4 . 1 1 115 115 PRO HA H 115 4.725 4.725 4.968 -0.243 18152 2664 1 4 . 1 1 115 115 PRO CA C 115 62.352 62.352 62.970 -0.618 18152 2665 1 4 . 1 1 115 115 PRO CB C 115 30.706 30.706 31.344 -0.638 18152 2666 1 4 . 1 1 116 116 ILE N N 116 130.464 130.464 124.132 6.332 18152 2667 1 4 . 1 1 116 116 ILE HA H 116 4.785 4.785 4.920 -0.135 18152 2668 1 4 . 1 1 116 116 ILE C C 116 172.992 172.992 174.211 -1.219 18152 2669 1 4 . 1 1 116 116 ILE CA C 116 56.976 56.976 58.849 -1.873 18152 2670 1 4 . 1 1 116 116 ILE CB C 116 41.420 41.420 42.266 -0.846 18152 2671 1 4 . 1 1 116 116 ILE H H 116 7.830 7.830 8.345 -0.515 18152 2672 1 4 . 1 1 117 117 LEU N N 117 128.504 128.504 128.581 -0.077 18152 2673 1 4 . 1 1 117 117 LEU HA H 117 5.307 5.307 5.094 0.213 18152 2674 1 4 . 1 1 117 117 LEU C C 117 174.488 174.488 175.205 -0.717 18152 2675 1 4 . 1 1 117 117 LEU CA C 117 52.062 52.062 53.146 -1.084 18152 2676 1 4 . 1 1 117 117 LEU CB C 117 45.447 45.447 44.434 1.013 18152 2677 1 4 . 1 1 117 117 LEU H H 117 8.838 8.838 8.937 -0.099 18152 2678 1 4 . 1 1 118 118 THR N N 118 125.436 125.436 123.407 2.029 18152 2679 1 4 . 1 1 118 118 THR HA H 118 5.417 5.417 5.007 0.410 18152 2680 1 4 . 1 1 118 118 THR C C 118 173.169 173.169 173.056 0.113 18152 2681 1 4 . 1 1 118 118 THR CA C 118 60.596 60.596 61.168 -0.572 18152 2682 1 4 . 1 1 118 118 THR CB C 118 68.558 68.558 69.659 -1.101 18152 2683 1 4 . 1 1 118 118 THR H H 118 8.938 8.938 9.224 -0.286 18152 2684 1 4 . 1 1 119 119 LEU N N 119 128.310 128.310 131.049 -2.739 18152 2685 1 4 . 1 1 119 119 LEU HA H 119 5.103 5.103 5.224 -0.121 18152 2686 1 4 . 1 1 119 119 LEU C C 119 174.404 174.404 174.933 -0.529 18152 2687 1 4 . 1 1 119 119 LEU CA C 119 52.439 52.439 53.133 -0.694 18152 2688 1 4 . 1 1 119 119 LEU CB C 119 44.373 44.373 44.421 -0.048 18152 2689 1 4 . 1 1 119 119 LEU H H 119 9.280 9.280 9.109 0.171 18152 2690 1 4 . 1 1 120 120 THR N N 120 117.635 117.635 121.962 -4.327 18152 2691 1 4 . 1 1 120 120 THR HA H 120 5.590 5.590 5.539 0.051 18152 2692 1 4 . 1 1 120 120 THR C C 120 172.735 172.735 174.038 -1.303 18152 2693 1 4 . 1 1 120 120 THR CA C 120 57.360 57.360 60.307 -2.947 18152 2694 1 4 . 1 1 120 120 THR CB C 120 70.136 70.136 70.481 -0.344 18152 2695 1 4 . 1 1 120 120 THR H H 120 8.640 8.640 9.459 -0.819 18152 2696 1 4 . 1 1 121 121 THR N N 121 116.149 116.149 121.277 -5.128 18152 2697 1 4 . 1 1 121 121 THR HA H 121 4.766 4.766 5.476 -0.710 18152 2698 1 4 . 1 1 121 121 THR C C 121 174.145 174.145 173.146 0.999 18152 2699 1 4 . 1 1 121 121 THR CA C 121 59.550 59.550 60.210 -0.660 18152 2700 1 4 . 1 1 121 121 THR CB C 121 71.701 71.701 71.740 -0.039 18152 2701 1 4 . 1 1 121 121 THR H H 121 8.374 8.374 9.346 -0.972 18152 2702 1 4 . 1 1 123 123 TYR N N 123 121.847 121.847 119.419 2.428 18152 2703 1 4 . 1 1 123 123 TYR H H 123 7.461 7.461 8.475 -1.014 18152 2704 1 4 . 1 1 125 125 PHE N N 125 120.754 120.754 117.610 3.144 18152 2705 1 4 . 1 1 125 125 PHE HA H 125 4.420 4.420 4.312 0.108 18152 2706 1 4 . 1 1 125 125 PHE C C 125 176.083 176.083 174.966 1.117 18152 2707 1 4 . 1 1 125 125 PHE CA C 125 58.918 58.918 59.722 -0.804 18152 2708 1 4 . 1 1 125 125 PHE CB C 125 38.624 38.624 38.494 0.130 18152 2709 1 4 . 1 1 125 125 PHE H H 125 7.334 7.334 8.803 -1.469 18152 2710 1 4 . 1 1 126 126 ASP N N 126 114.938 114.938 116.292 -1.354 18152 2711 1 4 . 1 1 126 126 ASP HA H 126 4.548 4.548 4.130 0.418 18152 2712 1 4 . 1 1 126 126 ASP C C 126 175.285 175.285 176.058 -0.773 18152 2713 1 4 . 1 1 126 126 ASP CA C 126 51.974 51.974 51.982 -0.008 18152 2714 1 4 . 1 1 126 126 ASP CB C 126 39.454 39.454 38.302 1.152 18152 2715 1 4 . 1 1 126 126 ASP H H 126 8.179 8.179 7.743 0.436 18152 2716 1 4 . 1 1 127 127 TYR N N 127 121.170 121.170 122.415 -1.245 18152 2717 1 4 . 1 1 127 127 TYR HA H 127 3.947 3.947 4.014 -0.067 18152 2718 1 4 . 1 1 127 127 TYR C C 127 175.022 175.022 176.043 -1.021 18152 2719 1 4 . 1 1 127 127 TYR CA C 127 58.734 58.734 60.788 -2.054 18152 2720 1 4 . 1 1 127 127 TYR CB C 127 39.330 39.330 39.020 0.310 18152 2721 1 4 . 1 1 127 127 TYR H H 127 7.196 7.196 7.873 -0.677 18152 2722 1 4 . 1 1 128 128 ILE N N 128 127.293 127.293 118.449 8.844 18152 2723 1 4 . 1 1 128 128 ILE HA H 128 4.081 4.081 3.597 0.484 18152 2724 1 4 . 1 1 128 128 ILE C C 128 174.579 174.579 175.210 -0.631 18152 2725 1 4 . 1 1 128 128 ILE CA C 128 60.165 60.165 61.886 -1.721 18152 2726 1 4 . 1 1 128 128 ILE CB C 128 37.120 37.120 36.420 0.700 18152 2727 1 4 . 1 1 128 128 ILE H H 128 7.634 7.634 8.002 -0.368 18152 2728 1 4 . 1 1 129 129 GLY N N 129 114.862 114.862 112.847 2.015 18152 2729 1 4 . 1 1 129 129 GLY C C 129 172.992 172.992 172.979 0.013 18152 2730 1 4 . 1 1 129 129 GLY CA C 129 43.458 43.458 43.732 -0.274 18152 2731 1 4 . 1 1 129 129 GLY H H 129 8.150 8.150 7.246 0.904 18152 2732 1 4 . 1 1 130 130 ASP N N 130 122.165 122.165 119.117 3.048 18152 2733 1 4 . 1 1 130 130 ASP HA H 130 4.639 4.639 4.209 0.430 18152 2734 1 4 . 1 1 130 130 ASP C C 130 174.579 174.579 175.801 -1.222 18152 2735 1 4 . 1 1 130 130 ASP CA C 130 53.344 53.344 54.278 -0.934 18152 2736 1 4 . 1 1 130 130 ASP CB C 130 39.979 39.979 40.119 -0.140 18152 2737 1 4 . 1 1 130 130 ASP H H 130 8.541 8.541 8.230 0.311 18152 2738 1 4 . 1 1 131 131 ALA N N 131 129.087 129.087 125.763 3.324 18152 2739 1 4 . 1 1 131 131 ALA HA H 131 3.673 3.673 4.058 -0.385 18152 2740 1 4 . 1 1 131 131 ALA C C 131 176.791 176.791 177.089 -0.298 18152 2741 1 4 . 1 1 131 131 ALA CA C 131 50.186 50.186 51.280 -1.094 18152 2742 1 4 . 1 1 131 131 ALA CB C 131 17.692 17.692 18.954 -1.262 18152 2743 1 4 . 1 1 131 131 ALA H H 131 8.280 8.280 8.105 0.175 18152 2744 1 4 . 1 1 133 133 ASP N N 133 117.477 117.477 115.195 2.282 18152 2745 1 4 . 1 1 133 133 ASP HA H 133 5.512 5.512 5.164 0.348 18152 2746 1 4 . 1 1 133 133 ASP C C 133 175.988 175.988 174.923 1.065 18152 2747 1 4 . 1 1 133 133 ASP CA C 133 53.067 53.067 53.070 -0.003 18152 2748 1 4 . 1 1 133 133 ASP CB C 133 45.102 45.102 43.196 1.906 18152 2749 1 4 . 1 1 133 133 ASP H H 133 7.355 7.355 7.845 -0.490 18152 2750 1 4 . 1 1 134 134 ARG N N 134 120.986 120.986 124.303 -3.317 18152 2751 1 4 . 1 1 134 134 ARG HA H 134 4.871 4.871 4.662 0.209 18152 2752 1 4 . 1 1 134 134 ARG C C 134 172.288 172.288 174.678 -2.390 18152 2753 1 4 . 1 1 134 134 ARG CA C 134 53.958 53.958 54.365 -0.407 18152 2754 1 4 . 1 1 134 134 ARG CB C 134 33.787 33.787 33.845 -0.058 18152 2755 1 4 . 1 1 134 134 ARG H H 134 9.308 9.308 9.051 0.257 18152 2756 1 4 . 1 1 135 135 TYR N N 135 127.342 127.342 126.438 0.904 18152 2757 1 4 . 1 1 135 135 TYR HA H 135 4.037 4.037 4.543 -0.506 18152 2758 1 4 . 1 1 135 135 TYR C C 135 173.811 173.811 174.137 -0.326 18152 2759 1 4 . 1 1 135 135 TYR CA C 135 57.419 57.419 58.720 -1.301 18152 2760 1 4 . 1 1 135 135 TYR CB C 135 40.515 40.515 39.596 0.919 18152 2761 1 4 . 1 1 135 135 TYR H H 135 8.867 8.867 9.197 -0.330 18152 2762 1 4 . 1 1 136 136 ILE N N 136 128.458 128.458 128.607 -0.149 18152 2763 1 4 . 1 1 136 136 ILE HA H 136 4.133 4.133 4.771 -0.638 18152 2764 1 4 . 1 1 136 136 ILE C C 136 173.610 173.610 173.714 -0.104 18152 2765 1 4 . 1 1 136 136 ILE CA C 136 58.968 58.968 59.737 -0.769 18152 2766 1 4 . 1 1 136 136 ILE CB C 136 40.998 40.998 41.123 -0.125 18152 2767 1 4 . 1 1 136 136 ILE H H 136 8.569 8.569 8.102 0.467 18152 2768 1 4 . 1 1 137 137 ILE N N 137 123.623 123.623 128.776 -5.153 18152 2769 1 4 . 1 1 137 137 ILE HA H 137 4.330 4.330 4.068 0.262 18152 2770 1 4 . 1 1 137 137 ILE C C 137 173.524 173.524 173.973 -0.449 18152 2771 1 4 . 1 1 137 137 ILE CA C 137 59.873 59.873 59.764 0.109 18152 2772 1 4 . 1 1 137 137 ILE CB C 137 40.767 40.767 39.248 1.519 18152 2773 1 4 . 1 1 137 137 ILE H H 137 8.263 8.263 9.087 -0.824 18152 2774 1 4 . 1 1 138 138 GLU N N 138 127.009 127.009 129.264 -2.255 18152 2775 1 4 . 1 1 138 138 GLU HA H 138 5.219 5.219 4.767 0.452 18152 2776 1 4 . 1 1 138 138 GLU C C 138 175.383 175.383 174.850 0.533 18152 2777 1 4 . 1 1 138 138 GLU CA C 138 54.895 54.895 55.175 -0.280 18152 2778 1 4 . 1 1 138 138 GLU CB C 138 33.904 33.904 32.512 1.392 18152 2779 1 4 . 1 1 138 138 GLU H H 138 9.166 9.166 7.885 1.281 18152 2780 1 4 . 1 1 139 139 ALA N N 139 132.785 132.785 126.788 5.997 18152 2781 1 4 . 1 1 139 139 ALA HA H 139 5.231 5.231 5.193 0.038 18152 2782 1 4 . 1 1 139 139 ALA C C 139 173.789 173.789 175.086 -1.297 18152 2783 1 4 . 1 1 139 139 ALA CA C 139 50.197 50.197 51.112 -0.915 18152 2784 1 4 . 1 1 139 139 ALA CB C 139 24.262 24.262 23.330 0.932 18152 2785 1 4 . 1 1 139 139 ALA H H 139 10.313 10.313 8.539 1.774 18152 2786 1 4 . 1 1 140 140 LYS N N 140 120.672 120.672 122.074 -1.402 18152 2787 1 4 . 1 1 140 140 LYS HA H 140 5.062 5.062 5.154 -0.092 18152 2788 1 4 . 1 1 140 140 LYS C C 140 175.807 175.807 174.971 0.836 18152 2789 1 4 . 1 1 140 140 LYS CA C 140 54.250 54.250 54.210 0.040 18152 2790 1 4 . 1 1 140 140 LYS CB C 140 34.937 34.937 37.176 -2.239 18152 2791 1 4 . 1 1 140 140 LYS H H 140 8.507 8.507 8.550 -0.043 18152 2792 1 4 . 1 1 141 141 LEU N N 141 126.557 126.557 126.837 -0.280 18152 2793 1 4 . 1 1 141 141 LEU HA H 141 4.107 4.107 3.940 0.167 18152 2794 1 4 . 1 1 141 141 LEU C C 141 177.236 177.236 176.546 0.690 18152 2795 1 4 . 1 1 141 141 LEU CA C 141 56.169 56.169 55.852 0.316 18152 2796 1 4 . 1 1 141 141 LEU CB C 141 42.408 42.408 42.203 0.205 18152 2797 1 4 . 1 1 141 141 LEU H H 141 7.560 7.560 8.324 -0.764 18152 2798 1 4 . 1 1 142 142 THR N N 142 119.454 119.454 120.378 -0.924 18152 2799 1 4 . 1 1 142 142 THR HA H 142 4.522 4.522 4.470 0.052 18152 2800 1 4 . 1 1 142 142 THR C C 142 175.187 175.187 174.616 0.571 18152 2801 1 4 . 1 1 142 142 THR CA C 142 60.915 60.915 61.385 -0.470 18152 2802 1 4 . 1 1 142 142 THR CB C 142 69.490 69.490 70.117 -0.627 18152 2803 1 4 . 1 1 142 142 THR H H 142 9.562 9.562 9.134 0.428 18152 2804 1 4 . 1 1 143 143 GLY N N 143 109.946 109.946 109.963 -0.017 18152 2805 1 4 . 1 1 143 143 GLY C C 143 170.713 170.713 171.896 -1.183 18152 2806 1 4 . 1 1 143 143 GLY CA C 143 45.254 45.254 44.105 1.149 18152 2807 1 4 . 1 1 143 143 GLY H H 143 7.513 7.513 7.600 -0.087 18152 2808 1 4 . 1 1 144 144 SER N N 144 112.778 112.778 115.461 -2.683 18152 2809 1 4 . 1 1 144 144 SER HA H 144 5.059 5.059 4.782 0.277 18152 2810 1 4 . 1 1 144 144 SER C C 144 173.178 173.178 172.538 0.640 18152 2811 1 4 . 1 1 144 144 SER CA C 144 56.393 56.393 56.991 -0.598 18152 2812 1 4 . 1 1 144 144 SER CB C 144 65.587 65.587 65.834 -0.247 18152 2813 1 4 . 1 1 144 144 SER H H 144 7.877 7.877 7.748 0.129 18152 2814 1 4 . 1 1 145 145 TYR N N 145 119.351 119.351 124.157 -4.806 18152 2815 1 4 . 1 1 145 145 TYR HA H 145 4.755 4.755 4.649 0.106 18152 2816 1 4 . 1 1 145 145 TYR C C 145 174.580 174.580 174.849 -0.269 18152 2817 1 4 . 1 1 145 145 TYR CA C 145 56.413 56.413 56.421 -0.008 18152 2818 1 4 . 1 1 145 145 TYR CB C 145 40.096 40.096 39.762 0.334 18152 2819 1 4 . 1 1 145 145 TYR H H 145 8.374 8.374 9.250 -0.876 18152 2820 1 4 . 1 1 146 146 SER N N 146 117.533 117.533 119.127 -1.594 18152 2821 1 4 . 1 1 146 146 SER HA H 146 4.564 4.564 4.547 0.017 18152 2822 1 4 . 1 1 146 146 SER CA C 146 58.000 58.000 57.583 0.417 18152 2823 1 4 . 1 1 146 146 SER CB C 146 63.905 63.905 64.044 -0.140 18152 2824 1 4 . 1 1 146 146 SER H H 146 8.502 8.502 8.504 -0.002 18152 2825 1 5 . 1 1 7 7 GLN N N 7 122.485 122.485 124.969 -2.484 18152 2826 1 5 . 1 1 7 7 GLN CA C 7 55.218 55.218 55.358 -0.140 18152 2827 1 5 . 1 1 7 7 GLN CB C 7 28.842 28.842 28.243 0.599 18152 2828 1 5 . 1 1 7 7 GLN H H 7 8.175 8.175 8.706 -0.531 18152 2829 1 5 . 1 1 8 8 THR N N 8 115.244 115.244 113.415 1.829 18152 2830 1 5 . 1 1 8 8 THR HA H 8 4.189 4.189 4.161 0.028 18152 2831 1 5 . 1 1 8 8 THR C C 8 173.961 173.961 174.949 -0.988 18152 2832 1 5 . 1 1 8 8 THR CA C 8 61.486 61.486 63.828 -2.342 18152 2833 1 5 . 1 1 8 8 THR CB C 8 69.316 69.316 69.114 0.202 18152 2834 1 5 . 1 1 8 8 THR H H 8 8.027 8.027 7.873 0.154 18152 2835 1 5 . 1 1 9 9 GLU N N 9 123.496 123.496 120.012 3.484 18152 2836 1 5 . 1 1 9 9 GLU HA H 9 4.060 4.060 4.439 -0.379 18152 2837 1 5 . 1 1 9 9 GLU C C 9 175.555 175.555 175.211 0.344 18152 2838 1 5 . 1 1 9 9 GLU CA C 9 55.868 55.868 54.310 1.558 18152 2839 1 5 . 1 1 9 9 GLU CB C 9 29.611 29.611 32.314 -2.703 18152 2840 1 5 . 1 1 9 9 GLU H H 9 8.225 8.225 8.080 0.145 18152 2841 1 5 . 1 1 10 10 HIS N N 10 119.084 119.084 118.890 0.194 18152 2842 1 5 . 1 1 10 10 HIS HA H 10 4.384 4.384 4.135 0.249 18152 2843 1 5 . 1 1 10 10 HIS C C 10 173.742 173.742 174.585 -0.843 18152 2844 1 5 . 1 1 10 10 HIS CA C 10 53.932 53.932 56.584 -2.652 18152 2845 1 5 . 1 1 10 10 HIS CB C 10 28.922 28.922 27.881 1.041 18152 2846 1 5 . 1 1 10 10 HIS H H 10 7.357 7.357 8.248 -0.891 18152 2847 1 5 . 1 1 11 11 LYS N N 11 121.509 121.509 122.851 -1.342 18152 2848 1 5 . 1 1 11 11 LYS HA H 11 4.469 4.469 4.704 -0.235 18152 2849 1 5 . 1 1 11 11 LYS C C 11 176.210 176.210 176.228 -0.018 18152 2850 1 5 . 1 1 11 11 LYS CA C 11 54.245 54.245 54.743 -0.498 18152 2851 1 5 . 1 1 11 11 LYS CB C 11 33.548 33.548 35.435 -1.887 18152 2852 1 5 . 1 1 11 11 LYS H H 11 8.409 8.409 8.691 -0.282 18152 2853 1 5 . 1 1 12 12 GLU N N 12 123.025 123.025 120.897 2.128 18152 2854 1 5 . 1 1 12 12 GLU HA H 12 4.240 4.240 4.758 -0.518 18152 2855 1 5 . 1 1 12 12 GLU C C 12 178.023 178.023 176.898 1.125 18152 2856 1 5 . 1 1 12 12 GLU CA C 12 58.350 58.350 56.612 1.738 18152 2857 1 5 . 1 1 12 12 GLU CB C 12 29.254 29.254 30.829 -1.575 18152 2858 1 5 . 1 1 12 12 GLU H H 12 8.929 8.929 8.795 0.134 18152 2859 1 5 . 1 1 13 13 GLY N N 13 113.216 113.216 111.853 1.363 18152 2860 1 5 . 1 1 13 13 GLY C C 13 174.141 174.141 173.410 0.731 18152 2861 1 5 . 1 1 13 13 GLY CA C 13 45.243 45.243 45.281 -0.038 18152 2862 1 5 . 1 1 13 13 GLY H H 13 9.714 9.714 9.233 0.481 18152 2863 1 5 . 1 1 14 14 GLU N N 14 120.782 120.782 119.376 1.406 18152 2864 1 5 . 1 1 14 14 GLU HA H 14 4.472 4.472 4.803 -0.331 18152 2865 1 5 . 1 1 14 14 GLU C C 14 176.436 176.436 176.120 0.316 18152 2866 1 5 . 1 1 14 14 GLU CA C 14 55.641 55.641 53.840 1.801 18152 2867 1 5 . 1 1 14 14 GLU CB C 14 30.989 30.989 31.893 -0.904 18152 2868 1 5 . 1 1 14 14 GLU H H 14 8.289 8.289 7.736 0.553 18152 2869 1 5 . 1 1 15 15 LYS N N 15 125.126 125.126 126.946 -1.820 18152 2870 1 5 . 1 1 15 15 LYS HA H 15 4.100 4.100 3.766 0.334 18152 2871 1 5 . 1 1 15 15 LYS C C 15 176.970 176.970 176.231 0.739 18152 2872 1 5 . 1 1 15 15 LYS CA C 15 57.098 57.098 57.679 -0.581 18152 2873 1 5 . 1 1 15 15 LYS CB C 15 31.680 31.680 32.088 -0.408 18152 2874 1 5 . 1 1 15 15 LYS H H 15 8.978 8.978 9.041 -0.063 18152 2875 1 5 . 1 1 16 16 VAL N N 16 119.214 119.214 122.308 -3.094 18152 2876 1 5 . 1 1 16 16 VAL HA H 16 4.572 4.572 4.221 0.351 18152 2877 1 5 . 1 1 16 16 VAL C C 16 174.148 174.148 174.323 -0.175 18152 2878 1 5 . 1 1 16 16 VAL CA C 16 60.141 60.141 61.636 -1.496 18152 2879 1 5 . 1 1 16 16 VAL CB C 16 34.881 34.881 33.313 1.568 18152 2880 1 5 . 1 1 16 16 VAL H H 16 8.976 8.976 8.045 0.931 18152 2881 1 5 . 1 1 17 17 ALA N N 17 121.368 121.368 120.011 1.357 18152 2882 1 5 . 1 1 17 17 ALA HA H 17 5.186 5.186 5.056 0.130 18152 2883 1 5 . 1 1 17 17 ALA C C 17 174.664 174.664 174.877 -0.213 18152 2884 1 5 . 1 1 17 17 ALA CA C 17 51.098 51.098 49.765 1.333 18152 2885 1 5 . 1 1 17 17 ALA CB C 17 22.853 22.853 22.439 0.414 18152 2886 1 5 . 1 1 17 17 ALA H H 17 8.069 8.069 7.523 0.546 18152 2887 1 5 . 1 1 18 18 MET N N 18 116.475 116.475 119.682 -3.207 18152 2888 1 5 . 1 1 18 18 MET HA H 18 5.303 5.303 4.875 0.428 18152 2889 1 5 . 1 1 18 18 MET C C 18 174.413 174.413 174.078 0.335 18152 2890 1 5 . 1 1 18 18 MET CA C 18 53.607 53.607 54.499 -0.892 18152 2891 1 5 . 1 1 18 18 MET CB C 18 35.038 35.038 36.913 -1.875 18152 2892 1 5 . 1 1 18 18 MET H H 18 8.142 8.142 8.248 -0.106 18152 2893 1 5 . 1 1 19 19 LEU N N 19 126.244 126.244 127.398 -1.154 18152 2894 1 5 . 1 1 19 19 LEU HA H 19 5.268 5.268 5.111 0.157 18152 2895 1 5 . 1 1 19 19 LEU C C 19 173.617 173.617 174.239 -0.622 18152 2896 1 5 . 1 1 19 19 LEU CA C 19 52.851 52.851 53.899 -1.048 18152 2897 1 5 . 1 1 19 19 LEU CB C 19 44.705 44.705 44.708 -0.003 18152 2898 1 5 . 1 1 19 19 LEU H H 19 9.369 9.369 9.205 0.164 18152 2899 1 5 . 1 1 20 20 ASN N N 20 126.596 126.596 125.869 0.727 18152 2900 1 5 . 1 1 20 20 ASN HA H 20 5.340 5.340 5.539 -0.199 18152 2901 1 5 . 1 1 20 20 ASN C C 20 174.316 174.316 173.784 0.532 18152 2902 1 5 . 1 1 20 20 ASN CA C 20 51.344 51.344 51.711 -0.367 18152 2903 1 5 . 1 1 20 20 ASN CB C 20 40.972 40.972 42.074 -1.102 18152 2904 1 5 . 1 1 20 20 ASN H H 20 10.032 10.032 9.530 0.502 18152 2905 1 5 . 1 1 21 21 ILE N N 21 123.799 123.799 124.808 -1.009 18152 2906 1 5 . 1 1 21 21 ILE HA H 21 4.829 4.829 4.893 -0.064 18152 2907 1 5 . 1 1 21 21 ILE C C 21 174.409 174.409 174.894 -0.485 18152 2908 1 5 . 1 1 21 21 ILE CA C 21 58.243 58.243 57.996 0.247 18152 2909 1 5 . 1 1 21 21 ILE CB C 21 37.477 37.477 39.614 -2.137 18152 2910 1 5 . 1 1 21 21 ILE H H 21 8.614 8.614 9.372 -0.758 18152 2911 1 5 . 1 1 22 22 PRO HA H 22 4.178 4.178 4.450 -0.272 18152 2912 1 5 . 1 1 22 22 PRO CA C 22 65.629 65.629 65.227 0.402 18152 2913 1 5 . 1 1 22 22 PRO CB C 22 31.806 31.806 32.117 -0.311 18152 2914 1 5 . 1 1 23 23 LYS N N 23 118.170 118.170 118.898 -0.728 18152 2915 1 5 . 1 1 23 23 LYS HA H 23 3.943 3.943 4.128 -0.185 18152 2916 1 5 . 1 1 23 23 LYS C C 23 177.231 177.231 177.326 -0.095 18152 2917 1 5 . 1 1 23 23 LYS CA C 23 58.643 58.643 58.645 -0.002 18152 2918 1 5 . 1 1 23 23 LYS CB C 23 33.171 33.171 32.129 1.042 18152 2919 1 5 . 1 1 23 23 LYS H H 23 9.365 9.365 8.568 0.797 18152 2920 1 5 . 1 1 24 24 LEU N N 24 111.984 111.984 117.006 -5.022 18152 2921 1 5 . 1 1 24 24 LEU HA H 24 4.319 4.319 4.462 -0.143 18152 2922 1 5 . 1 1 24 24 LEU C C 24 175.562 175.562 176.004 -0.442 18152 2923 1 5 . 1 1 24 24 LEU CA C 24 52.965 52.965 54.322 -1.357 18152 2924 1 5 . 1 1 24 24 LEU CB C 24 42.473 42.473 41.313 1.159 18152 2925 1 5 . 1 1 24 24 LEU H H 24 6.919 6.919 7.872 -0.953 18152 2926 1 5 . 1 1 25 25 LYS N N 25 115.814 115.814 116.843 -1.029 18152 2927 1 5 . 1 1 25 25 LYS HA H 25 3.849 3.849 4.041 -0.192 18152 2928 1 5 . 1 1 25 25 LYS C C 25 175.297 175.297 175.550 -0.253 18152 2929 1 5 . 1 1 25 25 LYS CA C 25 56.598 56.598 57.287 -0.689 18152 2930 1 5 . 1 1 25 25 LYS CB C 25 28.918 28.918 29.408 -0.490 18152 2931 1 5 . 1 1 25 25 LYS H H 25 7.912 7.912 7.273 0.639 18152 2932 1 5 . 1 1 26 26 LYS N N 26 115.145 115.145 119.585 -4.440 18152 2933 1 5 . 1 1 26 26 LYS HA H 26 4.559 4.559 4.401 0.158 18152 2934 1 5 . 1 1 26 26 LYS C C 26 173.961 173.961 174.740 -0.779 18152 2935 1 5 . 1 1 26 26 LYS CA C 26 53.788 53.788 54.906 -1.118 18152 2936 1 5 . 1 1 26 26 LYS CB C 26 37.483 37.483 36.011 1.472 18152 2937 1 5 . 1 1 26 26 LYS H H 26 6.765 6.765 7.910 -1.145 18152 2938 1 5 . 1 1 27 27 LYS N N 27 119.758 119.758 119.712 0.046 18152 2939 1 5 . 1 1 27 27 LYS HA H 27 5.452 5.452 5.298 0.154 18152 2940 1 5 . 1 1 27 27 LYS C C 27 175.482 175.482 175.381 0.101 18152 2941 1 5 . 1 1 27 27 LYS CA C 27 53.883 53.883 55.145 -1.262 18152 2942 1 5 . 1 1 27 27 LYS CB C 27 35.855 35.855 35.955 -0.100 18152 2943 1 5 . 1 1 27 27 LYS H H 27 7.885 7.885 8.161 -0.276 18152 2944 1 5 . 1 1 28 28 PHE N N 28 119.077 119.077 123.083 -4.006 18152 2945 1 5 . 1 1 28 28 PHE HA H 28 4.871 4.871 4.800 0.071 18152 2946 1 5 . 1 1 28 28 PHE C C 28 175.477 175.477 175.064 0.413 18152 2947 1 5 . 1 1 28 28 PHE CA C 28 56.100 56.100 56.827 -0.727 18152 2948 1 5 . 1 1 28 28 PHE CB C 28 42.734 42.734 42.566 0.168 18152 2949 1 5 . 1 1 28 28 PHE H H 28 9.397 9.397 9.615 -0.218 18152 2950 1 5 . 1 1 29 29 SER N N 29 121.189 121.189 120.529 0.660 18152 2951 1 5 . 1 1 29 29 SER HA H 29 4.848 4.848 4.377 0.471 18152 2952 1 5 . 1 1 29 29 SER C C 29 172.010 172.010 173.506 -1.496 18152 2953 1 5 . 1 1 29 29 SER CA C 29 59.961 59.961 59.503 0.458 18152 2954 1 5 . 1 1 29 29 SER CB C 29 64.433 64.433 63.395 1.038 18152 2955 1 5 . 1 1 29 29 SER H H 29 9.010 9.010 8.898 0.112 18152 2956 1 5 . 1 1 30 30 ILE N N 30 120.881 120.881 126.650 -5.769 18152 2957 1 5 . 1 1 30 30 ILE HA H 30 4.942 4.942 4.247 0.695 18152 2958 1 5 . 1 1 30 30 ILE C C 30 174.874 174.874 174.432 0.442 18152 2959 1 5 . 1 1 30 30 ILE CA C 30 57.775 57.775 59.388 -1.613 18152 2960 1 5 . 1 1 30 30 ILE CB C 30 38.001 38.001 37.196 0.805 18152 2961 1 5 . 1 1 30 30 ILE H H 30 8.084 8.084 8.265 -0.181 18152 2962 1 5 . 1 1 31 31 TYR N N 31 127.573 127.573 126.057 1.516 18152 2963 1 5 . 1 1 31 31 TYR HA H 31 5.299 5.299 4.869 0.430 18152 2964 1 5 . 1 1 31 31 TYR C C 31 174.806 174.806 175.806 -1.000 18152 2965 1 5 . 1 1 31 31 TYR CA C 31 56.120 56.120 56.527 -0.407 18152 2966 1 5 . 1 1 31 31 TYR CB C 31 41.139 41.139 41.003 0.136 18152 2967 1 5 . 1 1 31 31 TYR H H 31 9.174 9.174 8.275 0.899 18152 2968 1 5 . 1 1 32 32 TRP N N 32 121.993 121.993 123.641 -1.648 18152 2969 1 5 . 1 1 32 32 TRP HA H 32 4.583 4.583 4.400 0.183 18152 2970 1 5 . 1 1 32 32 TRP C C 32 175.194 175.194 175.841 -0.647 18152 2971 1 5 . 1 1 32 32 TRP CA C 32 57.396 57.396 59.253 -1.857 18152 2972 1 5 . 1 1 32 32 TRP CB C 32 29.670 29.670 30.241 -0.571 18152 2973 1 5 . 1 1 32 32 TRP H H 32 9.007 9.007 9.153 -0.146 18152 2974 1 5 . 1 1 33 33 GLY N N 33 120.470 120.470 114.118 6.352 18152 2975 1 5 . 1 1 33 33 GLY C C 33 171.936 171.936 171.956 -0.020 18152 2976 1 5 . 1 1 33 33 GLY CA C 33 44.532 44.532 44.283 0.249 18152 2977 1 5 . 1 1 33 33 GLY H H 33 7.758 7.758 7.562 0.196 18152 2978 1 5 . 1 1 34 34 ALA N N 34 120.239 120.239 125.035 -4.796 18152 2979 1 5 . 1 1 34 34 ALA HA H 34 4.447 4.447 4.546 -0.099 18152 2980 1 5 . 1 1 34 34 ALA C C 34 176.174 176.174 176.019 0.155 18152 2981 1 5 . 1 1 34 34 ALA CA C 34 49.913 49.913 51.262 -1.349 18152 2982 1 5 . 1 1 34 34 ALA CB C 34 18.955 18.955 19.643 -0.688 18152 2983 1 5 . 1 1 34 34 ALA H H 34 7.883 7.883 8.182 -0.299 18152 2984 1 5 . 1 1 35 35 ASP N N 35 118.828 118.828 123.866 -5.038 18152 2985 1 5 . 1 1 35 35 ASP HA H 35 4.450 4.450 4.754 -0.304 18152 2986 1 5 . 1 1 35 35 ASP C C 35 175.990 175.990 176.299 -0.309 18152 2987 1 5 . 1 1 35 35 ASP CA C 35 53.030 53.030 53.667 -0.637 18152 2988 1 5 . 1 1 35 35 ASP CB C 35 41.508 41.508 42.847 -1.339 18152 2989 1 5 . 1 1 35 35 ASP H H 35 7.944 7.944 8.209 -0.265 18152 2990 1 5 . 1 1 36 36 ASP N N 36 121.051 121.051 122.019 -0.968 18152 2991 1 5 . 1 1 36 36 ASP HA H 36 4.335 4.335 4.462 -0.127 18152 2992 1 5 . 1 1 36 36 ASP C C 36 177.296 177.296 176.413 0.883 18152 2993 1 5 . 1 1 36 36 ASP CA C 36 55.183 55.183 53.975 1.208 18152 2994 1 5 . 1 1 36 36 ASP CB C 36 39.837 39.837 40.162 -0.325 18152 2995 1 5 . 1 1 36 36 ASP H H 36 8.509 8.509 8.576 -0.067 18152 2996 1 5 . 1 1 37 37 ALA N N 37 119.568 119.568 121.520 -1.952 18152 2997 1 5 . 1 1 37 37 ALA HA H 37 4.060 4.060 4.142 -0.082 18152 2998 1 5 . 1 1 37 37 ALA C C 37 179.598 179.598 178.391 1.207 18152 2999 1 5 . 1 1 37 37 ALA CA C 37 53.967 53.967 53.565 0.402 18152 3000 1 5 . 1 1 37 37 ALA CB C 37 18.009 18.009 18.345 -0.335 18152 3001 1 5 . 1 1 37 37 ALA H H 37 8.169 8.169 7.807 0.362 18152 3002 1 5 . 1 1 38 38 THR HA H 38 3.850 3.850 4.181 -0.331 18152 3003 1 5 . 1 1 38 38 THR CA C 38 68.437 68.437 62.517 5.920 18152 3004 1 5 . 1 1 38 38 THR CB C 38 72.916 72.916 69.448 3.468 18152 3005 1 5 . 1 1 38 38 THR H H 38 7.621 7.621 7.526 0.095 18152 3006 1 5 . 1 1 42 42 GLY N N 42 106.310 106.310 111.828 -5.518 18152 3007 1 5 . 1 1 42 42 GLY CA C 42 46.480 46.480 44.663 1.817 18152 3008 1 5 . 1 1 43 43 VAL N N 43 121.961 121.961 120.719 1.242 18152 3009 1 5 . 1 1 43 43 VAL HA H 43 4.481 4.481 4.929 -0.448 18152 3010 1 5 . 1 1 43 43 VAL C C 43 174.308 174.308 175.597 -1.289 18152 3011 1 5 . 1 1 43 43 VAL CA C 43 61.079 61.079 61.127 -0.048 18152 3012 1 5 . 1 1 43 43 VAL CB C 43 32.911 32.911 32.494 0.417 18152 3013 1 5 . 1 1 43 43 VAL H H 43 8.247 8.247 7.740 0.507 18152 3014 1 5 . 1 1 44 44 GLY N N 44 114.325 114.325 114.421 -0.096 18152 3015 1 5 . 1 1 44 44 GLY C C 44 172.465 172.465 171.658 0.807 18152 3016 1 5 . 1 1 44 44 GLY CA C 44 43.458 43.458 45.644 -2.186 18152 3017 1 5 . 1 1 44 44 GLY H H 44 9.063 9.063 8.162 0.901 18152 3018 1 5 . 1 1 45 45 MET N N 45 125.031 125.031 119.517 5.514 18152 3019 1 5 . 1 1 45 45 MET HA H 45 4.742 4.742 5.346 -0.604 18152 3020 1 5 . 1 1 45 45 MET C C 45 173.873 173.873 173.976 -0.103 18152 3021 1 5 . 1 1 45 45 MET CA C 45 54.084 54.084 53.638 0.446 18152 3022 1 5 . 1 1 45 45 MET CB C 45 34.548 34.548 35.741 -1.193 18152 3023 1 5 . 1 1 45 45 MET H H 45 8.966 8.966 8.593 0.373 18152 3024 1 5 . 1 1 46 46 PHE N N 46 127.637 127.637 125.399 2.238 18152 3025 1 5 . 1 1 46 46 PHE HA H 46 3.611 3.611 4.292 -0.681 18152 3026 1 5 . 1 1 46 46 PHE C C 46 175.023 175.023 173.750 1.273 18152 3027 1 5 . 1 1 46 46 PHE CA C 46 59.286 59.286 58.112 1.174 18152 3028 1 5 . 1 1 46 46 PHE CB C 46 40.644 40.644 40.027 0.617 18152 3029 1 5 . 1 1 46 46 PHE H H 46 8.790 8.790 8.185 0.605 18152 3030 1 5 . 1 1 47 47 VAL N N 47 130.695 130.695 127.943 2.752 18152 3031 1 5 . 1 1 47 47 VAL HA H 47 3.663 3.663 3.652 0.011 18152 3032 1 5 . 1 1 47 47 VAL C C 47 174.235 174.235 174.353 -0.118 18152 3033 1 5 . 1 1 47 47 VAL CA C 47 61.455 61.455 61.515 -0.060 18152 3034 1 5 . 1 1 47 47 VAL CB C 47 32.002 32.002 31.497 0.505 18152 3035 1 5 . 1 1 47 47 VAL H H 47 7.942 7.942 7.418 0.524 18152 3036 1 5 . 1 1 48 48 SER N N 48 120.391 120.391 123.573 -3.182 18152 3037 1 5 . 1 1 48 48 SER HA H 48 4.626 4.626 4.471 0.155 18152 3038 1 5 . 1 1 48 48 SER C C 48 173.167 173.167 173.414 -0.247 18152 3039 1 5 . 1 1 48 48 SER CA C 48 57.384 57.384 56.766 0.618 18152 3040 1 5 . 1 1 48 48 SER CB C 48 65.720 65.720 65.414 0.306 18152 3041 1 5 . 1 1 48 48 SER H H 48 7.971 7.971 8.216 -0.245 18152 3042 1 5 . 1 1 49 49 ASP N N 49 117.498 117.498 118.950 -1.452 18152 3043 1 5 . 1 1 49 49 ASP HA H 49 4.603 4.603 4.749 -0.146 18152 3044 1 5 . 1 1 49 49 ASP C C 49 174.539 174.539 176.659 -2.120 18152 3045 1 5 . 1 1 49 49 ASP CA C 49 55.222 55.222 54.892 0.330 18152 3046 1 5 . 1 1 49 49 ASP CB C 49 40.206 40.206 41.188 -0.981 18152 3047 1 5 . 1 1 49 49 ASP H H 49 8.701 8.701 8.734 -0.033 18152 3048 1 5 . 1 1 50 50 VAL N N 50 109.465 109.465 112.610 -3.145 18152 3049 1 5 . 1 1 50 50 VAL HA H 50 4.455 4.455 4.550 -0.095 18152 3050 1 5 . 1 1 50 50 VAL C C 50 174.487 174.487 176.319 -1.832 18152 3051 1 5 . 1 1 50 50 VAL CA C 50 60.840 60.840 62.389 -1.549 18152 3052 1 5 . 1 1 50 50 VAL CB C 50 32.067 32.067 33.483 -1.416 18152 3053 1 5 . 1 1 50 50 VAL H H 50 7.770 7.770 7.448 0.322 18152 3054 1 5 . 1 1 51 51 THR N N 51 110.572 110.572 115.879 -5.307 18152 3055 1 5 . 1 1 51 51 THR HA H 51 5.293 5.293 4.531 0.762 18152 3056 1 5 . 1 1 51 51 THR C C 51 174.591 174.591 175.019 -0.428 18152 3057 1 5 . 1 1 51 51 THR CA C 51 58.487 58.487 62.027 -3.540 18152 3058 1 5 . 1 1 51 51 THR CB C 51 71.674 71.674 69.765 1.909 18152 3059 1 5 . 1 1 51 51 THR H H 51 7.095 7.095 8.327 -1.232 18152 3060 1 5 . 1 1 52 52 THR N N 52 109.706 109.706 116.833 -7.127 18152 3061 1 5 . 1 1 52 52 THR HA H 52 4.988 4.988 4.853 0.135 18152 3062 1 5 . 1 1 52 52 THR C C 52 177.060 177.060 172.732 4.328 18152 3063 1 5 . 1 1 52 52 THR CA C 52 59.777 59.777 61.054 -1.278 18152 3064 1 5 . 1 1 52 52 THR CB C 52 72.911 72.911 71.609 1.302 18152 3065 1 5 . 1 1 52 52 THR H H 52 8.836 8.836 9.158 -0.322 18152 3066 1 5 . 1 1 53 53 THR N N 53 113.970 113.970 114.633 -0.663 18152 3067 1 5 . 1 1 53 53 THR HA H 53 4.601 4.601 4.960 -0.359 18152 3068 1 5 . 1 1 53 53 THR C C 53 176.085 176.085 173.294 2.791 18152 3069 1 5 . 1 1 53 53 THR CA C 53 60.920 60.920 58.175 2.745 18152 3070 1 5 . 1 1 53 53 THR CB C 53 67.192 67.192 70.191 -2.999 18152 3071 1 5 . 1 1 53 53 THR H H 53 8.857 8.857 8.403 0.454 18152 3072 1 5 . 1 1 54 54 PRO HA H 54 4.023 4.023 4.534 -0.511 18152 3073 1 5 . 1 1 54 54 PRO CA C 54 64.658 64.658 62.836 1.822 18152 3074 1 5 . 1 1 54 54 PRO CB C 54 29.665 29.665 30.434 -0.769 18152 3075 1 5 . 1 1 55 55 SER N N 55 105.932 105.932 116.553 -10.621 18152 3076 1 5 . 1 1 55 55 SER HA H 55 4.448 4.448 4.338 0.110 18152 3077 1 5 . 1 1 55 55 SER C C 55 176.253 176.253 173.914 2.339 18152 3078 1 5 . 1 1 55 55 SER CA C 55 58.086 58.086 57.403 0.683 18152 3079 1 5 . 1 1 55 55 SER CB C 55 62.950 62.950 64.275 -1.325 18152 3080 1 5 . 1 1 55 55 SER H H 55 6.879 6.879 7.916 -1.037 18152 3081 1 5 . 1 1 56 56 GLY N N 56 109.826 109.826 108.936 0.890 18152 3082 1 5 . 1 1 56 56 GLY C C 56 175.832 175.832 174.152 1.680 18152 3083 1 5 . 1 1 56 56 GLY CA C 56 45.213 45.213 45.362 -0.149 18152 3084 1 5 . 1 1 56 56 GLY H H 56 7.733 7.733 7.572 0.161 18152 3085 1 5 . 1 1 57 57 GLY N N 57 105.805 105.805 110.651 -4.846 18152 3086 1 5 . 1 1 57 57 GLY C C 57 172.905 172.905 173.654 -0.749 18152 3087 1 5 . 1 1 57 57 GLY CA C 57 46.480 46.480 45.537 0.943 18152 3088 1 5 . 1 1 57 57 GLY H H 57 7.481 7.481 8.615 -1.134 18152 3089 1 5 . 1 1 58 58 GLY N N 58 109.086 109.086 109.467 -0.381 18152 3090 1 5 . 1 1 58 58 GLY C C 58 172.807 172.807 172.514 0.293 18152 3091 1 5 . 1 1 58 58 GLY CA C 58 43.642 43.642 44.553 -0.911 18152 3092 1 5 . 1 1 58 58 GLY H H 58 7.549 7.549 7.853 -0.304 18152 3093 1 5 . 1 1 59 59 HIS N N 59 127.776 127.776 121.818 5.958 18152 3094 1 5 . 1 1 59 59 HIS HA H 59 5.162 5.162 4.756 0.406 18152 3095 1 5 . 1 1 59 59 HIS C C 59 174.930 174.930 174.374 0.556 18152 3096 1 5 . 1 1 59 59 HIS CA C 59 52.820 52.820 55.030 -2.210 18152 3097 1 5 . 1 1 59 59 HIS CB C 59 30.250 30.250 30.377 -0.127 18152 3098 1 5 . 1 1 59 59 HIS H H 59 9.517 9.517 8.674 0.843 18152 3099 1 5 . 1 1 60 60 THR N N 60 127.768 127.768 125.482 2.286 18152 3100 1 5 . 1 1 60 60 THR HA H 60 4.870 4.870 5.113 -0.243 18152 3101 1 5 . 1 1 60 60 THR C C 60 171.847 171.847 172.978 -1.131 18152 3102 1 5 . 1 1 60 60 THR CA C 60 61.358 61.358 62.179 -0.821 18152 3103 1 5 . 1 1 60 60 THR CB C 60 69.821 69.821 69.800 0.021 18152 3104 1 5 . 1 1 60 60 THR H H 60 9.769 9.769 9.117 0.652 18152 3105 1 5 . 1 1 61 61 VAL N N 61 126.493 126.493 127.624 -1.131 18152 3106 1 5 . 1 1 61 61 VAL HA H 61 4.641 4.641 4.724 -0.083 18152 3107 1 5 . 1 1 61 61 VAL C C 61 173.794 173.794 174.493 -0.699 18152 3108 1 5 . 1 1 61 61 VAL CA C 61 59.808 59.808 60.800 -0.992 18152 3109 1 5 . 1 1 61 61 VAL CB C 61 33.334 33.334 33.600 -0.266 18152 3110 1 5 . 1 1 61 61 VAL H H 61 8.534 8.534 8.776 -0.242 18152 3111 1 5 . 1 1 62 62 LEU N N 62 126.342 126.342 129.337 -2.995 18152 3112 1 5 . 1 1 62 62 LEU HA H 62 5.345 5.345 5.052 0.293 18152 3113 1 5 . 1 1 62 62 LEU C C 62 175.554 175.554 175.505 0.049 18152 3114 1 5 . 1 1 62 62 LEU CA C 62 51.143 51.143 53.182 -2.039 18152 3115 1 5 . 1 1 62 62 LEU CB C 62 43.344 43.344 45.175 -1.831 18152 3116 1 5 . 1 1 62 62 LEU H H 62 9.284 9.284 9.441 -0.157 18152 3117 1 5 . 1 1 63 63 SER N N 63 116.370 116.370 116.103 0.267 18152 3118 1 5 . 1 1 63 63 SER HA H 63 5.328 5.328 5.748 -0.420 18152 3119 1 5 . 1 1 63 63 SER C C 63 174.576 174.576 173.489 1.087 18152 3120 1 5 . 1 1 63 63 SER CA C 63 54.893 54.893 56.425 -1.532 18152 3121 1 5 . 1 1 63 63 SER CB C 63 64.901 64.901 66.515 -1.614 18152 3122 1 5 . 1 1 63 63 SER H H 63 9.117 9.117 8.892 0.225 18152 3123 1 5 . 1 1 64 64 GLY N N 64 111.783 111.783 109.481 2.302 18152 3124 1 5 . 1 1 64 64 GLY C C 64 173.058 173.058 171.604 1.454 18152 3125 1 5 . 1 1 64 64 GLY CA C 64 45.547 45.547 45.127 0.420 18152 3126 1 5 . 1 1 64 64 GLY H H 64 8.723 8.723 7.978 0.745 18152 3127 1 5 . 1 1 74 74 GLY C C 74 173.703 173.703 175.779 -2.076 18152 3128 1 5 . 1 1 74 74 GLY CA C 74 45.507 45.507 46.119 -0.612 18152 3129 1 5 . 1 1 75 75 GLN N N 75 116.093 116.093 119.234 -3.141 18152 3130 1 5 . 1 1 75 75 GLN HA H 75 4.229 4.229 4.296 -0.067 18152 3131 1 5 . 1 1 75 75 GLN C C 75 177.319 177.319 177.081 0.238 18152 3132 1 5 . 1 1 75 75 GLN CA C 75 56.016 56.016 57.371 -1.355 18152 3133 1 5 . 1 1 75 75 GLN CB C 75 29.310 29.310 29.281 0.029 18152 3134 1 5 . 1 1 75 75 GLN H H 75 7.598 7.598 7.720 -0.122 18152 3135 1 5 . 1 1 76 76 LEU N N 76 117.894 117.894 116.906 0.988 18152 3136 1 5 . 1 1 76 76 LEU HA H 76 4.373 4.373 4.561 -0.188 18152 3137 1 5 . 1 1 76 76 LEU C C 76 175.639 175.639 175.173 0.466 18152 3138 1 5 . 1 1 76 76 LEU CA C 76 54.578 54.578 54.656 -0.078 18152 3139 1 5 . 1 1 76 76 LEU CB C 76 41.720 41.720 41.640 0.080 18152 3140 1 5 . 1 1 76 76 LEU H H 76 7.285 7.285 7.503 -0.218 18152 3141 1 5 . 1 1 77 77 LYS N N 77 122.287 122.287 120.198 2.089 18152 3142 1 5 . 1 1 77 77 LYS HA H 77 4.545 4.545 4.361 0.184 18152 3143 1 5 . 1 1 77 77 LYS C C 77 175.553 175.553 176.187 -0.634 18152 3144 1 5 . 1 1 77 77 LYS CA C 77 53.336 53.336 56.087 -2.751 18152 3145 1 5 . 1 1 77 77 LYS CB C 77 36.380 36.380 33.782 2.598 18152 3146 1 5 . 1 1 77 77 LYS H H 77 9.513 9.513 7.623 1.890 18152 3147 1 5 . 1 1 78 78 GLU N N 78 118.949 118.949 121.128 -2.179 18152 3148 1 5 . 1 1 78 78 GLU HA H 78 3.523 3.523 4.307 -0.784 18152 3149 1 5 . 1 1 78 78 GLU C C 78 177.053 177.053 176.562 0.491 18152 3150 1 5 . 1 1 78 78 GLU CA C 78 59.205 59.205 58.148 1.057 18152 3151 1 5 . 1 1 78 78 GLU CB C 78 28.284 28.284 29.702 -1.418 18152 3152 1 5 . 1 1 78 78 GLU H H 78 8.900 8.900 8.923 -0.023 18152 3153 1 5 . 1 1 79 79 LYS N N 79 114.843 114.843 115.895 -1.052 18152 3154 1 5 . 1 1 79 79 LYS HA H 79 3.751 3.751 4.320 -0.569 18152 3155 1 5 . 1 1 79 79 LYS C C 79 176.434 176.434 176.456 -0.022 18152 3156 1 5 . 1 1 79 79 LYS CA C 79 59.231 59.231 56.000 3.231 18152 3157 1 5 . 1 1 79 79 LYS CB C 79 29.657 29.657 32.045 -2.388 18152 3158 1 5 . 1 1 79 79 LYS H H 79 8.909 8.909 7.904 1.005 18152 3159 1 5 . 1 1 80 80 ASP N N 80 119.664 119.664 120.896 -1.232 18152 3160 1 5 . 1 1 80 80 ASP HA H 80 4.946 4.946 4.658 0.288 18152 3161 1 5 . 1 1 80 80 ASP C C 80 175.886 175.886 175.345 0.541 18152 3162 1 5 . 1 1 80 80 ASP CA C 80 55.661 55.661 55.212 0.448 18152 3163 1 5 . 1 1 80 80 ASP CB C 80 41.782 41.782 42.123 -0.341 18152 3164 1 5 . 1 1 80 80 ASP H H 80 8.052 8.052 7.651 0.401 18152 3165 1 5 . 1 1 81 81 THR N N 81 111.597 111.597 114.345 -2.748 18152 3166 1 5 . 1 1 81 81 THR HA H 81 5.321 5.321 4.837 0.484 18152 3167 1 5 . 1 1 81 81 THR C C 81 174.221 174.221 173.737 0.484 18152 3168 1 5 . 1 1 81 81 THR CA C 81 61.103 61.103 61.600 -0.497 18152 3169 1 5 . 1 1 81 81 THR CB C 81 71.264 71.264 70.439 0.825 18152 3170 1 5 . 1 1 81 81 THR H H 81 8.083 8.083 8.201 -0.118 18152 3171 1 5 . 1 1 82 82 LEU N N 82 120.358 120.358 127.062 -6.704 18152 3172 1 5 . 1 1 82 82 LEU HA H 82 4.836 4.836 4.822 0.014 18152 3173 1 5 . 1 1 82 82 LEU C C 82 174.850 174.850 175.921 -1.071 18152 3174 1 5 . 1 1 82 82 LEU CA C 82 53.721 53.721 54.292 -0.571 18152 3175 1 5 . 1 1 82 82 LEU CB C 82 45.655 45.655 42.653 3.002 18152 3176 1 5 . 1 1 82 82 LEU H H 82 8.684 8.684 8.758 -0.074 18152 3177 1 5 . 1 1 83 83 VAL N N 83 121.834 121.834 123.553 -1.719 18152 3178 1 5 . 1 1 83 83 VAL HA H 83 5.269 5.269 5.401 -0.132 18152 3179 1 5 . 1 1 83 83 VAL C C 83 174.766 174.766 175.222 -0.456 18152 3180 1 5 . 1 1 83 83 VAL CA C 83 61.157 61.157 60.619 0.538 18152 3181 1 5 . 1 1 83 83 VAL CB C 83 34.923 34.923 32.996 1.927 18152 3182 1 5 . 1 1 83 83 VAL H H 83 8.670 8.670 9.341 -0.671 18152 3183 1 5 . 1 1 84 84 LEU N N 84 129.811 129.811 129.056 0.755 18152 3184 1 5 . 1 1 84 84 LEU HA H 84 5.647 5.647 5.454 0.193 18152 3185 1 5 . 1 1 84 84 LEU C C 84 175.644 175.644 176.337 -0.693 18152 3186 1 5 . 1 1 84 84 LEU CA C 84 53.160 53.160 53.200 -0.040 18152 3187 1 5 . 1 1 84 84 LEU CB C 84 46.815 46.815 44.002 2.813 18152 3188 1 5 . 1 1 84 84 LEU H H 84 10.025 10.025 9.451 0.574 18152 3189 1 5 . 1 1 85 85 GLU N N 85 125.273 125.273 124.154 1.119 18152 3190 1 5 . 1 1 85 85 GLU HA H 85 5.293 5.293 5.392 -0.099 18152 3191 1 5 . 1 1 85 85 GLU C C 85 175.910 175.910 175.484 0.426 18152 3192 1 5 . 1 1 85 85 GLU CA C 85 54.716 54.716 55.323 -0.607 18152 3193 1 5 . 1 1 85 85 GLU CB C 85 30.904 30.904 31.348 -0.444 18152 3194 1 5 . 1 1 85 85 GLU H H 85 9.117 9.117 8.938 0.179 18152 3195 1 5 . 1 1 86 86 TYR N N 86 125.299 125.299 127.082 -1.783 18152 3196 1 5 . 1 1 86 86 TYR HA H 86 4.825 4.825 4.778 0.047 18152 3197 1 5 . 1 1 86 86 TYR C C 86 174.077 174.077 174.645 -0.568 18152 3198 1 5 . 1 1 86 86 TYR CA C 86 57.516 57.516 57.717 -0.201 18152 3199 1 5 . 1 1 86 86 TYR CB C 86 41.720 41.720 42.254 -0.534 18152 3200 1 5 . 1 1 86 86 TYR H H 86 9.056 9.056 9.316 -0.260 18152 3201 1 5 . 1 1 87 87 ASP N N 87 131.006 131.006 129.302 1.704 18152 3202 1 5 . 1 1 87 87 ASP HA H 87 3.921 3.921 4.310 -0.389 18152 3203 1 5 . 1 1 87 87 ASP C C 87 171.773 171.773 175.661 -3.888 18152 3204 1 5 . 1 1 87 87 ASP CA C 87 54.613 54.613 55.327 -0.714 18152 3205 1 5 . 1 1 87 87 ASP CB C 87 39.659 39.659 39.791 -0.133 18152 3206 1 5 . 1 1 87 87 ASP H H 87 9.071 9.071 9.314 -0.243 18152 3207 1 5 . 1 1 88 88 ASN N N 88 109.843 109.843 110.666 -0.823 18152 3208 1 5 . 1 1 88 88 ASN HA H 88 4.159 4.159 4.298 -0.139 18152 3209 1 5 . 1 1 88 88 ASN C C 88 173.995 173.995 174.491 -0.496 18152 3210 1 5 . 1 1 88 88 ASN CA C 88 54.528 54.528 54.797 -0.269 18152 3211 1 5 . 1 1 88 88 ASN CB C 88 37.383 37.383 38.185 -0.802 18152 3212 1 5 . 1 1 88 88 ASN H H 88 8.613 8.613 8.853 -0.240 18152 3213 1 5 . 1 1 89 89 LYS N N 89 119.021 119.021 118.948 0.073 18152 3214 1 5 . 1 1 89 89 LYS HA H 89 4.714 4.714 4.995 -0.281 18152 3215 1 5 . 1 1 89 89 LYS C C 89 174.644 174.644 175.623 -0.979 18152 3216 1 5 . 1 1 89 89 LYS CA C 89 55.133 55.133 55.708 -0.575 18152 3217 1 5 . 1 1 89 89 LYS CB C 89 36.460 36.460 36.075 0.384 18152 3218 1 5 . 1 1 89 89 LYS H H 89 7.903 7.903 7.647 0.256 18152 3219 1 5 . 1 1 90 90 THR N N 90 117.141 117.141 120.011 -2.870 18152 3220 1 5 . 1 1 90 90 THR HA H 90 4.819 4.819 5.375 -0.556 18152 3221 1 5 . 1 1 90 90 THR C C 90 172.823 172.823 174.197 -1.374 18152 3222 1 5 . 1 1 90 90 THR CA C 90 61.745 61.745 61.900 -0.155 18152 3223 1 5 . 1 1 90 90 THR CB C 90 69.709 69.709 69.807 -0.098 18152 3224 1 5 . 1 1 90 90 THR H H 90 8.451 8.451 9.228 -0.777 18152 3225 1 5 . 1 1 91 91 TYR N N 91 127.333 127.333 128.433 -1.100 18152 3226 1 5 . 1 1 91 91 TYR HA H 91 4.620 4.620 4.681 -0.061 18152 3227 1 5 . 1 1 91 91 TYR C C 91 174.313 174.313 175.734 -1.421 18152 3228 1 5 . 1 1 91 91 TYR CA C 91 56.764 56.764 57.357 -0.593 18152 3229 1 5 . 1 1 91 91 TYR CB C 91 41.054 41.054 40.050 1.004 18152 3230 1 5 . 1 1 91 91 TYR H H 91 9.552 9.552 9.992 -0.440 18152 3231 1 5 . 1 1 92 92 THR N N 92 117.709 117.709 120.254 -2.545 18152 3232 1 5 . 1 1 92 92 THR HA H 92 4.941 4.941 4.723 0.218 18152 3233 1 5 . 1 1 92 92 THR C C 92 172.464 172.464 173.204 -0.740 18152 3234 1 5 . 1 1 92 92 THR CA C 92 61.320 61.320 61.917 -0.597 18152 3235 1 5 . 1 1 92 92 THR CB C 92 69.546 69.546 68.886 0.660 18152 3236 1 5 . 1 1 92 92 THR H H 92 8.705 8.705 9.262 -0.557 18152 3237 1 5 . 1 1 93 93 TYR N N 93 122.946 122.946 126.401 -3.455 18152 3238 1 5 . 1 1 93 93 TYR HA H 93 5.431 5.431 5.362 0.069 18152 3239 1 5 . 1 1 93 93 TYR C C 93 174.846 174.846 174.860 -0.014 18152 3240 1 5 . 1 1 93 93 TYR CA C 93 55.804 55.804 56.646 -0.842 18152 3241 1 5 . 1 1 93 93 TYR CB C 93 42.627 42.627 42.042 0.585 18152 3242 1 5 . 1 1 93 93 TYR H H 93 9.381 9.381 9.650 -0.269 18152 3243 1 5 . 1 1 94 94 GLU N N 94 121.240 121.240 121.459 -0.219 18152 3244 1 5 . 1 1 94 94 GLU HA H 94 4.901 4.901 5.021 -0.120 18152 3245 1 5 . 1 1 94 94 GLU C C 94 177.060 177.060 175.746 1.314 18152 3246 1 5 . 1 1 94 94 GLU CA C 94 54.073 54.073 53.742 0.332 18152 3247 1 5 . 1 1 94 94 GLU CB C 94 33.787 33.787 34.052 -0.265 18152 3248 1 5 . 1 1 94 94 GLU H H 94 9.100 9.100 9.263 -0.163 18152 3249 1 5 . 1 1 95 95 ILE N N 95 128.525 128.525 126.986 1.539 18152 3250 1 5 . 1 1 95 95 ILE HA H 95 3.737 3.737 4.196 -0.459 18152 3251 1 5 . 1 1 95 95 ILE C C 95 176.261 176.261 176.745 -0.484 18152 3252 1 5 . 1 1 95 95 ILE CA C 95 64.664 64.664 62.511 2.153 18152 3253 1 5 . 1 1 95 95 ILE CB C 95 37.472 37.472 36.039 1.433 18152 3254 1 5 . 1 1 95 95 ILE H H 95 9.293 9.293 8.423 0.870 18152 3255 1 5 . 1 1 96 96 GLN N N 96 127.221 127.221 128.167 -0.946 18152 3256 1 5 . 1 1 96 96 GLN HA H 96 4.831 4.831 4.422 0.409 18152 3257 1 5 . 1 1 96 96 GLN C C 96 174.674 174.674 176.079 -1.405 18152 3258 1 5 . 1 1 96 96 GLN CA C 96 54.632 54.632 56.699 -2.067 18152 3259 1 5 . 1 1 96 96 GLN CB C 96 31.165 31.165 30.116 1.049 18152 3260 1 5 . 1 1 96 96 GLN H H 96 10.106 10.106 8.632 1.474 18152 3261 1 5 . 1 1 97 97 LYS N N 97 120.717 120.717 118.873 1.844 18152 3262 1 5 . 1 1 97 97 LYS HA H 97 4.658 4.658 4.616 0.042 18152 3263 1 5 . 1 1 97 97 LYS C C 97 173.200 173.200 174.331 -1.131 18152 3264 1 5 . 1 1 97 97 LYS CA C 97 56.528 56.528 55.884 0.644 18152 3265 1 5 . 1 1 97 97 LYS CB C 97 36.462 36.462 35.149 1.313 18152 3266 1 5 . 1 1 97 97 LYS H H 97 7.958 7.958 7.708 0.250 18152 3267 1 5 . 1 1 98 98 ILE N N 98 125.089 125.089 125.076 0.013 18152 3268 1 5 . 1 1 98 98 ILE HA H 98 5.221 5.221 4.664 0.557 18152 3269 1 5 . 1 1 98 98 ILE C C 98 175.821 175.821 175.595 0.226 18152 3270 1 5 . 1 1 98 98 ILE CA C 98 60.078 60.078 60.279 -0.201 18152 3271 1 5 . 1 1 98 98 ILE CB C 98 42.082 42.082 39.424 2.658 18152 3272 1 5 . 1 1 98 98 ILE H H 98 8.458 8.458 8.543 -0.085 18152 3273 1 5 . 1 1 99 99 TRP N N 99 129.003 129.003 126.970 2.033 18152 3274 1 5 . 1 1 99 99 TRP HA H 99 4.661 4.661 4.991 -0.330 18152 3275 1 5 . 1 1 99 99 TRP C C 99 170.353 170.353 172.842 -2.489 18152 3276 1 5 . 1 1 99 99 TRP CA C 99 56.388 56.388 55.785 0.603 18152 3277 1 5 . 1 1 99 99 TRP CB C 99 31.158 31.158 30.420 0.738 18152 3278 1 5 . 1 1 99 99 TRP H H 99 9.291 9.291 8.216 1.075 18152 3279 1 5 . 1 1 100 100 ILE N N 100 117.739 117.739 119.896 -2.157 18152 3280 1 5 . 1 1 100 100 ILE HA H 100 4.616 4.616 4.724 -0.108 18152 3281 1 5 . 1 1 100 100 ILE C C 100 176.258 176.258 175.315 0.943 18152 3282 1 5 . 1 1 100 100 ILE CA C 100 58.973 58.973 60.088 -1.115 18152 3283 1 5 . 1 1 100 100 ILE CB C 100 40.734 40.734 41.638 -0.904 18152 3284 1 5 . 1 1 100 100 ILE H H 100 7.778 7.778 8.366 -0.588 18152 3285 1 5 . 1 1 101 101 THR N N 101 120.676 120.676 118.825 1.851 18152 3286 1 5 . 1 1 101 101 THR HA H 101 4.755 4.755 4.786 -0.031 18152 3287 1 5 . 1 1 101 101 THR C C 101 172.069 172.069 172.555 -0.486 18152 3288 1 5 . 1 1 101 101 THR CA C 101 57.557 57.557 59.457 -1.900 18152 3289 1 5 . 1 1 101 101 THR CB C 101 70.656 70.656 71.030 -0.374 18152 3290 1 5 . 1 1 101 101 THR H H 101 8.587 8.587 8.688 -0.101 18152 3291 1 5 . 1 1 102 102 HIS N N 102 119.885 119.885 119.838 0.047 18152 3292 1 5 . 1 1 102 102 HIS HA H 102 5.401 5.401 4.682 0.719 18152 3293 1 5 . 1 1 102 102 HIS C C 102 176.781 176.781 176.397 0.384 18152 3294 1 5 . 1 1 102 102 HIS CA C 102 54.482 54.482 57.501 -3.019 18152 3295 1 5 . 1 1 102 102 HIS CB C 102 31.240 31.240 31.369 -0.129 18152 3296 1 5 . 1 1 102 102 HIS H H 102 8.194 8.194 8.676 -0.482 18152 3297 1 5 . 1 1 103 103 ALA N N 103 121.632 121.632 126.918 -5.286 18152 3298 1 5 . 1 1 103 103 ALA HA H 103 3.710 3.710 4.126 -0.416 18152 3299 1 5 . 1 1 103 103 ALA C C 103 177.587 177.587 176.625 0.962 18152 3300 1 5 . 1 1 103 103 ALA CA C 103 54.899 54.899 53.993 0.906 18152 3301 1 5 . 1 1 103 103 ALA CB C 103 17.981 17.981 18.941 -0.960 18152 3302 1 5 . 1 1 103 103 ALA H H 103 8.405 8.405 8.948 -0.543 18152 3303 1 5 . 1 1 104 104 ASP N N 104 114.513 114.513 117.236 -2.723 18152 3304 1 5 . 1 1 104 104 ASP HA H 104 4.603 4.603 4.721 -0.118 18152 3305 1 5 . 1 1 104 104 ASP C C 104 175.283 175.283 174.528 0.755 18152 3306 1 5 . 1 1 104 104 ASP CA C 104 53.070 53.070 53.164 -0.094 18152 3307 1 5 . 1 1 104 104 ASP CB C 104 40.034 40.034 41.696 -1.661 18152 3308 1 5 . 1 1 104 104 ASP H H 104 8.314 8.314 7.858 0.456 18152 3309 1 5 . 1 1 105 105 ASP N N 105 119.184 119.184 121.534 -2.350 18152 3310 1 5 . 1 1 105 105 ASP HA H 105 4.170 4.170 4.768 -0.598 18152 3311 1 5 . 1 1 105 105 ASP C C 105 177.674 177.674 177.327 0.347 18152 3312 1 5 . 1 1 105 105 ASP CA C 105 54.268 54.268 52.765 1.503 18152 3313 1 5 . 1 1 105 105 ASP CB C 105 39.846 39.846 41.217 -1.371 18152 3314 1 5 . 1 1 105 105 ASP H H 105 7.043 7.043 7.773 -0.730 18152 3315 1 5 . 1 1 106 106 ARG N N 106 127.998 127.998 125.682 2.316 18152 3316 1 5 . 1 1 106 106 ARG HA H 106 4.368 4.368 4.101 0.267 18152 3317 1 5 . 1 1 106 106 ARG C C 106 177.709 177.709 177.987 -0.278 18152 3318 1 5 . 1 1 106 106 ARG CA C 106 55.888 55.888 58.737 -2.849 18152 3319 1 5 . 1 1 106 106 ARG CB C 106 29.264 29.264 29.247 0.017 18152 3320 1 5 . 1 1 106 106 ARG H H 106 8.921 8.921 8.340 0.581 18152 3321 1 5 . 1 1 107 107 THR N N 107 111.880 111.880 113.495 -1.615 18152 3322 1 5 . 1 1 107 107 THR HA H 107 4.139 4.139 4.046 0.093 18152 3323 1 5 . 1 1 107 107 THR C C 107 173.548 173.548 175.166 -1.618 18152 3324 1 5 . 1 1 107 107 THR CA C 107 62.350 62.350 65.194 -2.844 18152 3325 1 5 . 1 1 107 107 THR CB C 107 68.935 68.935 68.032 0.903 18152 3326 1 5 . 1 1 107 107 THR H H 107 8.857 8.857 8.396 0.461 18152 3327 1 5 . 1 1 108 108 VAL N N 108 118.971 118.971 117.530 1.441 18152 3328 1 5 . 1 1 108 108 VAL HA H 108 3.942 3.942 4.321 -0.379 18152 3329 1 5 . 1 1 108 108 VAL C C 108 176.853 176.853 176.091 0.762 18152 3330 1 5 . 1 1 108 108 VAL CA C 108 63.878 63.878 63.235 0.643 18152 3331 1 5 . 1 1 108 108 VAL CB C 108 32.470 32.470 33.243 -0.773 18152 3332 1 5 . 1 1 108 108 VAL H H 108 6.811 6.811 7.383 -0.572 18152 3333 1 5 . 1 1 109 109 ILE N N 109 120.334 120.334 119.621 0.713 18152 3334 1 5 . 1 1 109 109 ILE HA H 109 3.438 3.438 4.374 -0.936 18152 3335 1 5 . 1 1 109 109 ILE C C 109 173.191 173.191 175.672 -2.481 18152 3336 1 5 . 1 1 109 109 ILE CA C 109 60.963 60.963 59.617 1.346 18152 3337 1 5 . 1 1 109 109 ILE CB C 109 33.933 33.933 37.103 -3.170 18152 3338 1 5 . 1 1 109 109 ILE H H 109 8.053 8.053 8.146 -0.093 18152 3339 1 5 . 1 1 110 110 ILE N N 110 118.981 118.981 119.024 -0.043 18152 3340 1 5 . 1 1 110 110 ILE HA H 110 4.542 4.542 4.552 -0.010 18152 3341 1 5 . 1 1 110 110 ILE C C 110 174.405 174.405 174.468 -0.063 18152 3342 1 5 . 1 1 110 110 ILE CA C 110 57.932 57.932 59.227 -1.294 18152 3343 1 5 . 1 1 110 110 ILE CB C 110 42.146 42.146 38.662 3.484 18152 3344 1 5 . 1 1 110 110 ILE H H 110 6.877 6.877 7.724 -0.847 18152 3345 1 5 . 1 1 111 111 LYS N N 111 123.307 123.307 119.625 3.682 18152 3346 1 5 . 1 1 111 111 LYS HA H 111 4.609 4.609 4.650 -0.041 18152 3347 1 5 . 1 1 111 111 LYS C C 111 176.528 176.528 175.953 0.575 18152 3348 1 5 . 1 1 111 111 LYS CA C 111 56.695 56.695 55.380 1.315 18152 3349 1 5 . 1 1 111 111 LYS CB C 111 33.092 33.092 33.866 -0.774 18152 3350 1 5 . 1 1 111 111 LYS H H 111 8.492 8.492 8.084 0.408 18152 3351 1 5 . 1 1 112 112 LYS N N 112 121.425 121.425 123.766 -2.341 18152 3352 1 5 . 1 1 112 112 LYS HA H 112 4.706 4.706 4.446 0.260 18152 3353 1 5 . 1 1 112 112 LYS C C 112 175.996 175.996 175.861 0.135 18152 3354 1 5 . 1 1 112 112 LYS CA C 112 53.271 53.271 55.571 -2.300 18152 3355 1 5 . 1 1 112 112 LYS CB C 112 36.089 36.089 34.746 1.343 18152 3356 1 5 . 1 1 112 112 LYS H H 112 8.351 8.351 8.793 -0.442 18152 3357 1 5 . 1 1 113 113 GLU N N 113 119.533 119.533 122.014 -2.481 18152 3358 1 5 . 1 1 113 113 GLU HA H 113 4.372 4.372 4.297 0.075 18152 3359 1 5 . 1 1 113 113 GLU C C 113 174.477 174.477 175.892 -1.415 18152 3360 1 5 . 1 1 113 113 GLU CA C 113 55.175 55.175 56.364 -1.189 18152 3361 1 5 . 1 1 113 113 GLU CB C 113 29.097 29.097 30.312 -1.215 18152 3362 1 5 . 1 1 113 113 GLU H H 113 8.815 8.815 8.828 -0.013 18152 3363 1 5 . 1 1 114 114 GLU N N 114 117.843 117.843 118.876 -1.033 18152 3364 1 5 . 1 1 114 114 GLU HA H 114 4.701 4.701 4.705 -0.004 18152 3365 1 5 . 1 1 114 114 GLU C C 114 172.378 172.378 174.196 -1.818 18152 3366 1 5 . 1 1 114 114 GLU CA C 114 52.633 52.633 53.040 -0.407 18152 3367 1 5 . 1 1 114 114 GLU CB C 114 30.487 30.487 31.939 -1.452 18152 3368 1 5 . 1 1 114 114 GLU H H 114 7.426 7.426 7.731 -0.305 18152 3369 1 5 . 1 1 115 115 PRO HA H 115 4.725 4.725 4.900 -0.175 18152 3370 1 5 . 1 1 115 115 PRO CA C 115 62.352 62.352 63.129 -0.777 18152 3371 1 5 . 1 1 115 115 PRO CB C 115 30.706 30.706 30.949 -0.243 18152 3372 1 5 . 1 1 116 116 ILE N N 116 130.464 130.464 122.812 7.652 18152 3373 1 5 . 1 1 116 116 ILE HA H 116 4.785 4.785 4.741 0.044 18152 3374 1 5 . 1 1 116 116 ILE C C 116 172.992 172.992 174.482 -1.490 18152 3375 1 5 . 1 1 116 116 ILE CA C 116 56.976 56.976 58.667 -1.691 18152 3376 1 5 . 1 1 116 116 ILE CB C 116 41.420 41.420 41.019 0.401 18152 3377 1 5 . 1 1 116 116 ILE H H 116 7.830 7.830 8.416 -0.587 18152 3378 1 5 . 1 1 117 117 LEU N N 117 128.504 128.504 129.479 -0.975 18152 3379 1 5 . 1 1 117 117 LEU HA H 117 5.307 5.307 4.915 0.392 18152 3380 1 5 . 1 1 117 117 LEU C C 117 174.488 174.488 174.933 -0.445 18152 3381 1 5 . 1 1 117 117 LEU CA C 117 52.062 52.062 53.075 -1.014 18152 3382 1 5 . 1 1 117 117 LEU CB C 117 45.447 45.447 43.971 1.476 18152 3383 1 5 . 1 1 117 117 LEU H H 117 8.838 8.838 9.108 -0.270 18152 3384 1 5 . 1 1 118 118 THR N N 118 125.436 125.436 123.766 1.670 18152 3385 1 5 . 1 1 118 118 THR HA H 118 5.417 5.417 4.801 0.616 18152 3386 1 5 . 1 1 118 118 THR C C 118 173.169 173.169 172.570 0.599 18152 3387 1 5 . 1 1 118 118 THR CA C 118 60.596 60.596 62.126 -1.530 18152 3388 1 5 . 1 1 118 118 THR CB C 118 68.558 68.558 70.266 -1.708 18152 3389 1 5 . 1 1 118 118 THR H H 118 8.938 8.938 9.119 -0.181 18152 3390 1 5 . 1 1 119 119 LEU N N 119 128.310 128.310 129.888 -1.578 18152 3391 1 5 . 1 1 119 119 LEU HA H 119 5.103 5.103 4.886 0.217 18152 3392 1 5 . 1 1 119 119 LEU C C 119 174.404 174.404 174.653 -0.249 18152 3393 1 5 . 1 1 119 119 LEU CA C 119 52.439 52.439 53.314 -0.875 18152 3394 1 5 . 1 1 119 119 LEU CB C 119 44.373 44.373 44.708 -0.335 18152 3395 1 5 . 1 1 119 119 LEU H H 119 9.280 9.280 9.115 0.165 18152 3396 1 5 . 1 1 120 120 THR N N 120 117.635 117.635 120.222 -2.587 18152 3397 1 5 . 1 1 120 120 THR HA H 120 5.590 5.590 5.523 0.067 18152 3398 1 5 . 1 1 120 120 THR C C 120 172.735 172.735 174.247 -1.512 18152 3399 1 5 . 1 1 120 120 THR CA C 120 57.360 57.360 59.815 -2.455 18152 3400 1 5 . 1 1 120 120 THR CB C 120 70.136 70.136 69.773 0.363 18152 3401 1 5 . 1 1 120 120 THR H H 120 8.640 8.640 9.250 -0.610 18152 3402 1 5 . 1 1 121 121 THR N N 121 116.149 116.149 118.249 -2.100 18152 3403 1 5 . 1 1 121 121 THR HA H 121 4.766 4.766 5.642 -0.876 18152 3404 1 5 . 1 1 121 121 THR C C 121 174.145 174.145 173.420 0.725 18152 3405 1 5 . 1 1 121 121 THR CA C 121 59.550 59.550 60.082 -0.532 18152 3406 1 5 . 1 1 121 121 THR CB C 121 71.701 71.701 72.874 -1.173 18152 3407 1 5 . 1 1 121 121 THR H H 121 8.374 8.374 9.073 -0.699 18152 3408 1 5 . 1 1 123 123 TYR N N 123 121.847 121.847 120.912 0.935 18152 3409 1 5 . 1 1 123 123 TYR H H 123 7.461 7.461 7.811 -0.350 18152 3410 1 5 . 1 1 125 125 PHE N N 125 120.754 120.754 115.229 5.525 18152 3411 1 5 . 1 1 125 125 PHE HA H 125 4.420 4.420 4.304 0.116 18152 3412 1 5 . 1 1 125 125 PHE C C 125 176.083 176.083 176.491 -0.408 18152 3413 1 5 . 1 1 125 125 PHE CA C 125 58.918 58.918 60.056 -1.139 18152 3414 1 5 . 1 1 125 125 PHE CB C 125 38.624 38.624 38.102 0.522 18152 3415 1 5 . 1 1 125 125 PHE H H 125 7.334 7.334 8.550 -1.216 18152 3416 1 5 . 1 1 126 126 ASP N N 126 114.938 114.938 119.618 -4.680 18152 3417 1 5 . 1 1 126 126 ASP HA H 126 4.548 4.548 4.085 0.463 18152 3418 1 5 . 1 1 126 126 ASP C C 126 175.285 175.285 175.491 -0.206 18152 3419 1 5 . 1 1 126 126 ASP CA C 126 51.974 51.974 55.858 -3.884 18152 3420 1 5 . 1 1 126 126 ASP CB C 126 39.454 39.454 40.254 -0.800 18152 3421 1 5 . 1 1 126 126 ASP H H 126 8.179 8.179 7.204 0.975 18152 3422 1 5 . 1 1 127 127 TYR N N 127 121.170 121.170 119.393 1.777 18152 3423 1 5 . 1 1 127 127 TYR HA H 127 3.947 3.947 4.532 -0.585 18152 3424 1 5 . 1 1 127 127 TYR C C 127 175.022 175.022 174.367 0.655 18152 3425 1 5 . 1 1 127 127 TYR CA C 127 58.734 58.734 57.619 1.115 18152 3426 1 5 . 1 1 127 127 TYR CB C 127 39.330 39.330 39.858 -0.527 18152 3427 1 5 . 1 1 127 127 TYR H H 127 7.196 7.196 7.262 -0.066 18152 3428 1 5 . 1 1 128 128 ILE N N 128 127.293 127.293 126.405 0.888 18152 3429 1 5 . 1 1 128 128 ILE HA H 128 4.081 4.081 4.300 -0.219 18152 3430 1 5 . 1 1 128 128 ILE C C 128 174.579 174.579 176.434 -1.855 18152 3431 1 5 . 1 1 128 128 ILE CA C 128 60.165 60.165 60.007 0.158 18152 3432 1 5 . 1 1 128 128 ILE CB C 128 37.120 37.120 37.659 -0.539 18152 3433 1 5 . 1 1 128 128 ILE H H 128 7.634 7.634 8.086 -0.452 18152 3434 1 5 . 1 1 129 129 GLY N N 129 114.862 114.862 117.374 -2.512 18152 3435 1 5 . 1 1 129 129 GLY C C 129 172.992 172.992 173.651 -0.659 18152 3436 1 5 . 1 1 129 129 GLY CA C 129 43.458 43.458 45.012 -1.554 18152 3437 1 5 . 1 1 129 129 GLY H H 129 8.150 8.150 8.836 -0.686 18152 3438 1 5 . 1 1 130 130 ASP N N 130 122.165 122.165 125.623 -3.458 18152 3439 1 5 . 1 1 130 130 ASP HA H 130 4.639 4.639 4.908 -0.269 18152 3440 1 5 . 1 1 130 130 ASP C C 130 174.579 174.579 174.806 -0.227 18152 3441 1 5 . 1 1 130 130 ASP CA C 130 53.344 53.344 53.232 0.112 18152 3442 1 5 . 1 1 130 130 ASP CB C 130 39.979 39.979 41.214 -1.235 18152 3443 1 5 . 1 1 130 130 ASP H H 130 8.541 8.541 8.622 -0.081 18152 3444 1 5 . 1 1 131 131 ALA N N 131 129.087 129.087 126.115 2.972 18152 3445 1 5 . 1 1 131 131 ALA HA H 131 3.673 3.673 3.031 0.642 18152 3446 1 5 . 1 1 131 131 ALA C C 131 176.791 176.791 176.152 0.639 18152 3447 1 5 . 1 1 131 131 ALA CA C 131 50.186 50.186 50.328 -0.142 18152 3448 1 5 . 1 1 131 131 ALA CB C 131 17.692 17.692 17.765 -0.073 18152 3449 1 5 . 1 1 131 131 ALA H H 131 8.280 8.280 8.018 0.262 18152 3450 1 5 . 1 1 133 133 ASP N N 133 117.477 117.477 114.999 2.478 18152 3451 1 5 . 1 1 133 133 ASP HA H 133 5.512 5.512 4.779 0.733 18152 3452 1 5 . 1 1 133 133 ASP C C 133 175.988 175.988 174.522 1.466 18152 3453 1 5 . 1 1 133 133 ASP CA C 133 53.067 53.067 51.609 1.458 18152 3454 1 5 . 1 1 133 133 ASP CB C 133 45.102 45.102 42.703 2.399 18152 3455 1 5 . 1 1 133 133 ASP H H 133 7.355 7.355 7.577 -0.222 18152 3456 1 5 . 1 1 134 134 ARG N N 134 120.986 120.986 119.240 1.746 18152 3457 1 5 . 1 1 134 134 ARG HA H 134 4.871 4.871 4.369 0.502 18152 3458 1 5 . 1 1 134 134 ARG C C 134 172.288 172.288 174.955 -2.667 18152 3459 1 5 . 1 1 134 134 ARG CA C 134 53.958 53.958 54.524 -0.566 18152 3460 1 5 . 1 1 134 134 ARG CB C 134 33.787 33.787 32.023 1.764 18152 3461 1 5 . 1 1 134 134 ARG H H 134 9.308 9.308 8.864 0.444 18152 3462 1 5 . 1 1 135 135 TYR N N 135 127.342 127.342 124.274 3.068 18152 3463 1 5 . 1 1 135 135 TYR HA H 135 4.037 4.037 4.361 -0.324 18152 3464 1 5 . 1 1 135 135 TYR C C 135 173.811 173.811 174.263 -0.452 18152 3465 1 5 . 1 1 135 135 TYR CA C 135 57.419 57.419 58.849 -1.430 18152 3466 1 5 . 1 1 135 135 TYR CB C 135 40.515 40.515 39.681 0.834 18152 3467 1 5 . 1 1 135 135 TYR H H 135 8.867 8.867 8.957 -0.090 18152 3468 1 5 . 1 1 136 136 ILE N N 136 128.458 128.458 127.019 1.439 18152 3469 1 5 . 1 1 136 136 ILE HA H 136 4.133 4.133 4.385 -0.252 18152 3470 1 5 . 1 1 136 136 ILE C C 136 173.610 173.610 173.780 -0.170 18152 3471 1 5 . 1 1 136 136 ILE CA C 136 58.968 58.968 58.787 0.181 18152 3472 1 5 . 1 1 136 136 ILE CB C 136 40.998 40.998 38.391 2.607 18152 3473 1 5 . 1 1 136 136 ILE H H 136 8.569 8.569 8.406 0.163 18152 3474 1 5 . 1 1 137 137 ILE N N 137 123.623 123.623 128.723 -5.100 18152 3475 1 5 . 1 1 137 137 ILE HA H 137 4.330 4.330 4.038 0.292 18152 3476 1 5 . 1 1 137 137 ILE C C 137 173.524 173.524 173.650 -0.126 18152 3477 1 5 . 1 1 137 137 ILE CA C 137 59.873 59.873 59.647 0.227 18152 3478 1 5 . 1 1 137 137 ILE CB C 137 40.767 40.767 39.582 1.185 18152 3479 1 5 . 1 1 137 137 ILE H H 137 8.263 8.263 9.084 -0.821 18152 3480 1 5 . 1 1 138 138 GLU N N 138 127.009 127.009 129.551 -2.542 18152 3481 1 5 . 1 1 138 138 GLU HA H 138 5.219 5.219 4.595 0.624 18152 3482 1 5 . 1 1 138 138 GLU C C 138 175.383 175.383 174.691 0.692 18152 3483 1 5 . 1 1 138 138 GLU CA C 138 54.895 54.895 55.202 -0.307 18152 3484 1 5 . 1 1 138 138 GLU CB C 138 33.904 33.904 32.283 1.621 18152 3485 1 5 . 1 1 138 138 GLU H H 138 9.166 9.166 8.046 1.120 18152 3486 1 5 . 1 1 139 139 ALA N N 139 132.785 132.785 128.296 4.489 18152 3487 1 5 . 1 1 139 139 ALA HA H 139 5.231 5.231 5.449 -0.218 18152 3488 1 5 . 1 1 139 139 ALA C C 139 173.789 173.789 175.031 -1.242 18152 3489 1 5 . 1 1 139 139 ALA CA C 139 50.197 50.197 50.730 -0.533 18152 3490 1 5 . 1 1 139 139 ALA CB C 139 24.262 24.262 23.464 0.798 18152 3491 1 5 . 1 1 139 139 ALA H H 139 10.313 10.313 8.888 1.425 18152 3492 1 5 . 1 1 140 140 LYS N N 140 120.672 120.672 122.929 -2.257 18152 3493 1 5 . 1 1 140 140 LYS HA H 140 5.062 5.062 5.029 0.033 18152 3494 1 5 . 1 1 140 140 LYS C C 140 175.807 175.807 175.122 0.685 18152 3495 1 5 . 1 1 140 140 LYS CA C 140 54.250 54.250 54.266 -0.016 18152 3496 1 5 . 1 1 140 140 LYS CB C 140 34.937 34.937 36.843 -1.906 18152 3497 1 5 . 1 1 140 140 LYS H H 140 8.507 8.507 8.677 -0.170 18152 3498 1 5 . 1 1 141 141 LEU N N 141 126.557 126.557 127.260 -0.703 18152 3499 1 5 . 1 1 141 141 LEU HA H 141 4.107 4.107 4.171 -0.064 18152 3500 1 5 . 1 1 141 141 LEU C C 141 177.236 177.236 176.780 0.456 18152 3501 1 5 . 1 1 141 141 LEU CA C 141 56.169 56.169 55.577 0.592 18152 3502 1 5 . 1 1 141 141 LEU CB C 141 42.408 42.408 41.982 0.426 18152 3503 1 5 . 1 1 141 141 LEU H H 141 7.560 7.560 8.407 -0.847 18152 3504 1 5 . 1 1 142 142 THR N N 142 119.454 119.454 120.667 -1.213 18152 3505 1 5 . 1 1 142 142 THR HA H 142 4.522 4.522 4.440 0.082 18152 3506 1 5 . 1 1 142 142 THR C C 142 175.187 175.187 174.710 0.477 18152 3507 1 5 . 1 1 142 142 THR CA C 142 60.915 60.915 61.556 -0.641 18152 3508 1 5 . 1 1 142 142 THR CB C 142 69.490 69.490 69.897 -0.407 18152 3509 1 5 . 1 1 142 142 THR H H 142 9.562 9.562 9.001 0.561 18152 3510 1 5 . 1 1 143 143 GLY N N 143 109.946 109.946 109.701 0.245 18152 3511 1 5 . 1 1 143 143 GLY C C 143 170.713 170.713 171.868 -1.155 18152 3512 1 5 . 1 1 143 143 GLY CA C 143 45.254 45.254 44.596 0.658 18152 3513 1 5 . 1 1 143 143 GLY H H 143 7.513 7.513 7.521 -0.009 18152 3514 1 5 . 1 1 144 144 SER N N 144 112.778 112.778 115.012 -2.234 18152 3515 1 5 . 1 1 144 144 SER HA H 144 5.059 5.059 5.084 -0.025 18152 3516 1 5 . 1 1 144 144 SER C C 144 173.178 173.178 172.371 0.807 18152 3517 1 5 . 1 1 144 144 SER CA C 144 56.393 56.393 56.715 -0.322 18152 3518 1 5 . 1 1 144 144 SER CB C 144 65.587 65.587 66.472 -0.885 18152 3519 1 5 . 1 1 144 144 SER H H 144 7.877 7.877 7.883 -0.006 18152 3520 1 5 . 1 1 145 145 TYR N N 145 119.351 119.351 119.681 -0.330 18152 3521 1 5 . 1 1 145 145 TYR HA H 145 4.755 4.755 4.721 0.034 18152 3522 1 5 . 1 1 145 145 TYR C C 145 174.580 174.580 174.551 0.029 18152 3523 1 5 . 1 1 145 145 TYR CA C 145 56.413 56.413 56.874 -0.461 18152 3524 1 5 . 1 1 145 145 TYR CB C 145 40.096 40.096 42.738 -2.642 18152 3525 1 5 . 1 1 145 145 TYR H H 145 8.374 8.374 9.069 -0.695 18152 3526 1 5 . 1 1 146 146 SER N N 146 117.533 117.533 117.272 0.261 18152 3527 1 5 . 1 1 146 146 SER HA H 146 4.564 4.564 4.718 -0.154 18152 3528 1 5 . 1 1 146 146 SER CA C 146 58.000 58.000 57.109 0.891 18152 3529 1 5 . 1 1 146 146 SER CB C 146 63.905 63.905 64.976 -1.071 18152 3530 1 5 . 1 1 146 146 SER H H 146 8.502 8.502 8.421 0.081 18152 3531 1 6 . 1 1 7 7 GLN N N 7 122.485 122.485 125.545 -3.060 18152 3532 1 6 . 1 1 7 7 GLN CA C 7 55.218 55.218 55.290 -0.072 18152 3533 1 6 . 1 1 7 7 GLN CB C 7 28.842 28.842 30.327 -1.485 18152 3534 1 6 . 1 1 7 7 GLN H H 7 8.175 8.175 8.249 -0.074 18152 3535 1 6 . 1 1 8 8 THR N N 8 115.244 115.244 109.267 5.977 18152 3536 1 6 . 1 1 8 8 THR HA H 8 4.189 4.189 3.777 0.412 18152 3537 1 6 . 1 1 8 8 THR C C 8 173.961 173.961 173.862 0.099 18152 3538 1 6 . 1 1 8 8 THR CA C 8 61.486 61.486 63.752 -2.266 18152 3539 1 6 . 1 1 8 8 THR CB C 8 69.316 69.316 68.237 1.079 18152 3540 1 6 . 1 1 8 8 THR H H 8 8.027 8.027 8.308 -0.281 18152 3541 1 6 . 1 1 9 9 GLU N N 9 123.496 123.496 121.160 2.336 18152 3542 1 6 . 1 1 9 9 GLU HA H 9 4.060 4.060 4.324 -0.264 18152 3543 1 6 . 1 1 9 9 GLU C C 9 175.555 175.555 176.918 -1.363 18152 3544 1 6 . 1 1 9 9 GLU CA C 9 55.868 55.868 55.161 0.707 18152 3545 1 6 . 1 1 9 9 GLU CB C 9 29.611 29.611 30.895 -1.284 18152 3546 1 6 . 1 1 9 9 GLU H H 9 8.225 8.225 7.798 0.427 18152 3547 1 6 . 1 1 10 10 HIS N N 10 119.084 119.084 120.115 -1.031 18152 3548 1 6 . 1 1 10 10 HIS HA H 10 4.384 4.384 4.323 0.061 18152 3549 1 6 . 1 1 10 10 HIS C C 10 173.742 173.742 174.788 -1.046 18152 3550 1 6 . 1 1 10 10 HIS CA C 10 53.932 53.932 56.495 -2.563 18152 3551 1 6 . 1 1 10 10 HIS CB C 10 28.922 28.922 27.749 1.173 18152 3552 1 6 . 1 1 10 10 HIS H H 10 7.357 7.357 8.566 -1.209 18152 3553 1 6 . 1 1 11 11 LYS N N 11 121.509 121.509 121.796 -0.287 18152 3554 1 6 . 1 1 11 11 LYS HA H 11 4.469 4.469 4.443 0.026 18152 3555 1 6 . 1 1 11 11 LYS C C 11 176.210 176.210 176.289 -0.079 18152 3556 1 6 . 1 1 11 11 LYS CA C 11 54.245 54.245 55.752 -1.507 18152 3557 1 6 . 1 1 11 11 LYS CB C 11 33.548 33.548 33.382 0.166 18152 3558 1 6 . 1 1 11 11 LYS H H 11 8.409 8.409 7.943 0.466 18152 3559 1 6 . 1 1 12 12 GLU N N 12 123.025 123.025 123.157 -0.132 18152 3560 1 6 . 1 1 12 12 GLU HA H 12 4.240 4.240 4.096 0.144 18152 3561 1 6 . 1 1 12 12 GLU C C 12 178.023 178.023 177.245 0.778 18152 3562 1 6 . 1 1 12 12 GLU CA C 12 58.350 58.350 58.352 -0.002 18152 3563 1 6 . 1 1 12 12 GLU CB C 12 29.254 29.254 29.669 -0.415 18152 3564 1 6 . 1 1 12 12 GLU H H 12 8.929 8.929 8.717 0.212 18152 3565 1 6 . 1 1 13 13 GLY N N 13 113.216 113.216 113.139 0.077 18152 3566 1 6 . 1 1 13 13 GLY C C 13 174.141 174.141 173.941 0.200 18152 3567 1 6 . 1 1 13 13 GLY CA C 13 45.243 45.243 45.322 -0.079 18152 3568 1 6 . 1 1 13 13 GLY H H 13 9.714 9.714 9.406 0.308 18152 3569 1 6 . 1 1 14 14 GLU N N 14 120.782 120.782 119.924 0.858 18152 3570 1 6 . 1 1 14 14 GLU HA H 14 4.472 4.472 4.318 0.154 18152 3571 1 6 . 1 1 14 14 GLU C C 14 176.436 176.436 175.126 1.310 18152 3572 1 6 . 1 1 14 14 GLU CA C 14 55.641 55.641 53.675 1.966 18152 3573 1 6 . 1 1 14 14 GLU CB C 14 30.989 30.989 32.256 -1.267 18152 3574 1 6 . 1 1 14 14 GLU H H 14 8.289 8.289 7.661 0.628 18152 3575 1 6 . 1 1 15 15 LYS N N 15 125.126 125.126 124.084 1.042 18152 3576 1 6 . 1 1 15 15 LYS HA H 15 4.100 4.100 3.644 0.456 18152 3577 1 6 . 1 1 15 15 LYS C C 15 176.970 176.970 176.670 0.300 18152 3578 1 6 . 1 1 15 15 LYS CA C 15 57.098 57.098 56.941 0.156 18152 3579 1 6 . 1 1 15 15 LYS CB C 15 31.680 31.680 31.353 0.327 18152 3580 1 6 . 1 1 15 15 LYS H H 15 8.978 8.978 8.092 0.886 18152 3581 1 6 . 1 1 16 16 VAL N N 16 119.214 119.214 120.074 -0.860 18152 3582 1 6 . 1 1 16 16 VAL HA H 16 4.572 4.572 4.244 0.328 18152 3583 1 6 . 1 1 16 16 VAL C C 16 174.148 174.148 174.974 -0.826 18152 3584 1 6 . 1 1 16 16 VAL CA C 16 60.141 60.141 62.038 -1.897 18152 3585 1 6 . 1 1 16 16 VAL CB C 16 34.881 34.881 33.417 1.464 18152 3586 1 6 . 1 1 16 16 VAL H H 16 8.976 8.976 8.028 0.948 18152 3587 1 6 . 1 1 17 17 ALA N N 17 121.368 121.368 120.354 1.014 18152 3588 1 6 . 1 1 17 17 ALA HA H 17 5.186 5.186 5.125 0.061 18152 3589 1 6 . 1 1 17 17 ALA C C 17 174.664 174.664 175.054 -0.390 18152 3590 1 6 . 1 1 17 17 ALA CA C 17 51.098 51.098 49.907 1.191 18152 3591 1 6 . 1 1 17 17 ALA CB C 17 22.853 22.853 22.507 0.346 18152 3592 1 6 . 1 1 17 17 ALA H H 17 8.069 8.069 7.644 0.425 18152 3593 1 6 . 1 1 18 18 MET N N 18 116.475 116.475 119.493 -3.018 18152 3594 1 6 . 1 1 18 18 MET HA H 18 5.303 5.303 5.235 0.068 18152 3595 1 6 . 1 1 18 18 MET C C 18 174.413 174.413 173.895 0.518 18152 3596 1 6 . 1 1 18 18 MET CA C 18 53.607 53.607 54.379 -0.772 18152 3597 1 6 . 1 1 18 18 MET CB C 18 35.038 35.038 37.397 -2.359 18152 3598 1 6 . 1 1 18 18 MET H H 18 8.142 8.142 8.432 -0.290 18152 3599 1 6 . 1 1 19 19 LEU N N 19 126.244 126.244 126.421 -0.177 18152 3600 1 6 . 1 1 19 19 LEU HA H 19 5.268 5.268 5.268 -0.000 18152 3601 1 6 . 1 1 19 19 LEU C C 19 173.617 173.617 174.253 -0.636 18152 3602 1 6 . 1 1 19 19 LEU CA C 19 52.851 52.851 53.426 -0.575 18152 3603 1 6 . 1 1 19 19 LEU CB C 19 44.705 44.705 44.873 -0.168 18152 3604 1 6 . 1 1 19 19 LEU H H 19 9.369 9.369 9.487 -0.118 18152 3605 1 6 . 1 1 20 20 ASN N N 20 126.596 126.596 125.759 0.837 18152 3606 1 6 . 1 1 20 20 ASN HA H 20 5.340 5.340 5.460 -0.120 18152 3607 1 6 . 1 1 20 20 ASN C C 20 174.316 174.316 173.751 0.565 18152 3608 1 6 . 1 1 20 20 ASN CA C 20 51.344 51.344 52.260 -0.915 18152 3609 1 6 . 1 1 20 20 ASN CB C 20 40.972 40.972 42.399 -1.427 18152 3610 1 6 . 1 1 20 20 ASN H H 20 10.032 10.032 9.378 0.654 18152 3611 1 6 . 1 1 21 21 ILE N N 21 123.799 123.799 126.143 -2.344 18152 3612 1 6 . 1 1 21 21 ILE HA H 21 4.829 4.829 4.866 -0.037 18152 3613 1 6 . 1 1 21 21 ILE C C 21 174.409 174.409 175.048 -0.639 18152 3614 1 6 . 1 1 21 21 ILE CA C 21 58.243 58.243 58.302 -0.059 18152 3615 1 6 . 1 1 21 21 ILE CB C 21 37.477 37.477 39.085 -1.608 18152 3616 1 6 . 1 1 21 21 ILE H H 21 8.614 8.614 9.254 -0.640 18152 3617 1 6 . 1 1 22 22 PRO HA H 22 4.178 4.178 4.336 -0.158 18152 3618 1 6 . 1 1 22 22 PRO CA C 22 65.629 65.629 65.291 0.338 18152 3619 1 6 . 1 1 22 22 PRO CB C 22 31.806 31.806 32.000 -0.194 18152 3620 1 6 . 1 1 23 23 LYS N N 23 118.170 118.170 118.810 -0.640 18152 3621 1 6 . 1 1 23 23 LYS HA H 23 3.943 3.943 4.085 -0.142 18152 3622 1 6 . 1 1 23 23 LYS C C 23 177.231 177.231 177.204 0.027 18152 3623 1 6 . 1 1 23 23 LYS CA C 23 58.643 58.643 58.384 0.259 18152 3624 1 6 . 1 1 23 23 LYS CB C 23 33.171 33.171 32.095 1.076 18152 3625 1 6 . 1 1 23 23 LYS H H 23 9.365 9.365 8.464 0.901 18152 3626 1 6 . 1 1 24 24 LEU N N 24 111.984 111.984 116.829 -4.845 18152 3627 1 6 . 1 1 24 24 LEU HA H 24 4.319 4.319 4.501 -0.182 18152 3628 1 6 . 1 1 24 24 LEU C C 24 175.562 175.562 176.123 -0.561 18152 3629 1 6 . 1 1 24 24 LEU CA C 24 52.965 52.965 54.609 -1.644 18152 3630 1 6 . 1 1 24 24 LEU CB C 24 42.473 42.473 41.318 1.155 18152 3631 1 6 . 1 1 24 24 LEU H H 24 6.919 6.919 7.977 -1.058 18152 3632 1 6 . 1 1 25 25 LYS N N 25 115.814 115.814 116.272 -0.458 18152 3633 1 6 . 1 1 25 25 LYS HA H 25 3.849 3.849 4.021 -0.172 18152 3634 1 6 . 1 1 25 25 LYS C C 25 175.297 175.297 175.495 -0.198 18152 3635 1 6 . 1 1 25 25 LYS CA C 25 56.598 56.598 57.314 -0.716 18152 3636 1 6 . 1 1 25 25 LYS CB C 25 28.918 28.918 29.670 -0.752 18152 3637 1 6 . 1 1 25 25 LYS H H 25 7.912 7.912 7.919 -0.007 18152 3638 1 6 . 1 1 26 26 LYS N N 26 115.145 115.145 118.950 -3.805 18152 3639 1 6 . 1 1 26 26 LYS HA H 26 4.559 4.559 4.301 0.258 18152 3640 1 6 . 1 1 26 26 LYS C C 26 173.961 173.961 174.778 -0.817 18152 3641 1 6 . 1 1 26 26 LYS CA C 26 53.788 53.788 55.111 -1.323 18152 3642 1 6 . 1 1 26 26 LYS CB C 26 37.483 37.483 35.761 1.722 18152 3643 1 6 . 1 1 26 26 LYS H H 26 6.765 6.765 7.802 -1.037 18152 3644 1 6 . 1 1 27 27 LYS N N 27 119.758 119.758 119.431 0.327 18152 3645 1 6 . 1 1 27 27 LYS HA H 27 5.452 5.452 5.302 0.150 18152 3646 1 6 . 1 1 27 27 LYS C C 27 175.482 175.482 175.041 0.441 18152 3647 1 6 . 1 1 27 27 LYS CA C 27 53.883 53.883 54.670 -0.787 18152 3648 1 6 . 1 1 27 27 LYS CB C 27 35.855 35.855 35.725 0.130 18152 3649 1 6 . 1 1 27 27 LYS H H 27 7.885 7.885 7.775 0.110 18152 3650 1 6 . 1 1 28 28 PHE N N 28 119.077 119.077 120.151 -1.074 18152 3651 1 6 . 1 1 28 28 PHE HA H 28 4.871 4.871 4.833 0.038 18152 3652 1 6 . 1 1 28 28 PHE C C 28 175.477 175.477 174.382 1.095 18152 3653 1 6 . 1 1 28 28 PHE CA C 28 56.100 56.100 56.992 -0.892 18152 3654 1 6 . 1 1 28 28 PHE CB C 28 42.734 42.734 43.983 -1.249 18152 3655 1 6 . 1 1 28 28 PHE H H 28 9.397 9.397 9.273 0.124 18152 3656 1 6 . 1 1 29 29 SER N N 29 121.189 121.189 118.012 3.177 18152 3657 1 6 . 1 1 29 29 SER HA H 29 4.848 4.848 4.812 0.036 18152 3658 1 6 . 1 1 29 29 SER C C 29 172.010 172.010 173.572 -1.562 18152 3659 1 6 . 1 1 29 29 SER CA C 29 59.961 59.961 58.153 1.808 18152 3660 1 6 . 1 1 29 29 SER CB C 29 64.433 64.433 64.004 0.429 18152 3661 1 6 . 1 1 29 29 SER H H 29 9.010 9.010 8.724 0.286 18152 3662 1 6 . 1 1 30 30 ILE N N 30 120.881 120.881 127.185 -6.304 18152 3663 1 6 . 1 1 30 30 ILE HA H 30 4.942 4.942 4.188 0.754 18152 3664 1 6 . 1 1 30 30 ILE C C 30 174.874 174.874 174.840 0.034 18152 3665 1 6 . 1 1 30 30 ILE CA C 30 57.775 57.775 60.681 -2.906 18152 3666 1 6 . 1 1 30 30 ILE CB C 30 38.001 38.001 38.392 -0.391 18152 3667 1 6 . 1 1 30 30 ILE H H 30 8.084 8.084 8.810 -0.726 18152 3668 1 6 . 1 1 31 31 TYR N N 31 127.573 127.573 127.635 -0.062 18152 3669 1 6 . 1 1 31 31 TYR HA H 31 5.299 5.299 4.985 0.314 18152 3670 1 6 . 1 1 31 31 TYR C C 31 174.806 174.806 175.823 -1.017 18152 3671 1 6 . 1 1 31 31 TYR CA C 31 56.120 56.120 55.831 0.289 18152 3672 1 6 . 1 1 31 31 TYR CB C 31 41.139 41.139 40.156 0.983 18152 3673 1 6 . 1 1 31 31 TYR H H 31 9.174 9.174 8.434 0.740 18152 3674 1 6 . 1 1 32 32 TRP N N 32 121.993 121.993 125.088 -3.095 18152 3675 1 6 . 1 1 32 32 TRP HA H 32 4.583 4.583 4.462 0.121 18152 3676 1 6 . 1 1 32 32 TRP C C 32 175.194 175.194 175.945 -0.751 18152 3677 1 6 . 1 1 32 32 TRP CA C 32 57.396 57.396 59.006 -1.610 18152 3678 1 6 . 1 1 32 32 TRP CB C 32 29.670 29.670 30.680 -1.010 18152 3679 1 6 . 1 1 32 32 TRP H H 32 9.007 9.007 9.100 -0.093 18152 3680 1 6 . 1 1 33 33 GLY N N 33 120.470 120.470 113.264 7.206 18152 3681 1 6 . 1 1 33 33 GLY C C 33 171.936 171.936 171.641 0.295 18152 3682 1 6 . 1 1 33 33 GLY CA C 33 44.532 44.532 44.191 0.342 18152 3683 1 6 . 1 1 33 33 GLY H H 33 7.758 7.758 7.443 0.315 18152 3684 1 6 . 1 1 34 34 ALA N N 34 120.239 120.239 122.924 -2.685 18152 3685 1 6 . 1 1 34 34 ALA HA H 34 4.447 4.447 4.430 0.017 18152 3686 1 6 . 1 1 34 34 ALA C C 34 176.174 176.174 175.856 0.318 18152 3687 1 6 . 1 1 34 34 ALA CA C 34 49.913 49.913 51.453 -1.540 18152 3688 1 6 . 1 1 34 34 ALA CB C 34 18.955 18.955 20.929 -1.974 18152 3689 1 6 . 1 1 34 34 ALA H H 34 7.883 7.883 7.939 -0.056 18152 3690 1 6 . 1 1 35 35 ASP N N 35 118.828 118.828 125.259 -6.431 18152 3691 1 6 . 1 1 35 35 ASP HA H 35 4.450 4.450 4.640 -0.190 18152 3692 1 6 . 1 1 35 35 ASP C C 35 175.990 175.990 176.429 -0.439 18152 3693 1 6 . 1 1 35 35 ASP CA C 35 53.030 53.030 53.599 -0.569 18152 3694 1 6 . 1 1 35 35 ASP CB C 35 41.508 41.508 41.622 -0.114 18152 3695 1 6 . 1 1 35 35 ASP H H 35 7.944 7.944 8.321 -0.377 18152 3696 1 6 . 1 1 36 36 ASP N N 36 121.051 121.051 125.259 -4.208 18152 3697 1 6 . 1 1 36 36 ASP HA H 36 4.335 4.335 4.584 -0.249 18152 3698 1 6 . 1 1 36 36 ASP C C 36 177.296 177.296 176.775 0.521 18152 3699 1 6 . 1 1 36 36 ASP CA C 36 55.183 55.183 55.716 -0.533 18152 3700 1 6 . 1 1 36 36 ASP CB C 36 39.837 39.837 40.777 -0.940 18152 3701 1 6 . 1 1 36 36 ASP H H 36 8.509 8.509 8.714 -0.205 18152 3702 1 6 . 1 1 37 37 ALA N N 37 119.568 119.568 122.036 -2.468 18152 3703 1 6 . 1 1 37 37 ALA HA H 37 4.060 4.060 4.186 -0.126 18152 3704 1 6 . 1 1 37 37 ALA C C 37 179.598 179.598 178.049 1.549 18152 3705 1 6 . 1 1 37 37 ALA CA C 37 53.967 53.967 53.669 0.298 18152 3706 1 6 . 1 1 37 37 ALA CB C 37 18.009 18.009 19.247 -1.238 18152 3707 1 6 . 1 1 37 37 ALA H H 37 8.169 8.169 7.873 0.296 18152 3708 1 6 . 1 1 38 38 THR HA H 38 3.850 3.850 4.425 -0.575 18152 3709 1 6 . 1 1 38 38 THR CA C 38 68.437 68.437 61.203 7.234 18152 3710 1 6 . 1 1 38 38 THR CB C 38 72.916 72.916 69.631 3.285 18152 3711 1 6 . 1 1 38 38 THR H H 38 7.621 7.621 7.447 0.174 18152 3712 1 6 . 1 1 42 42 GLY N N 42 106.310 106.310 109.962 -3.652 18152 3713 1 6 . 1 1 42 42 GLY CA C 42 46.480 46.480 45.222 1.258 18152 3714 1 6 . 1 1 43 43 VAL N N 43 121.961 121.961 123.700 -1.739 18152 3715 1 6 . 1 1 43 43 VAL HA H 43 4.481 4.481 4.571 -0.090 18152 3716 1 6 . 1 1 43 43 VAL C C 43 174.308 174.308 175.657 -1.349 18152 3717 1 6 . 1 1 43 43 VAL CA C 43 61.079 61.079 61.311 -0.232 18152 3718 1 6 . 1 1 43 43 VAL CB C 43 32.911 32.911 29.617 3.293 18152 3719 1 6 . 1 1 43 43 VAL H H 43 8.247 8.247 7.548 0.699 18152 3720 1 6 . 1 1 44 44 GLY N N 44 114.325 114.325 115.214 -0.889 18152 3721 1 6 . 1 1 44 44 GLY C C 44 172.465 172.465 171.965 0.500 18152 3722 1 6 . 1 1 44 44 GLY CA C 44 43.458 43.458 44.060 -0.603 18152 3723 1 6 . 1 1 44 44 GLY H H 44 9.063 9.063 8.167 0.896 18152 3724 1 6 . 1 1 45 45 MET N N 45 125.031 125.031 121.369 3.662 18152 3725 1 6 . 1 1 45 45 MET HA H 45 4.742 4.742 5.412 -0.670 18152 3726 1 6 . 1 1 45 45 MET C C 45 173.873 173.873 174.350 -0.477 18152 3727 1 6 . 1 1 45 45 MET CA C 45 54.084 54.084 51.572 2.512 18152 3728 1 6 . 1 1 45 45 MET CB C 45 34.548 34.548 34.954 -0.406 18152 3729 1 6 . 1 1 45 45 MET H H 45 8.966 8.966 8.908 0.058 18152 3730 1 6 . 1 1 46 46 PHE N N 46 127.637 127.637 127.204 0.433 18152 3731 1 6 . 1 1 46 46 PHE HA H 46 3.611 3.611 4.285 -0.674 18152 3732 1 6 . 1 1 46 46 PHE C C 46 175.023 175.023 174.783 0.240 18152 3733 1 6 . 1 1 46 46 PHE CA C 46 59.286 59.286 58.918 0.368 18152 3734 1 6 . 1 1 46 46 PHE CB C 46 40.644 40.644 39.777 0.867 18152 3735 1 6 . 1 1 46 46 PHE H H 46 8.790 8.790 8.167 0.623 18152 3736 1 6 . 1 1 47 47 VAL N N 47 130.695 130.695 127.862 2.833 18152 3737 1 6 . 1 1 47 47 VAL HA H 47 3.663 3.663 4.326 -0.663 18152 3738 1 6 . 1 1 47 47 VAL C C 47 174.235 174.235 174.261 -0.026 18152 3739 1 6 . 1 1 47 47 VAL CA C 47 61.455 61.455 60.893 0.562 18152 3740 1 6 . 1 1 47 47 VAL CB C 47 32.002 32.002 32.365 -0.363 18152 3741 1 6 . 1 1 47 47 VAL H H 47 7.942 7.942 7.848 0.094 18152 3742 1 6 . 1 1 48 48 SER N N 48 120.391 120.391 123.118 -2.727 18152 3743 1 6 . 1 1 48 48 SER HA H 48 4.626 4.626 4.897 -0.271 18152 3744 1 6 . 1 1 48 48 SER C C 48 173.167 173.167 172.871 0.296 18152 3745 1 6 . 1 1 48 48 SER CA C 48 57.384 57.384 57.418 -0.034 18152 3746 1 6 . 1 1 48 48 SER CB C 48 65.720 65.720 65.654 0.066 18152 3747 1 6 . 1 1 48 48 SER H H 48 7.971 7.971 8.831 -0.860 18152 3748 1 6 . 1 1 49 49 ASP N N 49 117.498 117.498 119.999 -2.501 18152 3749 1 6 . 1 1 49 49 ASP HA H 49 4.603 4.603 4.554 0.049 18152 3750 1 6 . 1 1 49 49 ASP C C 49 174.539 174.539 177.001 -2.462 18152 3751 1 6 . 1 1 49 49 ASP CA C 49 55.222 55.222 56.054 -0.832 18152 3752 1 6 . 1 1 49 49 ASP CB C 49 40.206 40.206 41.119 -0.913 18152 3753 1 6 . 1 1 49 49 ASP H H 49 8.701 8.701 8.816 -0.115 18152 3754 1 6 . 1 1 50 50 VAL N N 50 109.465 109.465 108.738 0.727 18152 3755 1 6 . 1 1 50 50 VAL HA H 50 4.455 4.455 4.399 0.056 18152 3756 1 6 . 1 1 50 50 VAL C C 50 174.487 174.487 176.096 -1.609 18152 3757 1 6 . 1 1 50 50 VAL CA C 50 60.840 60.840 61.843 -1.003 18152 3758 1 6 . 1 1 50 50 VAL CB C 50 32.067 32.067 33.038 -0.971 18152 3759 1 6 . 1 1 50 50 VAL H H 50 7.770 7.770 7.376 0.394 18152 3760 1 6 . 1 1 51 51 THR N N 51 110.572 110.572 114.610 -4.038 18152 3761 1 6 . 1 1 51 51 THR HA H 51 5.293 5.293 4.302 0.991 18152 3762 1 6 . 1 1 51 51 THR C C 51 174.591 174.591 174.461 0.130 18152 3763 1 6 . 1 1 51 51 THR CA C 51 58.487 58.487 61.941 -3.454 18152 3764 1 6 . 1 1 51 51 THR CB C 51 71.674 71.674 69.674 2.000 18152 3765 1 6 . 1 1 51 51 THR H H 51 7.095 7.095 7.736 -0.641 18152 3766 1 6 . 1 1 52 52 THR N N 52 109.706 109.706 118.246 -8.540 18152 3767 1 6 . 1 1 52 52 THR HA H 52 4.988 4.988 4.924 0.064 18152 3768 1 6 . 1 1 52 52 THR C C 52 177.060 177.060 172.968 4.092 18152 3769 1 6 . 1 1 52 52 THR CA C 52 59.777 59.777 60.155 -0.378 18152 3770 1 6 . 1 1 52 52 THR CB C 52 72.911 72.911 71.476 1.435 18152 3771 1 6 . 1 1 52 52 THR H H 52 8.836 8.836 8.968 -0.132 18152 3772 1 6 . 1 1 53 53 THR N N 53 113.970 113.970 115.422 -1.452 18152 3773 1 6 . 1 1 53 53 THR HA H 53 4.601 4.601 4.718 -0.117 18152 3774 1 6 . 1 1 53 53 THR C C 53 176.085 176.085 173.239 2.846 18152 3775 1 6 . 1 1 53 53 THR CA C 53 60.920 60.920 59.110 1.810 18152 3776 1 6 . 1 1 53 53 THR CB C 53 67.192 67.192 69.808 -2.616 18152 3777 1 6 . 1 1 53 53 THR H H 53 8.857 8.857 8.348 0.509 18152 3778 1 6 . 1 1 54 54 PRO HA H 54 4.023 4.023 4.538 -0.515 18152 3779 1 6 . 1 1 54 54 PRO CA C 54 64.658 64.658 62.734 1.924 18152 3780 1 6 . 1 1 54 54 PRO CB C 54 29.665 29.665 30.479 -0.814 18152 3781 1 6 . 1 1 55 55 SER N N 55 105.932 105.932 116.685 -10.753 18152 3782 1 6 . 1 1 55 55 SER HA H 55 4.448 4.448 4.137 0.311 18152 3783 1 6 . 1 1 55 55 SER C C 55 176.253 176.253 173.746 2.507 18152 3784 1 6 . 1 1 55 55 SER CA C 55 58.086 58.086 57.343 0.743 18152 3785 1 6 . 1 1 55 55 SER CB C 55 62.950 62.950 64.331 -1.381 18152 3786 1 6 . 1 1 55 55 SER H H 55 6.879 6.879 7.869 -0.990 18152 3787 1 6 . 1 1 56 56 GLY N N 56 109.826 109.826 109.063 0.763 18152 3788 1 6 . 1 1 56 56 GLY C C 56 175.832 175.832 174.242 1.590 18152 3789 1 6 . 1 1 56 56 GLY CA C 56 45.213 45.213 45.406 -0.193 18152 3790 1 6 . 1 1 56 56 GLY H H 56 7.733 7.733 7.351 0.382 18152 3791 1 6 . 1 1 57 57 GLY N N 57 105.805 105.805 110.675 -4.870 18152 3792 1 6 . 1 1 57 57 GLY C C 57 172.905 172.905 173.463 -0.558 18152 3793 1 6 . 1 1 57 57 GLY CA C 57 46.480 46.480 45.553 0.927 18152 3794 1 6 . 1 1 57 57 GLY H H 57 7.481 7.481 8.636 -1.155 18152 3795 1 6 . 1 1 58 58 GLY N N 58 109.086 109.086 109.101 -0.015 18152 3796 1 6 . 1 1 58 58 GLY C C 58 172.807 172.807 172.496 0.311 18152 3797 1 6 . 1 1 58 58 GLY CA C 58 43.642 43.642 44.265 -0.623 18152 3798 1 6 . 1 1 58 58 GLY H H 58 7.549 7.549 7.780 -0.231 18152 3799 1 6 . 1 1 59 59 HIS N N 59 127.776 127.776 121.916 5.860 18152 3800 1 6 . 1 1 59 59 HIS HA H 59 5.162 5.162 4.954 0.208 18152 3801 1 6 . 1 1 59 59 HIS C C 59 174.930 174.930 174.366 0.564 18152 3802 1 6 . 1 1 59 59 HIS CA C 59 52.820 52.820 55.133 -2.313 18152 3803 1 6 . 1 1 59 59 HIS CB C 59 30.250 30.250 30.343 -0.093 18152 3804 1 6 . 1 1 59 59 HIS H H 59 9.517 9.517 8.755 0.762 18152 3805 1 6 . 1 1 60 60 THR N N 60 127.768 127.768 124.376 3.392 18152 3806 1 6 . 1 1 60 60 THR HA H 60 4.870 4.870 5.168 -0.298 18152 3807 1 6 . 1 1 60 60 THR C C 60 171.847 171.847 173.021 -1.174 18152 3808 1 6 . 1 1 60 60 THR CA C 60 61.358 61.358 61.610 -0.252 18152 3809 1 6 . 1 1 60 60 THR CB C 60 69.821 69.821 70.403 -0.582 18152 3810 1 6 . 1 1 60 60 THR H H 60 9.769 9.769 9.317 0.452 18152 3811 1 6 . 1 1 61 61 VAL N N 61 126.493 126.493 127.855 -1.362 18152 3812 1 6 . 1 1 61 61 VAL HA H 61 4.641 4.641 4.989 -0.348 18152 3813 1 6 . 1 1 61 61 VAL C C 61 173.794 173.794 174.656 -0.862 18152 3814 1 6 . 1 1 61 61 VAL CA C 61 59.808 59.808 61.078 -1.270 18152 3815 1 6 . 1 1 61 61 VAL CB C 61 33.334 33.334 34.184 -0.850 18152 3816 1 6 . 1 1 61 61 VAL H H 61 8.534 8.534 8.194 0.340 18152 3817 1 6 . 1 1 62 62 LEU N N 62 126.342 126.342 128.044 -1.702 18152 3818 1 6 . 1 1 62 62 LEU HA H 62 5.345 5.345 5.058 0.287 18152 3819 1 6 . 1 1 62 62 LEU C C 62 175.554 175.554 175.174 0.380 18152 3820 1 6 . 1 1 62 62 LEU CA C 62 51.143 51.143 53.357 -2.214 18152 3821 1 6 . 1 1 62 62 LEU CB C 62 43.344 43.344 44.928 -1.584 18152 3822 1 6 . 1 1 62 62 LEU H H 62 9.284 9.284 9.529 -0.245 18152 3823 1 6 . 1 1 63 63 SER N N 63 116.370 116.370 118.415 -2.045 18152 3824 1 6 . 1 1 63 63 SER HA H 63 5.328 5.328 5.749 -0.421 18152 3825 1 6 . 1 1 63 63 SER C C 63 174.576 174.576 173.328 1.248 18152 3826 1 6 . 1 1 63 63 SER CA C 63 54.893 54.893 56.332 -1.439 18152 3827 1 6 . 1 1 63 63 SER CB C 63 64.901 64.901 65.409 -0.508 18152 3828 1 6 . 1 1 63 63 SER H H 63 9.117 9.117 8.703 0.414 18152 3829 1 6 . 1 1 64 64 GLY N N 64 111.783 111.783 113.263 -1.480 18152 3830 1 6 . 1 1 64 64 GLY C C 64 173.058 173.058 171.952 1.106 18152 3831 1 6 . 1 1 64 64 GLY CA C 64 45.547 45.547 44.215 1.333 18152 3832 1 6 . 1 1 64 64 GLY H H 64 8.723 8.723 8.770 -0.047 18152 3833 1 6 . 1 1 74 74 GLY C C 74 173.703 173.703 175.601 -1.898 18152 3834 1 6 . 1 1 74 74 GLY CA C 74 45.507 45.507 47.162 -1.655 18152 3835 1 6 . 1 1 75 75 GLN N N 75 116.093 116.093 115.274 0.819 18152 3836 1 6 . 1 1 75 75 GLN HA H 75 4.229 4.229 4.788 -0.559 18152 3837 1 6 . 1 1 75 75 GLN C C 75 177.319 177.319 176.927 0.392 18152 3838 1 6 . 1 1 75 75 GLN CA C 75 56.016 56.016 55.434 0.582 18152 3839 1 6 . 1 1 75 75 GLN CB C 75 29.310 29.310 32.045 -2.735 18152 3840 1 6 . 1 1 75 75 GLN H H 75 7.598 7.598 7.644 -0.046 18152 3841 1 6 . 1 1 76 76 LEU N N 76 117.894 117.894 121.903 -4.009 18152 3842 1 6 . 1 1 76 76 LEU HA H 76 4.373 4.373 4.490 -0.117 18152 3843 1 6 . 1 1 76 76 LEU C C 76 175.639 175.639 175.455 0.184 18152 3844 1 6 . 1 1 76 76 LEU CA C 76 54.578 54.578 54.776 -0.198 18152 3845 1 6 . 1 1 76 76 LEU CB C 76 41.720 41.720 39.823 1.897 18152 3846 1 6 . 1 1 76 76 LEU H H 76 7.285 7.285 7.798 -0.513 18152 3847 1 6 . 1 1 77 77 LYS N N 77 122.287 122.287 118.986 3.301 18152 3848 1 6 . 1 1 77 77 LYS HA H 77 4.545 4.545 4.530 0.015 18152 3849 1 6 . 1 1 77 77 LYS C C 77 175.553 175.553 175.751 -0.198 18152 3850 1 6 . 1 1 77 77 LYS CA C 77 53.336 53.336 55.636 -2.300 18152 3851 1 6 . 1 1 77 77 LYS CB C 77 36.380 36.380 34.829 1.551 18152 3852 1 6 . 1 1 77 77 LYS H H 77 9.513 9.513 7.650 1.863 18152 3853 1 6 . 1 1 78 78 GLU N N 78 118.949 118.949 121.971 -3.022 18152 3854 1 6 . 1 1 78 78 GLU HA H 78 3.523 3.523 4.368 -0.845 18152 3855 1 6 . 1 1 78 78 GLU C C 78 177.053 177.053 176.886 0.167 18152 3856 1 6 . 1 1 78 78 GLU CA C 78 59.205 59.205 58.404 0.801 18152 3857 1 6 . 1 1 78 78 GLU CB C 78 28.284 28.284 29.759 -1.475 18152 3858 1 6 . 1 1 78 78 GLU H H 78 8.900 8.900 8.973 -0.073 18152 3859 1 6 . 1 1 79 79 LYS N N 79 114.843 114.843 116.287 -1.444 18152 3860 1 6 . 1 1 79 79 LYS HA H 79 3.751 3.751 4.174 -0.423 18152 3861 1 6 . 1 1 79 79 LYS C C 79 176.434 176.434 176.837 -0.403 18152 3862 1 6 . 1 1 79 79 LYS CA C 79 59.231 59.231 56.914 2.317 18152 3863 1 6 . 1 1 79 79 LYS CB C 79 29.657 29.657 32.251 -2.594 18152 3864 1 6 . 1 1 79 79 LYS H H 79 8.909 8.909 7.834 1.075 18152 3865 1 6 . 1 1 80 80 ASP N N 80 119.664 119.664 121.324 -1.660 18152 3866 1 6 . 1 1 80 80 ASP HA H 80 4.946 4.946 4.578 0.368 18152 3867 1 6 . 1 1 80 80 ASP C C 80 175.886 175.886 175.198 0.688 18152 3868 1 6 . 1 1 80 80 ASP CA C 80 55.661 55.661 55.241 0.420 18152 3869 1 6 . 1 1 80 80 ASP CB C 80 41.782 41.782 41.979 -0.197 18152 3870 1 6 . 1 1 80 80 ASP H H 80 8.052 8.052 7.534 0.518 18152 3871 1 6 . 1 1 81 81 THR N N 81 111.597 111.597 113.807 -2.210 18152 3872 1 6 . 1 1 81 81 THR HA H 81 5.321 5.321 5.144 0.177 18152 3873 1 6 . 1 1 81 81 THR C C 81 174.221 174.221 173.783 0.438 18152 3874 1 6 . 1 1 81 81 THR CA C 81 61.103 61.103 61.124 -0.021 18152 3875 1 6 . 1 1 81 81 THR CB C 81 71.264 71.264 71.207 0.057 18152 3876 1 6 . 1 1 81 81 THR H H 81 8.083 8.083 8.352 -0.269 18152 3877 1 6 . 1 1 82 82 LEU N N 82 120.358 120.358 127.495 -7.137 18152 3878 1 6 . 1 1 82 82 LEU HA H 82 4.836 4.836 4.699 0.137 18152 3879 1 6 . 1 1 82 82 LEU C C 82 174.850 174.850 176.176 -1.326 18152 3880 1 6 . 1 1 82 82 LEU CA C 82 53.721 53.721 54.269 -0.548 18152 3881 1 6 . 1 1 82 82 LEU CB C 82 45.655 45.655 42.807 2.848 18152 3882 1 6 . 1 1 82 82 LEU H H 82 8.684 8.684 8.970 -0.286 18152 3883 1 6 . 1 1 83 83 VAL N N 83 121.834 121.834 125.775 -3.941 18152 3884 1 6 . 1 1 83 83 VAL HA H 83 5.269 5.269 5.179 0.090 18152 3885 1 6 . 1 1 83 83 VAL C C 83 174.766 174.766 175.174 -0.408 18152 3886 1 6 . 1 1 83 83 VAL CA C 83 61.157 61.157 61.727 -0.570 18152 3887 1 6 . 1 1 83 83 VAL CB C 83 34.923 34.923 33.254 1.669 18152 3888 1 6 . 1 1 83 83 VAL H H 83 8.670 8.670 9.143 -0.473 18152 3889 1 6 . 1 1 84 84 LEU N N 84 129.811 129.811 129.328 0.483 18152 3890 1 6 . 1 1 84 84 LEU HA H 84 5.647 5.647 5.437 0.210 18152 3891 1 6 . 1 1 84 84 LEU C C 84 175.644 175.644 176.222 -0.578 18152 3892 1 6 . 1 1 84 84 LEU CA C 84 53.160 53.160 52.909 0.251 18152 3893 1 6 . 1 1 84 84 LEU CB C 84 46.815 46.815 43.812 3.003 18152 3894 1 6 . 1 1 84 84 LEU H H 84 10.025 10.025 9.606 0.419 18152 3895 1 6 . 1 1 85 85 GLU N N 85 125.273 125.273 124.691 0.582 18152 3896 1 6 . 1 1 85 85 GLU HA H 85 5.293 5.293 5.421 -0.128 18152 3897 1 6 . 1 1 85 85 GLU C C 85 175.910 175.910 175.495 0.415 18152 3898 1 6 . 1 1 85 85 GLU CA C 85 54.716 54.716 55.296 -0.580 18152 3899 1 6 . 1 1 85 85 GLU CB C 85 30.904 30.904 31.164 -0.260 18152 3900 1 6 . 1 1 85 85 GLU H H 85 9.117 9.117 9.242 -0.125 18152 3901 1 6 . 1 1 86 86 TYR N N 86 125.299 125.299 127.056 -1.757 18152 3902 1 6 . 1 1 86 86 TYR HA H 86 4.825 4.825 4.816 0.009 18152 3903 1 6 . 1 1 86 86 TYR C C 86 174.077 174.077 174.794 -0.717 18152 3904 1 6 . 1 1 86 86 TYR CA C 86 57.516 57.516 57.517 -0.000 18152 3905 1 6 . 1 1 86 86 TYR CB C 86 41.720 41.720 42.253 -0.533 18152 3906 1 6 . 1 1 86 86 TYR H H 86 9.056 9.056 9.427 -0.371 18152 3907 1 6 . 1 1 87 87 ASP N N 87 131.006 131.006 129.304 1.702 18152 3908 1 6 . 1 1 87 87 ASP HA H 87 3.921 3.921 4.265 -0.344 18152 3909 1 6 . 1 1 87 87 ASP C C 87 171.773 171.773 175.370 -3.597 18152 3910 1 6 . 1 1 87 87 ASP CA C 87 54.613 54.613 54.907 -0.294 18152 3911 1 6 . 1 1 87 87 ASP CB C 87 39.659 39.659 40.535 -0.875 18152 3912 1 6 . 1 1 87 87 ASP H H 87 9.071 9.071 9.277 -0.206 18152 3913 1 6 . 1 1 88 88 ASN N N 88 109.843 109.843 111.352 -1.509 18152 3914 1 6 . 1 1 88 88 ASN HA H 88 4.159 4.159 4.397 -0.238 18152 3915 1 6 . 1 1 88 88 ASN C C 88 173.995 173.995 174.535 -0.540 18152 3916 1 6 . 1 1 88 88 ASN CA C 88 54.528 54.528 55.071 -0.543 18152 3917 1 6 . 1 1 88 88 ASN CB C 88 37.383 37.383 37.984 -0.601 18152 3918 1 6 . 1 1 88 88 ASN H H 88 8.613 8.613 8.889 -0.276 18152 3919 1 6 . 1 1 89 89 LYS N N 89 119.021 119.021 119.513 -0.492 18152 3920 1 6 . 1 1 89 89 LYS HA H 89 4.714 4.714 4.790 -0.076 18152 3921 1 6 . 1 1 89 89 LYS C C 89 174.644 174.644 175.740 -1.096 18152 3922 1 6 . 1 1 89 89 LYS CA C 89 55.133 55.133 55.804 -0.671 18152 3923 1 6 . 1 1 89 89 LYS CB C 89 36.460 36.460 35.341 1.119 18152 3924 1 6 . 1 1 89 89 LYS H H 89 7.903 7.903 7.810 0.093 18152 3925 1 6 . 1 1 90 90 THR N N 90 117.141 117.141 119.661 -2.520 18152 3926 1 6 . 1 1 90 90 THR HA H 90 4.819 4.819 5.370 -0.551 18152 3927 1 6 . 1 1 90 90 THR C C 90 172.823 172.823 173.929 -1.106 18152 3928 1 6 . 1 1 90 90 THR CA C 90 61.745 61.745 60.950 0.795 18152 3929 1 6 . 1 1 90 90 THR CB C 90 69.709 69.709 69.613 0.096 18152 3930 1 6 . 1 1 90 90 THR H H 90 8.451 8.451 8.892 -0.441 18152 3931 1 6 . 1 1 91 91 TYR N N 91 127.333 127.333 127.173 0.160 18152 3932 1 6 . 1 1 91 91 TYR HA H 91 4.620 4.620 4.748 -0.128 18152 3933 1 6 . 1 1 91 91 TYR C C 91 174.313 174.313 175.561 -1.248 18152 3934 1 6 . 1 1 91 91 TYR CA C 91 56.764 56.764 56.937 -0.173 18152 3935 1 6 . 1 1 91 91 TYR CB C 91 41.054 41.054 40.580 0.474 18152 3936 1 6 . 1 1 91 91 TYR H H 91 9.552 9.552 9.932 -0.380 18152 3937 1 6 . 1 1 92 92 THR N N 92 117.709 117.709 120.742 -3.033 18152 3938 1 6 . 1 1 92 92 THR HA H 92 4.941 4.941 4.681 0.260 18152 3939 1 6 . 1 1 92 92 THR C C 92 172.464 172.464 173.436 -0.972 18152 3940 1 6 . 1 1 92 92 THR CA C 92 61.320 61.320 62.229 -0.909 18152 3941 1 6 . 1 1 92 92 THR CB C 92 69.546 69.546 68.890 0.656 18152 3942 1 6 . 1 1 92 92 THR H H 92 8.705 8.705 9.205 -0.500 18152 3943 1 6 . 1 1 93 93 TYR N N 93 122.946 122.946 126.513 -3.567 18152 3944 1 6 . 1 1 93 93 TYR HA H 93 5.431 5.431 5.393 0.038 18152 3945 1 6 . 1 1 93 93 TYR C C 93 174.846 174.846 175.325 -0.479 18152 3946 1 6 . 1 1 93 93 TYR CA C 93 55.804 55.804 56.828 -1.024 18152 3947 1 6 . 1 1 93 93 TYR CB C 93 42.627 42.627 42.559 0.068 18152 3948 1 6 . 1 1 93 93 TYR H H 93 9.381 9.381 9.425 -0.044 18152 3949 1 6 . 1 1 94 94 GLU N N 94 121.240 121.240 121.272 -0.032 18152 3950 1 6 . 1 1 94 94 GLU HA H 94 4.901 4.901 5.122 -0.221 18152 3951 1 6 . 1 1 94 94 GLU C C 94 177.060 177.060 175.827 1.233 18152 3952 1 6 . 1 1 94 94 GLU CA C 94 54.073 54.073 53.783 0.290 18152 3953 1 6 . 1 1 94 94 GLU CB C 94 33.787 33.787 34.164 -0.377 18152 3954 1 6 . 1 1 94 94 GLU H H 94 9.100 9.100 9.417 -0.317 18152 3955 1 6 . 1 1 95 95 ILE N N 95 128.525 128.525 127.133 1.392 18152 3956 1 6 . 1 1 95 95 ILE HA H 95 3.737 3.737 4.174 -0.437 18152 3957 1 6 . 1 1 95 95 ILE C C 95 176.261 176.261 176.906 -0.645 18152 3958 1 6 . 1 1 95 95 ILE CA C 95 64.664 64.664 62.265 2.399 18152 3959 1 6 . 1 1 95 95 ILE CB C 95 37.472 37.472 35.922 1.550 18152 3960 1 6 . 1 1 95 95 ILE H H 95 9.293 9.293 8.491 0.802 18152 3961 1 6 . 1 1 96 96 GLN N N 96 127.221 127.221 128.718 -1.497 18152 3962 1 6 . 1 1 96 96 GLN HA H 96 4.831 4.831 4.317 0.514 18152 3963 1 6 . 1 1 96 96 GLN C C 96 174.674 174.674 175.631 -0.957 18152 3964 1 6 . 1 1 96 96 GLN CA C 96 54.632 54.632 57.535 -2.903 18152 3965 1 6 . 1 1 96 96 GLN CB C 96 31.165 31.165 29.991 1.173 18152 3966 1 6 . 1 1 96 96 GLN H H 96 10.106 10.106 8.496 1.610 18152 3967 1 6 . 1 1 97 97 LYS N N 97 120.717 120.717 117.790 2.927 18152 3968 1 6 . 1 1 97 97 LYS HA H 97 4.658 4.658 4.589 0.069 18152 3969 1 6 . 1 1 97 97 LYS C C 97 173.200 173.200 174.570 -1.370 18152 3970 1 6 . 1 1 97 97 LYS CA C 97 56.528 56.528 55.559 0.968 18152 3971 1 6 . 1 1 97 97 LYS CB C 97 36.462 36.462 34.855 1.607 18152 3972 1 6 . 1 1 97 97 LYS H H 97 7.958 7.958 7.764 0.194 18152 3973 1 6 . 1 1 98 98 ILE N N 98 125.089 125.089 124.886 0.203 18152 3974 1 6 . 1 1 98 98 ILE HA H 98 5.221 5.221 4.733 0.488 18152 3975 1 6 . 1 1 98 98 ILE C C 98 175.821 175.821 175.977 -0.156 18152 3976 1 6 . 1 1 98 98 ILE CA C 98 60.078 60.078 60.403 -0.325 18152 3977 1 6 . 1 1 98 98 ILE CB C 98 42.082 42.082 39.796 2.286 18152 3978 1 6 . 1 1 98 98 ILE H H 98 8.458 8.458 8.493 -0.035 18152 3979 1 6 . 1 1 99 99 TRP N N 99 129.003 129.003 126.741 2.262 18152 3980 1 6 . 1 1 99 99 TRP HA H 99 4.661 4.661 4.897 -0.236 18152 3981 1 6 . 1 1 99 99 TRP C C 99 170.353 170.353 172.717 -2.364 18152 3982 1 6 . 1 1 99 99 TRP CA C 99 56.388 56.388 55.883 0.505 18152 3983 1 6 . 1 1 99 99 TRP CB C 99 31.158 31.158 30.494 0.664 18152 3984 1 6 . 1 1 99 99 TRP H H 99 9.291 9.291 8.288 1.003 18152 3985 1 6 . 1 1 100 100 ILE N N 100 117.739 117.739 120.225 -2.486 18152 3986 1 6 . 1 1 100 100 ILE HA H 100 4.616 4.616 4.907 -0.291 18152 3987 1 6 . 1 1 100 100 ILE C C 100 176.258 176.258 175.421 0.837 18152 3988 1 6 . 1 1 100 100 ILE CA C 100 58.973 58.973 59.975 -1.002 18152 3989 1 6 . 1 1 100 100 ILE CB C 100 40.734 40.734 40.761 -0.028 18152 3990 1 6 . 1 1 100 100 ILE H H 100 7.778 7.778 8.377 -0.599 18152 3991 1 6 . 1 1 101 101 THR N N 101 120.676 120.676 119.748 0.928 18152 3992 1 6 . 1 1 101 101 THR HA H 101 4.755 4.755 4.850 -0.095 18152 3993 1 6 . 1 1 101 101 THR C C 101 172.069 172.069 173.080 -1.011 18152 3994 1 6 . 1 1 101 101 THR CA C 101 57.557 57.557 59.082 -1.525 18152 3995 1 6 . 1 1 101 101 THR CB C 101 70.656 70.656 70.921 -0.265 18152 3996 1 6 . 1 1 101 101 THR H H 101 8.587 8.587 8.941 -0.354 18152 3997 1 6 . 1 1 102 102 HIS N N 102 119.885 119.885 119.841 0.044 18152 3998 1 6 . 1 1 102 102 HIS HA H 102 5.401 5.401 4.604 0.797 18152 3999 1 6 . 1 1 102 102 HIS C C 102 176.781 176.781 176.627 0.154 18152 4000 1 6 . 1 1 102 102 HIS CA C 102 54.482 54.482 57.511 -3.029 18152 4001 1 6 . 1 1 102 102 HIS CB C 102 31.240 31.240 30.588 0.652 18152 4002 1 6 . 1 1 102 102 HIS H H 102 8.194 8.194 8.761 -0.567 18152 4003 1 6 . 1 1 103 103 ALA N N 103 121.632 121.632 126.528 -4.896 18152 4004 1 6 . 1 1 103 103 ALA HA H 103 3.710 3.710 4.107 -0.397 18152 4005 1 6 . 1 1 103 103 ALA C C 103 177.587 177.587 177.330 0.257 18152 4006 1 6 . 1 1 103 103 ALA CA C 103 54.899 54.899 54.205 0.694 18152 4007 1 6 . 1 1 103 103 ALA CB C 103 17.981 17.981 19.019 -1.038 18152 4008 1 6 . 1 1 103 103 ALA H H 103 8.405 8.405 8.824 -0.419 18152 4009 1 6 . 1 1 104 104 ASP N N 104 114.513 114.513 116.580 -2.067 18152 4010 1 6 . 1 1 104 104 ASP HA H 104 4.603 4.603 4.662 -0.059 18152 4011 1 6 . 1 1 104 104 ASP C C 104 175.283 175.283 175.345 -0.062 18152 4012 1 6 . 1 1 104 104 ASP CA C 104 53.070 53.070 53.613 -0.543 18152 4013 1 6 . 1 1 104 104 ASP CB C 104 40.034 40.034 41.099 -1.065 18152 4014 1 6 . 1 1 104 104 ASP H H 104 8.314 8.314 7.996 0.318 18152 4015 1 6 . 1 1 105 105 ASP N N 105 119.184 119.184 120.397 -1.213 18152 4016 1 6 . 1 1 105 105 ASP HA H 105 4.170 4.170 4.763 -0.593 18152 4017 1 6 . 1 1 105 105 ASP C C 105 177.674 177.674 177.099 0.575 18152 4018 1 6 . 1 1 105 105 ASP CA C 105 54.268 54.268 52.895 1.373 18152 4019 1 6 . 1 1 105 105 ASP CB C 105 39.846 39.846 41.338 -1.492 18152 4020 1 6 . 1 1 105 105 ASP H H 105 7.043 7.043 7.615 -0.572 18152 4021 1 6 . 1 1 106 106 ARG N N 106 127.998 127.998 127.059 0.939 18152 4022 1 6 . 1 1 106 106 ARG HA H 106 4.368 4.368 4.058 0.310 18152 4023 1 6 . 1 1 106 106 ARG C C 106 177.709 177.709 178.213 -0.504 18152 4024 1 6 . 1 1 106 106 ARG CA C 106 55.888 55.888 58.392 -2.504 18152 4025 1 6 . 1 1 106 106 ARG CB C 106 29.264 29.264 29.712 -0.448 18152 4026 1 6 . 1 1 106 106 ARG H H 106 8.921 8.921 8.359 0.562 18152 4027 1 6 . 1 1 107 107 THR N N 107 111.880 111.880 114.919 -3.039 18152 4028 1 6 . 1 1 107 107 THR HA H 107 4.139 4.139 4.039 0.100 18152 4029 1 6 . 1 1 107 107 THR C C 107 173.548 173.548 175.192 -1.644 18152 4030 1 6 . 1 1 107 107 THR CA C 107 62.350 62.350 65.269 -2.919 18152 4031 1 6 . 1 1 107 107 THR CB C 107 68.935 68.935 68.162 0.773 18152 4032 1 6 . 1 1 107 107 THR H H 107 8.857 8.857 8.141 0.716 18152 4033 1 6 . 1 1 108 108 VAL N N 108 118.971 118.971 115.917 3.054 18152 4034 1 6 . 1 1 108 108 VAL HA H 108 3.942 3.942 4.349 -0.407 18152 4035 1 6 . 1 1 108 108 VAL C C 108 176.853 176.853 175.286 1.567 18152 4036 1 6 . 1 1 108 108 VAL CA C 108 63.878 63.878 63.608 0.270 18152 4037 1 6 . 1 1 108 108 VAL CB C 108 32.470 32.470 33.046 -0.576 18152 4038 1 6 . 1 1 108 108 VAL H H 108 6.811 6.811 7.654 -0.843 18152 4039 1 6 . 1 1 109 109 ILE N N 109 120.334 120.334 117.837 2.497 18152 4040 1 6 . 1 1 109 109 ILE HA H 109 3.438 3.438 4.145 -0.707 18152 4041 1 6 . 1 1 109 109 ILE C C 109 173.191 173.191 175.480 -2.289 18152 4042 1 6 . 1 1 109 109 ILE CA C 109 60.963 60.963 59.480 1.483 18152 4043 1 6 . 1 1 109 109 ILE CB C 109 33.933 33.933 36.293 -2.360 18152 4044 1 6 . 1 1 109 109 ILE H H 109 8.053 8.053 8.082 -0.029 18152 4045 1 6 . 1 1 110 110 ILE N N 110 118.981 118.981 118.839 0.142 18152 4046 1 6 . 1 1 110 110 ILE HA H 110 4.542 4.542 4.512 0.030 18152 4047 1 6 . 1 1 110 110 ILE C C 110 174.405 174.405 174.391 0.014 18152 4048 1 6 . 1 1 110 110 ILE CA C 110 57.932 57.932 58.784 -0.852 18152 4049 1 6 . 1 1 110 110 ILE CB C 110 42.146 42.146 38.864 3.282 18152 4050 1 6 . 1 1 110 110 ILE H H 110 6.877 6.877 7.616 -0.739 18152 4051 1 6 . 1 1 111 111 LYS N N 111 123.307 123.307 119.703 3.604 18152 4052 1 6 . 1 1 111 111 LYS HA H 111 4.609 4.609 4.616 -0.007 18152 4053 1 6 . 1 1 111 111 LYS C C 111 176.528 176.528 175.854 0.674 18152 4054 1 6 . 1 1 111 111 LYS CA C 111 56.695 56.695 55.382 1.313 18152 4055 1 6 . 1 1 111 111 LYS CB C 111 33.092 33.092 33.633 -0.541 18152 4056 1 6 . 1 1 111 111 LYS H H 111 8.492 8.492 8.157 0.335 18152 4057 1 6 . 1 1 112 112 LYS N N 112 121.425 121.425 123.272 -1.847 18152 4058 1 6 . 1 1 112 112 LYS HA H 112 4.706 4.706 4.464 0.242 18152 4059 1 6 . 1 1 112 112 LYS C C 112 175.996 175.996 175.962 0.034 18152 4060 1 6 . 1 1 112 112 LYS CA C 112 53.271 53.271 54.876 -1.605 18152 4061 1 6 . 1 1 112 112 LYS CB C 112 36.089 36.089 34.469 1.620 18152 4062 1 6 . 1 1 112 112 LYS H H 112 8.351 8.351 8.770 -0.419 18152 4063 1 6 . 1 1 113 113 GLU N N 113 119.533 119.533 120.177 -0.644 18152 4064 1 6 . 1 1 113 113 GLU HA H 113 4.372 4.372 4.382 -0.010 18152 4065 1 6 . 1 1 113 113 GLU C C 113 174.477 174.477 175.635 -1.158 18152 4066 1 6 . 1 1 113 113 GLU CA C 113 55.175 55.175 55.999 -0.825 18152 4067 1 6 . 1 1 113 113 GLU CB C 113 29.097 29.097 29.889 -0.792 18152 4068 1 6 . 1 1 113 113 GLU H H 113 8.815 8.815 8.691 0.124 18152 4069 1 6 . 1 1 114 114 GLU N N 114 117.843 117.843 118.586 -0.743 18152 4070 1 6 . 1 1 114 114 GLU HA H 114 4.701 4.701 4.711 -0.010 18152 4071 1 6 . 1 1 114 114 GLU C C 114 172.378 172.378 173.871 -1.493 18152 4072 1 6 . 1 1 114 114 GLU CA C 114 52.633 52.633 53.178 -0.545 18152 4073 1 6 . 1 1 114 114 GLU CB C 114 30.487 30.487 30.273 0.214 18152 4074 1 6 . 1 1 114 114 GLU H H 114 7.426 7.426 7.708 -0.282 18152 4075 1 6 . 1 1 115 115 PRO HA H 115 4.725 4.725 5.028 -0.303 18152 4076 1 6 . 1 1 115 115 PRO CA C 115 62.352 62.352 62.909 -0.557 18152 4077 1 6 . 1 1 115 115 PRO CB C 115 30.706 30.706 31.325 -0.619 18152 4078 1 6 . 1 1 116 116 ILE N N 116 130.464 130.464 124.324 6.140 18152 4079 1 6 . 1 1 116 116 ILE HA H 116 4.785 4.785 4.841 -0.056 18152 4080 1 6 . 1 1 116 116 ILE C C 116 172.992 172.992 174.320 -1.328 18152 4081 1 6 . 1 1 116 116 ILE CA C 116 56.976 56.976 58.947 -1.971 18152 4082 1 6 . 1 1 116 116 ILE CB C 116 41.420 41.420 41.471 -0.051 18152 4083 1 6 . 1 1 116 116 ILE H H 116 7.830 7.830 8.411 -0.581 18152 4084 1 6 . 1 1 117 117 LEU N N 117 128.504 128.504 129.705 -1.201 18152 4085 1 6 . 1 1 117 117 LEU HA H 117 5.307 5.307 5.131 0.176 18152 4086 1 6 . 1 1 117 117 LEU C C 117 174.488 174.488 175.151 -0.663 18152 4087 1 6 . 1 1 117 117 LEU CA C 117 52.062 52.062 53.171 -1.109 18152 4088 1 6 . 1 1 117 117 LEU CB C 117 45.447 45.447 44.126 1.321 18152 4089 1 6 . 1 1 117 117 LEU H H 117 8.838 8.838 8.881 -0.043 18152 4090 1 6 . 1 1 118 118 THR N N 118 125.436 125.436 122.851 2.585 18152 4091 1 6 . 1 1 118 118 THR HA H 118 5.417 5.417 4.960 0.457 18152 4092 1 6 . 1 1 118 118 THR C C 118 173.169 173.169 172.613 0.556 18152 4093 1 6 . 1 1 118 118 THR CA C 118 60.596 60.596 61.975 -1.379 18152 4094 1 6 . 1 1 118 118 THR CB C 118 68.558 68.558 70.601 -2.043 18152 4095 1 6 . 1 1 118 118 THR H H 118 8.938 8.938 9.193 -0.255 18152 4096 1 6 . 1 1 119 119 LEU N N 119 128.310 128.310 130.274 -1.964 18152 4097 1 6 . 1 1 119 119 LEU HA H 119 5.103 5.103 5.308 -0.205 18152 4098 1 6 . 1 1 119 119 LEU C C 119 174.404 174.404 174.446 -0.042 18152 4099 1 6 . 1 1 119 119 LEU CA C 119 52.439 52.439 52.975 -0.536 18152 4100 1 6 . 1 1 119 119 LEU CB C 119 44.373 44.373 45.287 -0.914 18152 4101 1 6 . 1 1 119 119 LEU H H 119 9.280 9.280 9.381 -0.101 18152 4102 1 6 . 1 1 120 120 THR N N 120 117.635 117.635 120.281 -2.646 18152 4103 1 6 . 1 1 120 120 THR HA H 120 5.590 5.590 5.676 -0.086 18152 4104 1 6 . 1 1 120 120 THR C C 120 172.735 172.735 174.119 -1.384 18152 4105 1 6 . 1 1 120 120 THR CA C 120 57.360 57.360 59.696 -2.336 18152 4106 1 6 . 1 1 120 120 THR CB C 120 70.136 70.136 71.011 -0.875 18152 4107 1 6 . 1 1 120 120 THR H H 120 8.640 8.640 9.427 -0.787 18152 4108 1 6 . 1 1 121 121 THR N N 121 116.149 116.149 117.479 -1.330 18152 4109 1 6 . 1 1 121 121 THR HA H 121 4.766 4.766 5.601 -0.835 18152 4110 1 6 . 1 1 121 121 THR C C 121 174.145 174.145 173.632 0.513 18152 4111 1 6 . 1 1 121 121 THR CA C 121 59.550 59.550 59.342 0.208 18152 4112 1 6 . 1 1 121 121 THR CB C 121 71.701 71.701 72.470 -0.769 18152 4113 1 6 . 1 1 121 121 THR H H 121 8.374 8.374 8.506 -0.132 18152 4114 1 6 . 1 1 123 123 TYR N N 123 121.847 121.847 118.280 3.567 18152 4115 1 6 . 1 1 123 123 TYR H H 123 7.461 7.461 8.337 -0.876 18152 4116 1 6 . 1 1 125 125 PHE N N 125 120.754 120.754 120.834 -0.080 18152 4117 1 6 . 1 1 125 125 PHE HA H 125 4.420 4.420 4.613 -0.193 18152 4118 1 6 . 1 1 125 125 PHE C C 125 176.083 176.083 175.610 0.473 18152 4119 1 6 . 1 1 125 125 PHE CA C 125 58.918 58.918 59.526 -0.608 18152 4120 1 6 . 1 1 125 125 PHE CB C 125 38.624 38.624 39.131 -0.507 18152 4121 1 6 . 1 1 125 125 PHE H H 125 7.334 7.334 8.994 -1.660 18152 4122 1 6 . 1 1 126 126 ASP N N 126 114.938 114.938 117.480 -2.542 18152 4123 1 6 . 1 1 126 126 ASP HA H 126 4.548 4.548 4.214 0.334 18152 4124 1 6 . 1 1 126 126 ASP C C 126 175.285 175.285 174.662 0.623 18152 4125 1 6 . 1 1 126 126 ASP CA C 126 51.974 51.974 53.458 -1.484 18152 4126 1 6 . 1 1 126 126 ASP CB C 126 39.454 39.454 41.542 -2.088 18152 4127 1 6 . 1 1 126 126 ASP H H 126 8.179 8.179 7.720 0.459 18152 4128 1 6 . 1 1 127 127 TYR N N 127 121.170 121.170 120.513 0.657 18152 4129 1 6 . 1 1 127 127 TYR HA H 127 3.947 3.947 4.651 -0.704 18152 4130 1 6 . 1 1 127 127 TYR C C 127 175.022 175.022 174.014 1.008 18152 4131 1 6 . 1 1 127 127 TYR CA C 127 58.734 58.734 57.320 1.414 18152 4132 1 6 . 1 1 127 127 TYR CB C 127 39.330 39.330 40.076 -0.746 18152 4133 1 6 . 1 1 127 127 TYR H H 127 7.196 7.196 7.913 -0.717 18152 4134 1 6 . 1 1 128 128 ILE N N 128 127.293 127.293 126.423 0.870 18152 4135 1 6 . 1 1 128 128 ILE HA H 128 4.081 4.081 3.805 0.276 18152 4136 1 6 . 1 1 128 128 ILE C C 128 174.579 174.579 175.890 -1.311 18152 4137 1 6 . 1 1 128 128 ILE CA C 128 60.165 60.165 62.148 -1.983 18152 4138 1 6 . 1 1 128 128 ILE CB C 128 37.120 37.120 37.723 -0.603 18152 4139 1 6 . 1 1 128 128 ILE H H 128 7.634 7.634 7.900 -0.266 18152 4140 1 6 . 1 1 129 129 GLY N N 129 114.862 114.862 115.306 -0.444 18152 4141 1 6 . 1 1 129 129 GLY C C 129 172.992 172.992 173.438 -0.446 18152 4142 1 6 . 1 1 129 129 GLY CA C 129 43.458 43.458 44.535 -1.077 18152 4143 1 6 . 1 1 129 129 GLY H H 129 8.150 8.150 8.265 -0.115 18152 4144 1 6 . 1 1 130 130 ASP N N 130 122.165 122.165 123.666 -1.501 18152 4145 1 6 . 1 1 130 130 ASP HA H 130 4.639 4.639 4.561 0.078 18152 4146 1 6 . 1 1 130 130 ASP C C 130 174.579 174.579 175.970 -1.391 18152 4147 1 6 . 1 1 130 130 ASP CA C 130 53.344 53.344 53.886 -0.542 18152 4148 1 6 . 1 1 130 130 ASP CB C 130 39.979 39.979 40.564 -0.585 18152 4149 1 6 . 1 1 130 130 ASP H H 130 8.541 8.541 8.455 0.086 18152 4150 1 6 . 1 1 131 131 ALA N N 131 129.087 129.087 128.898 0.189 18152 4151 1 6 . 1 1 131 131 ALA HA H 131 3.673 3.673 4.017 -0.344 18152 4152 1 6 . 1 1 131 131 ALA C C 131 176.791 176.791 176.361 0.430 18152 4153 1 6 . 1 1 131 131 ALA CA C 131 50.186 50.186 51.325 -1.139 18152 4154 1 6 . 1 1 131 131 ALA CB C 131 17.692 17.692 18.369 -0.677 18152 4155 1 6 . 1 1 131 131 ALA H H 131 8.280 8.280 8.102 0.178 18152 4156 1 6 . 1 1 133 133 ASP N N 133 117.477 117.477 114.151 3.326 18152 4157 1 6 . 1 1 133 133 ASP HA H 133 5.512 5.512 4.571 0.941 18152 4158 1 6 . 1 1 133 133 ASP C C 133 175.988 175.988 173.664 2.324 18152 4159 1 6 . 1 1 133 133 ASP CA C 133 53.067 53.067 53.407 -0.340 18152 4160 1 6 . 1 1 133 133 ASP CB C 133 45.102 45.102 44.543 0.559 18152 4161 1 6 . 1 1 133 133 ASP H H 133 7.355 7.355 7.767 -0.412 18152 4162 1 6 . 1 1 134 134 ARG N N 134 120.986 120.986 120.539 0.447 18152 4163 1 6 . 1 1 134 134 ARG HA H 134 4.871 4.871 4.705 0.166 18152 4164 1 6 . 1 1 134 134 ARG C C 134 172.288 172.288 174.661 -2.373 18152 4165 1 6 . 1 1 134 134 ARG CA C 134 53.958 53.958 54.816 -0.858 18152 4166 1 6 . 1 1 134 134 ARG CB C 134 33.787 33.787 33.842 -0.055 18152 4167 1 6 . 1 1 134 134 ARG H H 134 9.308 9.308 9.019 0.289 18152 4168 1 6 . 1 1 135 135 TYR N N 135 127.342 127.342 127.601 -0.259 18152 4169 1 6 . 1 1 135 135 TYR HA H 135 4.037 4.037 4.309 -0.272 18152 4170 1 6 . 1 1 135 135 TYR C C 135 173.811 173.811 174.049 -0.238 18152 4171 1 6 . 1 1 135 135 TYR CA C 135 57.419 57.419 59.315 -1.896 18152 4172 1 6 . 1 1 135 135 TYR CB C 135 40.515 40.515 39.612 0.903 18152 4173 1 6 . 1 1 135 135 TYR H H 135 8.867 8.867 8.444 0.423 18152 4174 1 6 . 1 1 136 136 ILE N N 136 128.458 128.458 126.758 1.700 18152 4175 1 6 . 1 1 136 136 ILE HA H 136 4.133 4.133 4.290 -0.157 18152 4176 1 6 . 1 1 136 136 ILE C C 136 173.610 173.610 173.771 -0.161 18152 4177 1 6 . 1 1 136 136 ILE CA C 136 58.968 58.968 58.527 0.441 18152 4178 1 6 . 1 1 136 136 ILE CB C 136 40.998 40.998 37.945 3.053 18152 4179 1 6 . 1 1 136 136 ILE H H 136 8.569 8.569 8.555 0.014 18152 4180 1 6 . 1 1 137 137 ILE N N 137 123.623 123.623 128.707 -5.084 18152 4181 1 6 . 1 1 137 137 ILE HA H 137 4.330 4.330 4.097 0.233 18152 4182 1 6 . 1 1 137 137 ILE C C 137 173.524 173.524 174.053 -0.529 18152 4183 1 6 . 1 1 137 137 ILE CA C 137 59.873 59.873 59.315 0.558 18152 4184 1 6 . 1 1 137 137 ILE CB C 137 40.767 40.767 38.264 2.503 18152 4185 1 6 . 1 1 137 137 ILE H H 137 8.263 8.263 9.187 -0.924 18152 4186 1 6 . 1 1 138 138 GLU N N 138 127.009 127.009 129.348 -2.339 18152 4187 1 6 . 1 1 138 138 GLU HA H 138 5.219 5.219 4.573 0.646 18152 4188 1 6 . 1 1 138 138 GLU C C 138 175.383 175.383 174.688 0.695 18152 4189 1 6 . 1 1 138 138 GLU CA C 138 54.895 54.895 55.076 -0.181 18152 4190 1 6 . 1 1 138 138 GLU CB C 138 33.904 33.904 32.567 1.337 18152 4191 1 6 . 1 1 138 138 GLU H H 138 9.166 9.166 8.018 1.148 18152 4192 1 6 . 1 1 139 139 ALA N N 139 132.785 132.785 126.758 6.027 18152 4193 1 6 . 1 1 139 139 ALA HA H 139 5.231 5.231 5.380 -0.149 18152 4194 1 6 . 1 1 139 139 ALA C C 139 173.789 173.789 175.051 -1.262 18152 4195 1 6 . 1 1 139 139 ALA CA C 139 50.197 50.197 51.115 -0.919 18152 4196 1 6 . 1 1 139 139 ALA CB C 139 24.262 24.262 23.268 0.994 18152 4197 1 6 . 1 1 139 139 ALA H H 139 10.313 10.313 8.597 1.716 18152 4198 1 6 . 1 1 140 140 LYS N N 140 120.672 120.672 122.806 -2.134 18152 4199 1 6 . 1 1 140 140 LYS HA H 140 5.062 5.062 5.050 0.012 18152 4200 1 6 . 1 1 140 140 LYS C C 140 175.807 175.807 175.082 0.725 18152 4201 1 6 . 1 1 140 140 LYS CA C 140 54.250 54.250 54.160 0.090 18152 4202 1 6 . 1 1 140 140 LYS CB C 140 34.937 34.937 36.881 -1.944 18152 4203 1 6 . 1 1 140 140 LYS H H 140 8.507 8.507 8.788 -0.281 18152 4204 1 6 . 1 1 141 141 LEU N N 141 126.557 126.557 127.343 -0.786 18152 4205 1 6 . 1 1 141 141 LEU HA H 141 4.107 4.107 4.241 -0.134 18152 4206 1 6 . 1 1 141 141 LEU C C 141 177.236 177.236 176.549 0.687 18152 4207 1 6 . 1 1 141 141 LEU CA C 141 56.169 56.169 55.480 0.688 18152 4208 1 6 . 1 1 141 141 LEU CB C 141 42.408 42.408 42.317 0.091 18152 4209 1 6 . 1 1 141 141 LEU H H 141 7.560 7.560 8.342 -0.782 18152 4210 1 6 . 1 1 142 142 THR N N 142 119.454 119.454 120.621 -1.167 18152 4211 1 6 . 1 1 142 142 THR HA H 142 4.522 4.522 4.505 0.017 18152 4212 1 6 . 1 1 142 142 THR C C 142 175.187 175.187 174.465 0.722 18152 4213 1 6 . 1 1 142 142 THR CA C 142 60.915 60.915 61.655 -0.740 18152 4214 1 6 . 1 1 142 142 THR CB C 142 69.490 69.490 70.154 -0.664 18152 4215 1 6 . 1 1 142 142 THR H H 142 9.562 9.562 8.990 0.572 18152 4216 1 6 . 1 1 143 143 GLY N N 143 109.946 109.946 109.286 0.660 18152 4217 1 6 . 1 1 143 143 GLY C C 143 170.713 170.713 171.783 -1.070 18152 4218 1 6 . 1 1 143 143 GLY CA C 143 45.254 45.254 43.874 1.380 18152 4219 1 6 . 1 1 143 143 GLY H H 143 7.513 7.513 7.538 -0.025 18152 4220 1 6 . 1 1 144 144 SER N N 144 112.778 112.778 114.109 -1.331 18152 4221 1 6 . 1 1 144 144 SER HA H 144 5.059 5.059 5.191 -0.132 18152 4222 1 6 . 1 1 144 144 SER C C 144 173.178 173.178 172.385 0.793 18152 4223 1 6 . 1 1 144 144 SER CA C 144 56.393 56.393 56.526 -0.133 18152 4224 1 6 . 1 1 144 144 SER CB C 144 65.587 65.587 66.081 -0.493 18152 4225 1 6 . 1 1 144 144 SER H H 144 7.877 7.877 7.936 -0.059 18152 4226 1 6 . 1 1 145 145 TYR N N 145 119.351 119.351 120.064 -0.713 18152 4227 1 6 . 1 1 145 145 TYR HA H 145 4.755 4.755 4.757 -0.002 18152 4228 1 6 . 1 1 145 145 TYR C C 145 174.580 174.580 174.450 0.130 18152 4229 1 6 . 1 1 145 145 TYR CA C 145 56.413 56.413 56.663 -0.250 18152 4230 1 6 . 1 1 145 145 TYR CB C 145 40.096 40.096 43.645 -3.549 18152 4231 1 6 . 1 1 145 145 TYR H H 145 8.374 8.374 8.988 -0.614 18152 4232 1 6 . 1 1 146 146 SER N N 146 117.533 117.533 115.599 1.934 18152 4233 1 6 . 1 1 146 146 SER HA H 146 4.564 4.564 4.798 -0.234 18152 4234 1 6 . 1 1 146 146 SER CA C 146 58.000 58.000 56.980 1.020 18152 4235 1 6 . 1 1 146 146 SER CB C 146 63.905 63.905 65.294 -1.389 18152 4236 1 6 . 1 1 146 146 SER H H 146 8.502 8.502 8.582 -0.080 18152 4237 1 7 . 1 1 7 7 GLN N N 7 122.485 122.485 116.977 5.508 18152 4238 1 7 . 1 1 7 7 GLN CA C 7 55.218 55.218 57.652 -2.434 18152 4239 1 7 . 1 1 7 7 GLN CB C 7 28.842 28.842 27.143 1.699 18152 4240 1 7 . 1 1 7 7 GLN H H 7 8.175 8.175 8.710 -0.535 18152 4241 1 7 . 1 1 8 8 THR N N 8 115.244 115.244 114.703 0.541 18152 4242 1 7 . 1 1 8 8 THR HA H 8 4.189 4.189 4.418 -0.229 18152 4243 1 7 . 1 1 8 8 THR C C 8 173.961 173.961 173.351 0.610 18152 4244 1 7 . 1 1 8 8 THR CA C 8 61.486 61.486 61.815 -0.329 18152 4245 1 7 . 1 1 8 8 THR CB C 8 69.316 69.316 70.338 -1.022 18152 4246 1 7 . 1 1 8 8 THR H H 8 8.027 8.027 7.444 0.583 18152 4247 1 7 . 1 1 9 9 GLU N N 9 123.496 123.496 122.472 1.024 18152 4248 1 7 . 1 1 9 9 GLU HA H 9 4.060 4.060 3.747 0.313 18152 4249 1 7 . 1 1 9 9 GLU C C 9 175.555 175.555 175.080 0.475 18152 4250 1 7 . 1 1 9 9 GLU CA C 9 55.868 55.868 57.187 -1.319 18152 4251 1 7 . 1 1 9 9 GLU CB C 9 29.611 29.611 30.324 -0.713 18152 4252 1 7 . 1 1 9 9 GLU H H 9 8.225 8.225 8.364 -0.139 18152 4253 1 7 . 1 1 10 10 HIS N N 10 119.084 119.084 121.444 -2.360 18152 4254 1 7 . 1 1 10 10 HIS HA H 10 4.384 4.384 4.276 0.108 18152 4255 1 7 . 1 1 10 10 HIS C C 10 173.742 173.742 174.812 -1.070 18152 4256 1 7 . 1 1 10 10 HIS CA C 10 53.932 53.932 57.092 -3.159 18152 4257 1 7 . 1 1 10 10 HIS CB C 10 28.922 28.922 29.436 -0.514 18152 4258 1 7 . 1 1 10 10 HIS H H 10 7.357 7.357 8.403 -1.046 18152 4259 1 7 . 1 1 11 11 LYS N N 11 121.509 121.509 125.578 -4.069 18152 4260 1 7 . 1 1 11 11 LYS HA H 11 4.469 4.469 4.685 -0.216 18152 4261 1 7 . 1 1 11 11 LYS C C 11 176.210 176.210 175.699 0.511 18152 4262 1 7 . 1 1 11 11 LYS CA C 11 54.245 54.245 54.399 -0.154 18152 4263 1 7 . 1 1 11 11 LYS CB C 11 33.548 33.548 35.822 -2.274 18152 4264 1 7 . 1 1 11 11 LYS H H 11 8.409 8.409 8.250 0.159 18152 4265 1 7 . 1 1 12 12 GLU N N 12 123.025 123.025 121.853 1.172 18152 4266 1 7 . 1 1 12 12 GLU HA H 12 4.240 4.240 4.341 -0.101 18152 4267 1 7 . 1 1 12 12 GLU C C 12 178.023 178.023 177.575 0.448 18152 4268 1 7 . 1 1 12 12 GLU CA C 12 58.350 58.350 57.726 0.624 18152 4269 1 7 . 1 1 12 12 GLU CB C 12 29.254 29.254 29.104 0.150 18152 4270 1 7 . 1 1 12 12 GLU H H 12 8.929 8.929 8.888 0.041 18152 4271 1 7 . 1 1 13 13 GLY N N 13 113.216 113.216 113.970 -0.754 18152 4272 1 7 . 1 1 13 13 GLY C C 13 174.141 174.141 173.941 0.200 18152 4273 1 7 . 1 1 13 13 GLY CA C 13 45.243 45.243 44.948 0.295 18152 4274 1 7 . 1 1 13 13 GLY H H 13 9.714 9.714 9.428 0.286 18152 4275 1 7 . 1 1 14 14 GLU N N 14 120.782 120.782 120.898 -0.116 18152 4276 1 7 . 1 1 14 14 GLU HA H 14 4.472 4.472 4.824 -0.352 18152 4277 1 7 . 1 1 14 14 GLU C C 14 176.436 176.436 175.637 0.799 18152 4278 1 7 . 1 1 14 14 GLU CA C 14 55.641 55.641 54.626 1.016 18152 4279 1 7 . 1 1 14 14 GLU CB C 14 30.989 30.989 32.751 -1.762 18152 4280 1 7 . 1 1 14 14 GLU H H 14 8.289 8.289 7.900 0.389 18152 4281 1 7 . 1 1 15 15 LYS N N 15 125.126 125.126 127.374 -2.248 18152 4282 1 7 . 1 1 15 15 LYS HA H 15 4.100 4.100 3.437 0.663 18152 4283 1 7 . 1 1 15 15 LYS C C 15 176.970 176.970 176.479 0.491 18152 4284 1 7 . 1 1 15 15 LYS CA C 15 57.098 57.098 57.293 -0.195 18152 4285 1 7 . 1 1 15 15 LYS CB C 15 31.680 31.680 31.259 0.421 18152 4286 1 7 . 1 1 15 15 LYS H H 15 8.978 8.978 9.012 -0.034 18152 4287 1 7 . 1 1 16 16 VAL N N 16 119.214 119.214 119.917 -0.703 18152 4288 1 7 . 1 1 16 16 VAL HA H 16 4.572 4.572 4.326 0.246 18152 4289 1 7 . 1 1 16 16 VAL C C 16 174.148 174.148 174.916 -0.768 18152 4290 1 7 . 1 1 16 16 VAL CA C 16 60.141 60.141 61.583 -1.442 18152 4291 1 7 . 1 1 16 16 VAL CB C 16 34.881 34.881 33.519 1.362 18152 4292 1 7 . 1 1 16 16 VAL H H 16 8.976 8.976 7.881 1.095 18152 4293 1 7 . 1 1 17 17 ALA N N 17 121.368 121.368 121.131 0.237 18152 4294 1 7 . 1 1 17 17 ALA HA H 17 5.186 5.186 5.316 -0.130 18152 4295 1 7 . 1 1 17 17 ALA C C 17 174.664 174.664 174.890 -0.226 18152 4296 1 7 . 1 1 17 17 ALA CA C 17 51.098 51.098 50.074 1.024 18152 4297 1 7 . 1 1 17 17 ALA CB C 17 22.853 22.853 22.902 -0.049 18152 4298 1 7 . 1 1 17 17 ALA H H 17 8.069 8.069 7.622 0.447 18152 4299 1 7 . 1 1 18 18 MET N N 18 116.475 116.475 120.108 -3.633 18152 4300 1 7 . 1 1 18 18 MET HA H 18 5.303 5.303 4.934 0.369 18152 4301 1 7 . 1 1 18 18 MET C C 18 174.413 174.413 174.073 0.340 18152 4302 1 7 . 1 1 18 18 MET CA C 18 53.607 53.607 54.541 -0.934 18152 4303 1 7 . 1 1 18 18 MET CB C 18 35.038 35.038 37.019 -1.981 18152 4304 1 7 . 1 1 18 18 MET H H 18 8.142 8.142 8.550 -0.408 18152 4305 1 7 . 1 1 19 19 LEU N N 19 126.244 126.244 126.988 -0.744 18152 4306 1 7 . 1 1 19 19 LEU HA H 19 5.268 5.268 5.035 0.233 18152 4307 1 7 . 1 1 19 19 LEU C C 19 173.617 173.617 174.087 -0.470 18152 4308 1 7 . 1 1 19 19 LEU CA C 19 52.851 52.851 53.608 -0.757 18152 4309 1 7 . 1 1 19 19 LEU CB C 19 44.705 44.705 44.536 0.169 18152 4310 1 7 . 1 1 19 19 LEU H H 19 9.369 9.369 9.454 -0.085 18152 4311 1 7 . 1 1 20 20 ASN N N 20 126.596 126.596 126.262 0.334 18152 4312 1 7 . 1 1 20 20 ASN HA H 20 5.340 5.340 5.383 -0.043 18152 4313 1 7 . 1 1 20 20 ASN C C 20 174.316 174.316 173.598 0.718 18152 4314 1 7 . 1 1 20 20 ASN CA C 20 51.344 51.344 52.068 -0.724 18152 4315 1 7 . 1 1 20 20 ASN CB C 20 40.972 40.972 42.000 -1.028 18152 4316 1 7 . 1 1 20 20 ASN H H 20 10.032 10.032 9.492 0.540 18152 4317 1 7 . 1 1 21 21 ILE N N 21 123.799 123.799 125.664 -1.865 18152 4318 1 7 . 1 1 21 21 ILE HA H 21 4.829 4.829 4.928 -0.099 18152 4319 1 7 . 1 1 21 21 ILE C C 21 174.409 174.409 174.906 -0.497 18152 4320 1 7 . 1 1 21 21 ILE CA C 21 58.243 58.243 58.063 0.180 18152 4321 1 7 . 1 1 21 21 ILE CB C 21 37.477 37.477 39.094 -1.617 18152 4322 1 7 . 1 1 21 21 ILE H H 21 8.614 8.614 9.323 -0.709 18152 4323 1 7 . 1 1 22 22 PRO HA H 22 4.178 4.178 4.406 -0.228 18152 4324 1 7 . 1 1 22 22 PRO CA C 22 65.629 65.629 65.433 0.196 18152 4325 1 7 . 1 1 22 22 PRO CB C 22 31.806 31.806 31.995 -0.189 18152 4326 1 7 . 1 1 23 23 LYS N N 23 118.170 118.170 121.560 -3.390 18152 4327 1 7 . 1 1 23 23 LYS HA H 23 3.943 3.943 4.146 -0.203 18152 4328 1 7 . 1 1 23 23 LYS C C 23 177.231 177.231 177.919 -0.688 18152 4329 1 7 . 1 1 23 23 LYS CA C 23 58.643 58.643 58.461 0.182 18152 4330 1 7 . 1 1 23 23 LYS CB C 23 33.171 33.171 31.985 1.186 18152 4331 1 7 . 1 1 23 23 LYS H H 23 9.365 9.365 8.449 0.916 18152 4332 1 7 . 1 1 24 24 LEU N N 24 111.984 111.984 117.707 -5.723 18152 4333 1 7 . 1 1 24 24 LEU HA H 24 4.319 4.319 4.469 -0.150 18152 4334 1 7 . 1 1 24 24 LEU C C 24 175.562 175.562 176.168 -0.606 18152 4335 1 7 . 1 1 24 24 LEU CA C 24 52.965 52.965 54.322 -1.357 18152 4336 1 7 . 1 1 24 24 LEU CB C 24 42.473 42.473 40.889 1.584 18152 4337 1 7 . 1 1 24 24 LEU H H 24 6.919 6.919 8.008 -1.089 18152 4338 1 7 . 1 1 25 25 LYS N N 25 115.814 115.814 117.895 -2.081 18152 4339 1 7 . 1 1 25 25 LYS HA H 25 3.849 3.849 3.949 -0.100 18152 4340 1 7 . 1 1 25 25 LYS C C 25 175.297 175.297 175.642 -0.345 18152 4341 1 7 . 1 1 25 25 LYS CA C 25 56.598 56.598 57.485 -0.887 18152 4342 1 7 . 1 1 25 25 LYS CB C 25 28.918 28.918 29.702 -0.784 18152 4343 1 7 . 1 1 25 25 LYS H H 25 7.912 7.912 7.573 0.339 18152 4344 1 7 . 1 1 26 26 LYS N N 26 115.145 115.145 118.003 -2.858 18152 4345 1 7 . 1 1 26 26 LYS HA H 26 4.559 4.559 4.430 0.129 18152 4346 1 7 . 1 1 26 26 LYS C C 26 173.961 173.961 173.853 0.108 18152 4347 1 7 . 1 1 26 26 LYS CA C 26 53.788 53.788 54.467 -0.679 18152 4348 1 7 . 1 1 26 26 LYS CB C 26 37.483 37.483 37.274 0.209 18152 4349 1 7 . 1 1 26 26 LYS H H 26 6.765 6.765 8.254 -1.489 18152 4350 1 7 . 1 1 27 27 LYS N N 27 119.758 119.758 119.560 0.198 18152 4351 1 7 . 1 1 27 27 LYS HA H 27 5.452 5.452 5.158 0.294 18152 4352 1 7 . 1 1 27 27 LYS C C 27 175.482 175.482 175.125 0.357 18152 4353 1 7 . 1 1 27 27 LYS CA C 27 53.883 53.883 55.066 -1.183 18152 4354 1 7 . 1 1 27 27 LYS CB C 27 35.855 35.855 35.992 -0.137 18152 4355 1 7 . 1 1 27 27 LYS H H 27 7.885 7.885 7.940 -0.055 18152 4356 1 7 . 1 1 28 28 PHE N N 28 119.077 119.077 121.848 -2.771 18152 4357 1 7 . 1 1 28 28 PHE HA H 28 4.871 4.871 4.885 -0.014 18152 4358 1 7 . 1 1 28 28 PHE C C 28 175.477 175.477 174.665 0.812 18152 4359 1 7 . 1 1 28 28 PHE CA C 28 56.100 56.100 56.853 -0.753 18152 4360 1 7 . 1 1 28 28 PHE CB C 28 42.734 42.734 43.527 -0.793 18152 4361 1 7 . 1 1 28 28 PHE H H 28 9.397 9.397 9.551 -0.154 18152 4362 1 7 . 1 1 29 29 SER N N 29 121.189 121.189 118.015 3.174 18152 4363 1 7 . 1 1 29 29 SER HA H 29 4.848 4.848 4.654 0.194 18152 4364 1 7 . 1 1 29 29 SER C C 29 172.010 172.010 173.505 -1.495 18152 4365 1 7 . 1 1 29 29 SER CA C 29 59.961 59.961 58.742 1.219 18152 4366 1 7 . 1 1 29 29 SER CB C 29 64.433 64.433 64.025 0.408 18152 4367 1 7 . 1 1 29 29 SER H H 29 9.010 9.010 8.855 0.155 18152 4368 1 7 . 1 1 30 30 ILE N N 30 120.881 120.881 127.056 -6.175 18152 4369 1 7 . 1 1 30 30 ILE HA H 30 4.942 4.942 4.493 0.449 18152 4370 1 7 . 1 1 30 30 ILE C C 30 174.874 174.874 174.853 0.021 18152 4371 1 7 . 1 1 30 30 ILE CA C 30 57.775 57.775 60.352 -2.577 18152 4372 1 7 . 1 1 30 30 ILE CB C 30 38.001 38.001 39.056 -1.055 18152 4373 1 7 . 1 1 30 30 ILE H H 30 8.084 8.084 8.713 -0.629 18152 4374 1 7 . 1 1 31 31 TYR N N 31 127.573 127.573 126.397 1.176 18152 4375 1 7 . 1 1 31 31 TYR HA H 31 5.299 5.299 4.977 0.322 18152 4376 1 7 . 1 1 31 31 TYR C C 31 174.806 174.806 175.665 -0.859 18152 4377 1 7 . 1 1 31 31 TYR CA C 31 56.120 56.120 56.722 -0.603 18152 4378 1 7 . 1 1 31 31 TYR CB C 31 41.139 41.139 40.985 0.154 18152 4379 1 7 . 1 1 31 31 TYR H H 31 9.174 9.174 8.641 0.533 18152 4380 1 7 . 1 1 32 32 TRP N N 32 121.993 121.993 123.911 -1.918 18152 4381 1 7 . 1 1 32 32 TRP HA H 32 4.583 4.583 4.421 0.162 18152 4382 1 7 . 1 1 32 32 TRP C C 32 175.194 175.194 175.949 -0.755 18152 4383 1 7 . 1 1 32 32 TRP CA C 32 57.396 57.396 59.602 -2.206 18152 4384 1 7 . 1 1 32 32 TRP CB C 32 29.670 29.670 30.611 -0.941 18152 4385 1 7 . 1 1 32 32 TRP H H 32 9.007 9.007 9.001 0.006 18152 4386 1 7 . 1 1 33 33 GLY N N 33 120.470 120.470 112.738 7.732 18152 4387 1 7 . 1 1 33 33 GLY C C 33 171.936 171.936 172.215 -0.279 18152 4388 1 7 . 1 1 33 33 GLY CA C 33 44.532 44.532 44.379 0.153 18152 4389 1 7 . 1 1 33 33 GLY H H 33 7.758 7.758 7.423 0.335 18152 4390 1 7 . 1 1 34 34 ALA N N 34 120.239 120.239 125.955 -5.716 18152 4391 1 7 . 1 1 34 34 ALA HA H 34 4.447 4.447 4.460 -0.013 18152 4392 1 7 . 1 1 34 34 ALA C C 34 176.174 176.174 176.311 -0.137 18152 4393 1 7 . 1 1 34 34 ALA CA C 34 49.913 49.913 50.661 -0.748 18152 4394 1 7 . 1 1 34 34 ALA CB C 34 18.955 18.955 19.759 -0.804 18152 4395 1 7 . 1 1 34 34 ALA H H 34 7.883 7.883 8.096 -0.213 18152 4396 1 7 . 1 1 35 35 ASP N N 35 118.828 118.828 124.772 -5.944 18152 4397 1 7 . 1 1 35 35 ASP HA H 35 4.450 4.450 4.756 -0.306 18152 4398 1 7 . 1 1 35 35 ASP C C 35 175.990 175.990 176.348 -0.358 18152 4399 1 7 . 1 1 35 35 ASP CA C 35 53.030 53.030 53.667 -0.637 18152 4400 1 7 . 1 1 35 35 ASP CB C 35 41.508 41.508 41.927 -0.419 18152 4401 1 7 . 1 1 35 35 ASP H H 35 7.944 7.944 8.350 -0.406 18152 4402 1 7 . 1 1 36 36 ASP N N 36 121.051 121.051 123.473 -2.422 18152 4403 1 7 . 1 1 36 36 ASP HA H 36 4.335 4.335 4.508 -0.173 18152 4404 1 7 . 1 1 36 36 ASP C C 36 177.296 177.296 176.471 0.825 18152 4405 1 7 . 1 1 36 36 ASP CA C 36 55.183 55.183 54.761 0.422 18152 4406 1 7 . 1 1 36 36 ASP CB C 36 39.837 39.837 40.452 -0.614 18152 4407 1 7 . 1 1 36 36 ASP H H 36 8.509 8.509 8.687 -0.178 18152 4408 1 7 . 1 1 37 37 ALA N N 37 119.568 119.568 121.044 -1.476 18152 4409 1 7 . 1 1 37 37 ALA HA H 37 4.060 4.060 4.371 -0.311 18152 4410 1 7 . 1 1 37 37 ALA C C 37 179.598 179.598 177.773 1.825 18152 4411 1 7 . 1 1 37 37 ALA CA C 37 53.967 53.967 53.277 0.690 18152 4412 1 7 . 1 1 37 37 ALA CB C 37 18.009 18.009 19.029 -1.020 18152 4413 1 7 . 1 1 37 37 ALA H H 37 8.169 8.169 8.154 0.015 18152 4414 1 7 . 1 1 38 38 THR HA H 38 3.850 3.850 4.485 -0.635 18152 4415 1 7 . 1 1 38 38 THR CA C 38 68.437 68.437 60.877 7.560 18152 4416 1 7 . 1 1 38 38 THR CB C 38 72.916 72.916 69.475 3.441 18152 4417 1 7 . 1 1 38 38 THR H H 38 7.621 7.621 7.380 0.241 18152 4418 1 7 . 1 1 42 42 GLY N N 42 106.310 106.310 106.850 -0.540 18152 4419 1 7 . 1 1 42 42 GLY CA C 42 46.480 46.480 45.084 1.396 18152 4420 1 7 . 1 1 43 43 VAL N N 43 121.961 121.961 119.684 2.277 18152 4421 1 7 . 1 1 43 43 VAL HA H 43 4.481 4.481 4.807 -0.326 18152 4422 1 7 . 1 1 43 43 VAL C C 43 174.308 174.308 174.687 -0.379 18152 4423 1 7 . 1 1 43 43 VAL CA C 43 61.079 61.079 59.895 1.184 18152 4424 1 7 . 1 1 43 43 VAL CB C 43 32.911 32.911 31.066 1.845 18152 4425 1 7 . 1 1 43 43 VAL H H 43 8.247 8.247 7.563 0.684 18152 4426 1 7 . 1 1 44 44 GLY N N 44 114.325 114.325 113.532 0.793 18152 4427 1 7 . 1 1 44 44 GLY C C 44 172.465 172.465 172.235 0.230 18152 4428 1 7 . 1 1 44 44 GLY CA C 44 43.458 43.458 43.516 -0.058 18152 4429 1 7 . 1 1 44 44 GLY H H 44 9.063 9.063 8.327 0.736 18152 4430 1 7 . 1 1 45 45 MET N N 45 125.031 125.031 124.249 0.782 18152 4431 1 7 . 1 1 45 45 MET HA H 45 4.742 4.742 5.163 -0.421 18152 4432 1 7 . 1 1 45 45 MET C C 45 173.873 173.873 174.265 -0.392 18152 4433 1 7 . 1 1 45 45 MET CA C 45 54.084 54.084 51.963 2.121 18152 4434 1 7 . 1 1 45 45 MET CB C 45 34.548 34.548 33.806 0.742 18152 4435 1 7 . 1 1 45 45 MET H H 45 8.966 8.966 8.734 0.232 18152 4436 1 7 . 1 1 46 46 PHE N N 46 127.637 127.637 127.168 0.469 18152 4437 1 7 . 1 1 46 46 PHE HA H 46 3.611 3.611 4.232 -0.621 18152 4438 1 7 . 1 1 46 46 PHE C C 46 175.023 175.023 173.708 1.315 18152 4439 1 7 . 1 1 46 46 PHE CA C 46 59.286 59.286 58.833 0.453 18152 4440 1 7 . 1 1 46 46 PHE CB C 46 40.644 40.644 39.837 0.807 18152 4441 1 7 . 1 1 46 46 PHE H H 46 8.790 8.790 8.049 0.741 18152 4442 1 7 . 1 1 47 47 VAL N N 47 130.695 130.695 126.704 3.991 18152 4443 1 7 . 1 1 47 47 VAL HA H 47 3.663 3.663 3.818 -0.155 18152 4444 1 7 . 1 1 47 47 VAL C C 47 174.235 174.235 174.301 -0.066 18152 4445 1 7 . 1 1 47 47 VAL CA C 47 61.455 61.455 61.412 0.043 18152 4446 1 7 . 1 1 47 47 VAL CB C 47 32.002 32.002 33.072 -1.070 18152 4447 1 7 . 1 1 47 47 VAL H H 47 7.942 7.942 7.276 0.666 18152 4448 1 7 . 1 1 48 48 SER N N 48 120.391 120.391 121.194 -0.803 18152 4449 1 7 . 1 1 48 48 SER HA H 48 4.626 4.626 4.543 0.083 18152 4450 1 7 . 1 1 48 48 SER C C 48 173.167 173.167 173.069 0.098 18152 4451 1 7 . 1 1 48 48 SER CA C 48 57.384 57.384 57.282 0.102 18152 4452 1 7 . 1 1 48 48 SER CB C 48 65.720 65.720 66.064 -0.343 18152 4453 1 7 . 1 1 48 48 SER H H 48 7.971 7.971 8.751 -0.780 18152 4454 1 7 . 1 1 49 49 ASP N N 49 117.498 117.498 121.055 -3.557 18152 4455 1 7 . 1 1 49 49 ASP HA H 49 4.603 4.603 4.549 0.054 18152 4456 1 7 . 1 1 49 49 ASP C C 49 174.539 174.539 176.323 -1.784 18152 4457 1 7 . 1 1 49 49 ASP CA C 49 55.222 55.222 55.550 -0.328 18152 4458 1 7 . 1 1 49 49 ASP CB C 49 40.206 40.206 40.881 -0.675 18152 4459 1 7 . 1 1 49 49 ASP H H 49 8.701 8.701 8.732 -0.031 18152 4460 1 7 . 1 1 50 50 VAL N N 50 109.465 109.465 109.476 -0.011 18152 4461 1 7 . 1 1 50 50 VAL HA H 50 4.455 4.455 4.425 0.030 18152 4462 1 7 . 1 1 50 50 VAL C C 50 174.487 174.487 175.655 -1.168 18152 4463 1 7 . 1 1 50 50 VAL CA C 50 60.840 60.840 62.052 -1.212 18152 4464 1 7 . 1 1 50 50 VAL CB C 50 32.067 32.067 33.022 -0.955 18152 4465 1 7 . 1 1 50 50 VAL H H 50 7.770 7.770 7.224 0.546 18152 4466 1 7 . 1 1 51 51 THR N N 51 110.572 110.572 114.019 -3.447 18152 4467 1 7 . 1 1 51 51 THR HA H 51 5.293 5.293 4.678 0.615 18152 4468 1 7 . 1 1 51 51 THR C C 51 174.591 174.591 174.998 -0.407 18152 4469 1 7 . 1 1 51 51 THR CA C 51 58.487 58.487 61.760 -3.272 18152 4470 1 7 . 1 1 51 51 THR CB C 51 71.674 71.674 70.417 1.257 18152 4471 1 7 . 1 1 51 51 THR H H 51 7.095 7.095 7.220 -0.125 18152 4472 1 7 . 1 1 52 52 THR N N 52 109.706 109.706 113.284 -3.578 18152 4473 1 7 . 1 1 52 52 THR HA H 52 4.988 4.988 4.882 0.106 18152 4474 1 7 . 1 1 52 52 THR C C 52 177.060 177.060 173.486 3.574 18152 4475 1 7 . 1 1 52 52 THR CA C 52 59.777 59.777 59.869 -0.092 18152 4476 1 7 . 1 1 52 52 THR CB C 52 72.911 72.911 71.774 1.137 18152 4477 1 7 . 1 1 52 52 THR H H 52 8.836 8.836 8.900 -0.064 18152 4478 1 7 . 1 1 53 53 THR N N 53 113.970 113.970 111.862 2.108 18152 4479 1 7 . 1 1 53 53 THR HA H 53 4.601 4.601 4.913 -0.312 18152 4480 1 7 . 1 1 53 53 THR C C 53 176.085 176.085 174.194 1.891 18152 4481 1 7 . 1 1 53 53 THR CA C 53 60.920 60.920 57.872 3.048 18152 4482 1 7 . 1 1 53 53 THR CB C 53 67.192 67.192 70.023 -2.831 18152 4483 1 7 . 1 1 53 53 THR H H 53 8.857 8.857 8.456 0.401 18152 4484 1 7 . 1 1 54 54 PRO HA H 54 4.023 4.023 4.458 -0.435 18152 4485 1 7 . 1 1 54 54 PRO CA C 54 64.658 64.658 62.809 1.849 18152 4486 1 7 . 1 1 54 54 PRO CB C 54 29.665 29.665 29.933 -0.268 18152 4487 1 7 . 1 1 55 55 SER N N 55 105.932 105.932 113.991 -8.059 18152 4488 1 7 . 1 1 55 55 SER HA H 55 4.448 4.448 4.224 0.224 18152 4489 1 7 . 1 1 55 55 SER C C 55 176.253 176.253 174.180 2.073 18152 4490 1 7 . 1 1 55 55 SER CA C 55 58.086 58.086 58.359 -0.273 18152 4491 1 7 . 1 1 55 55 SER CB C 55 62.950 62.950 64.768 -1.818 18152 4492 1 7 . 1 1 55 55 SER H H 55 6.879 6.879 8.088 -1.209 18152 4493 1 7 . 1 1 56 56 GLY N N 56 109.826 109.826 108.790 1.036 18152 4494 1 7 . 1 1 56 56 GLY C C 56 175.832 175.832 173.753 2.079 18152 4495 1 7 . 1 1 56 56 GLY CA C 56 45.213 45.213 45.639 -0.426 18152 4496 1 7 . 1 1 56 56 GLY H H 56 7.733 7.733 7.083 0.650 18152 4497 1 7 . 1 1 57 57 GLY N N 57 105.805 105.805 110.570 -4.765 18152 4498 1 7 . 1 1 57 57 GLY C C 57 172.905 172.905 173.650 -0.745 18152 4499 1 7 . 1 1 57 57 GLY CA C 57 46.480 46.480 45.666 0.814 18152 4500 1 7 . 1 1 57 57 GLY H H 57 7.481 7.481 8.214 -0.733 18152 4501 1 7 . 1 1 58 58 GLY N N 58 109.086 109.086 109.641 -0.555 18152 4502 1 7 . 1 1 58 58 GLY C C 58 172.807 172.807 172.688 0.119 18152 4503 1 7 . 1 1 58 58 GLY CA C 58 43.642 43.642 44.714 -1.072 18152 4504 1 7 . 1 1 58 58 GLY H H 58 7.549 7.549 7.858 -0.309 18152 4505 1 7 . 1 1 59 59 HIS N N 59 127.776 127.776 121.926 5.850 18152 4506 1 7 . 1 1 59 59 HIS HA H 59 5.162 5.162 4.921 0.240 18152 4507 1 7 . 1 1 59 59 HIS C C 59 174.930 174.930 174.626 0.304 18152 4508 1 7 . 1 1 59 59 HIS CA C 59 52.820 52.820 54.811 -1.991 18152 4509 1 7 . 1 1 59 59 HIS CB C 59 30.250 30.250 30.174 0.076 18152 4510 1 7 . 1 1 59 59 HIS H H 59 9.517 9.517 9.044 0.473 18152 4511 1 7 . 1 1 60 60 THR N N 60 127.768 127.768 125.355 2.413 18152 4512 1 7 . 1 1 60 60 THR HA H 60 4.870 4.870 4.929 -0.059 18152 4513 1 7 . 1 1 60 60 THR C C 60 171.847 171.847 173.305 -1.458 18152 4514 1 7 . 1 1 60 60 THR CA C 60 61.358 61.358 62.869 -1.511 18152 4515 1 7 . 1 1 60 60 THR CB C 60 69.821 69.821 69.544 0.277 18152 4516 1 7 . 1 1 60 60 THR H H 60 9.769 9.769 9.250 0.519 18152 4517 1 7 . 1 1 61 61 VAL N N 61 126.493 126.493 127.757 -1.264 18152 4518 1 7 . 1 1 61 61 VAL HA H 61 4.641 4.641 5.002 -0.361 18152 4519 1 7 . 1 1 61 61 VAL C C 61 173.794 173.794 174.441 -0.647 18152 4520 1 7 . 1 1 61 61 VAL CA C 61 59.808 59.808 60.756 -0.948 18152 4521 1 7 . 1 1 61 61 VAL CB C 61 33.334 33.334 33.949 -0.615 18152 4522 1 7 . 1 1 61 61 VAL H H 61 8.534 8.534 8.161 0.373 18152 4523 1 7 . 1 1 62 62 LEU N N 62 126.342 126.342 128.496 -2.154 18152 4524 1 7 . 1 1 62 62 LEU HA H 62 5.345 5.345 5.076 0.269 18152 4525 1 7 . 1 1 62 62 LEU C C 62 175.554 175.554 175.388 0.166 18152 4526 1 7 . 1 1 62 62 LEU CA C 62 51.143 51.143 53.059 -1.916 18152 4527 1 7 . 1 1 62 62 LEU CB C 62 43.344 43.344 45.171 -1.827 18152 4528 1 7 . 1 1 62 62 LEU H H 62 9.284 9.284 9.388 -0.104 18152 4529 1 7 . 1 1 63 63 SER N N 63 116.370 116.370 115.991 0.379 18152 4530 1 7 . 1 1 63 63 SER HA H 63 5.328 5.328 5.886 -0.558 18152 4531 1 7 . 1 1 63 63 SER C C 63 174.576 174.576 173.878 0.698 18152 4532 1 7 . 1 1 63 63 SER CA C 63 54.893 54.893 56.158 -1.266 18152 4533 1 7 . 1 1 63 63 SER CB C 63 64.901 64.901 66.105 -1.204 18152 4534 1 7 . 1 1 63 63 SER H H 63 9.117 9.117 8.891 0.226 18152 4535 1 7 . 1 1 64 64 GLY N N 64 111.783 111.783 109.025 2.758 18152 4536 1 7 . 1 1 64 64 GLY C C 64 173.058 173.058 171.691 1.367 18152 4537 1 7 . 1 1 64 64 GLY CA C 64 45.547 45.547 45.556 -0.009 18152 4538 1 7 . 1 1 64 64 GLY H H 64 8.723 8.723 8.209 0.514 18152 4539 1 7 . 1 1 74 74 GLY C C 74 173.703 173.703 175.885 -2.182 18152 4540 1 7 . 1 1 74 74 GLY CA C 74 45.507 45.507 46.104 -0.597 18152 4541 1 7 . 1 1 75 75 GLN N N 75 116.093 116.093 120.821 -4.728 18152 4542 1 7 . 1 1 75 75 GLN HA H 75 4.229 4.229 4.193 0.036 18152 4543 1 7 . 1 1 75 75 GLN C C 75 177.319 177.319 176.898 0.421 18152 4544 1 7 . 1 1 75 75 GLN CA C 75 56.016 56.016 57.460 -1.444 18152 4545 1 7 . 1 1 75 75 GLN CB C 75 29.310 29.310 29.120 0.190 18152 4546 1 7 . 1 1 75 75 GLN H H 75 7.598 7.598 7.805 -0.207 18152 4547 1 7 . 1 1 76 76 LEU N N 76 117.894 117.894 116.295 1.599 18152 4548 1 7 . 1 1 76 76 LEU HA H 76 4.373 4.373 4.484 -0.111 18152 4549 1 7 . 1 1 76 76 LEU C C 76 175.639 175.639 175.331 0.308 18152 4550 1 7 . 1 1 76 76 LEU CA C 76 54.578 54.578 54.932 -0.354 18152 4551 1 7 . 1 1 76 76 LEU CB C 76 41.720 41.720 40.860 0.860 18152 4552 1 7 . 1 1 76 76 LEU H H 76 7.285 7.285 7.573 -0.288 18152 4553 1 7 . 1 1 77 77 LYS N N 77 122.287 122.287 120.596 1.691 18152 4554 1 7 . 1 1 77 77 LYS HA H 77 4.545 4.545 4.399 0.146 18152 4555 1 7 . 1 1 77 77 LYS C C 77 175.553 175.553 175.965 -0.412 18152 4556 1 7 . 1 1 77 77 LYS CA C 77 53.336 53.336 55.949 -2.613 18152 4557 1 7 . 1 1 77 77 LYS CB C 77 36.380 36.380 34.069 2.311 18152 4558 1 7 . 1 1 77 77 LYS H H 77 9.513 9.513 7.515 1.998 18152 4559 1 7 . 1 1 78 78 GLU N N 78 118.949 118.949 120.607 -1.658 18152 4560 1 7 . 1 1 78 78 GLU HA H 78 3.523 3.523 4.258 -0.735 18152 4561 1 7 . 1 1 78 78 GLU C C 78 177.053 177.053 177.132 -0.079 18152 4562 1 7 . 1 1 78 78 GLU CA C 78 59.205 59.205 58.887 0.318 18152 4563 1 7 . 1 1 78 78 GLU CB C 78 28.284 28.284 29.705 -1.421 18152 4564 1 7 . 1 1 78 78 GLU H H 78 8.900 8.900 8.951 -0.051 18152 4565 1 7 . 1 1 79 79 LYS N N 79 114.843 114.843 114.771 0.072 18152 4566 1 7 . 1 1 79 79 LYS HA H 79 3.751 3.751 4.174 -0.423 18152 4567 1 7 . 1 1 79 79 LYS C C 79 176.434 176.434 176.662 -0.228 18152 4568 1 7 . 1 1 79 79 LYS CA C 79 59.231 59.231 56.776 2.455 18152 4569 1 7 . 1 1 79 79 LYS CB C 79 29.657 29.657 31.773 -2.116 18152 4570 1 7 . 1 1 79 79 LYS H H 79 8.909 8.909 8.038 0.871 18152 4571 1 7 . 1 1 80 80 ASP N N 80 119.664 119.664 119.591 0.073 18152 4572 1 7 . 1 1 80 80 ASP HA H 80 4.946 4.946 4.674 0.272 18152 4573 1 7 . 1 1 80 80 ASP C C 80 175.886 175.886 174.534 1.352 18152 4574 1 7 . 1 1 80 80 ASP CA C 80 55.661 55.661 54.221 1.440 18152 4575 1 7 . 1 1 80 80 ASP CB C 80 41.782 41.782 42.565 -0.783 18152 4576 1 7 . 1 1 80 80 ASP H H 80 8.052 8.052 7.534 0.518 18152 4577 1 7 . 1 1 81 81 THR N N 81 111.597 111.597 111.639 -0.042 18152 4578 1 7 . 1 1 81 81 THR HA H 81 5.321 5.321 4.843 0.478 18152 4579 1 7 . 1 1 81 81 THR C C 81 174.221 174.221 173.305 0.916 18152 4580 1 7 . 1 1 81 81 THR CA C 81 61.103 61.103 60.053 1.050 18152 4581 1 7 . 1 1 81 81 THR CB C 81 71.264 71.264 72.473 -1.209 18152 4582 1 7 . 1 1 81 81 THR H H 81 8.083 8.083 8.047 0.036 18152 4583 1 7 . 1 1 82 82 LEU N N 82 120.358 120.358 123.545 -3.187 18152 4584 1 7 . 1 1 82 82 LEU HA H 82 4.836 4.836 4.887 -0.051 18152 4585 1 7 . 1 1 82 82 LEU C C 82 174.850 174.850 175.589 -0.739 18152 4586 1 7 . 1 1 82 82 LEU CA C 82 53.721 53.721 53.937 -0.216 18152 4587 1 7 . 1 1 82 82 LEU CB C 82 45.655 45.655 44.671 0.984 18152 4588 1 7 . 1 1 82 82 LEU H H 82 8.684 8.684 8.471 0.213 18152 4589 1 7 . 1 1 83 83 VAL N N 83 121.834 121.834 124.562 -2.728 18152 4590 1 7 . 1 1 83 83 VAL HA H 83 5.269 5.269 5.208 0.061 18152 4591 1 7 . 1 1 83 83 VAL C C 83 174.766 174.766 175.211 -0.445 18152 4592 1 7 . 1 1 83 83 VAL CA C 83 61.157 61.157 61.356 -0.199 18152 4593 1 7 . 1 1 83 83 VAL CB C 83 34.923 34.923 33.096 1.827 18152 4594 1 7 . 1 1 83 83 VAL H H 83 8.670 8.670 9.384 -0.714 18152 4595 1 7 . 1 1 84 84 LEU N N 84 129.811 129.811 129.733 0.078 18152 4596 1 7 . 1 1 84 84 LEU HA H 84 5.647 5.647 5.558 0.089 18152 4597 1 7 . 1 1 84 84 LEU C C 84 175.644 175.644 176.376 -0.732 18152 4598 1 7 . 1 1 84 84 LEU CA C 84 53.160 53.160 53.147 0.013 18152 4599 1 7 . 1 1 84 84 LEU CB C 84 46.815 46.815 43.743 3.071 18152 4600 1 7 . 1 1 84 84 LEU H H 84 10.025 10.025 9.547 0.478 18152 4601 1 7 . 1 1 85 85 GLU N N 85 125.273 125.273 123.746 1.527 18152 4602 1 7 . 1 1 85 85 GLU HA H 85 5.293 5.293 5.585 -0.292 18152 4603 1 7 . 1 1 85 85 GLU C C 85 175.910 175.910 175.589 0.321 18152 4604 1 7 . 1 1 85 85 GLU CA C 85 54.716 54.716 55.006 -0.290 18152 4605 1 7 . 1 1 85 85 GLU CB C 85 30.904 30.904 31.805 -0.901 18152 4606 1 7 . 1 1 85 85 GLU H H 85 9.117 9.117 9.020 0.097 18152 4607 1 7 . 1 1 86 86 TYR N N 86 125.299 125.299 125.989 -0.690 18152 4608 1 7 . 1 1 86 86 TYR HA H 86 4.825 4.825 4.837 -0.012 18152 4609 1 7 . 1 1 86 86 TYR C C 86 174.077 174.077 174.694 -0.617 18152 4610 1 7 . 1 1 86 86 TYR CA C 86 57.516 57.516 57.762 -0.246 18152 4611 1 7 . 1 1 86 86 TYR CB C 86 41.720 41.720 43.498 -1.778 18152 4612 1 7 . 1 1 86 86 TYR H H 86 9.056 9.056 9.542 -0.486 18152 4613 1 7 . 1 1 87 87 ASP N N 87 131.006 131.006 127.789 3.217 18152 4614 1 7 . 1 1 87 87 ASP HA H 87 3.921 3.921 4.147 -0.226 18152 4615 1 7 . 1 1 87 87 ASP C C 87 171.773 171.773 175.259 -3.486 18152 4616 1 7 . 1 1 87 87 ASP CA C 87 54.613 54.613 55.102 -0.489 18152 4617 1 7 . 1 1 87 87 ASP CB C 87 39.659 39.659 40.472 -0.813 18152 4618 1 7 . 1 1 87 87 ASP H H 87 9.071 9.071 8.993 0.078 18152 4619 1 7 . 1 1 88 88 ASN N N 88 109.843 109.843 111.708 -1.865 18152 4620 1 7 . 1 1 88 88 ASN HA H 88 4.159 4.159 4.351 -0.192 18152 4621 1 7 . 1 1 88 88 ASN C C 88 173.995 173.995 174.139 -0.144 18152 4622 1 7 . 1 1 88 88 ASN CA C 88 54.528 54.528 54.997 -0.469 18152 4623 1 7 . 1 1 88 88 ASN CB C 88 37.383 37.383 38.177 -0.794 18152 4624 1 7 . 1 1 88 88 ASN H H 88 8.613 8.613 8.752 -0.139 18152 4625 1 7 . 1 1 89 89 LYS N N 89 119.021 119.021 117.617 1.404 18152 4626 1 7 . 1 1 89 89 LYS HA H 89 4.714 4.714 5.033 -0.319 18152 4627 1 7 . 1 1 89 89 LYS C C 89 174.644 174.644 175.515 -0.871 18152 4628 1 7 . 1 1 89 89 LYS CA C 89 55.133 55.133 55.298 -0.165 18152 4629 1 7 . 1 1 89 89 LYS CB C 89 36.460 36.460 36.715 -0.255 18152 4630 1 7 . 1 1 89 89 LYS H H 89 7.903 7.903 8.337 -0.434 18152 4631 1 7 . 1 1 90 90 THR N N 90 117.141 117.141 119.142 -2.001 18152 4632 1 7 . 1 1 90 90 THR HA H 90 4.819 4.819 5.341 -0.522 18152 4633 1 7 . 1 1 90 90 THR C C 90 172.823 172.823 173.601 -0.778 18152 4634 1 7 . 1 1 90 90 THR CA C 90 61.745 61.745 61.520 0.225 18152 4635 1 7 . 1 1 90 90 THR CB C 90 69.709 69.709 70.097 -0.388 18152 4636 1 7 . 1 1 90 90 THR H H 90 8.451 8.451 9.249 -0.798 18152 4637 1 7 . 1 1 91 91 TYR N N 91 127.333 127.333 126.935 0.398 18152 4638 1 7 . 1 1 91 91 TYR HA H 91 4.620 4.620 4.805 -0.185 18152 4639 1 7 . 1 1 91 91 TYR C C 91 174.313 174.313 175.540 -1.227 18152 4640 1 7 . 1 1 91 91 TYR CA C 91 56.764 56.764 56.736 0.028 18152 4641 1 7 . 1 1 91 91 TYR CB C 91 41.054 41.054 41.067 -0.013 18152 4642 1 7 . 1 1 91 91 TYR H H 91 9.552 9.552 9.958 -0.406 18152 4643 1 7 . 1 1 92 92 THR N N 92 117.709 117.709 120.538 -2.829 18152 4644 1 7 . 1 1 92 92 THR HA H 92 4.941 4.941 4.771 0.170 18152 4645 1 7 . 1 1 92 92 THR C C 92 172.464 172.464 173.589 -1.125 18152 4646 1 7 . 1 1 92 92 THR CA C 92 61.320 61.320 62.007 -0.687 18152 4647 1 7 . 1 1 92 92 THR CB C 92 69.546 69.546 68.616 0.930 18152 4648 1 7 . 1 1 92 92 THR H H 92 8.705 8.705 9.320 -0.615 18152 4649 1 7 . 1 1 93 93 TYR N N 93 122.946 122.946 126.860 -3.914 18152 4650 1 7 . 1 1 93 93 TYR HA H 93 5.431 5.431 5.412 0.019 18152 4651 1 7 . 1 1 93 93 TYR C C 93 174.846 174.846 175.945 -1.099 18152 4652 1 7 . 1 1 93 93 TYR CA C 93 55.804 55.804 57.397 -1.593 18152 4653 1 7 . 1 1 93 93 TYR CB C 93 42.627 42.627 41.199 1.428 18152 4654 1 7 . 1 1 93 93 TYR H H 93 9.381 9.381 9.632 -0.251 18152 4655 1 7 . 1 1 94 94 GLU N N 94 121.240 121.240 120.479 0.761 18152 4656 1 7 . 1 1 94 94 GLU HA H 94 4.901 4.901 4.858 0.043 18152 4657 1 7 . 1 1 94 94 GLU C C 94 177.060 177.060 175.435 1.625 18152 4658 1 7 . 1 1 94 94 GLU CA C 94 54.073 54.073 54.096 -0.023 18152 4659 1 7 . 1 1 94 94 GLU CB C 94 33.787 33.787 33.586 0.201 18152 4660 1 7 . 1 1 94 94 GLU H H 94 9.100 9.100 9.159 -0.059 18152 4661 1 7 . 1 1 95 95 ILE N N 95 128.525 128.525 127.451 1.074 18152 4662 1 7 . 1 1 95 95 ILE HA H 95 3.737 3.737 4.245 -0.508 18152 4663 1 7 . 1 1 95 95 ILE C C 95 176.261 176.261 176.747 -0.486 18152 4664 1 7 . 1 1 95 95 ILE CA C 95 64.664 64.664 63.005 1.659 18152 4665 1 7 . 1 1 95 95 ILE CB C 95 37.472 37.472 36.805 0.667 18152 4666 1 7 . 1 1 95 95 ILE H H 95 9.293 9.293 8.471 0.822 18152 4667 1 7 . 1 1 96 96 GLN N N 96 127.221 127.221 128.410 -1.189 18152 4668 1 7 . 1 1 96 96 GLN HA H 96 4.831 4.831 4.424 0.407 18152 4669 1 7 . 1 1 96 96 GLN C C 96 174.674 174.674 175.644 -0.970 18152 4670 1 7 . 1 1 96 96 GLN CA C 96 54.632 54.632 56.787 -2.155 18152 4671 1 7 . 1 1 96 96 GLN CB C 96 31.165 31.165 30.317 0.848 18152 4672 1 7 . 1 1 96 96 GLN H H 96 10.106 10.106 8.467 1.639 18152 4673 1 7 . 1 1 97 97 LYS N N 97 120.717 120.717 118.989 1.728 18152 4674 1 7 . 1 1 97 97 LYS HA H 97 4.658 4.658 4.621 0.037 18152 4675 1 7 . 1 1 97 97 LYS C C 97 173.200 173.200 174.378 -1.178 18152 4676 1 7 . 1 1 97 97 LYS CA C 97 56.528 56.528 55.606 0.922 18152 4677 1 7 . 1 1 97 97 LYS CB C 97 36.462 36.462 35.038 1.424 18152 4678 1 7 . 1 1 97 97 LYS H H 97 7.958 7.958 7.836 0.122 18152 4679 1 7 . 1 1 98 98 ILE N N 98 125.089 125.089 124.351 0.738 18152 4680 1 7 . 1 1 98 98 ILE HA H 98 5.221 5.221 4.800 0.421 18152 4681 1 7 . 1 1 98 98 ILE C C 98 175.821 175.821 175.599 0.222 18152 4682 1 7 . 1 1 98 98 ILE CA C 98 60.078 60.078 60.014 0.064 18152 4683 1 7 . 1 1 98 98 ILE CB C 98 42.082 42.082 40.135 1.947 18152 4684 1 7 . 1 1 98 98 ILE H H 98 8.458 8.458 8.558 -0.100 18152 4685 1 7 . 1 1 99 99 TRP N N 99 129.003 129.003 126.744 2.259 18152 4686 1 7 . 1 1 99 99 TRP HA H 99 4.661 4.661 4.911 -0.250 18152 4687 1 7 . 1 1 99 99 TRP C C 99 170.353 170.353 172.755 -2.402 18152 4688 1 7 . 1 1 99 99 TRP CA C 99 56.388 56.388 55.702 0.686 18152 4689 1 7 . 1 1 99 99 TRP CB C 99 31.158 31.158 30.383 0.775 18152 4690 1 7 . 1 1 99 99 TRP H H 99 9.291 9.291 8.215 1.076 18152 4691 1 7 . 1 1 100 100 ILE N N 100 117.739 117.739 120.174 -2.435 18152 4692 1 7 . 1 1 100 100 ILE HA H 100 4.616 4.616 4.704 -0.088 18152 4693 1 7 . 1 1 100 100 ILE C C 100 176.258 176.258 175.312 0.946 18152 4694 1 7 . 1 1 100 100 ILE CA C 100 58.973 58.973 60.169 -1.196 18152 4695 1 7 . 1 1 100 100 ILE CB C 100 40.734 40.734 41.002 -0.268 18152 4696 1 7 . 1 1 100 100 ILE H H 100 7.778 7.778 8.308 -0.530 18152 4697 1 7 . 1 1 101 101 THR N N 101 120.676 120.676 119.290 1.386 18152 4698 1 7 . 1 1 101 101 THR HA H 101 4.755 4.755 4.513 0.242 18152 4699 1 7 . 1 1 101 101 THR C C 101 172.069 172.069 172.527 -0.458 18152 4700 1 7 . 1 1 101 101 THR CA C 101 57.557 57.557 59.482 -1.925 18152 4701 1 7 . 1 1 101 101 THR CB C 101 70.656 70.656 70.530 0.126 18152 4702 1 7 . 1 1 101 101 THR H H 101 8.587 8.587 8.443 0.144 18152 4703 1 7 . 1 1 102 102 HIS N N 102 119.885 119.885 119.784 0.101 18152 4704 1 7 . 1 1 102 102 HIS HA H 102 5.401 5.401 4.630 0.771 18152 4705 1 7 . 1 1 102 102 HIS C C 102 176.781 176.781 176.293 0.488 18152 4706 1 7 . 1 1 102 102 HIS CA C 102 54.482 54.482 57.204 -2.722 18152 4707 1 7 . 1 1 102 102 HIS CB C 102 31.240 31.240 30.002 1.238 18152 4708 1 7 . 1 1 102 102 HIS H H 102 8.194 8.194 8.038 0.156 18152 4709 1 7 . 1 1 103 103 ALA N N 103 121.632 121.632 127.468 -5.836 18152 4710 1 7 . 1 1 103 103 ALA HA H 103 3.710 3.710 3.921 -0.211 18152 4711 1 7 . 1 1 103 103 ALA C C 103 177.587 177.587 177.718 -0.131 18152 4712 1 7 . 1 1 103 103 ALA CA C 103 54.899 54.899 54.789 0.110 18152 4713 1 7 . 1 1 103 103 ALA CB C 103 17.981 17.981 18.908 -0.927 18152 4714 1 7 . 1 1 103 103 ALA H H 103 8.405 8.405 8.819 -0.414 18152 4715 1 7 . 1 1 104 104 ASP N N 104 114.513 114.513 117.469 -2.956 18152 4716 1 7 . 1 1 104 104 ASP HA H 104 4.603 4.603 4.429 0.174 18152 4717 1 7 . 1 1 104 104 ASP C C 104 175.283 175.283 175.894 -0.611 18152 4718 1 7 . 1 1 104 104 ASP CA C 104 53.070 53.070 54.868 -1.798 18152 4719 1 7 . 1 1 104 104 ASP CB C 104 40.034 40.034 40.788 -0.754 18152 4720 1 7 . 1 1 104 104 ASP H H 104 8.314 8.314 8.198 0.116 18152 4721 1 7 . 1 1 105 105 ASP N N 105 119.184 119.184 119.647 -0.463 18152 4722 1 7 . 1 1 105 105 ASP HA H 105 4.170 4.170 4.491 -0.321 18152 4723 1 7 . 1 1 105 105 ASP C C 105 177.674 177.674 177.768 -0.094 18152 4724 1 7 . 1 1 105 105 ASP CA C 105 54.268 54.268 54.985 -0.717 18152 4725 1 7 . 1 1 105 105 ASP CB C 105 39.846 39.846 41.062 -1.216 18152 4726 1 7 . 1 1 105 105 ASP H H 105 7.043 7.043 7.618 -0.575 18152 4727 1 7 . 1 1 106 106 ARG N N 106 127.998 127.998 127.157 0.841 18152 4728 1 7 . 1 1 106 106 ARG HA H 106 4.368 4.368 4.083 0.285 18152 4729 1 7 . 1 1 106 106 ARG C C 106 177.709 177.709 177.785 -0.076 18152 4730 1 7 . 1 1 106 106 ARG CA C 106 55.888 55.888 58.665 -2.777 18152 4731 1 7 . 1 1 106 106 ARG CB C 106 29.264 29.264 29.914 -0.650 18152 4732 1 7 . 1 1 106 106 ARG H H 106 8.921 8.921 8.117 0.804 18152 4733 1 7 . 1 1 107 107 THR N N 107 111.880 111.880 111.695 0.185 18152 4734 1 7 . 1 1 107 107 THR HA H 107 4.139 4.139 4.072 0.067 18152 4735 1 7 . 1 1 107 107 THR C C 107 173.548 173.548 175.497 -1.949 18152 4736 1 7 . 1 1 107 107 THR CA C 107 62.350 62.350 64.911 -2.561 18152 4737 1 7 . 1 1 107 107 THR CB C 107 68.935 68.935 68.377 0.558 18152 4738 1 7 . 1 1 107 107 THR H H 107 8.857 8.857 8.236 0.621 18152 4739 1 7 . 1 1 108 108 VAL N N 108 118.971 118.971 117.392 1.579 18152 4740 1 7 . 1 1 108 108 VAL HA H 108 3.942 3.942 4.317 -0.375 18152 4741 1 7 . 1 1 108 108 VAL C C 108 176.853 176.853 175.778 1.075 18152 4742 1 7 . 1 1 108 108 VAL CA C 108 63.878 63.878 62.381 1.497 18152 4743 1 7 . 1 1 108 108 VAL CB C 108 32.470 32.470 32.178 0.292 18152 4744 1 7 . 1 1 108 108 VAL H H 108 6.811 6.811 7.536 -0.725 18152 4745 1 7 . 1 1 109 109 ILE N N 109 120.334 120.334 119.540 0.794 18152 4746 1 7 . 1 1 109 109 ILE HA H 109 3.438 3.438 4.277 -0.839 18152 4747 1 7 . 1 1 109 109 ILE C C 109 173.191 173.191 176.022 -2.831 18152 4748 1 7 . 1 1 109 109 ILE CA C 109 60.963 60.963 60.055 0.908 18152 4749 1 7 . 1 1 109 109 ILE CB C 109 33.933 33.933 36.491 -2.558 18152 4750 1 7 . 1 1 109 109 ILE H H 109 8.053 8.053 8.099 -0.046 18152 4751 1 7 . 1 1 110 110 ILE N N 110 118.981 118.981 118.123 0.858 18152 4752 1 7 . 1 1 110 110 ILE HA H 110 4.542 4.542 4.222 0.320 18152 4753 1 7 . 1 1 110 110 ILE C C 110 174.405 174.405 174.737 -0.332 18152 4754 1 7 . 1 1 110 110 ILE CA C 110 57.932 57.932 59.177 -1.245 18152 4755 1 7 . 1 1 110 110 ILE CB C 110 42.146 42.146 38.297 3.849 18152 4756 1 7 . 1 1 110 110 ILE H H 110 6.877 6.877 7.673 -0.796 18152 4757 1 7 . 1 1 111 111 LYS N N 111 123.307 123.307 119.899 3.408 18152 4758 1 7 . 1 1 111 111 LYS HA H 111 4.609 4.609 4.896 -0.287 18152 4759 1 7 . 1 1 111 111 LYS C C 111 176.528 176.528 176.105 0.423 18152 4760 1 7 . 1 1 111 111 LYS CA C 111 56.695 56.695 54.862 1.833 18152 4761 1 7 . 1 1 111 111 LYS CB C 111 33.092 33.092 34.466 -1.374 18152 4762 1 7 . 1 1 111 111 LYS H H 111 8.492 8.492 8.064 0.428 18152 4763 1 7 . 1 1 112 112 LYS N N 112 121.425 121.425 123.015 -1.590 18152 4764 1 7 . 1 1 112 112 LYS HA H 112 4.706 4.706 4.460 0.246 18152 4765 1 7 . 1 1 112 112 LYS C C 112 175.996 175.996 176.378 -0.382 18152 4766 1 7 . 1 1 112 112 LYS CA C 112 53.271 53.271 54.279 -1.008 18152 4767 1 7 . 1 1 112 112 LYS CB C 112 36.089 36.089 34.357 1.732 18152 4768 1 7 . 1 1 112 112 LYS H H 112 8.351 8.351 8.794 -0.443 18152 4769 1 7 . 1 1 113 113 GLU N N 113 119.533 119.533 120.993 -1.460 18152 4770 1 7 . 1 1 113 113 GLU HA H 113 4.372 4.372 4.313 0.059 18152 4771 1 7 . 1 1 113 113 GLU C C 113 174.477 174.477 175.725 -1.248 18152 4772 1 7 . 1 1 113 113 GLU CA C 113 55.175 55.175 56.263 -1.088 18152 4773 1 7 . 1 1 113 113 GLU CB C 113 29.097 29.097 30.292 -1.195 18152 4774 1 7 . 1 1 113 113 GLU H H 113 8.815 8.815 8.696 0.119 18152 4775 1 7 . 1 1 114 114 GLU N N 114 117.843 117.843 118.515 -0.672 18152 4776 1 7 . 1 1 114 114 GLU HA H 114 4.701 4.701 4.663 0.038 18152 4777 1 7 . 1 1 114 114 GLU C C 114 172.378 172.378 174.012 -1.634 18152 4778 1 7 . 1 1 114 114 GLU CA C 114 52.633 52.633 53.455 -0.822 18152 4779 1 7 . 1 1 114 114 GLU CB C 114 30.487 30.487 31.229 -0.742 18152 4780 1 7 . 1 1 114 114 GLU H H 114 7.426 7.426 7.762 -0.336 18152 4781 1 7 . 1 1 115 115 PRO HA H 115 4.725 4.725 4.721 0.004 18152 4782 1 7 . 1 1 115 115 PRO CA C 115 62.352 62.352 63.364 -1.012 18152 4783 1 7 . 1 1 115 115 PRO CB C 115 30.706 30.706 30.779 -0.073 18152 4784 1 7 . 1 1 116 116 ILE N N 116 130.464 130.464 123.061 7.403 18152 4785 1 7 . 1 1 116 116 ILE HA H 116 4.785 4.785 4.778 0.007 18152 4786 1 7 . 1 1 116 116 ILE C C 116 172.992 172.992 174.664 -1.672 18152 4787 1 7 . 1 1 116 116 ILE CA C 116 56.976 56.976 58.521 -1.545 18152 4788 1 7 . 1 1 116 116 ILE CB C 116 41.420 41.420 40.909 0.511 18152 4789 1 7 . 1 1 116 116 ILE H H 116 7.830 7.830 8.543 -0.713 18152 4790 1 7 . 1 1 117 117 LEU N N 117 128.504 128.504 129.670 -1.166 18152 4791 1 7 . 1 1 117 117 LEU HA H 117 5.307 5.307 5.152 0.155 18152 4792 1 7 . 1 1 117 117 LEU C C 117 174.488 174.488 175.156 -0.668 18152 4793 1 7 . 1 1 117 117 LEU CA C 117 52.062 52.062 53.170 -1.108 18152 4794 1 7 . 1 1 117 117 LEU CB C 117 45.447 45.447 44.495 0.952 18152 4795 1 7 . 1 1 117 117 LEU H H 117 8.838 8.838 9.195 -0.357 18152 4796 1 7 . 1 1 118 118 THR N N 118 125.436 125.436 123.523 1.913 18152 4797 1 7 . 1 1 118 118 THR HA H 118 5.417 5.417 5.050 0.367 18152 4798 1 7 . 1 1 118 118 THR C C 118 173.169 173.169 172.759 0.410 18152 4799 1 7 . 1 1 118 118 THR CA C 118 60.596 60.596 61.449 -0.853 18152 4800 1 7 . 1 1 118 118 THR CB C 118 68.558 68.558 69.684 -1.126 18152 4801 1 7 . 1 1 118 118 THR H H 118 8.938 8.938 9.276 -0.338 18152 4802 1 7 . 1 1 119 119 LEU N N 119 128.310 128.310 130.066 -1.756 18152 4803 1 7 . 1 1 119 119 LEU HA H 119 5.103 5.103 5.217 -0.114 18152 4804 1 7 . 1 1 119 119 LEU C C 119 174.404 174.404 174.419 -0.015 18152 4805 1 7 . 1 1 119 119 LEU CA C 119 52.439 52.439 53.214 -0.775 18152 4806 1 7 . 1 1 119 119 LEU CB C 119 44.373 44.373 45.015 -0.642 18152 4807 1 7 . 1 1 119 119 LEU H H 119 9.280 9.280 9.186 0.094 18152 4808 1 7 . 1 1 120 120 THR N N 120 117.635 117.635 120.965 -3.330 18152 4809 1 7 . 1 1 120 120 THR HA H 120 5.590 5.590 5.611 -0.021 18152 4810 1 7 . 1 1 120 120 THR C C 120 172.735 172.735 173.994 -1.259 18152 4811 1 7 . 1 1 120 120 THR CA C 120 57.360 57.360 59.673 -2.313 18152 4812 1 7 . 1 1 120 120 THR CB C 120 70.136 70.136 70.022 0.114 18152 4813 1 7 . 1 1 120 120 THR H H 120 8.640 8.640 9.253 -0.613 18152 4814 1 7 . 1 1 121 121 THR N N 121 116.149 116.149 121.269 -5.120 18152 4815 1 7 . 1 1 121 121 THR HA H 121 4.766 4.766 5.239 -0.473 18152 4816 1 7 . 1 1 121 121 THR C C 121 174.145 174.145 172.742 1.403 18152 4817 1 7 . 1 1 121 121 THR CA C 121 59.550 59.550 61.124 -1.574 18152 4818 1 7 . 1 1 121 121 THR CB C 121 71.701 71.701 71.588 0.113 18152 4819 1 7 . 1 1 121 121 THR H H 121 8.374 8.374 8.980 -0.606 18152 4820 1 7 . 1 1 123 123 TYR N N 123 121.847 121.847 123.680 -1.833 18152 4821 1 7 . 1 1 123 123 TYR H H 123 7.461 7.461 8.546 -1.085 18152 4822 1 7 . 1 1 125 125 PHE N N 125 120.754 120.754 115.738 5.016 18152 4823 1 7 . 1 1 125 125 PHE HA H 125 4.420 4.420 4.234 0.186 18152 4824 1 7 . 1 1 125 125 PHE C C 125 176.083 176.083 176.260 -0.177 18152 4825 1 7 . 1 1 125 125 PHE CA C 125 58.918 58.918 59.218 -0.300 18152 4826 1 7 . 1 1 125 125 PHE CB C 125 38.624 38.624 38.464 0.160 18152 4827 1 7 . 1 1 125 125 PHE H H 125 7.334 7.334 8.723 -1.389 18152 4828 1 7 . 1 1 126 126 ASP N N 126 114.938 114.938 119.508 -4.570 18152 4829 1 7 . 1 1 126 126 ASP HA H 126 4.548 4.548 3.888 0.660 18152 4830 1 7 . 1 1 126 126 ASP C C 126 175.285 175.285 175.369 -0.084 18152 4831 1 7 . 1 1 126 126 ASP CA C 126 51.974 51.974 55.135 -3.161 18152 4832 1 7 . 1 1 126 126 ASP CB C 126 39.454 39.454 40.281 -0.827 18152 4833 1 7 . 1 1 126 126 ASP H H 126 8.179 8.179 7.427 0.752 18152 4834 1 7 . 1 1 127 127 TYR N N 127 121.170 121.170 118.734 2.436 18152 4835 1 7 . 1 1 127 127 TYR HA H 127 3.947 3.947 4.410 -0.464 18152 4836 1 7 . 1 1 127 127 TYR C C 127 175.022 175.022 175.570 -0.548 18152 4837 1 7 . 1 1 127 127 TYR CA C 127 58.734 58.734 58.332 0.402 18152 4838 1 7 . 1 1 127 127 TYR CB C 127 39.330 39.330 39.069 0.261 18152 4839 1 7 . 1 1 127 127 TYR H H 127 7.196 7.196 7.887 -0.691 18152 4840 1 7 . 1 1 128 128 ILE N N 128 127.293 127.293 128.721 -1.428 18152 4841 1 7 . 1 1 128 128 ILE HA H 128 4.081 4.081 4.018 0.063 18152 4842 1 7 . 1 1 128 128 ILE C C 128 174.579 174.579 175.610 -1.031 18152 4843 1 7 . 1 1 128 128 ILE CA C 128 60.165 60.165 61.192 -1.027 18152 4844 1 7 . 1 1 128 128 ILE CB C 128 37.120 37.120 36.104 1.016 18152 4845 1 7 . 1 1 128 128 ILE H H 128 7.634 7.634 8.007 -0.373 18152 4846 1 7 . 1 1 129 129 GLY N N 129 114.862 114.862 116.331 -1.469 18152 4847 1 7 . 1 1 129 129 GLY C C 129 172.992 172.992 173.085 -0.093 18152 4848 1 7 . 1 1 129 129 GLY CA C 129 43.458 43.458 44.683 -1.225 18152 4849 1 7 . 1 1 129 129 GLY H H 129 8.150 8.150 8.104 0.046 18152 4850 1 7 . 1 1 130 130 ASP N N 130 122.165 122.165 122.842 -0.677 18152 4851 1 7 . 1 1 130 130 ASP HA H 130 4.639 4.639 4.598 0.041 18152 4852 1 7 . 1 1 130 130 ASP C C 130 174.579 174.579 174.791 -0.212 18152 4853 1 7 . 1 1 130 130 ASP CA C 130 53.344 53.344 52.468 0.876 18152 4854 1 7 . 1 1 130 130 ASP CB C 130 39.979 39.979 40.631 -0.652 18152 4855 1 7 . 1 1 130 130 ASP H H 130 8.541 8.541 8.578 -0.037 18152 4856 1 7 . 1 1 131 131 ALA N N 131 129.087 129.087 126.255 2.832 18152 4857 1 7 . 1 1 131 131 ALA HA H 131 3.673 3.673 2.841 0.832 18152 4858 1 7 . 1 1 131 131 ALA C C 131 176.791 176.791 176.924 -0.133 18152 4859 1 7 . 1 1 131 131 ALA CA C 131 50.186 50.186 50.490 -0.304 18152 4860 1 7 . 1 1 131 131 ALA CB C 131 17.692 17.692 17.874 -0.182 18152 4861 1 7 . 1 1 131 131 ALA H H 131 8.280 8.280 8.183 0.097 18152 4862 1 7 . 1 1 133 133 ASP N N 133 117.477 117.477 114.924 2.553 18152 4863 1 7 . 1 1 133 133 ASP HA H 133 5.512 5.512 4.736 0.776 18152 4864 1 7 . 1 1 133 133 ASP C C 133 175.988 175.988 174.499 1.489 18152 4865 1 7 . 1 1 133 133 ASP CA C 133 53.067 53.067 53.262 -0.195 18152 4866 1 7 . 1 1 133 133 ASP CB C 133 45.102 45.102 43.064 2.038 18152 4867 1 7 . 1 1 133 133 ASP H H 133 7.355 7.355 7.854 -0.499 18152 4868 1 7 . 1 1 134 134 ARG N N 134 120.986 120.986 123.385 -2.399 18152 4869 1 7 . 1 1 134 134 ARG HA H 134 4.871 4.871 4.539 0.332 18152 4870 1 7 . 1 1 134 134 ARG C C 134 172.288 172.288 175.367 -3.079 18152 4871 1 7 . 1 1 134 134 ARG CA C 134 53.958 53.958 54.886 -0.929 18152 4872 1 7 . 1 1 134 134 ARG CB C 134 33.787 33.787 32.367 1.419 18152 4873 1 7 . 1 1 134 134 ARG H H 134 9.308 9.308 8.396 0.912 18152 4874 1 7 . 1 1 135 135 TYR N N 135 127.342 127.342 124.066 3.276 18152 4875 1 7 . 1 1 135 135 TYR HA H 135 4.037 4.037 4.315 -0.278 18152 4876 1 7 . 1 1 135 135 TYR C C 135 173.811 173.811 174.455 -0.644 18152 4877 1 7 . 1 1 135 135 TYR CA C 135 57.419 57.419 59.160 -1.741 18152 4878 1 7 . 1 1 135 135 TYR CB C 135 40.515 40.515 39.694 0.821 18152 4879 1 7 . 1 1 135 135 TYR H H 135 8.867 8.867 9.158 -0.291 18152 4880 1 7 . 1 1 136 136 ILE N N 136 128.458 128.458 127.459 0.999 18152 4881 1 7 . 1 1 136 136 ILE HA H 136 4.133 4.133 4.286 -0.153 18152 4882 1 7 . 1 1 136 136 ILE C C 136 173.610 173.610 174.095 -0.485 18152 4883 1 7 . 1 1 136 136 ILE CA C 136 58.968 58.968 58.768 0.200 18152 4884 1 7 . 1 1 136 136 ILE CB C 136 40.998 40.998 37.088 3.910 18152 4885 1 7 . 1 1 136 136 ILE H H 136 8.569 8.569 8.474 0.095 18152 4886 1 7 . 1 1 137 137 ILE N N 137 123.623 123.623 128.771 -5.148 18152 4887 1 7 . 1 1 137 137 ILE HA H 137 4.330 4.330 4.151 0.179 18152 4888 1 7 . 1 1 137 137 ILE C C 137 173.524 173.524 174.170 -0.646 18152 4889 1 7 . 1 1 137 137 ILE CA C 137 59.873 59.873 58.610 1.263 18152 4890 1 7 . 1 1 137 137 ILE CB C 137 40.767 40.767 36.911 3.856 18152 4891 1 7 . 1 1 137 137 ILE H H 137 8.263 8.263 9.112 -0.849 18152 4892 1 7 . 1 1 138 138 GLU N N 138 127.009 127.009 129.220 -2.211 18152 4893 1 7 . 1 1 138 138 GLU HA H 138 5.219 5.219 4.693 0.526 18152 4894 1 7 . 1 1 138 138 GLU C C 138 175.383 175.383 174.787 0.596 18152 4895 1 7 . 1 1 138 138 GLU CA C 138 54.895 54.895 54.618 0.277 18152 4896 1 7 . 1 1 138 138 GLU CB C 138 33.904 33.904 32.717 1.187 18152 4897 1 7 . 1 1 138 138 GLU H H 138 9.166 9.166 8.033 1.133 18152 4898 1 7 . 1 1 139 139 ALA N N 139 132.785 132.785 127.142 5.643 18152 4899 1 7 . 1 1 139 139 ALA HA H 139 5.231 5.231 5.328 -0.097 18152 4900 1 7 . 1 1 139 139 ALA C C 139 173.789 173.789 175.178 -1.389 18152 4901 1 7 . 1 1 139 139 ALA CA C 139 50.197 50.197 51.023 -0.826 18152 4902 1 7 . 1 1 139 139 ALA CB C 139 24.262 24.262 23.213 1.048 18152 4903 1 7 . 1 1 139 139 ALA H H 139 10.313 10.313 8.692 1.621 18152 4904 1 7 . 1 1 140 140 LYS N N 140 120.672 120.672 121.450 -0.778 18152 4905 1 7 . 1 1 140 140 LYS HA H 140 5.062 5.062 5.095 -0.033 18152 4906 1 7 . 1 1 140 140 LYS C C 140 175.807 175.807 174.903 0.904 18152 4907 1 7 . 1 1 140 140 LYS CA C 140 54.250 54.250 54.211 0.039 18152 4908 1 7 . 1 1 140 140 LYS CB C 140 34.937 34.937 36.685 -1.748 18152 4909 1 7 . 1 1 140 140 LYS H H 140 8.507 8.507 8.711 -0.204 18152 4910 1 7 . 1 1 141 141 LEU N N 141 126.557 126.557 124.366 2.191 18152 4911 1 7 . 1 1 141 141 LEU HA H 141 4.107 4.107 3.899 0.208 18152 4912 1 7 . 1 1 141 141 LEU C C 141 177.236 177.236 176.059 1.177 18152 4913 1 7 . 1 1 141 141 LEU CA C 141 56.169 56.169 54.232 1.937 18152 4914 1 7 . 1 1 141 141 LEU CB C 141 42.408 42.408 41.202 1.206 18152 4915 1 7 . 1 1 141 141 LEU H H 141 7.560 7.560 8.273 -0.713 18152 4916 1 7 . 1 1 142 142 THR N N 142 119.454 119.454 121.275 -1.821 18152 4917 1 7 . 1 1 142 142 THR HA H 142 4.522 4.522 4.457 0.065 18152 4918 1 7 . 1 1 142 142 THR C C 142 175.187 175.187 174.868 0.319 18152 4919 1 7 . 1 1 142 142 THR CA C 142 60.915 60.915 61.930 -1.015 18152 4920 1 7 . 1 1 142 142 THR CB C 142 69.490 69.490 70.254 -0.764 18152 4921 1 7 . 1 1 142 142 THR H H 142 9.562 9.562 8.813 0.749 18152 4922 1 7 . 1 1 143 143 GLY N N 143 109.946 109.946 109.451 0.495 18152 4923 1 7 . 1 1 143 143 GLY C C 143 170.713 170.713 172.484 -1.771 18152 4924 1 7 . 1 1 143 143 GLY CA C 143 45.254 45.254 43.856 1.398 18152 4925 1 7 . 1 1 143 143 GLY H H 143 7.513 7.513 7.832 -0.319 18152 4926 1 7 . 1 1 144 144 SER N N 144 112.778 112.778 115.613 -2.835 18152 4927 1 7 . 1 1 144 144 SER HA H 144 5.059 5.059 4.945 0.114 18152 4928 1 7 . 1 1 144 144 SER C C 144 173.178 173.178 172.046 1.132 18152 4929 1 7 . 1 1 144 144 SER CA C 144 56.393 56.393 56.896 -0.503 18152 4930 1 7 . 1 1 144 144 SER CB C 144 65.587 65.587 66.005 -0.418 18152 4931 1 7 . 1 1 144 144 SER H H 144 7.877 7.877 7.643 0.234 18152 4932 1 7 . 1 1 145 145 TYR N N 145 119.351 119.351 119.453 -0.102 18152 4933 1 7 . 1 1 145 145 TYR HA H 145 4.755 4.755 4.670 0.085 18152 4934 1 7 . 1 1 145 145 TYR C C 145 174.580 174.580 174.075 0.505 18152 4935 1 7 . 1 1 145 145 TYR CA C 145 56.413 56.413 57.273 -0.860 18152 4936 1 7 . 1 1 145 145 TYR CB C 145 40.096 40.096 42.488 -2.392 18152 4937 1 7 . 1 1 145 145 TYR H H 145 8.374 8.374 9.027 -0.653 18152 4938 1 7 . 1 1 146 146 SER N N 146 117.533 117.533 119.073 -1.540 18152 4939 1 7 . 1 1 146 146 SER HA H 146 4.564 4.564 4.703 -0.139 18152 4940 1 7 . 1 1 146 146 SER CA C 146 58.000 58.000 57.002 0.998 18152 4941 1 7 . 1 1 146 146 SER CB C 146 63.905 63.905 64.080 -0.175 18152 4942 1 7 . 1 1 146 146 SER H H 146 8.502 8.502 8.654 -0.152 18152 4943 1 8 . 1 1 7 7 GLN N N 7 122.485 122.485 119.940 2.545 18152 4944 1 8 . 1 1 7 7 GLN CA C 7 55.218 55.218 56.134 -0.916 18152 4945 1 8 . 1 1 7 7 GLN CB C 7 28.842 28.842 29.523 -0.681 18152 4946 1 8 . 1 1 7 7 GLN H H 7 8.175 8.175 8.592 -0.417 18152 4947 1 8 . 1 1 8 8 THR N N 8 115.244 115.244 118.618 -3.374 18152 4948 1 8 . 1 1 8 8 THR HA H 8 4.189 4.189 4.529 -0.340 18152 4949 1 8 . 1 1 8 8 THR C C 8 173.961 173.961 174.130 -0.169 18152 4950 1 8 . 1 1 8 8 THR CA C 8 61.486 61.486 61.657 -0.171 18152 4951 1 8 . 1 1 8 8 THR CB C 8 69.316 69.316 69.545 -0.229 18152 4952 1 8 . 1 1 8 8 THR H H 8 8.027 8.027 8.263 -0.236 18152 4953 1 8 . 1 1 9 9 GLU N N 9 123.496 123.496 120.810 2.686 18152 4954 1 8 . 1 1 9 9 GLU HA H 9 4.060 4.060 4.475 -0.415 18152 4955 1 8 . 1 1 9 9 GLU C C 9 175.555 175.555 174.929 0.626 18152 4956 1 8 . 1 1 9 9 GLU CA C 9 55.868 55.868 56.974 -1.106 18152 4957 1 8 . 1 1 9 9 GLU CB C 9 29.611 29.611 30.519 -0.908 18152 4958 1 8 . 1 1 9 9 GLU H H 9 8.225 8.225 8.231 -0.006 18152 4959 1 8 . 1 1 10 10 HIS N N 10 119.084 119.084 117.876 1.208 18152 4960 1 8 . 1 1 10 10 HIS HA H 10 4.384 4.384 3.917 0.467 18152 4961 1 8 . 1 1 10 10 HIS C C 10 173.742 173.742 173.358 0.384 18152 4962 1 8 . 1 1 10 10 HIS CA C 10 53.932 53.932 56.340 -2.408 18152 4963 1 8 . 1 1 10 10 HIS CB C 10 28.922 28.922 29.715 -0.793 18152 4964 1 8 . 1 1 10 10 HIS H H 10 7.357 7.357 8.504 -1.147 18152 4965 1 8 . 1 1 11 11 LYS N N 11 121.509 121.509 120.396 1.113 18152 4966 1 8 . 1 1 11 11 LYS HA H 11 4.469 4.469 4.388 0.081 18152 4967 1 8 . 1 1 11 11 LYS C C 11 176.210 176.210 176.277 -0.067 18152 4968 1 8 . 1 1 11 11 LYS CA C 11 54.245 54.245 56.623 -2.378 18152 4969 1 8 . 1 1 11 11 LYS CB C 11 33.548 33.548 33.061 0.487 18152 4970 1 8 . 1 1 11 11 LYS H H 11 8.409 8.409 7.983 0.426 18152 4971 1 8 . 1 1 12 12 GLU N N 12 123.025 123.025 124.558 -1.533 18152 4972 1 8 . 1 1 12 12 GLU HA H 12 4.240 4.240 4.250 -0.010 18152 4973 1 8 . 1 1 12 12 GLU C C 12 178.023 178.023 177.092 0.931 18152 4974 1 8 . 1 1 12 12 GLU CA C 12 58.350 58.350 57.973 0.377 18152 4975 1 8 . 1 1 12 12 GLU CB C 12 29.254 29.254 29.723 -0.469 18152 4976 1 8 . 1 1 12 12 GLU H H 12 8.929 8.929 8.838 0.091 18152 4977 1 8 . 1 1 13 13 GLY N N 13 113.216 113.216 114.977 -1.761 18152 4978 1 8 . 1 1 13 13 GLY C C 13 174.141 174.141 173.779 0.362 18152 4979 1 8 . 1 1 13 13 GLY CA C 13 45.243 45.243 45.324 -0.081 18152 4980 1 8 . 1 1 13 13 GLY H H 13 9.714 9.714 9.520 0.194 18152 4981 1 8 . 1 1 14 14 GLU N N 14 120.782 120.782 119.151 1.631 18152 4982 1 8 . 1 1 14 14 GLU HA H 14 4.472 4.472 4.901 -0.429 18152 4983 1 8 . 1 1 14 14 GLU C C 14 176.436 176.436 175.885 0.551 18152 4984 1 8 . 1 1 14 14 GLU CA C 14 55.641 55.641 54.166 1.475 18152 4985 1 8 . 1 1 14 14 GLU CB C 14 30.989 30.989 33.687 -2.697 18152 4986 1 8 . 1 1 14 14 GLU H H 14 8.289 8.289 7.882 0.407 18152 4987 1 8 . 1 1 15 15 LYS N N 15 125.126 125.126 124.817 0.309 18152 4988 1 8 . 1 1 15 15 LYS HA H 15 4.100 4.100 3.801 0.299 18152 4989 1 8 . 1 1 15 15 LYS C C 15 176.970 176.970 176.804 0.166 18152 4990 1 8 . 1 1 15 15 LYS CA C 15 57.098 57.098 57.751 -0.653 18152 4991 1 8 . 1 1 15 15 LYS CB C 15 31.680 31.680 32.035 -0.355 18152 4992 1 8 . 1 1 15 15 LYS H H 15 8.978 8.978 8.994 -0.016 18152 4993 1 8 . 1 1 16 16 VAL N N 16 119.214 119.214 121.830 -2.616 18152 4994 1 8 . 1 1 16 16 VAL HA H 16 4.572 4.572 4.253 0.319 18152 4995 1 8 . 1 1 16 16 VAL C C 16 174.148 174.148 174.849 -0.701 18152 4996 1 8 . 1 1 16 16 VAL CA C 16 60.141 60.141 61.930 -1.789 18152 4997 1 8 . 1 1 16 16 VAL CB C 16 34.881 34.881 33.482 1.399 18152 4998 1 8 . 1 1 16 16 VAL H H 16 8.976 8.976 8.366 0.610 18152 4999 1 8 . 1 1 17 17 ALA N N 17 121.368 121.368 121.252 0.116 18152 5000 1 8 . 1 1 17 17 ALA HA H 17 5.186 5.186 4.609 0.577 18152 5001 1 8 . 1 1 17 17 ALA C C 17 174.664 174.664 175.117 -0.453 18152 5002 1 8 . 1 1 17 17 ALA CA C 17 51.098 51.098 50.100 0.998 18152 5003 1 8 . 1 1 17 17 ALA CB C 17 22.853 22.853 22.275 0.578 18152 5004 1 8 . 1 1 17 17 ALA H H 17 8.069 8.069 7.479 0.590 18152 5005 1 8 . 1 1 18 18 MET N N 18 116.475 116.475 118.605 -2.130 18152 5006 1 8 . 1 1 18 18 MET HA H 18 5.303 5.303 4.951 0.352 18152 5007 1 8 . 1 1 18 18 MET C C 18 174.413 174.413 174.032 0.381 18152 5008 1 8 . 1 1 18 18 MET CA C 18 53.607 53.607 54.650 -1.042 18152 5009 1 8 . 1 1 18 18 MET CB C 18 35.038 35.038 37.763 -2.725 18152 5010 1 8 . 1 1 18 18 MET H H 18 8.142 8.142 8.172 -0.030 18152 5011 1 8 . 1 1 19 19 LEU N N 19 126.244 126.244 125.695 0.549 18152 5012 1 8 . 1 1 19 19 LEU HA H 19 5.268 5.268 5.210 0.058 18152 5013 1 8 . 1 1 19 19 LEU C C 19 173.617 173.617 174.322 -0.705 18152 5014 1 8 . 1 1 19 19 LEU CA C 19 52.851 52.851 53.660 -0.809 18152 5015 1 8 . 1 1 19 19 LEU CB C 19 44.705 44.705 45.302 -0.597 18152 5016 1 8 . 1 1 19 19 LEU H H 19 9.369 9.369 9.423 -0.054 18152 5017 1 8 . 1 1 20 20 ASN N N 20 126.596 126.596 125.553 1.043 18152 5018 1 8 . 1 1 20 20 ASN HA H 20 5.340 5.340 5.358 -0.018 18152 5019 1 8 . 1 1 20 20 ASN C C 20 174.316 174.316 173.728 0.588 18152 5020 1 8 . 1 1 20 20 ASN CA C 20 51.344 51.344 51.958 -0.614 18152 5021 1 8 . 1 1 20 20 ASN CB C 20 40.972 40.972 41.760 -0.788 18152 5022 1 8 . 1 1 20 20 ASN H H 20 10.032 10.032 9.258 0.774 18152 5023 1 8 . 1 1 21 21 ILE N N 21 123.799 123.799 125.612 -1.813 18152 5024 1 8 . 1 1 21 21 ILE HA H 21 4.829 4.829 4.911 -0.082 18152 5025 1 8 . 1 1 21 21 ILE C C 21 174.409 174.409 174.704 -0.295 18152 5026 1 8 . 1 1 21 21 ILE CA C 21 58.243 58.243 58.028 0.215 18152 5027 1 8 . 1 1 21 21 ILE CB C 21 37.477 37.477 39.545 -2.068 18152 5028 1 8 . 1 1 21 21 ILE H H 21 8.614 8.614 8.944 -0.330 18152 5029 1 8 . 1 1 22 22 PRO HA H 22 4.178 4.178 4.434 -0.256 18152 5030 1 8 . 1 1 22 22 PRO CA C 22 65.629 65.629 65.232 0.397 18152 5031 1 8 . 1 1 22 22 PRO CB C 22 31.806 31.806 32.159 -0.353 18152 5032 1 8 . 1 1 23 23 LYS N N 23 118.170 118.170 119.388 -1.218 18152 5033 1 8 . 1 1 23 23 LYS HA H 23 3.943 3.943 4.128 -0.185 18152 5034 1 8 . 1 1 23 23 LYS C C 23 177.231 177.231 177.678 -0.447 18152 5035 1 8 . 1 1 23 23 LYS CA C 23 58.643 58.643 58.509 0.134 18152 5036 1 8 . 1 1 23 23 LYS CB C 23 33.171 33.171 32.366 0.805 18152 5037 1 8 . 1 1 23 23 LYS H H 23 9.365 9.365 8.291 1.074 18152 5038 1 8 . 1 1 24 24 LEU N N 24 111.984 111.984 118.162 -6.178 18152 5039 1 8 . 1 1 24 24 LEU HA H 24 4.319 4.319 4.448 -0.129 18152 5040 1 8 . 1 1 24 24 LEU C C 24 175.562 175.562 176.271 -0.709 18152 5041 1 8 . 1 1 24 24 LEU CA C 24 52.965 52.965 54.546 -1.581 18152 5042 1 8 . 1 1 24 24 LEU CB C 24 42.473 42.473 41.686 0.787 18152 5043 1 8 . 1 1 24 24 LEU H H 24 6.919 6.919 8.004 -1.085 18152 5044 1 8 . 1 1 25 25 LYS N N 25 115.814 115.814 117.253 -1.439 18152 5045 1 8 . 1 1 25 25 LYS HA H 25 3.849 3.849 4.111 -0.262 18152 5046 1 8 . 1 1 25 25 LYS C C 25 175.297 175.297 175.418 -0.121 18152 5047 1 8 . 1 1 25 25 LYS CA C 25 56.598 56.598 57.165 -0.567 18152 5048 1 8 . 1 1 25 25 LYS CB C 25 28.918 28.918 29.388 -0.470 18152 5049 1 8 . 1 1 25 25 LYS H H 25 7.912 7.912 7.712 0.200 18152 5050 1 8 . 1 1 26 26 LYS N N 26 115.145 115.145 118.472 -3.327 18152 5051 1 8 . 1 1 26 26 LYS HA H 26 4.559 4.559 4.475 0.084 18152 5052 1 8 . 1 1 26 26 LYS C C 26 173.961 173.961 173.625 0.336 18152 5053 1 8 . 1 1 26 26 LYS CA C 26 53.788 53.788 55.113 -1.325 18152 5054 1 8 . 1 1 26 26 LYS CB C 26 37.483 37.483 35.945 1.538 18152 5055 1 8 . 1 1 26 26 LYS H H 26 6.765 6.765 8.658 -1.893 18152 5056 1 8 . 1 1 27 27 LYS N N 27 119.758 119.758 118.659 1.099 18152 5057 1 8 . 1 1 27 27 LYS HA H 27 5.452 5.452 5.149 0.303 18152 5058 1 8 . 1 1 27 27 LYS C C 27 175.482 175.482 174.797 0.685 18152 5059 1 8 . 1 1 27 27 LYS CA C 27 53.883 53.883 55.181 -1.298 18152 5060 1 8 . 1 1 27 27 LYS CB C 27 35.855 35.855 36.347 -0.492 18152 5061 1 8 . 1 1 27 27 LYS H H 27 7.885 7.885 7.745 0.140 18152 5062 1 8 . 1 1 28 28 PHE N N 28 119.077 119.077 119.967 -0.890 18152 5063 1 8 . 1 1 28 28 PHE HA H 28 4.871 4.871 4.873 -0.002 18152 5064 1 8 . 1 1 28 28 PHE C C 28 175.477 175.477 174.796 0.681 18152 5065 1 8 . 1 1 28 28 PHE CA C 28 56.100 56.100 56.973 -0.873 18152 5066 1 8 . 1 1 28 28 PHE CB C 28 42.734 42.734 43.897 -1.163 18152 5067 1 8 . 1 1 28 28 PHE H H 28 9.397 9.397 9.526 -0.129 18152 5068 1 8 . 1 1 29 29 SER N N 29 121.189 121.189 118.645 2.544 18152 5069 1 8 . 1 1 29 29 SER HA H 29 4.848 4.848 4.610 0.238 18152 5070 1 8 . 1 1 29 29 SER C C 29 172.010 172.010 173.374 -1.364 18152 5071 1 8 . 1 1 29 29 SER CA C 29 59.961 59.961 58.133 1.828 18152 5072 1 8 . 1 1 29 29 SER CB C 29 64.433 64.433 63.765 0.668 18152 5073 1 8 . 1 1 29 29 SER H H 29 9.010 9.010 8.844 0.166 18152 5074 1 8 . 1 1 30 30 ILE N N 30 120.881 120.881 126.593 -5.712 18152 5075 1 8 . 1 1 30 30 ILE HA H 30 4.942 4.942 4.106 0.836 18152 5076 1 8 . 1 1 30 30 ILE C C 30 174.874 174.874 174.921 -0.047 18152 5077 1 8 . 1 1 30 30 ILE CA C 30 57.775 57.775 59.326 -1.551 18152 5078 1 8 . 1 1 30 30 ILE CB C 30 38.001 38.001 36.824 1.177 18152 5079 1 8 . 1 1 30 30 ILE H H 30 8.084 8.084 8.488 -0.404 18152 5080 1 8 . 1 1 31 31 TYR N N 31 127.573 127.573 127.293 0.280 18152 5081 1 8 . 1 1 31 31 TYR HA H 31 5.299 5.299 4.913 0.386 18152 5082 1 8 . 1 1 31 31 TYR C C 31 174.806 174.806 175.754 -0.948 18152 5083 1 8 . 1 1 31 31 TYR CA C 31 56.120 56.120 56.688 -0.568 18152 5084 1 8 . 1 1 31 31 TYR CB C 31 41.139 41.139 40.453 0.686 18152 5085 1 8 . 1 1 31 31 TYR H H 31 9.174 9.174 8.423 0.751 18152 5086 1 8 . 1 1 32 32 TRP N N 32 121.993 121.993 125.498 -3.505 18152 5087 1 8 . 1 1 32 32 TRP HA H 32 4.583 4.583 4.458 0.125 18152 5088 1 8 . 1 1 32 32 TRP C C 32 175.194 175.194 175.827 -0.633 18152 5089 1 8 . 1 1 32 32 TRP CA C 32 57.396 57.396 59.476 -2.080 18152 5090 1 8 . 1 1 32 32 TRP CB C 32 29.670 29.670 30.434 -0.764 18152 5091 1 8 . 1 1 32 32 TRP H H 32 9.007 9.007 9.352 -0.345 18152 5092 1 8 . 1 1 33 33 GLY N N 33 120.470 120.470 113.538 6.932 18152 5093 1 8 . 1 1 33 33 GLY C C 33 171.936 171.936 171.727 0.209 18152 5094 1 8 . 1 1 33 33 GLY CA C 33 44.532 44.532 44.173 0.359 18152 5095 1 8 . 1 1 33 33 GLY H H 33 7.758 7.758 7.901 -0.143 18152 5096 1 8 . 1 1 34 34 ALA N N 34 120.239 120.239 124.361 -4.122 18152 5097 1 8 . 1 1 34 34 ALA HA H 34 4.447 4.447 4.548 -0.101 18152 5098 1 8 . 1 1 34 34 ALA C C 34 176.174 176.174 176.442 -0.268 18152 5099 1 8 . 1 1 34 34 ALA CA C 34 49.913 49.913 50.766 -0.853 18152 5100 1 8 . 1 1 34 34 ALA CB C 34 18.955 18.955 20.010 -1.055 18152 5101 1 8 . 1 1 34 34 ALA H H 34 7.883 7.883 8.240 -0.357 18152 5102 1 8 . 1 1 35 35 ASP N N 35 118.828 118.828 126.014 -7.186 18152 5103 1 8 . 1 1 35 35 ASP HA H 35 4.450 4.450 4.680 -0.230 18152 5104 1 8 . 1 1 35 35 ASP C C 35 175.990 175.990 176.067 -0.077 18152 5105 1 8 . 1 1 35 35 ASP CA C 35 53.030 53.030 53.472 -0.442 18152 5106 1 8 . 1 1 35 35 ASP CB C 35 41.508 41.508 41.270 0.238 18152 5107 1 8 . 1 1 35 35 ASP H H 35 7.944 7.944 8.387 -0.443 18152 5108 1 8 . 1 1 36 36 ASP N N 36 121.051 121.051 122.445 -1.394 18152 5109 1 8 . 1 1 36 36 ASP HA H 36 4.335 4.335 4.395 -0.060 18152 5110 1 8 . 1 1 36 36 ASP C C 36 177.296 177.296 176.755 0.541 18152 5111 1 8 . 1 1 36 36 ASP CA C 36 55.183 55.183 54.130 1.053 18152 5112 1 8 . 1 1 36 36 ASP CB C 36 39.837 39.837 40.523 -0.686 18152 5113 1 8 . 1 1 36 36 ASP H H 36 8.509 8.509 8.239 0.270 18152 5114 1 8 . 1 1 37 37 ALA N N 37 119.568 119.568 122.556 -2.988 18152 5115 1 8 . 1 1 37 37 ALA HA H 37 4.060 4.060 4.175 -0.115 18152 5116 1 8 . 1 1 37 37 ALA C C 37 179.598 179.598 178.369 1.229 18152 5117 1 8 . 1 1 37 37 ALA CA C 37 53.967 53.967 53.635 0.333 18152 5118 1 8 . 1 1 37 37 ALA CB C 37 18.009 18.009 18.630 -0.621 18152 5119 1 8 . 1 1 37 37 ALA H H 37 8.169 8.169 7.950 0.219 18152 5120 1 8 . 1 1 38 38 THR HA H 38 3.850 3.850 4.281 -0.431 18152 5121 1 8 . 1 1 38 38 THR CA C 38 68.437 68.437 61.182 7.255 18152 5122 1 8 . 1 1 38 38 THR CB C 38 72.916 72.916 70.192 2.724 18152 5123 1 8 . 1 1 38 38 THR H H 38 7.621 7.621 7.601 0.020 18152 5124 1 8 . 1 1 42 42 GLY N N 42 106.310 106.310 110.542 -4.232 18152 5125 1 8 . 1 1 42 42 GLY CA C 42 46.480 46.480 45.451 1.029 18152 5126 1 8 . 1 1 43 43 VAL N N 43 121.961 121.961 120.860 1.101 18152 5127 1 8 . 1 1 43 43 VAL HA H 43 4.481 4.481 4.641 -0.160 18152 5128 1 8 . 1 1 43 43 VAL C C 43 174.308 174.308 173.623 0.685 18152 5129 1 8 . 1 1 43 43 VAL CA C 43 61.079 61.079 61.577 -0.498 18152 5130 1 8 . 1 1 43 43 VAL CB C 43 32.911 32.911 33.011 -0.100 18152 5131 1 8 . 1 1 43 43 VAL H H 43 8.247 8.247 7.905 0.342 18152 5132 1 8 . 1 1 44 44 GLY N N 44 114.325 114.325 114.183 0.142 18152 5133 1 8 . 1 1 44 44 GLY C C 44 172.465 172.465 171.711 0.754 18152 5134 1 8 . 1 1 44 44 GLY CA C 44 43.458 43.458 43.873 -0.415 18152 5135 1 8 . 1 1 44 44 GLY H H 44 9.063 9.063 8.262 0.801 18152 5136 1 8 . 1 1 45 45 MET N N 45 125.031 125.031 120.689 4.342 18152 5137 1 8 . 1 1 45 45 MET HA H 45 4.742 4.742 5.508 -0.766 18152 5138 1 8 . 1 1 45 45 MET C C 45 173.873 173.873 174.918 -1.045 18152 5139 1 8 . 1 1 45 45 MET CA C 45 54.084 54.084 51.640 2.444 18152 5140 1 8 . 1 1 45 45 MET CB C 45 34.548 34.548 35.097 -0.549 18152 5141 1 8 . 1 1 45 45 MET H H 45 8.966 8.966 8.937 0.029 18152 5142 1 8 . 1 1 46 46 PHE N N 46 127.637 127.637 127.775 -0.138 18152 5143 1 8 . 1 1 46 46 PHE HA H 46 3.611 3.611 4.221 -0.610 18152 5144 1 8 . 1 1 46 46 PHE C C 46 175.023 175.023 173.908 1.115 18152 5145 1 8 . 1 1 46 46 PHE CA C 46 59.286 59.286 59.132 0.154 18152 5146 1 8 . 1 1 46 46 PHE CB C 46 40.644 40.644 39.967 0.677 18152 5147 1 8 . 1 1 46 46 PHE H H 46 8.790 8.790 8.380 0.410 18152 5148 1 8 . 1 1 47 47 VAL N N 47 130.695 130.695 126.487 4.208 18152 5149 1 8 . 1 1 47 47 VAL HA H 47 3.663 3.663 3.824 -0.161 18152 5150 1 8 . 1 1 47 47 VAL C C 47 174.235 174.235 174.385 -0.150 18152 5151 1 8 . 1 1 47 47 VAL CA C 47 61.455 61.455 61.438 0.018 18152 5152 1 8 . 1 1 47 47 VAL CB C 47 32.002 32.002 32.700 -0.699 18152 5153 1 8 . 1 1 47 47 VAL H H 47 7.942 7.942 7.290 0.652 18152 5154 1 8 . 1 1 48 48 SER N N 48 120.391 120.391 123.637 -3.246 18152 5155 1 8 . 1 1 48 48 SER HA H 48 4.626 4.626 4.532 0.094 18152 5156 1 8 . 1 1 48 48 SER C C 48 173.167 173.167 173.979 -0.812 18152 5157 1 8 . 1 1 48 48 SER CA C 48 57.384 57.384 57.506 -0.122 18152 5158 1 8 . 1 1 48 48 SER CB C 48 65.720 65.720 65.278 0.441 18152 5159 1 8 . 1 1 48 48 SER H H 48 7.971 7.971 8.362 -0.391 18152 5160 1 8 . 1 1 49 49 ASP N N 49 117.498 117.498 119.734 -2.236 18152 5161 1 8 . 1 1 49 49 ASP HA H 49 4.603 4.603 4.678 -0.075 18152 5162 1 8 . 1 1 49 49 ASP C C 49 174.539 174.539 176.288 -1.749 18152 5163 1 8 . 1 1 49 49 ASP CA C 49 55.222 55.222 55.459 -0.237 18152 5164 1 8 . 1 1 49 49 ASP CB C 49 40.206 40.206 40.734 -0.528 18152 5165 1 8 . 1 1 49 49 ASP H H 49 8.701 8.701 8.740 -0.039 18152 5166 1 8 . 1 1 50 50 VAL N N 50 109.465 109.465 112.312 -2.847 18152 5167 1 8 . 1 1 50 50 VAL HA H 50 4.455 4.455 4.564 -0.109 18152 5168 1 8 . 1 1 50 50 VAL C C 50 174.487 174.487 176.052 -1.565 18152 5169 1 8 . 1 1 50 50 VAL CA C 50 60.840 60.840 62.404 -1.564 18152 5170 1 8 . 1 1 50 50 VAL CB C 50 32.067 32.067 33.060 -0.993 18152 5171 1 8 . 1 1 50 50 VAL H H 50 7.770 7.770 7.434 0.336 18152 5172 1 8 . 1 1 51 51 THR N N 51 110.572 110.572 115.086 -4.514 18152 5173 1 8 . 1 1 51 51 THR HA H 51 5.293 5.293 4.645 0.648 18152 5174 1 8 . 1 1 51 51 THR C C 51 174.591 174.591 174.950 -0.359 18152 5175 1 8 . 1 1 51 51 THR CA C 51 58.487 58.487 61.663 -3.176 18152 5176 1 8 . 1 1 51 51 THR CB C 51 71.674 71.674 70.154 1.520 18152 5177 1 8 . 1 1 51 51 THR H H 51 7.095 7.095 7.989 -0.894 18152 5178 1 8 . 1 1 52 52 THR N N 52 109.706 109.706 115.435 -5.729 18152 5179 1 8 . 1 1 52 52 THR HA H 52 4.988 4.988 4.854 0.134 18152 5180 1 8 . 1 1 52 52 THR C C 52 177.060 177.060 172.964 4.096 18152 5181 1 8 . 1 1 52 52 THR CA C 52 59.777 59.777 60.703 -0.926 18152 5182 1 8 . 1 1 52 52 THR CB C 52 72.911 72.911 70.599 2.312 18152 5183 1 8 . 1 1 52 52 THR H H 52 8.836 8.836 9.001 -0.165 18152 5184 1 8 . 1 1 53 53 THR N N 53 113.970 113.970 114.294 -0.324 18152 5185 1 8 . 1 1 53 53 THR HA H 53 4.601 4.601 4.895 -0.294 18152 5186 1 8 . 1 1 53 53 THR C C 53 176.085 176.085 173.297 2.788 18152 5187 1 8 . 1 1 53 53 THR CA C 53 60.920 60.920 58.783 2.137 18152 5188 1 8 . 1 1 53 53 THR CB C 53 67.192 67.192 69.665 -2.473 18152 5189 1 8 . 1 1 53 53 THR H H 53 8.857 8.857 8.387 0.470 18152 5190 1 8 . 1 1 54 54 PRO HA H 54 4.023 4.023 4.471 -0.448 18152 5191 1 8 . 1 1 54 54 PRO CA C 54 64.658 64.658 62.529 2.129 18152 5192 1 8 . 1 1 54 54 PRO CB C 54 29.665 29.665 30.331 -0.666 18152 5193 1 8 . 1 1 55 55 SER N N 55 105.932 105.932 117.189 -11.257 18152 5194 1 8 . 1 1 55 55 SER HA H 55 4.448 4.448 4.317 0.131 18152 5195 1 8 . 1 1 55 55 SER C C 55 176.253 176.253 173.758 2.495 18152 5196 1 8 . 1 1 55 55 SER CA C 55 58.086 58.086 57.851 0.235 18152 5197 1 8 . 1 1 55 55 SER CB C 55 62.950 62.950 64.879 -1.929 18152 5198 1 8 . 1 1 55 55 SER H H 55 6.879 6.879 7.829 -0.950 18152 5199 1 8 . 1 1 56 56 GLY N N 56 109.826 109.826 108.873 0.953 18152 5200 1 8 . 1 1 56 56 GLY C C 56 175.832 175.832 174.297 1.535 18152 5201 1 8 . 1 1 56 56 GLY CA C 56 45.213 45.213 45.479 -0.266 18152 5202 1 8 . 1 1 56 56 GLY H H 56 7.733 7.733 7.349 0.384 18152 5203 1 8 . 1 1 57 57 GLY N N 57 105.805 105.805 111.016 -5.211 18152 5204 1 8 . 1 1 57 57 GLY C C 57 172.905 172.905 173.469 -0.564 18152 5205 1 8 . 1 1 57 57 GLY CA C 57 46.480 46.480 45.586 0.895 18152 5206 1 8 . 1 1 57 57 GLY H H 57 7.481 7.481 8.661 -1.180 18152 5207 1 8 . 1 1 58 58 GLY N N 58 109.086 109.086 109.191 -0.105 18152 5208 1 8 . 1 1 58 58 GLY C C 58 172.807 172.807 172.315 0.492 18152 5209 1 8 . 1 1 58 58 GLY CA C 58 43.642 43.642 44.321 -0.679 18152 5210 1 8 . 1 1 58 58 GLY H H 58 7.549 7.549 7.958 -0.409 18152 5211 1 8 . 1 1 59 59 HIS N N 59 127.776 127.776 120.991 6.785 18152 5212 1 8 . 1 1 59 59 HIS HA H 59 5.162 5.162 4.938 0.224 18152 5213 1 8 . 1 1 59 59 HIS C C 59 174.930 174.930 174.149 0.781 18152 5214 1 8 . 1 1 59 59 HIS CA C 59 52.820 52.820 55.120 -2.300 18152 5215 1 8 . 1 1 59 59 HIS CB C 59 30.250 30.250 30.634 -0.384 18152 5216 1 8 . 1 1 59 59 HIS H H 59 9.517 9.517 8.787 0.730 18152 5217 1 8 . 1 1 60 60 THR N N 60 127.768 127.768 124.523 3.245 18152 5218 1 8 . 1 1 60 60 THR HA H 60 4.870 4.870 5.131 -0.261 18152 5219 1 8 . 1 1 60 60 THR C C 60 171.847 171.847 173.284 -1.437 18152 5220 1 8 . 1 1 60 60 THR CA C 60 61.358 61.358 61.540 -0.182 18152 5221 1 8 . 1 1 60 60 THR CB C 60 69.821 69.821 70.004 -0.183 18152 5222 1 8 . 1 1 60 60 THR H H 60 9.769 9.769 9.407 0.362 18152 5223 1 8 . 1 1 61 61 VAL N N 61 126.493 126.493 127.825 -1.332 18152 5224 1 8 . 1 1 61 61 VAL HA H 61 4.641 4.641 4.854 -0.213 18152 5225 1 8 . 1 1 61 61 VAL C C 61 173.794 173.794 174.495 -0.701 18152 5226 1 8 . 1 1 61 61 VAL CA C 61 59.808 59.808 61.450 -1.642 18152 5227 1 8 . 1 1 61 61 VAL CB C 61 33.334 33.334 34.025 -0.691 18152 5228 1 8 . 1 1 61 61 VAL H H 61 8.534 8.534 8.150 0.384 18152 5229 1 8 . 1 1 62 62 LEU N N 62 126.342 126.342 128.933 -2.591 18152 5230 1 8 . 1 1 62 62 LEU HA H 62 5.345 5.345 5.481 -0.136 18152 5231 1 8 . 1 1 62 62 LEU C C 62 175.554 175.554 175.697 -0.143 18152 5232 1 8 . 1 1 62 62 LEU CA C 62 51.143 51.143 52.918 -1.775 18152 5233 1 8 . 1 1 62 62 LEU CB C 62 43.344 43.344 45.267 -1.923 18152 5234 1 8 . 1 1 62 62 LEU H H 62 9.284 9.284 9.440 -0.156 18152 5235 1 8 . 1 1 63 63 SER N N 63 116.370 116.370 115.358 1.012 18152 5236 1 8 . 1 1 63 63 SER HA H 63 5.328 5.328 5.797 -0.469 18152 5237 1 8 . 1 1 63 63 SER C C 63 174.576 174.576 173.638 0.938 18152 5238 1 8 . 1 1 63 63 SER CA C 63 54.893 54.893 56.613 -1.720 18152 5239 1 8 . 1 1 63 63 SER CB C 63 64.901 64.901 66.698 -1.797 18152 5240 1 8 . 1 1 63 63 SER H H 63 9.117 9.117 8.797 0.320 18152 5241 1 8 . 1 1 64 64 GLY N N 64 111.783 111.783 107.365 4.418 18152 5242 1 8 . 1 1 64 64 GLY C C 64 173.058 173.058 171.840 1.218 18152 5243 1 8 . 1 1 64 64 GLY CA C 64 45.547 45.547 45.017 0.530 18152 5244 1 8 . 1 1 64 64 GLY H H 64 8.723 8.723 8.336 0.387 18152 5245 1 8 . 1 1 74 74 GLY C C 74 173.703 173.703 175.475 -1.772 18152 5246 1 8 . 1 1 74 74 GLY CA C 74 45.507 45.507 45.106 0.401 18152 5247 1 8 . 1 1 75 75 GLN N N 75 116.093 116.093 118.468 -2.375 18152 5248 1 8 . 1 1 75 75 GLN HA H 75 4.229 4.229 4.164 0.065 18152 5249 1 8 . 1 1 75 75 GLN C C 75 177.319 177.319 176.148 1.171 18152 5250 1 8 . 1 1 75 75 GLN CA C 75 56.016 56.016 57.300 -1.284 18152 5251 1 8 . 1 1 75 75 GLN CB C 75 29.310 29.310 29.535 -0.225 18152 5252 1 8 . 1 1 75 75 GLN H H 75 7.598 7.598 7.316 0.282 18152 5253 1 8 . 1 1 76 76 LEU N N 76 117.894 117.894 115.845 2.049 18152 5254 1 8 . 1 1 76 76 LEU HA H 76 4.373 4.373 4.690 -0.317 18152 5255 1 8 . 1 1 76 76 LEU C C 76 175.639 175.639 174.757 0.882 18152 5256 1 8 . 1 1 76 76 LEU CA C 76 54.578 54.578 54.072 0.506 18152 5257 1 8 . 1 1 76 76 LEU CB C 76 41.720 41.720 40.951 0.769 18152 5258 1 8 . 1 1 76 76 LEU H H 76 7.285 7.285 7.520 -0.235 18152 5259 1 8 . 1 1 77 77 LYS N N 77 122.287 122.287 119.579 2.708 18152 5260 1 8 . 1 1 77 77 LYS HA H 77 4.545 4.545 4.375 0.170 18152 5261 1 8 . 1 1 77 77 LYS C C 77 175.553 175.553 175.893 -0.340 18152 5262 1 8 . 1 1 77 77 LYS CA C 77 53.336 53.336 56.131 -2.795 18152 5263 1 8 . 1 1 77 77 LYS CB C 77 36.380 36.380 34.675 1.705 18152 5264 1 8 . 1 1 77 77 LYS H H 77 9.513 9.513 7.661 1.852 18152 5265 1 8 . 1 1 78 78 GLU N N 78 118.949 118.949 120.945 -1.996 18152 5266 1 8 . 1 1 78 78 GLU HA H 78 3.523 3.523 4.404 -0.881 18152 5267 1 8 . 1 1 78 78 GLU C C 78 177.053 177.053 177.206 -0.153 18152 5268 1 8 . 1 1 78 78 GLU CA C 78 59.205 59.205 59.193 0.012 18152 5269 1 8 . 1 1 78 78 GLU CB C 78 28.284 28.284 29.668 -1.384 18152 5270 1 8 . 1 1 78 78 GLU H H 78 8.900 8.900 8.973 -0.073 18152 5271 1 8 . 1 1 79 79 LYS N N 79 114.843 114.843 115.679 -0.836 18152 5272 1 8 . 1 1 79 79 LYS HA H 79 3.751 3.751 4.315 -0.564 18152 5273 1 8 . 1 1 79 79 LYS C C 79 176.434 176.434 176.334 0.100 18152 5274 1 8 . 1 1 79 79 LYS CA C 79 59.231 59.231 56.756 2.475 18152 5275 1 8 . 1 1 79 79 LYS CB C 79 29.657 29.657 32.337 -2.680 18152 5276 1 8 . 1 1 79 79 LYS H H 79 8.909 8.909 7.966 0.943 18152 5277 1 8 . 1 1 80 80 ASP N N 80 119.664 119.664 120.588 -0.924 18152 5278 1 8 . 1 1 80 80 ASP HA H 80 4.946 4.946 4.638 0.308 18152 5279 1 8 . 1 1 80 80 ASP C C 80 175.886 175.886 174.625 1.261 18152 5280 1 8 . 1 1 80 80 ASP CA C 80 55.661 55.661 54.811 0.850 18152 5281 1 8 . 1 1 80 80 ASP CB C 80 41.782 41.782 42.123 -0.341 18152 5282 1 8 . 1 1 80 80 ASP H H 80 8.052 8.052 7.609 0.443 18152 5283 1 8 . 1 1 81 81 THR N N 81 111.597 111.597 113.357 -1.760 18152 5284 1 8 . 1 1 81 81 THR HA H 81 5.321 5.321 4.854 0.467 18152 5285 1 8 . 1 1 81 81 THR C C 81 174.221 174.221 173.081 1.140 18152 5286 1 8 . 1 1 81 81 THR CA C 81 61.103 61.103 60.890 0.213 18152 5287 1 8 . 1 1 81 81 THR CB C 81 71.264 71.264 71.618 -0.354 18152 5288 1 8 . 1 1 81 81 THR H H 81 8.083 8.083 8.288 -0.205 18152 5289 1 8 . 1 1 82 82 LEU N N 82 120.358 120.358 124.266 -3.908 18152 5290 1 8 . 1 1 82 82 LEU HA H 82 4.836 4.836 4.826 0.010 18152 5291 1 8 . 1 1 82 82 LEU C C 82 174.850 174.850 175.602 -0.752 18152 5292 1 8 . 1 1 82 82 LEU CA C 82 53.721 53.721 53.950 -0.229 18152 5293 1 8 . 1 1 82 82 LEU CB C 82 45.655 45.655 44.423 1.232 18152 5294 1 8 . 1 1 82 82 LEU H H 82 8.684 8.684 8.760 -0.076 18152 5295 1 8 . 1 1 83 83 VAL N N 83 121.834 121.834 123.434 -1.600 18152 5296 1 8 . 1 1 83 83 VAL HA H 83 5.269 5.269 5.243 0.026 18152 5297 1 8 . 1 1 83 83 VAL C C 83 174.766 174.766 175.199 -0.433 18152 5298 1 8 . 1 1 83 83 VAL CA C 83 61.157 61.157 61.017 0.140 18152 5299 1 8 . 1 1 83 83 VAL CB C 83 34.923 34.923 33.364 1.559 18152 5300 1 8 . 1 1 83 83 VAL H H 83 8.670 8.670 9.079 -0.409 18152 5301 1 8 . 1 1 84 84 LEU N N 84 129.811 129.811 130.005 -0.194 18152 5302 1 8 . 1 1 84 84 LEU HA H 84 5.647 5.647 5.001 0.646 18152 5303 1 8 . 1 1 84 84 LEU C C 84 175.644 175.644 175.971 -0.327 18152 5304 1 8 . 1 1 84 84 LEU CA C 84 53.160 53.160 54.149 -0.989 18152 5305 1 8 . 1 1 84 84 LEU CB C 84 46.815 46.815 43.504 3.311 18152 5306 1 8 . 1 1 84 84 LEU H H 84 10.025 10.025 9.387 0.638 18152 5307 1 8 . 1 1 85 85 GLU N N 85 125.273 125.273 124.054 1.219 18152 5308 1 8 . 1 1 85 85 GLU HA H 85 5.293 5.293 5.549 -0.256 18152 5309 1 8 . 1 1 85 85 GLU C C 85 175.910 175.910 175.353 0.557 18152 5310 1 8 . 1 1 85 85 GLU CA C 85 54.716 54.716 54.955 -0.239 18152 5311 1 8 . 1 1 85 85 GLU CB C 85 30.904 30.904 31.496 -0.592 18152 5312 1 8 . 1 1 85 85 GLU H H 85 9.117 9.117 8.846 0.271 18152 5313 1 8 . 1 1 86 86 TYR N N 86 125.299 125.299 125.544 -0.245 18152 5314 1 8 . 1 1 86 86 TYR HA H 86 4.825 4.825 4.762 0.063 18152 5315 1 8 . 1 1 86 86 TYR C C 86 174.077 174.077 174.738 -0.661 18152 5316 1 8 . 1 1 86 86 TYR CA C 86 57.516 57.516 58.140 -0.624 18152 5317 1 8 . 1 1 86 86 TYR CB C 86 41.720 41.720 42.410 -0.690 18152 5318 1 8 . 1 1 86 86 TYR H H 86 9.056 9.056 9.179 -0.123 18152 5319 1 8 . 1 1 87 87 ASP N N 87 131.006 131.006 128.054 2.952 18152 5320 1 8 . 1 1 87 87 ASP HA H 87 3.921 3.921 4.389 -0.468 18152 5321 1 8 . 1 1 87 87 ASP C C 87 171.773 171.773 175.563 -3.790 18152 5322 1 8 . 1 1 87 87 ASP CA C 87 54.613 54.613 54.902 -0.289 18152 5323 1 8 . 1 1 87 87 ASP CB C 87 39.659 39.659 40.299 -0.640 18152 5324 1 8 . 1 1 87 87 ASP H H 87 9.071 9.071 9.083 -0.012 18152 5325 1 8 . 1 1 88 88 ASN N N 88 109.843 109.843 110.383 -0.540 18152 5326 1 8 . 1 1 88 88 ASN HA H 88 4.159 4.159 4.364 -0.205 18152 5327 1 8 . 1 1 88 88 ASN C C 88 173.995 173.995 174.180 -0.185 18152 5328 1 8 . 1 1 88 88 ASN CA C 88 54.528 54.528 55.156 -0.628 18152 5329 1 8 . 1 1 88 88 ASN CB C 88 37.383 37.383 37.841 -0.458 18152 5330 1 8 . 1 1 88 88 ASN H H 88 8.613 8.613 8.761 -0.148 18152 5331 1 8 . 1 1 89 89 LYS N N 89 119.021 119.021 119.831 -0.810 18152 5332 1 8 . 1 1 89 89 LYS HA H 89 4.714 4.714 4.773 -0.059 18152 5333 1 8 . 1 1 89 89 LYS C C 89 174.644 174.644 175.312 -0.668 18152 5334 1 8 . 1 1 89 89 LYS CA C 89 55.133 55.133 55.653 -0.520 18152 5335 1 8 . 1 1 89 89 LYS CB C 89 36.460 36.460 35.108 1.352 18152 5336 1 8 . 1 1 89 89 LYS H H 89 7.903 7.903 7.654 0.249 18152 5337 1 8 . 1 1 90 90 THR N N 90 117.141 117.141 118.073 -0.932 18152 5338 1 8 . 1 1 90 90 THR HA H 90 4.819 4.819 5.354 -0.535 18152 5339 1 8 . 1 1 90 90 THR C C 90 172.823 172.823 173.929 -1.106 18152 5340 1 8 . 1 1 90 90 THR CA C 90 61.745 61.745 61.099 0.646 18152 5341 1 8 . 1 1 90 90 THR CB C 90 69.709 69.709 69.874 -0.165 18152 5342 1 8 . 1 1 90 90 THR H H 90 8.451 8.451 8.444 0.007 18152 5343 1 8 . 1 1 91 91 TYR N N 91 127.333 127.333 126.397 0.936 18152 5344 1 8 . 1 1 91 91 TYR HA H 91 4.620 4.620 4.946 -0.326 18152 5345 1 8 . 1 1 91 91 TYR C C 91 174.313 174.313 175.710 -1.397 18152 5346 1 8 . 1 1 91 91 TYR CA C 91 56.764 56.764 56.363 0.401 18152 5347 1 8 . 1 1 91 91 TYR CB C 91 41.054 41.054 41.508 -0.454 18152 5348 1 8 . 1 1 91 91 TYR H H 91 9.552 9.552 9.879 -0.327 18152 5349 1 8 . 1 1 92 92 THR N N 92 117.709 117.709 117.722 -0.013 18152 5350 1 8 . 1 1 92 92 THR HA H 92 4.941 4.941 4.835 0.106 18152 5351 1 8 . 1 1 92 92 THR C C 92 172.464 172.464 173.426 -0.962 18152 5352 1 8 . 1 1 92 92 THR CA C 92 61.320 61.320 61.247 0.073 18152 5353 1 8 . 1 1 92 92 THR CB C 92 69.546 69.546 69.197 0.349 18152 5354 1 8 . 1 1 92 92 THR H H 92 8.705 8.705 9.268 -0.563 18152 5355 1 8 . 1 1 93 93 TYR N N 93 122.946 122.946 125.154 -2.208 18152 5356 1 8 . 1 1 93 93 TYR HA H 93 5.431 5.431 5.326 0.105 18152 5357 1 8 . 1 1 93 93 TYR C C 93 174.846 174.846 175.362 -0.516 18152 5358 1 8 . 1 1 93 93 TYR CA C 93 55.804 55.804 56.531 -0.727 18152 5359 1 8 . 1 1 93 93 TYR CB C 93 42.627 42.627 42.809 -0.182 18152 5360 1 8 . 1 1 93 93 TYR H H 93 9.381 9.381 9.705 -0.324 18152 5361 1 8 . 1 1 94 94 GLU N N 94 121.240 121.240 120.595 0.645 18152 5362 1 8 . 1 1 94 94 GLU HA H 94 4.901 4.901 5.025 -0.124 18152 5363 1 8 . 1 1 94 94 GLU C C 94 177.060 177.060 175.299 1.761 18152 5364 1 8 . 1 1 94 94 GLU CA C 94 54.073 54.073 54.442 -0.369 18152 5365 1 8 . 1 1 94 94 GLU CB C 94 33.787 33.787 34.402 -0.615 18152 5366 1 8 . 1 1 94 94 GLU H H 94 9.100 9.100 9.075 0.025 18152 5367 1 8 . 1 1 95 95 ILE N N 95 128.525 128.525 126.302 2.223 18152 5368 1 8 . 1 1 95 95 ILE HA H 95 3.737 3.737 4.126 -0.389 18152 5369 1 8 . 1 1 95 95 ILE C C 95 176.261 176.261 176.686 -0.425 18152 5370 1 8 . 1 1 95 95 ILE CA C 95 64.664 64.664 63.544 1.120 18152 5371 1 8 . 1 1 95 95 ILE CB C 95 37.472 37.472 37.318 0.154 18152 5372 1 8 . 1 1 95 95 ILE H H 95 9.293 9.293 8.425 0.868 18152 5373 1 8 . 1 1 96 96 GLN N N 96 127.221 127.221 128.144 -0.923 18152 5374 1 8 . 1 1 96 96 GLN HA H 96 4.831 4.831 4.407 0.424 18152 5375 1 8 . 1 1 96 96 GLN C C 96 174.674 174.674 175.946 -1.272 18152 5376 1 8 . 1 1 96 96 GLN CA C 96 54.632 54.632 57.272 -2.640 18152 5377 1 8 . 1 1 96 96 GLN CB C 96 31.165 31.165 30.283 0.882 18152 5378 1 8 . 1 1 96 96 GLN H H 96 10.106 10.106 8.676 1.430 18152 5379 1 8 . 1 1 97 97 LYS N N 97 120.717 120.717 118.613 2.104 18152 5380 1 8 . 1 1 97 97 LYS HA H 97 4.658 4.658 4.632 0.026 18152 5381 1 8 . 1 1 97 97 LYS C C 97 173.200 173.200 174.251 -1.051 18152 5382 1 8 . 1 1 97 97 LYS CA C 97 56.528 56.528 55.534 0.994 18152 5383 1 8 . 1 1 97 97 LYS CB C 97 36.462 36.462 35.462 1.000 18152 5384 1 8 . 1 1 97 97 LYS H H 97 7.958 7.958 7.590 0.368 18152 5385 1 8 . 1 1 98 98 ILE N N 98 125.089 125.089 123.679 1.410 18152 5386 1 8 . 1 1 98 98 ILE HA H 98 5.221 5.221 4.715 0.506 18152 5387 1 8 . 1 1 98 98 ILE C C 98 175.821 175.821 175.658 0.163 18152 5388 1 8 . 1 1 98 98 ILE CA C 98 60.078 60.078 60.062 0.016 18152 5389 1 8 . 1 1 98 98 ILE CB C 98 42.082 42.082 40.108 1.974 18152 5390 1 8 . 1 1 98 98 ILE H H 98 8.458 8.458 8.491 -0.033 18152 5391 1 8 . 1 1 99 99 TRP N N 99 129.003 129.003 126.329 2.674 18152 5392 1 8 . 1 1 99 99 TRP HA H 99 4.661 4.661 4.960 -0.299 18152 5393 1 8 . 1 1 99 99 TRP C C 99 170.353 170.353 172.851 -2.498 18152 5394 1 8 . 1 1 99 99 TRP CA C 99 56.388 56.388 55.802 0.586 18152 5395 1 8 . 1 1 99 99 TRP CB C 99 31.158 31.158 30.462 0.696 18152 5396 1 8 . 1 1 99 99 TRP H H 99 9.291 9.291 8.180 1.111 18152 5397 1 8 . 1 1 100 100 ILE N N 100 117.739 117.739 119.053 -1.314 18152 5398 1 8 . 1 1 100 100 ILE HA H 100 4.616 4.616 4.310 0.306 18152 5399 1 8 . 1 1 100 100 ILE C C 100 176.258 176.258 174.999 1.259 18152 5400 1 8 . 1 1 100 100 ILE CA C 100 58.973 58.973 60.143 -1.170 18152 5401 1 8 . 1 1 100 100 ILE CB C 100 40.734 40.734 40.032 0.702 18152 5402 1 8 . 1 1 100 100 ILE H H 100 7.778 7.778 8.291 -0.513 18152 5403 1 8 . 1 1 101 101 THR N N 101 120.676 120.676 119.179 1.497 18152 5404 1 8 . 1 1 101 101 THR HA H 101 4.755 4.755 4.824 -0.069 18152 5405 1 8 . 1 1 101 101 THR C C 101 172.069 172.069 172.909 -0.840 18152 5406 1 8 . 1 1 101 101 THR CA C 101 57.557 57.557 59.098 -1.541 18152 5407 1 8 . 1 1 101 101 THR CB C 101 70.656 70.656 72.046 -1.390 18152 5408 1 8 . 1 1 101 101 THR H H 101 8.587 8.587 8.669 -0.082 18152 5409 1 8 . 1 1 102 102 HIS N N 102 119.885 119.885 119.788 0.097 18152 5410 1 8 . 1 1 102 102 HIS HA H 102 5.401 5.401 4.640 0.761 18152 5411 1 8 . 1 1 102 102 HIS C C 102 176.781 176.781 176.216 0.565 18152 5412 1 8 . 1 1 102 102 HIS CA C 102 54.482 54.482 55.670 -1.188 18152 5413 1 8 . 1 1 102 102 HIS CB C 102 31.240 31.240 30.595 0.645 18152 5414 1 8 . 1 1 102 102 HIS H H 102 8.194 8.194 8.285 -0.091 18152 5415 1 8 . 1 1 103 103 ALA N N 103 121.632 121.632 123.430 -1.798 18152 5416 1 8 . 1 1 103 103 ALA HA H 103 3.710 3.710 4.087 -0.377 18152 5417 1 8 . 1 1 103 103 ALA C C 103 177.587 177.587 176.633 0.954 18152 5418 1 8 . 1 1 103 103 ALA CA C 103 54.899 54.899 53.913 0.985 18152 5419 1 8 . 1 1 103 103 ALA CB C 103 17.981 17.981 18.826 -0.845 18152 5420 1 8 . 1 1 103 103 ALA H H 103 8.405 8.405 9.085 -0.680 18152 5421 1 8 . 1 1 104 104 ASP N N 104 114.513 114.513 115.703 -1.190 18152 5422 1 8 . 1 1 104 104 ASP HA H 104 4.603 4.603 4.675 -0.072 18152 5423 1 8 . 1 1 104 104 ASP C C 104 175.283 175.283 175.156 0.127 18152 5424 1 8 . 1 1 104 104 ASP CA C 104 53.070 53.070 52.751 0.319 18152 5425 1 8 . 1 1 104 104 ASP CB C 104 40.034 40.034 41.098 -1.064 18152 5426 1 8 . 1 1 104 104 ASP H H 104 8.314 8.314 7.952 0.362 18152 5427 1 8 . 1 1 105 105 ASP N N 105 119.184 119.184 121.184 -2.000 18152 5428 1 8 . 1 1 105 105 ASP HA H 105 4.170 4.170 4.727 -0.557 18152 5429 1 8 . 1 1 105 105 ASP C C 105 177.674 177.674 177.094 0.580 18152 5430 1 8 . 1 1 105 105 ASP CA C 105 54.268 54.268 52.759 1.509 18152 5431 1 8 . 1 1 105 105 ASP CB C 105 39.846 39.846 41.000 -1.154 18152 5432 1 8 . 1 1 105 105 ASP H H 105 7.043 7.043 7.653 -0.610 18152 5433 1 8 . 1 1 106 106 ARG N N 106 127.998 127.998 127.365 0.633 18152 5434 1 8 . 1 1 106 106 ARG HA H 106 4.368 4.368 4.046 0.322 18152 5435 1 8 . 1 1 106 106 ARG C C 106 177.709 177.709 178.079 -0.370 18152 5436 1 8 . 1 1 106 106 ARG CA C 106 55.888 55.888 58.934 -3.046 18152 5437 1 8 . 1 1 106 106 ARG CB C 106 29.264 29.264 29.677 -0.413 18152 5438 1 8 . 1 1 106 106 ARG H H 106 8.921 8.921 8.012 0.909 18152 5439 1 8 . 1 1 107 107 THR N N 107 111.880 111.880 112.867 -0.987 18152 5440 1 8 . 1 1 107 107 THR HA H 107 4.139 4.139 4.012 0.127 18152 5441 1 8 . 1 1 107 107 THR C C 107 173.548 173.548 175.486 -1.938 18152 5442 1 8 . 1 1 107 107 THR CA C 107 62.350 62.350 65.370 -3.020 18152 5443 1 8 . 1 1 107 107 THR CB C 107 68.935 68.935 68.141 0.794 18152 5444 1 8 . 1 1 107 107 THR H H 107 8.857 8.857 8.121 0.736 18152 5445 1 8 . 1 1 108 108 VAL N N 108 118.971 118.971 116.214 2.757 18152 5446 1 8 . 1 1 108 108 VAL HA H 108 3.942 3.942 4.207 -0.265 18152 5447 1 8 . 1 1 108 108 VAL C C 108 176.853 176.853 175.542 1.311 18152 5448 1 8 . 1 1 108 108 VAL CA C 108 63.878 63.878 63.733 0.145 18152 5449 1 8 . 1 1 108 108 VAL CB C 108 32.470 32.470 33.003 -0.533 18152 5450 1 8 . 1 1 108 108 VAL H H 108 6.811 6.811 7.356 -0.545 18152 5451 1 8 . 1 1 109 109 ILE N N 109 120.334 120.334 118.234 2.100 18152 5452 1 8 . 1 1 109 109 ILE HA H 109 3.438 3.438 4.308 -0.870 18152 5453 1 8 . 1 1 109 109 ILE C C 109 173.191 173.191 175.971 -2.780 18152 5454 1 8 . 1 1 109 109 ILE CA C 109 60.963 60.963 59.812 1.151 18152 5455 1 8 . 1 1 109 109 ILE CB C 109 33.933 33.933 36.574 -2.641 18152 5456 1 8 . 1 1 109 109 ILE H H 109 8.053 8.053 8.081 -0.028 18152 5457 1 8 . 1 1 110 110 ILE N N 110 118.981 118.981 118.913 0.068 18152 5458 1 8 . 1 1 110 110 ILE HA H 110 4.542 4.542 4.481 0.061 18152 5459 1 8 . 1 1 110 110 ILE C C 110 174.405 174.405 175.019 -0.614 18152 5460 1 8 . 1 1 110 110 ILE CA C 110 57.932 57.932 59.125 -1.193 18152 5461 1 8 . 1 1 110 110 ILE CB C 110 42.146 42.146 38.488 3.658 18152 5462 1 8 . 1 1 110 110 ILE H H 110 6.877 6.877 7.606 -0.729 18152 5463 1 8 . 1 1 111 111 LYS N N 111 123.307 123.307 120.288 3.019 18152 5464 1 8 . 1 1 111 111 LYS HA H 111 4.609 4.609 4.580 0.029 18152 5465 1 8 . 1 1 111 111 LYS C C 111 176.528 176.528 176.180 0.348 18152 5466 1 8 . 1 1 111 111 LYS CA C 111 56.695 56.695 56.108 0.587 18152 5467 1 8 . 1 1 111 111 LYS CB C 111 33.092 33.092 33.580 -0.487 18152 5468 1 8 . 1 1 111 111 LYS H H 111 8.492 8.492 8.094 0.398 18152 5469 1 8 . 1 1 112 112 LYS N N 112 121.425 121.425 124.577 -3.152 18152 5470 1 8 . 1 1 112 112 LYS HA H 112 4.706 4.706 4.428 0.278 18152 5471 1 8 . 1 1 112 112 LYS C C 112 175.996 175.996 176.258 -0.262 18152 5472 1 8 . 1 1 112 112 LYS CA C 112 53.271 53.271 55.187 -1.916 18152 5473 1 8 . 1 1 112 112 LYS CB C 112 36.089 36.089 34.664 1.425 18152 5474 1 8 . 1 1 112 112 LYS H H 112 8.351 8.351 8.694 -0.343 18152 5475 1 8 . 1 1 113 113 GLU N N 113 119.533 119.533 121.794 -2.261 18152 5476 1 8 . 1 1 113 113 GLU HA H 113 4.372 4.372 4.408 -0.036 18152 5477 1 8 . 1 1 113 113 GLU C C 113 174.477 174.477 175.660 -1.183 18152 5478 1 8 . 1 1 113 113 GLU CA C 113 55.175 55.175 56.286 -1.111 18152 5479 1 8 . 1 1 113 113 GLU CB C 113 29.097 29.097 29.921 -0.824 18152 5480 1 8 . 1 1 113 113 GLU H H 113 8.815 8.815 8.739 0.076 18152 5481 1 8 . 1 1 114 114 GLU N N 114 117.843 117.843 117.550 0.293 18152 5482 1 8 . 1 1 114 114 GLU HA H 114 4.701 4.701 4.629 0.072 18152 5483 1 8 . 1 1 114 114 GLU C C 114 172.378 172.378 173.869 -1.491 18152 5484 1 8 . 1 1 114 114 GLU CA C 114 52.633 52.633 53.370 -0.737 18152 5485 1 8 . 1 1 114 114 GLU CB C 114 30.487 30.487 30.575 -0.088 18152 5486 1 8 . 1 1 114 114 GLU H H 114 7.426 7.426 7.674 -0.248 18152 5487 1 8 . 1 1 115 115 PRO HA H 115 4.725 4.725 5.127 -0.402 18152 5488 1 8 . 1 1 115 115 PRO CA C 115 62.352 62.352 62.965 -0.613 18152 5489 1 8 . 1 1 115 115 PRO CB C 115 30.706 30.706 31.351 -0.645 18152 5490 1 8 . 1 1 116 116 ILE N N 116 130.464 130.464 124.231 6.233 18152 5491 1 8 . 1 1 116 116 ILE HA H 116 4.785 4.785 5.001 -0.216 18152 5492 1 8 . 1 1 116 116 ILE C C 116 172.992 172.992 174.173 -1.181 18152 5493 1 8 . 1 1 116 116 ILE CA C 116 56.976 56.976 58.900 -1.924 18152 5494 1 8 . 1 1 116 116 ILE CB C 116 41.420 41.420 42.304 -0.884 18152 5495 1 8 . 1 1 116 116 ILE H H 116 7.830 7.830 8.847 -1.017 18152 5496 1 8 . 1 1 117 117 LEU N N 117 128.504 128.504 128.411 0.093 18152 5497 1 8 . 1 1 117 117 LEU HA H 117 5.307 5.307 5.153 0.154 18152 5498 1 8 . 1 1 117 117 LEU C C 117 174.488 174.488 175.162 -0.674 18152 5499 1 8 . 1 1 117 117 LEU CA C 117 52.062 52.062 53.209 -1.147 18152 5500 1 8 . 1 1 117 117 LEU CB C 117 45.447 45.447 44.663 0.784 18152 5501 1 8 . 1 1 117 117 LEU H H 117 8.838 8.838 8.919 -0.081 18152 5502 1 8 . 1 1 118 118 THR N N 118 125.436 125.436 123.531 1.905 18152 5503 1 8 . 1 1 118 118 THR HA H 118 5.417 5.417 4.807 0.610 18152 5504 1 8 . 1 1 118 118 THR C C 118 173.169 173.169 172.665 0.504 18152 5505 1 8 . 1 1 118 118 THR CA C 118 60.596 60.596 62.310 -1.714 18152 5506 1 8 . 1 1 118 118 THR CB C 118 68.558 68.558 69.888 -1.330 18152 5507 1 8 . 1 1 118 118 THR H H 118 8.938 8.938 9.129 -0.191 18152 5508 1 8 . 1 1 119 119 LEU N N 119 128.310 128.310 130.336 -2.026 18152 5509 1 8 . 1 1 119 119 LEU HA H 119 5.103 5.103 5.079 0.024 18152 5510 1 8 . 1 1 119 119 LEU C C 119 174.404 174.404 174.810 -0.406 18152 5511 1 8 . 1 1 119 119 LEU CA C 119 52.439 52.439 52.906 -0.467 18152 5512 1 8 . 1 1 119 119 LEU CB C 119 44.373 44.373 45.004 -0.631 18152 5513 1 8 . 1 1 119 119 LEU H H 119 9.280 9.280 9.106 0.174 18152 5514 1 8 . 1 1 120 120 THR N N 120 117.635 117.635 120.308 -2.673 18152 5515 1 8 . 1 1 120 120 THR HA H 120 5.590 5.590 5.420 0.170 18152 5516 1 8 . 1 1 120 120 THR C C 120 172.735 172.735 174.217 -1.482 18152 5517 1 8 . 1 1 120 120 THR CA C 120 57.360 57.360 59.730 -2.370 18152 5518 1 8 . 1 1 120 120 THR CB C 120 70.136 70.136 70.270 -0.134 18152 5519 1 8 . 1 1 120 120 THR H H 120 8.640 8.640 9.333 -0.693 18152 5520 1 8 . 1 1 121 121 THR N N 121 116.149 116.149 118.238 -2.089 18152 5521 1 8 . 1 1 121 121 THR HA H 121 4.766 4.766 4.859 -0.093 18152 5522 1 8 . 1 1 121 121 THR C C 121 174.145 174.145 173.915 0.230 18152 5523 1 8 . 1 1 121 121 THR CA C 121 59.550 59.550 60.566 -1.016 18152 5524 1 8 . 1 1 121 121 THR CB C 121 71.701 71.701 70.347 1.354 18152 5525 1 8 . 1 1 121 121 THR H H 121 8.374 8.374 8.898 -0.524 18152 5526 1 8 . 1 1 123 123 TYR N N 123 121.847 121.847 123.401 -1.554 18152 5527 1 8 . 1 1 123 123 TYR H H 123 7.461 7.461 8.154 -0.693 18152 5528 1 8 . 1 1 125 125 PHE N N 125 120.754 120.754 119.788 0.966 18152 5529 1 8 . 1 1 125 125 PHE HA H 125 4.420 4.420 4.311 0.109 18152 5530 1 8 . 1 1 125 125 PHE C C 125 176.083 176.083 175.615 0.468 18152 5531 1 8 . 1 1 125 125 PHE CA C 125 58.918 58.918 59.965 -1.047 18152 5532 1 8 . 1 1 125 125 PHE CB C 125 38.624 38.624 38.563 0.061 18152 5533 1 8 . 1 1 125 125 PHE H H 125 7.334 7.334 8.112 -0.778 18152 5534 1 8 . 1 1 126 126 ASP N N 126 114.938 114.938 117.403 -2.465 18152 5535 1 8 . 1 1 126 126 ASP HA H 126 4.548 4.548 4.491 0.057 18152 5536 1 8 . 1 1 126 126 ASP C C 126 175.285 175.285 176.182 -0.897 18152 5537 1 8 . 1 1 126 126 ASP CA C 126 51.974 51.974 54.591 -2.617 18152 5538 1 8 . 1 1 126 126 ASP CB C 126 39.454 39.454 40.168 -0.714 18152 5539 1 8 . 1 1 126 126 ASP H H 126 8.179 8.179 7.096 1.083 18152 5540 1 8 . 1 1 127 127 TYR N N 127 121.170 121.170 121.758 -0.588 18152 5541 1 8 . 1 1 127 127 TYR HA H 127 3.947 3.947 4.136 -0.189 18152 5542 1 8 . 1 1 127 127 TYR C C 127 175.022 175.022 175.235 -0.213 18152 5543 1 8 . 1 1 127 127 TYR CA C 127 58.734 58.734 59.557 -0.823 18152 5544 1 8 . 1 1 127 127 TYR CB C 127 39.330 39.330 38.779 0.551 18152 5545 1 8 . 1 1 127 127 TYR H H 127 7.196 7.196 7.483 -0.287 18152 5546 1 8 . 1 1 128 128 ILE N N 128 127.293 127.293 118.116 9.177 18152 5547 1 8 . 1 1 128 128 ILE HA H 128 4.081 4.081 3.721 0.360 18152 5548 1 8 . 1 1 128 128 ILE C C 128 174.579 174.579 174.740 -0.161 18152 5549 1 8 . 1 1 128 128 ILE CA C 128 60.165 60.165 61.460 -1.295 18152 5550 1 8 . 1 1 128 128 ILE CB C 128 37.120 37.120 36.106 1.014 18152 5551 1 8 . 1 1 128 128 ILE H H 128 7.634 7.634 7.760 -0.126 18152 5552 1 8 . 1 1 129 129 GLY N N 129 114.862 114.862 113.856 1.006 18152 5553 1 8 . 1 1 129 129 GLY C C 129 172.992 172.992 173.140 -0.148 18152 5554 1 8 . 1 1 129 129 GLY CA C 129 43.458 43.458 44.926 -1.468 18152 5555 1 8 . 1 1 129 129 GLY H H 129 8.150 8.150 8.324 -0.174 18152 5556 1 8 . 1 1 130 130 ASP N N 130 122.165 122.165 125.810 -3.645 18152 5557 1 8 . 1 1 130 130 ASP HA H 130 4.639 4.639 4.655 -0.016 18152 5558 1 8 . 1 1 130 130 ASP C C 130 174.579 174.579 174.916 -0.337 18152 5559 1 8 . 1 1 130 130 ASP CA C 130 53.344 53.344 52.647 0.697 18152 5560 1 8 . 1 1 130 130 ASP CB C 130 39.979 39.979 41.028 -1.049 18152 5561 1 8 . 1 1 130 130 ASP H H 130 8.541 8.541 8.708 -0.167 18152 5562 1 8 . 1 1 131 131 ALA N N 131 129.087 129.087 127.902 1.185 18152 5563 1 8 . 1 1 131 131 ALA HA H 131 3.673 3.673 3.418 0.255 18152 5564 1 8 . 1 1 131 131 ALA C C 131 176.791 176.791 176.308 0.483 18152 5565 1 8 . 1 1 131 131 ALA CA C 131 50.186 50.186 49.922 0.264 18152 5566 1 8 . 1 1 131 131 ALA CB C 131 17.692 17.692 18.353 -0.661 18152 5567 1 8 . 1 1 131 131 ALA H H 131 8.280 8.280 7.940 0.340 18152 5568 1 8 . 1 1 133 133 ASP N N 133 117.477 117.477 117.981 -0.504 18152 5569 1 8 . 1 1 133 133 ASP HA H 133 5.512 5.512 4.824 0.688 18152 5570 1 8 . 1 1 133 133 ASP C C 133 175.988 175.988 175.845 0.143 18152 5571 1 8 . 1 1 133 133 ASP CA C 133 53.067 53.067 53.581 -0.514 18152 5572 1 8 . 1 1 133 133 ASP CB C 133 45.102 45.102 42.186 2.916 18152 5573 1 8 . 1 1 133 133 ASP H H 133 7.355 7.355 7.910 -0.555 18152 5574 1 8 . 1 1 134 134 ARG N N 134 120.986 120.986 120.322 0.664 18152 5575 1 8 . 1 1 134 134 ARG HA H 134 4.871 4.871 4.687 0.184 18152 5576 1 8 . 1 1 134 134 ARG C C 134 172.288 172.288 175.037 -2.749 18152 5577 1 8 . 1 1 134 134 ARG CA C 134 53.958 53.958 55.047 -1.089 18152 5578 1 8 . 1 1 134 134 ARG CB C 134 33.787 33.787 32.428 1.359 18152 5579 1 8 . 1 1 134 134 ARG H H 134 9.308 9.308 9.038 0.270 18152 5580 1 8 . 1 1 135 135 TYR N N 135 127.342 127.342 126.704 0.638 18152 5581 1 8 . 1 1 135 135 TYR HA H 135 4.037 4.037 4.375 -0.338 18152 5582 1 8 . 1 1 135 135 TYR C C 135 173.811 173.811 174.661 -0.850 18152 5583 1 8 . 1 1 135 135 TYR CA C 135 57.419 57.419 59.866 -2.447 18152 5584 1 8 . 1 1 135 135 TYR CB C 135 40.515 40.515 39.696 0.819 18152 5585 1 8 . 1 1 135 135 TYR H H 135 8.867 8.867 8.298 0.569 18152 5586 1 8 . 1 1 136 136 ILE N N 136 128.458 128.458 125.791 2.667 18152 5587 1 8 . 1 1 136 136 ILE HA H 136 4.133 4.133 4.365 -0.232 18152 5588 1 8 . 1 1 136 136 ILE C C 136 173.610 173.610 173.748 -0.138 18152 5589 1 8 . 1 1 136 136 ILE CA C 136 58.968 58.968 58.917 0.051 18152 5590 1 8 . 1 1 136 136 ILE CB C 136 40.998 40.998 38.846 2.152 18152 5591 1 8 . 1 1 136 136 ILE H H 136 8.569 8.569 8.383 0.186 18152 5592 1 8 . 1 1 137 137 ILE N N 137 123.623 123.623 128.668 -5.045 18152 5593 1 8 . 1 1 137 137 ILE HA H 137 4.330 4.330 4.075 0.255 18152 5594 1 8 . 1 1 137 137 ILE C C 137 173.524 173.524 173.746 -0.222 18152 5595 1 8 . 1 1 137 137 ILE CA C 137 59.873 59.873 59.739 0.134 18152 5596 1 8 . 1 1 137 137 ILE CB C 137 40.767 40.767 39.520 1.247 18152 5597 1 8 . 1 1 137 137 ILE H H 137 8.263 8.263 9.069 -0.806 18152 5598 1 8 . 1 1 138 138 GLU N N 138 127.009 127.009 129.377 -2.368 18152 5599 1 8 . 1 1 138 138 GLU HA H 138 5.219 5.219 4.864 0.355 18152 5600 1 8 . 1 1 138 138 GLU C C 138 175.383 175.383 174.720 0.663 18152 5601 1 8 . 1 1 138 138 GLU CA C 138 54.895 54.895 54.784 0.111 18152 5602 1 8 . 1 1 138 138 GLU CB C 138 33.904 33.904 32.655 1.249 18152 5603 1 8 . 1 1 138 138 GLU H H 138 9.166 9.166 7.958 1.208 18152 5604 1 8 . 1 1 139 139 ALA N N 139 132.785 132.785 127.629 5.156 18152 5605 1 8 . 1 1 139 139 ALA HA H 139 5.231 5.231 5.361 -0.130 18152 5606 1 8 . 1 1 139 139 ALA C C 139 173.789 173.789 175.121 -1.332 18152 5607 1 8 . 1 1 139 139 ALA CA C 139 50.197 50.197 50.823 -0.626 18152 5608 1 8 . 1 1 139 139 ALA CB C 139 24.262 24.262 23.480 0.782 18152 5609 1 8 . 1 1 139 139 ALA H H 139 10.313 10.313 8.739 1.574 18152 5610 1 8 . 1 1 140 140 LYS N N 140 120.672 120.672 122.747 -2.075 18152 5611 1 8 . 1 1 140 140 LYS HA H 140 5.062 5.062 5.072 -0.010 18152 5612 1 8 . 1 1 140 140 LYS C C 140 175.807 175.807 175.133 0.674 18152 5613 1 8 . 1 1 140 140 LYS CA C 140 54.250 54.250 54.082 0.168 18152 5614 1 8 . 1 1 140 140 LYS CB C 140 34.937 34.937 36.992 -2.054 18152 5615 1 8 . 1 1 140 140 LYS H H 140 8.507 8.507 8.645 -0.138 18152 5616 1 8 . 1 1 141 141 LEU N N 141 126.557 126.557 127.624 -1.067 18152 5617 1 8 . 1 1 141 141 LEU HA H 141 4.107 4.107 3.880 0.227 18152 5618 1 8 . 1 1 141 141 LEU C C 141 177.236 177.236 176.699 0.537 18152 5619 1 8 . 1 1 141 141 LEU CA C 141 56.169 56.169 55.256 0.913 18152 5620 1 8 . 1 1 141 141 LEU CB C 141 42.408 42.408 41.812 0.597 18152 5621 1 8 . 1 1 141 141 LEU H H 141 7.560 7.560 8.243 -0.683 18152 5622 1 8 . 1 1 142 142 THR N N 142 119.454 119.454 120.022 -0.568 18152 5623 1 8 . 1 1 142 142 THR HA H 142 4.522 4.522 4.358 0.164 18152 5624 1 8 . 1 1 142 142 THR C C 142 175.187 175.187 174.593 0.594 18152 5625 1 8 . 1 1 142 142 THR CA C 142 60.915 60.915 62.022 -1.107 18152 5626 1 8 . 1 1 142 142 THR CB C 142 69.490 69.490 69.609 -0.119 18152 5627 1 8 . 1 1 142 142 THR H H 142 9.562 9.562 8.862 0.700 18152 5628 1 8 . 1 1 143 143 GLY N N 143 109.946 109.946 109.133 0.813 18152 5629 1 8 . 1 1 143 143 GLY C C 143 170.713 170.713 172.137 -1.424 18152 5630 1 8 . 1 1 143 143 GLY CA C 143 45.254 45.254 43.816 1.438 18152 5631 1 8 . 1 1 143 143 GLY H H 143 7.513 7.513 7.590 -0.077 18152 5632 1 8 . 1 1 144 144 SER N N 144 112.778 112.778 114.816 -2.038 18152 5633 1 8 . 1 1 144 144 SER HA H 144 5.059 5.059 4.942 0.117 18152 5634 1 8 . 1 1 144 144 SER C C 144 173.178 173.178 172.468 0.710 18152 5635 1 8 . 1 1 144 144 SER CA C 144 56.393 56.393 56.194 0.199 18152 5636 1 8 . 1 1 144 144 SER CB C 144 65.587 65.587 66.068 -0.481 18152 5637 1 8 . 1 1 144 144 SER H H 144 7.877 7.877 7.957 -0.080 18152 5638 1 8 . 1 1 145 145 TYR N N 145 119.351 119.351 121.877 -2.526 18152 5639 1 8 . 1 1 145 145 TYR HA H 145 4.755 4.755 4.706 0.049 18152 5640 1 8 . 1 1 145 145 TYR C C 145 174.580 174.580 174.668 -0.088 18152 5641 1 8 . 1 1 145 145 TYR CA C 145 56.413 56.413 56.561 -0.148 18152 5642 1 8 . 1 1 145 145 TYR CB C 145 40.096 40.096 43.405 -3.309 18152 5643 1 8 . 1 1 145 145 TYR H H 145 8.374 8.374 8.898 -0.524 18152 5644 1 8 . 1 1 146 146 SER N N 146 117.533 117.533 115.752 1.781 18152 5645 1 8 . 1 1 146 146 SER HA H 146 4.564 4.564 4.637 -0.073 18152 5646 1 8 . 1 1 146 146 SER CA C 146 58.000 58.000 57.215 0.785 18152 5647 1 8 . 1 1 146 146 SER CB C 146 63.905 63.905 64.961 -1.056 18152 5648 1 8 . 1 1 146 146 SER H H 146 8.502 8.502 8.623 -0.121 18152 5649 1 9 . 1 1 7 7 GLN N N 7 122.485 122.485 119.372 3.113 18152 5650 1 9 . 1 1 7 7 GLN CA C 7 55.218 55.218 57.302 -2.084 18152 5651 1 9 . 1 1 7 7 GLN CB C 7 28.842 28.842 28.025 0.817 18152 5652 1 9 . 1 1 7 7 GLN H H 7 8.175 8.175 8.622 -0.447 18152 5653 1 9 . 1 1 8 8 THR N N 8 115.244 115.244 117.071 -1.827 18152 5654 1 9 . 1 1 8 8 THR HA H 8 4.189 4.189 4.397 -0.208 18152 5655 1 9 . 1 1 8 8 THR C C 8 173.961 173.961 173.374 0.587 18152 5656 1 9 . 1 1 8 8 THR CA C 8 61.486 61.486 61.594 -0.108 18152 5657 1 9 . 1 1 8 8 THR CB C 8 69.316 69.316 70.162 -0.846 18152 5658 1 9 . 1 1 8 8 THR H H 8 8.027 8.027 8.008 0.019 18152 5659 1 9 . 1 1 9 9 GLU N N 9 123.496 123.496 119.429 4.067 18152 5660 1 9 . 1 1 9 9 GLU HA H 9 4.060 4.060 3.878 0.182 18152 5661 1 9 . 1 1 9 9 GLU C C 9 175.555 175.555 174.614 0.941 18152 5662 1 9 . 1 1 9 9 GLU CA C 9 55.868 55.868 57.174 -1.306 18152 5663 1 9 . 1 1 9 9 GLU CB C 9 29.611 29.611 29.602 0.009 18152 5664 1 9 . 1 1 9 9 GLU H H 9 8.225 8.225 8.474 -0.249 18152 5665 1 9 . 1 1 10 10 HIS N N 10 119.084 119.084 119.804 -0.720 18152 5666 1 9 . 1 1 10 10 HIS HA H 10 4.384 4.384 4.465 -0.081 18152 5667 1 9 . 1 1 10 10 HIS C C 10 173.742 173.742 174.728 -0.986 18152 5668 1 9 . 1 1 10 10 HIS CA C 10 53.932 53.932 55.878 -1.946 18152 5669 1 9 . 1 1 10 10 HIS CB C 10 28.922 28.922 29.472 -0.550 18152 5670 1 9 . 1 1 10 10 HIS H H 10 7.357 7.357 8.420 -1.063 18152 5671 1 9 . 1 1 11 11 LYS N N 11 121.509 121.509 126.087 -4.578 18152 5672 1 9 . 1 1 11 11 LYS HA H 11 4.469 4.469 4.719 -0.250 18152 5673 1 9 . 1 1 11 11 LYS C C 11 176.210 176.210 175.611 0.599 18152 5674 1 9 . 1 1 11 11 LYS CA C 11 54.245 54.245 55.215 -0.970 18152 5675 1 9 . 1 1 11 11 LYS CB C 11 33.548 33.548 35.024 -1.476 18152 5676 1 9 . 1 1 11 11 LYS H H 11 8.409 8.409 8.151 0.258 18152 5677 1 9 . 1 1 12 12 GLU N N 12 123.025 123.025 125.236 -2.211 18152 5678 1 9 . 1 1 12 12 GLU HA H 12 4.240 4.240 4.459 -0.219 18152 5679 1 9 . 1 1 12 12 GLU C C 12 178.023 178.023 177.521 0.502 18152 5680 1 9 . 1 1 12 12 GLU CA C 12 58.350 58.350 57.219 1.131 18152 5681 1 9 . 1 1 12 12 GLU CB C 12 29.254 29.254 29.586 -0.332 18152 5682 1 9 . 1 1 12 12 GLU H H 12 8.929 8.929 9.011 -0.082 18152 5683 1 9 . 1 1 13 13 GLY N N 13 113.216 113.216 111.795 1.421 18152 5684 1 9 . 1 1 13 13 GLY C C 13 174.141 174.141 174.098 0.043 18152 5685 1 9 . 1 1 13 13 GLY CA C 13 45.243 45.243 45.181 0.062 18152 5686 1 9 . 1 1 13 13 GLY H H 13 9.714 9.714 9.197 0.517 18152 5687 1 9 . 1 1 14 14 GLU N N 14 120.782 120.782 121.203 -0.421 18152 5688 1 9 . 1 1 14 14 GLU HA H 14 4.472 4.472 4.710 -0.238 18152 5689 1 9 . 1 1 14 14 GLU C C 14 176.436 176.436 175.754 0.682 18152 5690 1 9 . 1 1 14 14 GLU CA C 14 55.641 55.641 54.568 1.073 18152 5691 1 9 . 1 1 14 14 GLU CB C 14 30.989 30.989 31.951 -0.962 18152 5692 1 9 . 1 1 14 14 GLU H H 14 8.289 8.289 7.788 0.501 18152 5693 1 9 . 1 1 15 15 LYS N N 15 125.126 125.126 127.734 -2.608 18152 5694 1 9 . 1 1 15 15 LYS HA H 15 4.100 4.100 3.806 0.294 18152 5695 1 9 . 1 1 15 15 LYS C C 15 176.970 176.970 176.422 0.548 18152 5696 1 9 . 1 1 15 15 LYS CA C 15 57.098 57.098 57.742 -0.644 18152 5697 1 9 . 1 1 15 15 LYS CB C 15 31.680 31.680 32.099 -0.419 18152 5698 1 9 . 1 1 15 15 LYS H H 15 8.978 8.978 9.075 -0.097 18152 5699 1 9 . 1 1 16 16 VAL N N 16 119.214 119.214 121.306 -2.092 18152 5700 1 9 . 1 1 16 16 VAL HA H 16 4.572 4.572 4.215 0.357 18152 5701 1 9 . 1 1 16 16 VAL C C 16 174.148 174.148 174.020 0.128 18152 5702 1 9 . 1 1 16 16 VAL CA C 16 60.141 60.141 61.492 -1.351 18152 5703 1 9 . 1 1 16 16 VAL CB C 16 34.881 34.881 33.465 1.417 18152 5704 1 9 . 1 1 16 16 VAL H H 16 8.976 8.976 8.351 0.625 18152 5705 1 9 . 1 1 17 17 ALA N N 17 121.368 121.368 120.709 0.659 18152 5706 1 9 . 1 1 17 17 ALA HA H 17 5.186 5.186 4.890 0.296 18152 5707 1 9 . 1 1 17 17 ALA C C 17 174.664 174.664 174.719 -0.055 18152 5708 1 9 . 1 1 17 17 ALA CA C 17 51.098 51.098 50.034 1.064 18152 5709 1 9 . 1 1 17 17 ALA CB C 17 22.853 22.853 22.519 0.334 18152 5710 1 9 . 1 1 17 17 ALA H H 17 8.069 8.069 7.451 0.618 18152 5711 1 9 . 1 1 18 18 MET N N 18 116.475 116.475 118.825 -2.350 18152 5712 1 9 . 1 1 18 18 MET HA H 18 5.303 5.303 4.992 0.311 18152 5713 1 9 . 1 1 18 18 MET C C 18 174.413 174.413 174.031 0.382 18152 5714 1 9 . 1 1 18 18 MET CA C 18 53.607 53.607 54.012 -0.405 18152 5715 1 9 . 1 1 18 18 MET CB C 18 35.038 35.038 37.634 -2.596 18152 5716 1 9 . 1 1 18 18 MET H H 18 8.142 8.142 8.170 -0.028 18152 5717 1 9 . 1 1 19 19 LEU N N 19 126.244 126.244 126.519 -0.275 18152 5718 1 9 . 1 1 19 19 LEU HA H 19 5.268 5.268 5.463 -0.195 18152 5719 1 9 . 1 1 19 19 LEU C C 19 173.617 173.617 174.454 -0.837 18152 5720 1 9 . 1 1 19 19 LEU CA C 19 52.851 52.851 53.193 -0.342 18152 5721 1 9 . 1 1 19 19 LEU CB C 19 44.705 44.705 44.691 0.014 18152 5722 1 9 . 1 1 19 19 LEU H H 19 9.369 9.369 9.407 -0.038 18152 5723 1 9 . 1 1 20 20 ASN N N 20 126.596 126.596 125.576 1.020 18152 5724 1 9 . 1 1 20 20 ASN HA H 20 5.340 5.340 5.400 -0.060 18152 5725 1 9 . 1 1 20 20 ASN C C 20 174.316 174.316 174.024 0.292 18152 5726 1 9 . 1 1 20 20 ASN CA C 20 51.344 51.344 52.583 -1.239 18152 5727 1 9 . 1 1 20 20 ASN CB C 20 40.972 40.972 41.950 -0.978 18152 5728 1 9 . 1 1 20 20 ASN H H 20 10.032 10.032 9.139 0.893 18152 5729 1 9 . 1 1 21 21 ILE N N 21 123.799 123.799 125.400 -1.601 18152 5730 1 9 . 1 1 21 21 ILE HA H 21 4.829 4.829 5.044 -0.215 18152 5731 1 9 . 1 1 21 21 ILE C C 21 174.409 174.409 174.606 -0.197 18152 5732 1 9 . 1 1 21 21 ILE CA C 21 58.243 58.243 58.062 0.181 18152 5733 1 9 . 1 1 21 21 ILE CB C 21 37.477 37.477 37.810 -0.334 18152 5734 1 9 . 1 1 21 21 ILE H H 21 8.614 8.614 9.230 -0.616 18152 5735 1 9 . 1 1 22 22 PRO HA H 22 4.178 4.178 4.214 -0.036 18152 5736 1 9 . 1 1 22 22 PRO CA C 22 65.629 65.629 65.590 0.039 18152 5737 1 9 . 1 1 22 22 PRO CB C 22 31.806 31.806 31.825 -0.019 18152 5738 1 9 . 1 1 23 23 LYS N N 23 118.170 118.170 118.190 -0.020 18152 5739 1 9 . 1 1 23 23 LYS HA H 23 3.943 3.943 4.089 -0.146 18152 5740 1 9 . 1 1 23 23 LYS C C 23 177.231 177.231 177.604 -0.373 18152 5741 1 9 . 1 1 23 23 LYS CA C 23 58.643 58.643 59.155 -0.512 18152 5742 1 9 . 1 1 23 23 LYS CB C 23 33.171 33.171 32.546 0.625 18152 5743 1 9 . 1 1 23 23 LYS H H 23 9.365 9.365 8.155 1.210 18152 5744 1 9 . 1 1 24 24 LEU N N 24 111.984 111.984 116.587 -4.603 18152 5745 1 9 . 1 1 24 24 LEU HA H 24 4.319 4.319 4.517 -0.198 18152 5746 1 9 . 1 1 24 24 LEU C C 24 175.562 175.562 176.273 -0.711 18152 5747 1 9 . 1 1 24 24 LEU CA C 24 52.965 52.965 54.473 -1.508 18152 5748 1 9 . 1 1 24 24 LEU CB C 24 42.473 42.473 41.400 1.073 18152 5749 1 9 . 1 1 24 24 LEU H H 24 6.919 6.919 7.893 -0.974 18152 5750 1 9 . 1 1 25 25 LYS N N 25 115.814 115.814 115.919 -0.105 18152 5751 1 9 . 1 1 25 25 LYS HA H 25 3.849 3.849 3.909 -0.060 18152 5752 1 9 . 1 1 25 25 LYS C C 25 175.297 175.297 175.912 -0.615 18152 5753 1 9 . 1 1 25 25 LYS CA C 25 56.598 56.598 57.458 -0.860 18152 5754 1 9 . 1 1 25 25 LYS CB C 25 28.918 28.918 29.405 -0.487 18152 5755 1 9 . 1 1 25 25 LYS H H 25 7.912 7.912 8.267 -0.355 18152 5756 1 9 . 1 1 26 26 LYS N N 26 115.145 115.145 119.413 -4.268 18152 5757 1 9 . 1 1 26 26 LYS HA H 26 4.559 4.559 4.444 0.115 18152 5758 1 9 . 1 1 26 26 LYS C C 26 173.961 173.961 174.814 -0.853 18152 5759 1 9 . 1 1 26 26 LYS CA C 26 53.788 53.788 54.974 -1.186 18152 5760 1 9 . 1 1 26 26 LYS CB C 26 37.483 37.483 36.209 1.274 18152 5761 1 9 . 1 1 26 26 LYS H H 26 6.765 6.765 8.011 -1.246 18152 5762 1 9 . 1 1 27 27 LYS N N 27 119.758 119.758 118.686 1.072 18152 5763 1 9 . 1 1 27 27 LYS HA H 27 5.452 5.452 5.383 0.069 18152 5764 1 9 . 1 1 27 27 LYS C C 27 175.482 175.482 175.261 0.221 18152 5765 1 9 . 1 1 27 27 LYS CA C 27 53.883 53.883 55.203 -1.320 18152 5766 1 9 . 1 1 27 27 LYS CB C 27 35.855 35.855 36.213 -0.358 18152 5767 1 9 . 1 1 27 27 LYS H H 27 7.885 7.885 8.028 -0.143 18152 5768 1 9 . 1 1 28 28 PHE N N 28 119.077 119.077 121.242 -2.165 18152 5769 1 9 . 1 1 28 28 PHE HA H 28 4.871 4.871 4.891 -0.020 18152 5770 1 9 . 1 1 28 28 PHE C C 28 175.477 175.477 173.723 1.754 18152 5771 1 9 . 1 1 28 28 PHE CA C 28 56.100 56.100 57.027 -0.927 18152 5772 1 9 . 1 1 28 28 PHE CB C 28 42.734 42.734 44.433 -1.699 18152 5773 1 9 . 1 1 28 28 PHE H H 28 9.397 9.397 9.440 -0.043 18152 5774 1 9 . 1 1 29 29 SER N N 29 121.189 121.189 117.859 3.330 18152 5775 1 9 . 1 1 29 29 SER HA H 29 4.848 4.848 4.746 0.102 18152 5776 1 9 . 1 1 29 29 SER C C 29 172.010 172.010 173.585 -1.575 18152 5777 1 9 . 1 1 29 29 SER CA C 29 59.961 59.961 57.739 2.222 18152 5778 1 9 . 1 1 29 29 SER CB C 29 64.433 64.433 63.625 0.808 18152 5779 1 9 . 1 1 29 29 SER H H 29 9.010 9.010 8.774 0.236 18152 5780 1 9 . 1 1 30 30 ILE N N 30 120.881 120.881 124.375 -3.494 18152 5781 1 9 . 1 1 30 30 ILE HA H 30 4.942 4.942 4.167 0.775 18152 5782 1 9 . 1 1 30 30 ILE C C 30 174.874 174.874 174.890 -0.016 18152 5783 1 9 . 1 1 30 30 ILE CA C 30 57.775 57.775 59.144 -1.369 18152 5784 1 9 . 1 1 30 30 ILE CB C 30 38.001 38.001 37.022 0.979 18152 5785 1 9 . 1 1 30 30 ILE H H 30 8.084 8.084 8.441 -0.357 18152 5786 1 9 . 1 1 31 31 TYR N N 31 127.573 127.573 126.804 0.769 18152 5787 1 9 . 1 1 31 31 TYR HA H 31 5.299 5.299 4.721 0.578 18152 5788 1 9 . 1 1 31 31 TYR C C 31 174.806 174.806 175.432 -0.626 18152 5789 1 9 . 1 1 31 31 TYR CA C 31 56.120 56.120 56.595 -0.475 18152 5790 1 9 . 1 1 31 31 TYR CB C 31 41.139 41.139 40.504 0.635 18152 5791 1 9 . 1 1 31 31 TYR H H 31 9.174 9.174 8.479 0.695 18152 5792 1 9 . 1 1 32 32 TRP N N 32 121.993 121.993 125.250 -3.257 18152 5793 1 9 . 1 1 32 32 TRP HA H 32 4.583 4.583 4.461 0.122 18152 5794 1 9 . 1 1 32 32 TRP C C 32 175.194 175.194 176.034 -0.840 18152 5795 1 9 . 1 1 32 32 TRP CA C 32 57.396 57.396 59.611 -2.215 18152 5796 1 9 . 1 1 32 32 TRP CB C 32 29.670 29.670 30.608 -0.938 18152 5797 1 9 . 1 1 32 32 TRP H H 32 9.007 9.007 8.655 0.352 18152 5798 1 9 . 1 1 33 33 GLY N N 33 120.470 120.470 113.710 6.760 18152 5799 1 9 . 1 1 33 33 GLY C C 33 171.936 171.936 172.027 -0.091 18152 5800 1 9 . 1 1 33 33 GLY CA C 33 44.532 44.532 44.328 0.205 18152 5801 1 9 . 1 1 33 33 GLY H H 33 7.758 7.758 7.382 0.376 18152 5802 1 9 . 1 1 34 34 ALA N N 34 120.239 120.239 122.566 -2.327 18152 5803 1 9 . 1 1 34 34 ALA HA H 34 4.447 4.447 4.613 -0.166 18152 5804 1 9 . 1 1 34 34 ALA C C 34 176.174 176.174 176.378 -0.204 18152 5805 1 9 . 1 1 34 34 ALA CA C 34 49.913 49.913 51.404 -1.491 18152 5806 1 9 . 1 1 34 34 ALA CB C 34 18.955 18.955 21.515 -2.560 18152 5807 1 9 . 1 1 34 34 ALA H H 34 7.883 7.883 8.041 -0.158 18152 5808 1 9 . 1 1 35 35 ASP N N 35 118.828 118.828 125.848 -7.020 18152 5809 1 9 . 1 1 35 35 ASP HA H 35 4.450 4.450 4.748 -0.298 18152 5810 1 9 . 1 1 35 35 ASP C C 35 175.990 175.990 176.142 -0.152 18152 5811 1 9 . 1 1 35 35 ASP CA C 35 53.030 53.030 53.956 -0.926 18152 5812 1 9 . 1 1 35 35 ASP CB C 35 41.508 41.508 41.291 0.217 18152 5813 1 9 . 1 1 35 35 ASP H H 35 7.944 7.944 8.588 -0.644 18152 5814 1 9 . 1 1 36 36 ASP N N 36 121.051 121.051 123.386 -2.335 18152 5815 1 9 . 1 1 36 36 ASP HA H 36 4.335 4.335 4.701 -0.366 18152 5816 1 9 . 1 1 36 36 ASP C C 36 177.296 177.296 177.367 -0.071 18152 5817 1 9 . 1 1 36 36 ASP CA C 36 55.183 55.183 55.772 -0.589 18152 5818 1 9 . 1 1 36 36 ASP CB C 36 39.837 39.837 40.860 -1.023 18152 5819 1 9 . 1 1 36 36 ASP H H 36 8.509 8.509 8.295 0.214 18152 5820 1 9 . 1 1 37 37 ALA N N 37 119.568 119.568 123.300 -3.732 18152 5821 1 9 . 1 1 37 37 ALA HA H 37 4.060 4.060 4.296 -0.236 18152 5822 1 9 . 1 1 37 37 ALA C C 37 179.598 179.598 178.187 1.411 18152 5823 1 9 . 1 1 37 37 ALA CA C 37 53.967 53.967 54.036 -0.069 18152 5824 1 9 . 1 1 37 37 ALA CB C 37 18.009 18.009 18.978 -0.969 18152 5825 1 9 . 1 1 37 37 ALA H H 37 8.169 8.169 8.304 -0.135 18152 5826 1 9 . 1 1 38 38 THR HA H 38 3.850 3.850 4.345 -0.495 18152 5827 1 9 . 1 1 38 38 THR CA C 38 68.437 68.437 61.041 7.396 18152 5828 1 9 . 1 1 38 38 THR CB C 38 72.916 72.916 69.803 3.113 18152 5829 1 9 . 1 1 38 38 THR H H 38 7.621 7.621 7.790 -0.169 18152 5830 1 9 . 1 1 42 42 GLY N N 42 106.310 106.310 103.948 2.362 18152 5831 1 9 . 1 1 42 42 GLY CA C 42 46.480 46.480 45.338 1.142 18152 5832 1 9 . 1 1 43 43 VAL N N 43 121.961 121.961 120.913 1.048 18152 5833 1 9 . 1 1 43 43 VAL HA H 43 4.481 4.481 4.409 0.072 18152 5834 1 9 . 1 1 43 43 VAL C C 43 174.308 174.308 173.925 0.383 18152 5835 1 9 . 1 1 43 43 VAL CA C 43 61.079 61.079 61.143 -0.064 18152 5836 1 9 . 1 1 43 43 VAL CB C 43 32.911 32.911 35.789 -2.878 18152 5837 1 9 . 1 1 43 43 VAL H H 43 8.247 8.247 7.670 0.577 18152 5838 1 9 . 1 1 44 44 GLY N N 44 114.325 114.325 111.980 2.345 18152 5839 1 9 . 1 1 44 44 GLY C C 44 172.465 172.465 171.767 0.698 18152 5840 1 9 . 1 1 44 44 GLY CA C 44 43.458 43.458 43.339 0.119 18152 5841 1 9 . 1 1 44 44 GLY H H 44 9.063 9.063 8.259 0.804 18152 5842 1 9 . 1 1 45 45 MET N N 45 125.031 125.031 124.454 0.577 18152 5843 1 9 . 1 1 45 45 MET HA H 45 4.742 4.742 4.951 -0.209 18152 5844 1 9 . 1 1 45 45 MET C C 45 173.873 173.873 174.312 -0.439 18152 5845 1 9 . 1 1 45 45 MET CA C 45 54.084 54.084 54.841 -0.757 18152 5846 1 9 . 1 1 45 45 MET CB C 45 34.548 34.548 35.441 -0.893 18152 5847 1 9 . 1 1 45 45 MET H H 45 8.966 8.966 8.878 0.088 18152 5848 1 9 . 1 1 46 46 PHE N N 46 127.637 127.637 126.910 0.727 18152 5849 1 9 . 1 1 46 46 PHE HA H 46 3.611 3.611 4.228 -0.617 18152 5850 1 9 . 1 1 46 46 PHE C C 46 175.023 175.023 174.076 0.947 18152 5851 1 9 . 1 1 46 46 PHE CA C 46 59.286 59.286 59.331 -0.045 18152 5852 1 9 . 1 1 46 46 PHE CB C 46 40.644 40.644 40.123 0.521 18152 5853 1 9 . 1 1 46 46 PHE H H 46 8.790 8.790 8.237 0.553 18152 5854 1 9 . 1 1 47 47 VAL N N 47 130.695 130.695 126.423 4.272 18152 5855 1 9 . 1 1 47 47 VAL HA H 47 3.663 3.663 3.891 -0.228 18152 5856 1 9 . 1 1 47 47 VAL C C 47 174.235 174.235 174.099 0.136 18152 5857 1 9 . 1 1 47 47 VAL CA C 47 61.455 61.455 61.518 -0.063 18152 5858 1 9 . 1 1 47 47 VAL CB C 47 32.002 32.002 33.247 -1.245 18152 5859 1 9 . 1 1 47 47 VAL H H 47 7.942 7.942 7.334 0.608 18152 5860 1 9 . 1 1 48 48 SER N N 48 120.391 120.391 122.401 -2.010 18152 5861 1 9 . 1 1 48 48 SER HA H 48 4.626 4.626 4.631 -0.005 18152 5862 1 9 . 1 1 48 48 SER C C 48 173.167 173.167 173.650 -0.483 18152 5863 1 9 . 1 1 48 48 SER CA C 48 57.384 57.384 56.828 0.556 18152 5864 1 9 . 1 1 48 48 SER CB C 48 65.720 65.720 66.096 -0.376 18152 5865 1 9 . 1 1 48 48 SER H H 48 7.971 7.971 8.803 -0.832 18152 5866 1 9 . 1 1 49 49 ASP N N 49 117.498 117.498 120.739 -3.241 18152 5867 1 9 . 1 1 49 49 ASP HA H 49 4.603 4.603 4.554 0.049 18152 5868 1 9 . 1 1 49 49 ASP C C 49 174.539 174.539 177.066 -2.527 18152 5869 1 9 . 1 1 49 49 ASP CA C 49 55.222 55.222 56.507 -1.285 18152 5870 1 9 . 1 1 49 49 ASP CB C 49 40.206 40.206 40.491 -0.285 18152 5871 1 9 . 1 1 49 49 ASP H H 49 8.701 8.701 8.777 -0.076 18152 5872 1 9 . 1 1 50 50 VAL N N 50 109.465 109.465 112.764 -3.299 18152 5873 1 9 . 1 1 50 50 VAL HA H 50 4.455 4.455 4.363 0.092 18152 5874 1 9 . 1 1 50 50 VAL C C 50 174.487 174.487 176.495 -2.008 18152 5875 1 9 . 1 1 50 50 VAL CA C 50 60.840 60.840 62.867 -2.027 18152 5876 1 9 . 1 1 50 50 VAL CB C 50 32.067 32.067 31.657 0.410 18152 5877 1 9 . 1 1 50 50 VAL H H 50 7.770 7.770 7.460 0.310 18152 5878 1 9 . 1 1 51 51 THR N N 51 110.572 110.572 116.848 -6.276 18152 5879 1 9 . 1 1 51 51 THR HA H 51 5.293 5.293 4.504 0.789 18152 5880 1 9 . 1 1 51 51 THR C C 51 174.591 174.591 175.216 -0.625 18152 5881 1 9 . 1 1 51 51 THR CA C 51 58.487 58.487 61.606 -3.119 18152 5882 1 9 . 1 1 51 51 THR CB C 51 71.674 71.674 69.590 2.084 18152 5883 1 9 . 1 1 51 51 THR H H 51 7.095 7.095 8.074 -0.979 18152 5884 1 9 . 1 1 52 52 THR N N 52 109.706 109.706 115.983 -6.277 18152 5885 1 9 . 1 1 52 52 THR HA H 52 4.988 4.988 4.783 0.205 18152 5886 1 9 . 1 1 52 52 THR C C 52 177.060 177.060 173.799 3.261 18152 5887 1 9 . 1 1 52 52 THR CA C 52 59.777 59.777 59.922 -0.145 18152 5888 1 9 . 1 1 52 52 THR CB C 52 72.911 72.911 72.038 0.873 18152 5889 1 9 . 1 1 52 52 THR H H 52 8.836 8.836 9.159 -0.323 18152 5890 1 9 . 1 1 53 53 THR N N 53 113.970 113.970 113.365 0.605 18152 5891 1 9 . 1 1 53 53 THR HA H 53 4.601 4.601 4.864 -0.263 18152 5892 1 9 . 1 1 53 53 THR C C 53 176.085 176.085 173.845 2.240 18152 5893 1 9 . 1 1 53 53 THR CA C 53 60.920 60.920 58.602 2.317 18152 5894 1 9 . 1 1 53 53 THR CB C 53 67.192 67.192 69.931 -2.739 18152 5895 1 9 . 1 1 53 53 THR H H 53 8.857 8.857 8.466 0.391 18152 5896 1 9 . 1 1 54 54 PRO HA H 54 4.023 4.023 4.563 -0.540 18152 5897 1 9 . 1 1 54 54 PRO CA C 54 64.658 64.658 62.671 1.987 18152 5898 1 9 . 1 1 54 54 PRO CB C 54 29.665 29.665 29.832 -0.167 18152 5899 1 9 . 1 1 55 55 SER N N 55 105.932 105.932 113.457 -7.525 18152 5900 1 9 . 1 1 55 55 SER HA H 55 4.448 4.448 4.214 0.234 18152 5901 1 9 . 1 1 55 55 SER C C 55 176.253 176.253 173.691 2.562 18152 5902 1 9 . 1 1 55 55 SER CA C 55 58.086 58.086 57.689 0.397 18152 5903 1 9 . 1 1 55 55 SER CB C 55 62.950 62.950 64.954 -2.004 18152 5904 1 9 . 1 1 55 55 SER H H 55 6.879 6.879 7.897 -1.018 18152 5905 1 9 . 1 1 56 56 GLY N N 56 109.826 109.826 108.310 1.516 18152 5906 1 9 . 1 1 56 56 GLY C C 56 175.832 175.832 174.247 1.585 18152 5907 1 9 . 1 1 56 56 GLY CA C 56 45.213 45.213 45.414 -0.201 18152 5908 1 9 . 1 1 56 56 GLY H H 56 7.733 7.733 7.143 0.590 18152 5909 1 9 . 1 1 57 57 GLY N N 57 105.805 105.805 110.835 -5.030 18152 5910 1 9 . 1 1 57 57 GLY C C 57 172.905 172.905 173.601 -0.696 18152 5911 1 9 . 1 1 57 57 GLY CA C 57 46.480 46.480 45.657 0.823 18152 5912 1 9 . 1 1 57 57 GLY H H 57 7.481 7.481 8.673 -1.192 18152 5913 1 9 . 1 1 58 58 GLY N N 58 109.086 109.086 109.118 -0.032 18152 5914 1 9 . 1 1 58 58 GLY C C 58 172.807 172.807 172.690 0.117 18152 5915 1 9 . 1 1 58 58 GLY CA C 58 43.642 43.642 44.626 -0.984 18152 5916 1 9 . 1 1 58 58 GLY H H 58 7.549 7.549 7.838 -0.289 18152 5917 1 9 . 1 1 59 59 HIS N N 59 127.776 127.776 122.993 4.783 18152 5918 1 9 . 1 1 59 59 HIS HA H 59 5.162 5.162 4.800 0.362 18152 5919 1 9 . 1 1 59 59 HIS C C 59 174.930 174.930 174.728 0.202 18152 5920 1 9 . 1 1 59 59 HIS CA C 59 52.820 52.820 54.861 -2.041 18152 5921 1 9 . 1 1 59 59 HIS CB C 59 30.250 30.250 30.258 -0.008 18152 5922 1 9 . 1 1 59 59 HIS H H 59 9.517 9.517 9.102 0.415 18152 5923 1 9 . 1 1 60 60 THR N N 60 127.768 127.768 125.768 2.000 18152 5924 1 9 . 1 1 60 60 THR HA H 60 4.870 4.870 5.033 -0.163 18152 5925 1 9 . 1 1 60 60 THR C C 60 171.847 171.847 173.087 -1.240 18152 5926 1 9 . 1 1 60 60 THR CA C 60 61.358 61.358 61.867 -0.509 18152 5927 1 9 . 1 1 60 60 THR CB C 60 69.821 69.821 69.893 -0.072 18152 5928 1 9 . 1 1 60 60 THR H H 60 9.769 9.769 9.270 0.499 18152 5929 1 9 . 1 1 61 61 VAL N N 61 126.493 126.493 127.526 -1.033 18152 5930 1 9 . 1 1 61 61 VAL HA H 61 4.641 4.641 5.060 -0.419 18152 5931 1 9 . 1 1 61 61 VAL C C 61 173.794 173.794 174.535 -0.741 18152 5932 1 9 . 1 1 61 61 VAL CA C 61 59.808 59.808 60.817 -1.009 18152 5933 1 9 . 1 1 61 61 VAL CB C 61 33.334 33.334 33.787 -0.453 18152 5934 1 9 . 1 1 61 61 VAL H H 61 8.534 8.534 8.772 -0.238 18152 5935 1 9 . 1 1 62 62 LEU N N 62 126.342 126.342 127.921 -1.579 18152 5936 1 9 . 1 1 62 62 LEU HA H 62 5.345 5.345 4.893 0.452 18152 5937 1 9 . 1 1 62 62 LEU C C 62 175.554 175.554 175.391 0.163 18152 5938 1 9 . 1 1 62 62 LEU CA C 62 51.143 51.143 53.239 -2.095 18152 5939 1 9 . 1 1 62 62 LEU CB C 62 43.344 43.344 44.675 -1.331 18152 5940 1 9 . 1 1 62 62 LEU H H 62 9.284 9.284 9.295 -0.011 18152 5941 1 9 . 1 1 63 63 SER N N 63 116.370 116.370 117.040 -0.670 18152 5942 1 9 . 1 1 63 63 SER HA H 63 5.328 5.328 5.677 -0.349 18152 5943 1 9 . 1 1 63 63 SER C C 63 174.576 174.576 173.351 1.225 18152 5944 1 9 . 1 1 63 63 SER CA C 63 54.893 54.893 56.396 -1.503 18152 5945 1 9 . 1 1 63 63 SER CB C 63 64.901 64.901 65.855 -0.954 18152 5946 1 9 . 1 1 63 63 SER H H 63 9.117 9.117 8.963 0.154 18152 5947 1 9 . 1 1 64 64 GLY N N 64 111.783 111.783 111.802 -0.019 18152 5948 1 9 . 1 1 64 64 GLY C C 64 173.058 173.058 172.417 0.641 18152 5949 1 9 . 1 1 64 64 GLY CA C 64 45.547 45.547 45.147 0.400 18152 5950 1 9 . 1 1 64 64 GLY H H 64 8.723 8.723 8.301 0.422 18152 5951 1 9 . 1 1 74 74 GLY C C 74 173.703 173.703 175.392 -1.689 18152 5952 1 9 . 1 1 74 74 GLY CA C 74 45.507 45.507 45.986 -0.479 18152 5953 1 9 . 1 1 75 75 GLN N N 75 116.093 116.093 119.158 -3.065 18152 5954 1 9 . 1 1 75 75 GLN HA H 75 4.229 4.229 4.208 0.021 18152 5955 1 9 . 1 1 75 75 GLN C C 75 177.319 177.319 177.532 -0.213 18152 5956 1 9 . 1 1 75 75 GLN CA C 75 56.016 56.016 57.475 -1.460 18152 5957 1 9 . 1 1 75 75 GLN CB C 75 29.310 29.310 29.268 0.042 18152 5958 1 9 . 1 1 75 75 GLN H H 75 7.598 7.598 8.107 -0.509 18152 5959 1 9 . 1 1 76 76 LEU N N 76 117.894 117.894 119.895 -2.001 18152 5960 1 9 . 1 1 76 76 LEU HA H 76 4.373 4.373 4.386 -0.013 18152 5961 1 9 . 1 1 76 76 LEU C C 76 175.639 175.639 175.542 0.097 18152 5962 1 9 . 1 1 76 76 LEU CA C 76 54.578 54.578 54.899 -0.321 18152 5963 1 9 . 1 1 76 76 LEU CB C 76 41.720 41.720 40.225 1.495 18152 5964 1 9 . 1 1 76 76 LEU H H 76 7.285 7.285 7.566 -0.281 18152 5965 1 9 . 1 1 77 77 LYS N N 77 122.287 122.287 121.002 1.285 18152 5966 1 9 . 1 1 77 77 LYS HA H 77 4.545 4.545 4.471 0.074 18152 5967 1 9 . 1 1 77 77 LYS C C 77 175.553 175.553 175.644 -0.091 18152 5968 1 9 . 1 1 77 77 LYS CA C 77 53.336 53.336 55.974 -2.638 18152 5969 1 9 . 1 1 77 77 LYS CB C 77 36.380 36.380 34.447 1.933 18152 5970 1 9 . 1 1 77 77 LYS H H 77 9.513 9.513 7.681 1.832 18152 5971 1 9 . 1 1 78 78 GLU N N 78 118.949 118.949 122.438 -3.489 18152 5972 1 9 . 1 1 78 78 GLU HA H 78 3.523 3.523 4.223 -0.700 18152 5973 1 9 . 1 1 78 78 GLU C C 78 177.053 177.053 176.757 0.296 18152 5974 1 9 . 1 1 78 78 GLU CA C 78 59.205 59.205 58.438 0.767 18152 5975 1 9 . 1 1 78 78 GLU CB C 78 28.284 28.284 29.727 -1.443 18152 5976 1 9 . 1 1 78 78 GLU H H 78 8.900 8.900 8.998 -0.098 18152 5977 1 9 . 1 1 79 79 LYS N N 79 114.843 114.843 117.049 -2.206 18152 5978 1 9 . 1 1 79 79 LYS HA H 79 3.751 3.751 4.268 -0.517 18152 5979 1 9 . 1 1 79 79 LYS C C 79 176.434 176.434 176.762 -0.328 18152 5980 1 9 . 1 1 79 79 LYS CA C 79 59.231 59.231 56.571 2.660 18152 5981 1 9 . 1 1 79 79 LYS CB C 79 29.657 29.657 32.233 -2.576 18152 5982 1 9 . 1 1 79 79 LYS H H 79 8.909 8.909 7.870 1.039 18152 5983 1 9 . 1 1 80 80 ASP N N 80 119.664 119.664 121.220 -1.556 18152 5984 1 9 . 1 1 80 80 ASP HA H 80 4.946 4.946 4.644 0.302 18152 5985 1 9 . 1 1 80 80 ASP C C 80 175.886 175.886 174.850 1.036 18152 5986 1 9 . 1 1 80 80 ASP CA C 80 55.661 55.661 55.252 0.409 18152 5987 1 9 . 1 1 80 80 ASP CB C 80 41.782 41.782 41.755 0.027 18152 5988 1 9 . 1 1 80 80 ASP H H 80 8.052 8.052 7.633 0.419 18152 5989 1 9 . 1 1 81 81 THR N N 81 111.597 111.597 113.650 -2.053 18152 5990 1 9 . 1 1 81 81 THR HA H 81 5.321 5.321 4.908 0.413 18152 5991 1 9 . 1 1 81 81 THR C C 81 174.221 174.221 173.427 0.794 18152 5992 1 9 . 1 1 81 81 THR CA C 81 61.103 61.103 60.954 0.149 18152 5993 1 9 . 1 1 81 81 THR CB C 81 71.264 71.264 71.777 -0.513 18152 5994 1 9 . 1 1 81 81 THR H H 81 8.083 8.083 8.223 -0.140 18152 5995 1 9 . 1 1 82 82 LEU N N 82 120.358 120.358 124.884 -4.526 18152 5996 1 9 . 1 1 82 82 LEU HA H 82 4.836 4.836 4.885 -0.049 18152 5997 1 9 . 1 1 82 82 LEU C C 82 174.850 174.850 175.710 -0.860 18152 5998 1 9 . 1 1 82 82 LEU CA C 82 53.721 53.721 53.803 -0.082 18152 5999 1 9 . 1 1 82 82 LEU CB C 82 45.655 45.655 44.183 1.472 18152 6000 1 9 . 1 1 82 82 LEU H H 82 8.684 8.684 8.631 0.053 18152 6001 1 9 . 1 1 83 83 VAL N N 83 121.834 121.834 123.926 -2.092 18152 6002 1 9 . 1 1 83 83 VAL HA H 83 5.269 5.269 5.327 -0.058 18152 6003 1 9 . 1 1 83 83 VAL C C 83 174.766 174.766 175.245 -0.479 18152 6004 1 9 . 1 1 83 83 VAL CA C 83 61.157 61.157 60.266 0.891 18152 6005 1 9 . 1 1 83 83 VAL CB C 83 34.923 34.923 32.914 2.009 18152 6006 1 9 . 1 1 83 83 VAL H H 83 8.670 8.670 9.048 -0.378 18152 6007 1 9 . 1 1 84 84 LEU N N 84 129.811 129.811 128.765 1.046 18152 6008 1 9 . 1 1 84 84 LEU HA H 84 5.647 5.647 5.325 0.322 18152 6009 1 9 . 1 1 84 84 LEU C C 84 175.644 175.644 176.092 -0.448 18152 6010 1 9 . 1 1 84 84 LEU CA C 84 53.160 53.160 53.570 -0.410 18152 6011 1 9 . 1 1 84 84 LEU CB C 84 46.815 46.815 44.943 1.872 18152 6012 1 9 . 1 1 84 84 LEU H H 84 10.025 10.025 9.646 0.379 18152 6013 1 9 . 1 1 85 85 GLU N N 85 125.273 125.273 123.890 1.383 18152 6014 1 9 . 1 1 85 85 GLU HA H 85 5.293 5.293 5.346 -0.053 18152 6015 1 9 . 1 1 85 85 GLU C C 85 175.910 175.910 175.526 0.384 18152 6016 1 9 . 1 1 85 85 GLU CA C 85 54.716 54.716 55.422 -0.706 18152 6017 1 9 . 1 1 85 85 GLU CB C 85 30.904 30.904 31.237 -0.333 18152 6018 1 9 . 1 1 85 85 GLU H H 85 9.117 9.117 9.036 0.081 18152 6019 1 9 . 1 1 86 86 TYR N N 86 125.299 125.299 126.531 -1.232 18152 6020 1 9 . 1 1 86 86 TYR HA H 86 4.825 4.825 4.784 0.041 18152 6021 1 9 . 1 1 86 86 TYR C C 86 174.077 174.077 174.490 -0.413 18152 6022 1 9 . 1 1 86 86 TYR CA C 86 57.516 57.516 57.842 -0.326 18152 6023 1 9 . 1 1 86 86 TYR CB C 86 41.720 41.720 42.488 -0.768 18152 6024 1 9 . 1 1 86 86 TYR H H 86 9.056 9.056 9.335 -0.279 18152 6025 1 9 . 1 1 87 87 ASP N N 87 131.006 131.006 128.359 2.647 18152 6026 1 9 . 1 1 87 87 ASP HA H 87 3.921 3.921 4.382 -0.461 18152 6027 1 9 . 1 1 87 87 ASP C C 87 171.773 171.773 175.779 -4.006 18152 6028 1 9 . 1 1 87 87 ASP CA C 87 54.613 54.613 55.235 -0.622 18152 6029 1 9 . 1 1 87 87 ASP CB C 87 39.659 39.659 39.535 0.124 18152 6030 1 9 . 1 1 87 87 ASP H H 87 9.071 9.071 9.492 -0.421 18152 6031 1 9 . 1 1 88 88 ASN N N 88 109.843 109.843 109.638 0.205 18152 6032 1 9 . 1 1 88 88 ASN HA H 88 4.159 4.159 4.316 -0.157 18152 6033 1 9 . 1 1 88 88 ASN C C 88 173.995 173.995 174.199 -0.204 18152 6034 1 9 . 1 1 88 88 ASN CA C 88 54.528 54.528 55.021 -0.493 18152 6035 1 9 . 1 1 88 88 ASN CB C 88 37.383 37.383 37.783 -0.400 18152 6036 1 9 . 1 1 88 88 ASN H H 88 8.613 8.613 8.829 -0.216 18152 6037 1 9 . 1 1 89 89 LYS N N 89 119.021 119.021 118.745 0.276 18152 6038 1 9 . 1 1 89 89 LYS HA H 89 4.714 4.714 4.877 -0.163 18152 6039 1 9 . 1 1 89 89 LYS C C 89 174.644 174.644 175.496 -0.852 18152 6040 1 9 . 1 1 89 89 LYS CA C 89 55.133 55.133 55.746 -0.613 18152 6041 1 9 . 1 1 89 89 LYS CB C 89 36.460 36.460 36.529 -0.069 18152 6042 1 9 . 1 1 89 89 LYS H H 89 7.903 7.903 7.633 0.270 18152 6043 1 9 . 1 1 90 90 THR N N 90 117.141 117.141 120.227 -3.086 18152 6044 1 9 . 1 1 90 90 THR HA H 90 4.819 4.819 5.416 -0.597 18152 6045 1 9 . 1 1 90 90 THR C C 90 172.823 172.823 173.879 -1.056 18152 6046 1 9 . 1 1 90 90 THR CA C 90 61.745 61.745 62.002 -0.257 18152 6047 1 9 . 1 1 90 90 THR CB C 90 69.709 69.709 70.074 -0.365 18152 6048 1 9 . 1 1 90 90 THR H H 90 8.451 8.451 8.960 -0.509 18152 6049 1 9 . 1 1 91 91 TYR N N 91 127.333 127.333 127.695 -0.362 18152 6050 1 9 . 1 1 91 91 TYR HA H 91 4.620 4.620 4.644 -0.024 18152 6051 1 9 . 1 1 91 91 TYR C C 91 174.313 174.313 175.464 -1.151 18152 6052 1 9 . 1 1 91 91 TYR CA C 91 56.764 56.764 57.316 -0.552 18152 6053 1 9 . 1 1 91 91 TYR CB C 91 41.054 41.054 40.413 0.641 18152 6054 1 9 . 1 1 91 91 TYR H H 91 9.552 9.552 10.012 -0.460 18152 6055 1 9 . 1 1 92 92 THR N N 92 117.709 117.709 120.107 -2.398 18152 6056 1 9 . 1 1 92 92 THR HA H 92 4.941 4.941 4.743 0.198 18152 6057 1 9 . 1 1 92 92 THR C C 92 172.464 172.464 173.408 -0.944 18152 6058 1 9 . 1 1 92 92 THR CA C 92 61.320 61.320 62.010 -0.690 18152 6059 1 9 . 1 1 92 92 THR CB C 92 69.546 69.546 69.101 0.445 18152 6060 1 9 . 1 1 92 92 THR H H 92 8.705 8.705 9.264 -0.559 18152 6061 1 9 . 1 1 93 93 TYR N N 93 122.946 122.946 125.751 -2.805 18152 6062 1 9 . 1 1 93 93 TYR HA H 93 5.431 5.431 5.568 -0.137 18152 6063 1 9 . 1 1 93 93 TYR C C 93 174.846 174.846 175.639 -0.793 18152 6064 1 9 . 1 1 93 93 TYR CA C 93 55.804 55.804 56.396 -0.592 18152 6065 1 9 . 1 1 93 93 TYR CB C 93 42.627 42.627 43.008 -0.381 18152 6066 1 9 . 1 1 93 93 TYR H H 93 9.381 9.381 9.519 -0.138 18152 6067 1 9 . 1 1 94 94 GLU N N 94 121.240 121.240 120.311 0.929 18152 6068 1 9 . 1 1 94 94 GLU HA H 94 4.901 4.901 5.040 -0.139 18152 6069 1 9 . 1 1 94 94 GLU C C 94 177.060 177.060 175.287 1.773 18152 6070 1 9 . 1 1 94 94 GLU CA C 94 54.073 54.073 54.569 -0.496 18152 6071 1 9 . 1 1 94 94 GLU CB C 94 33.787 33.787 34.488 -0.701 18152 6072 1 9 . 1 1 94 94 GLU H H 94 9.100 9.100 9.026 0.074 18152 6073 1 9 . 1 1 95 95 ILE N N 95 128.525 128.525 127.252 1.273 18152 6074 1 9 . 1 1 95 95 ILE HA H 95 3.737 3.737 4.261 -0.524 18152 6075 1 9 . 1 1 95 95 ILE C C 95 176.261 176.261 175.854 0.407 18152 6076 1 9 . 1 1 95 95 ILE CA C 95 64.664 64.664 63.067 1.597 18152 6077 1 9 . 1 1 95 95 ILE CB C 95 37.472 37.472 37.415 0.057 18152 6078 1 9 . 1 1 95 95 ILE H H 95 9.293 9.293 8.595 0.698 18152 6079 1 9 . 1 1 96 96 GLN N N 96 127.221 127.221 126.634 0.587 18152 6080 1 9 . 1 1 96 96 GLN HA H 96 4.831 4.831 4.373 0.458 18152 6081 1 9 . 1 1 96 96 GLN C C 96 174.674 174.674 176.152 -1.478 18152 6082 1 9 . 1 1 96 96 GLN CA C 96 54.632 54.632 56.872 -2.240 18152 6083 1 9 . 1 1 96 96 GLN CB C 96 31.165 31.165 30.739 0.426 18152 6084 1 9 . 1 1 96 96 GLN H H 96 10.106 10.106 8.384 1.722 18152 6085 1 9 . 1 1 97 97 LYS N N 97 120.717 120.717 118.698 2.019 18152 6086 1 9 . 1 1 97 97 LYS HA H 97 4.658 4.658 4.824 -0.166 18152 6087 1 9 . 1 1 97 97 LYS C C 97 173.200 173.200 174.017 -0.817 18152 6088 1 9 . 1 1 97 97 LYS CA C 97 56.528 56.528 56.361 0.167 18152 6089 1 9 . 1 1 97 97 LYS CB C 97 36.462 36.462 36.030 0.432 18152 6090 1 9 . 1 1 97 97 LYS H H 97 7.958 7.958 7.519 0.439 18152 6091 1 9 . 1 1 98 98 ILE N N 98 125.089 125.089 124.609 0.480 18152 6092 1 9 . 1 1 98 98 ILE HA H 98 5.221 5.221 4.722 0.499 18152 6093 1 9 . 1 1 98 98 ILE C C 98 175.821 175.821 175.742 0.079 18152 6094 1 9 . 1 1 98 98 ILE CA C 98 60.078 60.078 60.222 -0.144 18152 6095 1 9 . 1 1 98 98 ILE CB C 98 42.082 42.082 39.890 2.192 18152 6096 1 9 . 1 1 98 98 ILE H H 98 8.458 8.458 8.696 -0.238 18152 6097 1 9 . 1 1 99 99 TRP N N 99 129.003 129.003 127.662 1.341 18152 6098 1 9 . 1 1 99 99 TRP HA H 99 4.661 4.661 5.011 -0.350 18152 6099 1 9 . 1 1 99 99 TRP C C 99 170.353 170.353 172.789 -2.436 18152 6100 1 9 . 1 1 99 99 TRP CA C 99 56.388 56.388 55.582 0.806 18152 6101 1 9 . 1 1 99 99 TRP CB C 99 31.158 31.158 30.650 0.508 18152 6102 1 9 . 1 1 99 99 TRP H H 99 9.291 9.291 8.289 1.002 18152 6103 1 9 . 1 1 100 100 ILE N N 100 117.739 117.739 120.036 -2.297 18152 6104 1 9 . 1 1 100 100 ILE HA H 100 4.616 4.616 4.869 -0.253 18152 6105 1 9 . 1 1 100 100 ILE C C 100 176.258 176.258 175.384 0.874 18152 6106 1 9 . 1 1 100 100 ILE CA C 100 58.973 58.973 60.165 -1.192 18152 6107 1 9 . 1 1 100 100 ILE CB C 100 40.734 40.734 40.544 0.190 18152 6108 1 9 . 1 1 100 100 ILE H H 100 7.778 7.778 8.388 -0.610 18152 6109 1 9 . 1 1 101 101 THR N N 101 120.676 120.676 120.220 0.456 18152 6110 1 9 . 1 1 101 101 THR HA H 101 4.755 4.755 4.756 -0.001 18152 6111 1 9 . 1 1 101 101 THR C C 101 172.069 172.069 172.875 -0.806 18152 6112 1 9 . 1 1 101 101 THR CA C 101 57.557 57.557 59.403 -1.845 18152 6113 1 9 . 1 1 101 101 THR CB C 101 70.656 70.656 71.018 -0.362 18152 6114 1 9 . 1 1 101 101 THR H H 101 8.587 8.587 8.801 -0.214 18152 6115 1 9 . 1 1 102 102 HIS N N 102 119.885 119.885 119.223 0.662 18152 6116 1 9 . 1 1 102 102 HIS HA H 102 5.401 5.401 4.656 0.745 18152 6117 1 9 . 1 1 102 102 HIS C C 102 176.781 176.781 176.645 0.136 18152 6118 1 9 . 1 1 102 102 HIS CA C 102 54.482 54.482 56.963 -2.481 18152 6119 1 9 . 1 1 102 102 HIS CB C 102 31.240 31.240 29.768 1.472 18152 6120 1 9 . 1 1 102 102 HIS H H 102 8.194 8.194 8.932 -0.738 18152 6121 1 9 . 1 1 103 103 ALA N N 103 121.632 121.632 125.152 -3.520 18152 6122 1 9 . 1 1 103 103 ALA HA H 103 3.710 3.710 4.010 -0.300 18152 6123 1 9 . 1 1 103 103 ALA C C 103 177.587 177.587 177.111 0.476 18152 6124 1 9 . 1 1 103 103 ALA CA C 103 54.899 54.899 54.440 0.459 18152 6125 1 9 . 1 1 103 103 ALA CB C 103 17.981 17.981 18.825 -0.844 18152 6126 1 9 . 1 1 103 103 ALA H H 103 8.405 8.405 8.896 -0.491 18152 6127 1 9 . 1 1 104 104 ASP N N 104 114.513 114.513 115.410 -0.897 18152 6128 1 9 . 1 1 104 104 ASP HA H 104 4.603 4.603 4.662 -0.059 18152 6129 1 9 . 1 1 104 104 ASP C C 104 175.283 175.283 175.904 -0.621 18152 6130 1 9 . 1 1 104 104 ASP CA C 104 53.070 53.070 54.183 -1.113 18152 6131 1 9 . 1 1 104 104 ASP CB C 104 40.034 40.034 40.739 -0.705 18152 6132 1 9 . 1 1 104 104 ASP H H 104 8.314 8.314 8.125 0.189 18152 6133 1 9 . 1 1 105 105 ASP N N 105 119.184 119.184 122.112 -2.928 18152 6134 1 9 . 1 1 105 105 ASP HA H 105 4.170 4.170 4.694 -0.524 18152 6135 1 9 . 1 1 105 105 ASP C C 105 177.674 177.674 176.681 0.993 18152 6136 1 9 . 1 1 105 105 ASP CA C 105 54.268 54.268 52.977 1.292 18152 6137 1 9 . 1 1 105 105 ASP CB C 105 39.846 39.846 40.024 -0.178 18152 6138 1 9 . 1 1 105 105 ASP H H 105 7.043 7.043 7.790 -0.747 18152 6139 1 9 . 1 1 106 106 ARG N N 106 127.998 127.998 121.640 6.358 18152 6140 1 9 . 1 1 106 106 ARG HA H 106 4.368 4.368 3.904 0.464 18152 6141 1 9 . 1 1 106 106 ARG C C 106 177.709 177.709 178.230 -0.521 18152 6142 1 9 . 1 1 106 106 ARG CA C 106 55.888 55.888 58.987 -3.099 18152 6143 1 9 . 1 1 106 106 ARG CB C 106 29.264 29.264 29.251 0.013 18152 6144 1 9 . 1 1 106 106 ARG H H 106 8.921 8.921 8.547 0.374 18152 6145 1 9 . 1 1 107 107 THR N N 107 111.880 111.880 111.704 0.176 18152 6146 1 9 . 1 1 107 107 THR HA H 107 4.139 4.139 4.040 0.099 18152 6147 1 9 . 1 1 107 107 THR C C 107 173.548 173.548 175.730 -2.182 18152 6148 1 9 . 1 1 107 107 THR CA C 107 62.350 62.350 64.832 -2.482 18152 6149 1 9 . 1 1 107 107 THR CB C 107 68.935 68.935 68.472 0.463 18152 6150 1 9 . 1 1 107 107 THR H H 107 8.857 8.857 8.057 0.800 18152 6151 1 9 . 1 1 108 108 VAL N N 108 118.971 118.971 112.205 6.766 18152 6152 1 9 . 1 1 108 108 VAL HA H 108 3.942 3.942 4.537 -0.595 18152 6153 1 9 . 1 1 108 108 VAL C C 108 176.853 176.853 175.677 1.176 18152 6154 1 9 . 1 1 108 108 VAL CA C 108 63.878 63.878 62.058 1.820 18152 6155 1 9 . 1 1 108 108 VAL CB C 108 32.470 32.470 32.423 0.047 18152 6156 1 9 . 1 1 108 108 VAL H H 108 6.811 6.811 8.006 -1.195 18152 6157 1 9 . 1 1 109 109 ILE N N 109 120.334 120.334 119.717 0.617 18152 6158 1 9 . 1 1 109 109 ILE HA H 109 3.438 3.438 4.307 -0.869 18152 6159 1 9 . 1 1 109 109 ILE C C 109 173.191 173.191 175.700 -2.509 18152 6160 1 9 . 1 1 109 109 ILE CA C 109 60.963 60.963 59.927 1.036 18152 6161 1 9 . 1 1 109 109 ILE CB C 109 33.933 33.933 36.252 -2.319 18152 6162 1 9 . 1 1 109 109 ILE H H 109 8.053 8.053 8.158 -0.105 18152 6163 1 9 . 1 1 110 110 ILE N N 110 118.981 118.981 119.854 -0.873 18152 6164 1 9 . 1 1 110 110 ILE HA H 110 4.542 4.542 4.458 0.084 18152 6165 1 9 . 1 1 110 110 ILE C C 110 174.405 174.405 174.773 -0.368 18152 6166 1 9 . 1 1 110 110 ILE CA C 110 57.932 57.932 58.696 -0.764 18152 6167 1 9 . 1 1 110 110 ILE CB C 110 42.146 42.146 38.746 3.400 18152 6168 1 9 . 1 1 110 110 ILE H H 110 6.877 6.877 7.682 -0.805 18152 6169 1 9 . 1 1 111 111 LYS N N 111 123.307 123.307 120.026 3.281 18152 6170 1 9 . 1 1 111 111 LYS HA H 111 4.609 4.609 4.815 -0.206 18152 6171 1 9 . 1 1 111 111 LYS C C 111 176.528 176.528 176.219 0.309 18152 6172 1 9 . 1 1 111 111 LYS CA C 111 56.695 56.695 55.190 1.505 18152 6173 1 9 . 1 1 111 111 LYS CB C 111 33.092 33.092 33.968 -0.876 18152 6174 1 9 . 1 1 111 111 LYS H H 111 8.492 8.492 8.118 0.374 18152 6175 1 9 . 1 1 112 112 LYS N N 112 121.425 121.425 124.575 -3.150 18152 6176 1 9 . 1 1 112 112 LYS HA H 112 4.706 4.706 4.511 0.195 18152 6177 1 9 . 1 1 112 112 LYS C C 112 175.996 175.996 176.133 -0.137 18152 6178 1 9 . 1 1 112 112 LYS CA C 112 53.271 53.271 55.368 -2.097 18152 6179 1 9 . 1 1 112 112 LYS CB C 112 36.089 36.089 34.811 1.278 18152 6180 1 9 . 1 1 112 112 LYS H H 112 8.351 8.351 8.825 -0.474 18152 6181 1 9 . 1 1 113 113 GLU N N 113 119.533 119.533 121.421 -1.888 18152 6182 1 9 . 1 1 113 113 GLU HA H 113 4.372 4.372 4.239 0.133 18152 6183 1 9 . 1 1 113 113 GLU C C 113 174.477 174.477 175.787 -1.310 18152 6184 1 9 . 1 1 113 113 GLU CA C 113 55.175 55.175 56.764 -1.589 18152 6185 1 9 . 1 1 113 113 GLU CB C 113 29.097 29.097 30.216 -1.119 18152 6186 1 9 . 1 1 113 113 GLU H H 113 8.815 8.815 8.818 -0.003 18152 6187 1 9 . 1 1 114 114 GLU N N 114 117.843 117.843 118.314 -0.471 18152 6188 1 9 . 1 1 114 114 GLU HA H 114 4.701 4.701 4.709 -0.008 18152 6189 1 9 . 1 1 114 114 GLU C C 114 172.378 172.378 173.905 -1.527 18152 6190 1 9 . 1 1 114 114 GLU CA C 114 52.633 52.633 52.779 -0.146 18152 6191 1 9 . 1 1 114 114 GLU CB C 114 30.487 30.487 30.462 0.025 18152 6192 1 9 . 1 1 114 114 GLU H H 114 7.426 7.426 7.662 -0.236 18152 6193 1 9 . 1 1 115 115 PRO HA H 115 4.725 4.725 4.949 -0.224 18152 6194 1 9 . 1 1 115 115 PRO CA C 115 62.352 62.352 62.945 -0.593 18152 6195 1 9 . 1 1 115 115 PRO CB C 115 30.706 30.706 31.466 -0.760 18152 6196 1 9 . 1 1 116 116 ILE N N 116 130.464 130.464 124.097 6.367 18152 6197 1 9 . 1 1 116 116 ILE HA H 116 4.785 4.785 4.912 -0.127 18152 6198 1 9 . 1 1 116 116 ILE C C 116 172.992 172.992 174.273 -1.281 18152 6199 1 9 . 1 1 116 116 ILE CA C 116 56.976 56.976 58.961 -1.984 18152 6200 1 9 . 1 1 116 116 ILE CB C 116 41.420 41.420 42.035 -0.615 18152 6201 1 9 . 1 1 116 116 ILE H H 116 7.830 7.830 8.317 -0.487 18152 6202 1 9 . 1 1 117 117 LEU N N 117 128.504 128.504 129.216 -0.712 18152 6203 1 9 . 1 1 117 117 LEU HA H 117 5.307 5.307 5.197 0.110 18152 6204 1 9 . 1 1 117 117 LEU C C 117 174.488 174.488 175.077 -0.589 18152 6205 1 9 . 1 1 117 117 LEU CA C 117 52.062 52.062 53.257 -1.195 18152 6206 1 9 . 1 1 117 117 LEU CB C 117 45.447 45.447 44.394 1.053 18152 6207 1 9 . 1 1 117 117 LEU H H 117 8.838 8.838 9.152 -0.314 18152 6208 1 9 . 1 1 118 118 THR N N 118 125.436 125.436 123.281 2.155 18152 6209 1 9 . 1 1 118 118 THR HA H 118 5.417 5.417 4.927 0.490 18152 6210 1 9 . 1 1 118 118 THR C C 118 173.169 173.169 172.738 0.431 18152 6211 1 9 . 1 1 118 118 THR CA C 118 60.596 60.596 61.948 -1.352 18152 6212 1 9 . 1 1 118 118 THR CB C 118 68.558 68.558 70.510 -1.952 18152 6213 1 9 . 1 1 118 118 THR H H 118 8.938 8.938 9.115 -0.177 18152 6214 1 9 . 1 1 119 119 LEU N N 119 128.310 128.310 130.039 -1.729 18152 6215 1 9 . 1 1 119 119 LEU HA H 119 5.103 5.103 5.129 -0.026 18152 6216 1 9 . 1 1 119 119 LEU C C 119 174.404 174.404 174.697 -0.293 18152 6217 1 9 . 1 1 119 119 LEU CA C 119 52.439 52.439 52.983 -0.544 18152 6218 1 9 . 1 1 119 119 LEU CB C 119 44.373 44.373 45.056 -0.683 18152 6219 1 9 . 1 1 119 119 LEU H H 119 9.280 9.280 8.620 0.660 18152 6220 1 9 . 1 1 120 120 THR N N 120 117.635 117.635 120.447 -2.812 18152 6221 1 9 . 1 1 120 120 THR HA H 120 5.590 5.590 5.680 -0.090 18152 6222 1 9 . 1 1 120 120 THR C C 120 172.735 172.735 174.028 -1.293 18152 6223 1 9 . 1 1 120 120 THR CA C 120 57.360 57.360 59.775 -2.415 18152 6224 1 9 . 1 1 120 120 THR CB C 120 70.136 70.136 70.925 -0.789 18152 6225 1 9 . 1 1 120 120 THR H H 120 8.640 8.640 9.178 -0.538 18152 6226 1 9 . 1 1 121 121 THR N N 121 116.149 116.149 118.749 -2.600 18152 6227 1 9 . 1 1 121 121 THR HA H 121 4.766 4.766 5.522 -0.756 18152 6228 1 9 . 1 1 121 121 THR C C 121 174.145 174.145 173.550 0.595 18152 6229 1 9 . 1 1 121 121 THR CA C 121 59.550 59.550 60.240 -0.690 18152 6230 1 9 . 1 1 121 121 THR CB C 121 71.701 71.701 72.781 -1.080 18152 6231 1 9 . 1 1 121 121 THR H H 121 8.374 8.374 8.333 0.041 18152 6232 1 9 . 1 1 123 123 TYR N N 123 121.847 121.847 118.136 3.711 18152 6233 1 9 . 1 1 123 123 TYR H H 123 7.461 7.461 8.154 -0.693 18152 6234 1 9 . 1 1 125 125 PHE N N 125 120.754 120.754 112.783 7.971 18152 6235 1 9 . 1 1 125 125 PHE HA H 125 4.420 4.420 4.289 0.131 18152 6236 1 9 . 1 1 125 125 PHE C C 125 176.083 176.083 177.029 -0.946 18152 6237 1 9 . 1 1 125 125 PHE CA C 125 58.918 58.918 59.636 -0.718 18152 6238 1 9 . 1 1 125 125 PHE CB C 125 38.624 38.624 37.374 1.250 18152 6239 1 9 . 1 1 125 125 PHE H H 125 7.334 7.334 7.391 -0.057 18152 6240 1 9 . 1 1 126 126 ASP N N 126 114.938 114.938 119.498 -4.560 18152 6241 1 9 . 1 1 126 126 ASP HA H 126 4.548 4.548 4.407 0.141 18152 6242 1 9 . 1 1 126 126 ASP C C 126 175.285 175.285 176.604 -1.319 18152 6243 1 9 . 1 1 126 126 ASP CA C 126 51.974 51.974 56.039 -4.065 18152 6244 1 9 . 1 1 126 126 ASP CB C 126 39.454 39.454 40.737 -1.283 18152 6245 1 9 . 1 1 126 126 ASP H H 126 8.179 8.179 7.514 0.665 18152 6246 1 9 . 1 1 127 127 TYR N N 127 121.170 121.170 120.511 0.659 18152 6247 1 9 . 1 1 127 127 TYR HA H 127 3.947 3.947 4.345 -0.398 18152 6248 1 9 . 1 1 127 127 TYR C C 127 175.022 175.022 175.618 -0.596 18152 6249 1 9 . 1 1 127 127 TYR CA C 127 58.734 58.734 58.097 0.637 18152 6250 1 9 . 1 1 127 127 TYR CB C 127 39.330 39.330 39.383 -0.053 18152 6251 1 9 . 1 1 127 127 TYR H H 127 7.196 7.196 8.090 -0.894 18152 6252 1 9 . 1 1 128 128 ILE N N 128 127.293 127.293 125.086 2.207 18152 6253 1 9 . 1 1 128 128 ILE HA H 128 4.081 4.081 3.547 0.534 18152 6254 1 9 . 1 1 128 128 ILE C C 128 174.579 174.579 175.891 -1.312 18152 6255 1 9 . 1 1 128 128 ILE CA C 128 60.165 60.165 61.566 -1.401 18152 6256 1 9 . 1 1 128 128 ILE CB C 128 37.120 37.120 34.512 2.608 18152 6257 1 9 . 1 1 128 128 ILE H H 128 7.634 7.634 7.908 -0.274 18152 6258 1 9 . 1 1 129 129 GLY N N 129 114.862 114.862 116.251 -1.389 18152 6259 1 9 . 1 1 129 129 GLY C C 129 172.992 172.992 172.542 0.450 18152 6260 1 9 . 1 1 129 129 GLY CA C 129 43.458 43.458 44.901 -1.443 18152 6261 1 9 . 1 1 129 129 GLY H H 129 8.150 8.150 8.293 -0.143 18152 6262 1 9 . 1 1 130 130 ASP N N 130 122.165 122.165 123.546 -1.381 18152 6263 1 9 . 1 1 130 130 ASP HA H 130 4.639 4.639 4.960 -0.321 18152 6264 1 9 . 1 1 130 130 ASP C C 130 174.579 174.579 174.601 -0.022 18152 6265 1 9 . 1 1 130 130 ASP CA C 130 53.344 53.344 52.984 0.360 18152 6266 1 9 . 1 1 130 130 ASP CB C 130 39.979 39.979 43.154 -3.175 18152 6267 1 9 . 1 1 130 130 ASP H H 130 8.541 8.541 8.513 0.028 18152 6268 1 9 . 1 1 131 131 ALA N N 131 129.087 129.087 127.617 1.470 18152 6269 1 9 . 1 1 131 131 ALA HA H 131 3.673 3.673 4.342 -0.669 18152 6270 1 9 . 1 1 131 131 ALA C C 131 176.791 176.791 175.660 1.131 18152 6271 1 9 . 1 1 131 131 ALA CA C 131 50.186 50.186 48.999 1.187 18152 6272 1 9 . 1 1 131 131 ALA CB C 131 17.692 17.692 17.906 -0.214 18152 6273 1 9 . 1 1 131 131 ALA H H 131 8.280 8.280 8.298 -0.018 18152 6274 1 9 . 1 1 133 133 ASP N N 133 117.477 117.477 115.204 2.273 18152 6275 1 9 . 1 1 133 133 ASP HA H 133 5.512 5.512 4.735 0.777 18152 6276 1 9 . 1 1 133 133 ASP C C 133 175.988 175.988 175.133 0.855 18152 6277 1 9 . 1 1 133 133 ASP CA C 133 53.067 53.067 52.899 0.168 18152 6278 1 9 . 1 1 133 133 ASP CB C 133 45.102 45.102 43.647 1.455 18152 6279 1 9 . 1 1 133 133 ASP H H 133 7.355 7.355 7.872 -0.517 18152 6280 1 9 . 1 1 134 134 ARG N N 134 120.986 120.986 119.851 1.135 18152 6281 1 9 . 1 1 134 134 ARG HA H 134 4.871 4.871 4.505 0.366 18152 6282 1 9 . 1 1 134 134 ARG C C 134 172.288 172.288 175.409 -3.121 18152 6283 1 9 . 1 1 134 134 ARG CA C 134 53.958 53.958 53.450 0.508 18152 6284 1 9 . 1 1 134 134 ARG CB C 134 33.787 33.787 31.561 2.226 18152 6285 1 9 . 1 1 134 134 ARG H H 134 9.308 9.308 9.057 0.251 18152 6286 1 9 . 1 1 135 135 TYR N N 135 127.342 127.342 125.398 1.944 18152 6287 1 9 . 1 1 135 135 TYR HA H 135 4.037 4.037 4.263 -0.226 18152 6288 1 9 . 1 1 135 135 TYR C C 135 173.811 173.811 174.045 -0.234 18152 6289 1 9 . 1 1 135 135 TYR CA C 135 57.419 57.419 59.374 -1.955 18152 6290 1 9 . 1 1 135 135 TYR CB C 135 40.515 40.515 39.327 1.188 18152 6291 1 9 . 1 1 135 135 TYR H H 135 8.867 8.867 8.433 0.434 18152 6292 1 9 . 1 1 136 136 ILE N N 136 128.458 128.458 126.731 1.727 18152 6293 1 9 . 1 1 136 136 ILE HA H 136 4.133 4.133 4.686 -0.553 18152 6294 1 9 . 1 1 136 136 ILE C C 136 173.610 173.610 173.990 -0.380 18152 6295 1 9 . 1 1 136 136 ILE CA C 136 58.968 58.968 58.336 0.632 18152 6296 1 9 . 1 1 136 136 ILE CB C 136 40.998 40.998 38.708 2.291 18152 6297 1 9 . 1 1 136 136 ILE H H 136 8.569 8.569 8.520 0.049 18152 6298 1 9 . 1 1 137 137 ILE N N 137 123.623 123.623 128.412 -4.789 18152 6299 1 9 . 1 1 137 137 ILE HA H 137 4.330 4.330 4.044 0.286 18152 6300 1 9 . 1 1 137 137 ILE C C 137 173.524 173.524 174.010 -0.486 18152 6301 1 9 . 1 1 137 137 ILE CA C 137 59.873 59.873 59.879 -0.006 18152 6302 1 9 . 1 1 137 137 ILE CB C 137 40.767 40.767 39.266 1.502 18152 6303 1 9 . 1 1 137 137 ILE H H 137 8.263 8.263 8.575 -0.312 18152 6304 1 9 . 1 1 138 138 GLU N N 138 127.009 127.009 129.386 -2.377 18152 6305 1 9 . 1 1 138 138 GLU HA H 138 5.219 5.219 4.818 0.401 18152 6306 1 9 . 1 1 138 138 GLU C C 138 175.383 175.383 174.778 0.605 18152 6307 1 9 . 1 1 138 138 GLU CA C 138 54.895 54.895 54.921 -0.026 18152 6308 1 9 . 1 1 138 138 GLU CB C 138 33.904 33.904 32.528 1.376 18152 6309 1 9 . 1 1 138 138 GLU H H 138 9.166 9.166 7.977 1.189 18152 6310 1 9 . 1 1 139 139 ALA N N 139 132.785 132.785 127.703 5.082 18152 6311 1 9 . 1 1 139 139 ALA HA H 139 5.231 5.231 5.390 -0.159 18152 6312 1 9 . 1 1 139 139 ALA C C 139 173.789 173.789 174.994 -1.205 18152 6313 1 9 . 1 1 139 139 ALA CA C 139 50.197 50.197 51.099 -0.902 18152 6314 1 9 . 1 1 139 139 ALA CB C 139 24.262 24.262 23.240 1.022 18152 6315 1 9 . 1 1 139 139 ALA H H 139 10.313 10.313 8.610 1.703 18152 6316 1 9 . 1 1 140 140 LYS N N 140 120.672 120.672 123.757 -3.085 18152 6317 1 9 . 1 1 140 140 LYS HA H 140 5.062 5.062 5.210 -0.148 18152 6318 1 9 . 1 1 140 140 LYS C C 140 175.807 175.807 175.131 0.676 18152 6319 1 9 . 1 1 140 140 LYS CA C 140 54.250 54.250 53.959 0.291 18152 6320 1 9 . 1 1 140 140 LYS CB C 140 34.937 34.937 36.849 -1.912 18152 6321 1 9 . 1 1 140 140 LYS H H 140 8.507 8.507 8.420 0.087 18152 6322 1 9 . 1 1 141 141 LEU N N 141 126.557 126.557 125.429 1.128 18152 6323 1 9 . 1 1 141 141 LEU HA H 141 4.107 4.107 4.136 -0.029 18152 6324 1 9 . 1 1 141 141 LEU C C 141 177.236 177.236 176.741 0.495 18152 6325 1 9 . 1 1 141 141 LEU CA C 141 56.169 56.169 55.354 0.815 18152 6326 1 9 . 1 1 141 141 LEU CB C 141 42.408 42.408 42.219 0.189 18152 6327 1 9 . 1 1 141 141 LEU H H 141 7.560 7.560 8.246 -0.686 18152 6328 1 9 . 1 1 142 142 THR N N 142 119.454 119.454 120.695 -1.241 18152 6329 1 9 . 1 1 142 142 THR HA H 142 4.522 4.522 4.480 0.042 18152 6330 1 9 . 1 1 142 142 THR C C 142 175.187 175.187 174.394 0.793 18152 6331 1 9 . 1 1 142 142 THR CA C 142 60.915 60.915 61.606 -0.691 18152 6332 1 9 . 1 1 142 142 THR CB C 142 69.490 69.490 70.169 -0.679 18152 6333 1 9 . 1 1 142 142 THR H H 142 9.562 9.562 8.872 0.690 18152 6334 1 9 . 1 1 143 143 GLY N N 143 109.946 109.946 109.184 0.762 18152 6335 1 9 . 1 1 143 143 GLY C C 143 170.713 170.713 171.453 -0.740 18152 6336 1 9 . 1 1 143 143 GLY CA C 143 45.254 45.254 44.583 0.672 18152 6337 1 9 . 1 1 143 143 GLY H H 143 7.513 7.513 7.463 0.050 18152 6338 1 9 . 1 1 144 144 SER N N 144 112.778 112.778 115.599 -2.821 18152 6339 1 9 . 1 1 144 144 SER HA H 144 5.059 5.059 5.091 -0.032 18152 6340 1 9 . 1 1 144 144 SER C C 144 173.178 173.178 172.444 0.734 18152 6341 1 9 . 1 1 144 144 SER CA C 144 56.393 56.393 56.380 0.014 18152 6342 1 9 . 1 1 144 144 SER CB C 144 65.587 65.587 66.284 -0.697 18152 6343 1 9 . 1 1 144 144 SER H H 144 7.877 7.877 7.909 -0.032 18152 6344 1 9 . 1 1 145 145 TYR N N 145 119.351 119.351 120.996 -1.645 18152 6345 1 9 . 1 1 145 145 TYR HA H 145 4.755 4.755 4.714 0.041 18152 6346 1 9 . 1 1 145 145 TYR C C 145 174.580 174.580 174.697 -0.117 18152 6347 1 9 . 1 1 145 145 TYR CA C 145 56.413 56.413 57.061 -0.648 18152 6348 1 9 . 1 1 145 145 TYR CB C 145 40.096 40.096 42.323 -2.227 18152 6349 1 9 . 1 1 145 145 TYR H H 145 8.374 8.374 9.151 -0.777 18152 6350 1 9 . 1 1 146 146 SER N N 146 117.533 117.533 116.485 1.048 18152 6351 1 9 . 1 1 146 146 SER HA H 146 4.564 4.564 4.624 -0.060 18152 6352 1 9 . 1 1 146 146 SER CA C 146 58.000 58.000 56.774 1.226 18152 6353 1 9 . 1 1 146 146 SER CB C 146 63.905 63.905 64.373 -0.468 18152 6354 1 9 . 1 1 146 146 SER H H 146 8.502 8.502 8.465 0.037 18152 6355 1 10 . 1 1 7 7 GLN N N 7 122.485 122.485 120.456 2.029 18152 6356 1 10 . 1 1 7 7 GLN CA C 7 55.218 55.218 56.459 -1.242 18152 6357 1 10 . 1 1 7 7 GLN CB C 7 28.842 28.842 30.137 -1.295 18152 6358 1 10 . 1 1 7 7 GLN H H 7 8.175 8.175 8.659 -0.484 18152 6359 1 10 . 1 1 8 8 THR N N 8 115.244 115.244 119.162 -3.918 18152 6360 1 10 . 1 1 8 8 THR HA H 8 4.189 4.189 4.557 -0.368 18152 6361 1 10 . 1 1 8 8 THR C C 8 173.961 173.961 174.665 -0.704 18152 6362 1 10 . 1 1 8 8 THR CA C 8 61.486 61.486 62.320 -0.834 18152 6363 1 10 . 1 1 8 8 THR CB C 8 69.316 69.316 69.599 -0.283 18152 6364 1 10 . 1 1 8 8 THR H H 8 8.027 8.027 8.569 -0.542 18152 6365 1 10 . 1 1 9 9 GLU N N 9 123.496 123.496 122.591 0.905 18152 6366 1 10 . 1 1 9 9 GLU HA H 9 4.060 4.060 3.878 0.182 18152 6367 1 10 . 1 1 9 9 GLU C C 9 175.555 175.555 176.930 -1.375 18152 6368 1 10 . 1 1 9 9 GLU CA C 9 55.868 55.868 58.536 -2.668 18152 6369 1 10 . 1 1 9 9 GLU CB C 9 29.611 29.611 29.578 0.033 18152 6370 1 10 . 1 1 9 9 GLU H H 9 8.225 8.225 7.551 0.674 18152 6371 1 10 . 1 1 10 10 HIS N N 10 119.084 119.084 115.216 3.868 18152 6372 1 10 . 1 1 10 10 HIS HA H 10 4.384 4.384 4.008 0.376 18152 6373 1 10 . 1 1 10 10 HIS C C 10 173.742 173.742 174.152 -0.410 18152 6374 1 10 . 1 1 10 10 HIS CA C 10 53.932 53.932 55.070 -1.138 18152 6375 1 10 . 1 1 10 10 HIS CB C 10 28.922 28.922 29.323 -0.401 18152 6376 1 10 . 1 1 10 10 HIS H H 10 7.357 7.357 7.732 -0.375 18152 6377 1 10 . 1 1 11 11 LYS N N 11 121.509 121.509 121.534 -0.025 18152 6378 1 10 . 1 1 11 11 LYS HA H 11 4.469 4.469 4.211 0.258 18152 6379 1 10 . 1 1 11 11 LYS C C 11 176.210 176.210 176.621 -0.411 18152 6380 1 10 . 1 1 11 11 LYS CA C 11 54.245 54.245 56.291 -2.046 18152 6381 1 10 . 1 1 11 11 LYS CB C 11 33.548 33.548 32.758 0.790 18152 6382 1 10 . 1 1 11 11 LYS H H 11 8.409 8.409 7.892 0.517 18152 6383 1 10 . 1 1 12 12 GLU N N 12 123.025 123.025 123.988 -0.963 18152 6384 1 10 . 1 1 12 12 GLU HA H 12 4.240 4.240 4.505 -0.265 18152 6385 1 10 . 1 1 12 12 GLU C C 12 178.023 178.023 177.559 0.464 18152 6386 1 10 . 1 1 12 12 GLU CA C 12 58.350 58.350 57.516 0.834 18152 6387 1 10 . 1 1 12 12 GLU CB C 12 29.254 29.254 29.686 -0.433 18152 6388 1 10 . 1 1 12 12 GLU H H 12 8.929 8.929 8.655 0.274 18152 6389 1 10 . 1 1 13 13 GLY N N 13 113.216 113.216 111.132 2.084 18152 6390 1 10 . 1 1 13 13 GLY C C 13 174.141 174.141 174.013 0.128 18152 6391 1 10 . 1 1 13 13 GLY CA C 13 45.243 45.243 45.423 -0.180 18152 6392 1 10 . 1 1 13 13 GLY H H 13 9.714 9.714 9.235 0.479 18152 6393 1 10 . 1 1 14 14 GLU N N 14 120.782 120.782 120.410 0.372 18152 6394 1 10 . 1 1 14 14 GLU HA H 14 4.472 4.472 4.736 -0.264 18152 6395 1 10 . 1 1 14 14 GLU C C 14 176.436 176.436 175.702 0.734 18152 6396 1 10 . 1 1 14 14 GLU CA C 14 55.641 55.641 54.084 1.557 18152 6397 1 10 . 1 1 14 14 GLU CB C 14 30.989 30.989 32.273 -1.284 18152 6398 1 10 . 1 1 14 14 GLU H H 14 8.289 8.289 7.799 0.490 18152 6399 1 10 . 1 1 15 15 LYS N N 15 125.126 125.126 126.751 -1.625 18152 6400 1 10 . 1 1 15 15 LYS HA H 15 4.100 4.100 3.896 0.204 18152 6401 1 10 . 1 1 15 15 LYS C C 15 176.970 176.970 176.411 0.559 18152 6402 1 10 . 1 1 15 15 LYS CA C 15 57.098 57.098 57.810 -0.712 18152 6403 1 10 . 1 1 15 15 LYS CB C 15 31.680 31.680 32.189 -0.509 18152 6404 1 10 . 1 1 15 15 LYS H H 15 8.978 8.978 9.048 -0.070 18152 6405 1 10 . 1 1 16 16 VAL N N 16 119.214 119.214 121.019 -1.805 18152 6406 1 10 . 1 1 16 16 VAL HA H 16 4.572 4.572 4.222 0.350 18152 6407 1 10 . 1 1 16 16 VAL C C 16 174.148 174.148 174.152 -0.004 18152 6408 1 10 . 1 1 16 16 VAL CA C 16 60.141 60.141 61.548 -1.407 18152 6409 1 10 . 1 1 16 16 VAL CB C 16 34.881 34.881 33.409 1.472 18152 6410 1 10 . 1 1 16 16 VAL H H 16 8.976 8.976 8.086 0.890 18152 6411 1 10 . 1 1 17 17 ALA N N 17 121.368 121.368 120.730 0.638 18152 6412 1 10 . 1 1 17 17 ALA HA H 17 5.186 5.186 4.923 0.263 18152 6413 1 10 . 1 1 17 17 ALA C C 17 174.664 174.664 174.709 -0.045 18152 6414 1 10 . 1 1 17 17 ALA CA C 17 51.098 51.098 50.091 1.007 18152 6415 1 10 . 1 1 17 17 ALA CB C 17 22.853 22.853 22.696 0.157 18152 6416 1 10 . 1 1 17 17 ALA H H 17 8.069 8.069 7.507 0.562 18152 6417 1 10 . 1 1 18 18 MET N N 18 116.475 116.475 119.236 -2.761 18152 6418 1 10 . 1 1 18 18 MET HA H 18 5.303 5.303 5.072 0.231 18152 6419 1 10 . 1 1 18 18 MET C C 18 174.413 174.413 173.836 0.577 18152 6420 1 10 . 1 1 18 18 MET CA C 18 53.607 53.607 54.606 -0.999 18152 6421 1 10 . 1 1 18 18 MET CB C 18 35.038 35.038 37.345 -2.307 18152 6422 1 10 . 1 1 18 18 MET H H 18 8.142 8.142 8.342 -0.200 18152 6423 1 10 . 1 1 19 19 LEU N N 19 126.244 126.244 126.692 -0.448 18152 6424 1 10 . 1 1 19 19 LEU HA H 19 5.268 5.268 5.257 0.011 18152 6425 1 10 . 1 1 19 19 LEU C C 19 173.617 173.617 174.269 -0.652 18152 6426 1 10 . 1 1 19 19 LEU CA C 19 52.851 52.851 53.410 -0.559 18152 6427 1 10 . 1 1 19 19 LEU CB C 19 44.705 44.705 44.508 0.197 18152 6428 1 10 . 1 1 19 19 LEU H H 19 9.369 9.369 9.503 -0.134 18152 6429 1 10 . 1 1 20 20 ASN N N 20 126.596 126.596 125.644 0.952 18152 6430 1 10 . 1 1 20 20 ASN HA H 20 5.340 5.340 5.340 -0.000 18152 6431 1 10 . 1 1 20 20 ASN C C 20 174.316 174.316 173.912 0.404 18152 6432 1 10 . 1 1 20 20 ASN CA C 20 51.344 51.344 51.857 -0.513 18152 6433 1 10 . 1 1 20 20 ASN CB C 20 40.972 40.972 41.707 -0.735 18152 6434 1 10 . 1 1 20 20 ASN H H 20 10.032 10.032 9.347 0.685 18152 6435 1 10 . 1 1 21 21 ILE N N 21 123.799 123.799 126.083 -2.284 18152 6436 1 10 . 1 1 21 21 ILE HA H 21 4.829 4.829 4.840 -0.011 18152 6437 1 10 . 1 1 21 21 ILE C C 21 174.409 174.409 175.140 -0.731 18152 6438 1 10 . 1 1 21 21 ILE CA C 21 58.243 58.243 58.433 -0.190 18152 6439 1 10 . 1 1 21 21 ILE CB C 21 37.477 37.477 38.555 -1.078 18152 6440 1 10 . 1 1 21 21 ILE H H 21 8.614 8.614 9.207 -0.593 18152 6441 1 10 . 1 1 22 22 PRO HA H 22 4.178 4.178 4.442 -0.264 18152 6442 1 10 . 1 1 22 22 PRO CA C 22 65.629 65.629 65.201 0.427 18152 6443 1 10 . 1 1 22 22 PRO CB C 22 31.806 31.806 32.007 -0.201 18152 6444 1 10 . 1 1 23 23 LYS N N 23 118.170 118.170 119.099 -0.929 18152 6445 1 10 . 1 1 23 23 LYS HA H 23 3.943 3.943 4.135 -0.192 18152 6446 1 10 . 1 1 23 23 LYS C C 23 177.231 177.231 177.422 -0.191 18152 6447 1 10 . 1 1 23 23 LYS CA C 23 58.643 58.643 58.888 -0.245 18152 6448 1 10 . 1 1 23 23 LYS CB C 23 33.171 33.171 32.236 0.935 18152 6449 1 10 . 1 1 23 23 LYS H H 23 9.365 9.365 8.492 0.873 18152 6450 1 10 . 1 1 24 24 LEU N N 24 111.984 111.984 116.491 -4.507 18152 6451 1 10 . 1 1 24 24 LEU HA H 24 4.319 4.319 4.469 -0.150 18152 6452 1 10 . 1 1 24 24 LEU C C 24 175.562 175.562 175.874 -0.312 18152 6453 1 10 . 1 1 24 24 LEU CA C 24 52.965 52.965 54.397 -1.432 18152 6454 1 10 . 1 1 24 24 LEU CB C 24 42.473 42.473 41.391 1.082 18152 6455 1 10 . 1 1 24 24 LEU H H 24 6.919 6.919 7.947 -1.028 18152 6456 1 10 . 1 1 25 25 LYS N N 25 115.814 115.814 117.240 -1.426 18152 6457 1 10 . 1 1 25 25 LYS HA H 25 3.849 3.849 3.999 -0.150 18152 6458 1 10 . 1 1 25 25 LYS C C 25 175.297 175.297 175.561 -0.264 18152 6459 1 10 . 1 1 25 25 LYS CA C 25 56.598 56.598 57.382 -0.784 18152 6460 1 10 . 1 1 25 25 LYS CB C 25 28.918 28.918 29.872 -0.954 18152 6461 1 10 . 1 1 25 25 LYS H H 25 7.912 7.912 7.365 0.547 18152 6462 1 10 . 1 1 26 26 LYS N N 26 115.145 115.145 117.876 -2.731 18152 6463 1 10 . 1 1 26 26 LYS HA H 26 4.559 4.559 4.544 0.015 18152 6464 1 10 . 1 1 26 26 LYS C C 26 173.961 173.961 174.260 -0.299 18152 6465 1 10 . 1 1 26 26 LYS CA C 26 53.788 53.788 54.279 -0.492 18152 6466 1 10 . 1 1 26 26 LYS CB C 26 37.483 37.483 37.545 -0.062 18152 6467 1 10 . 1 1 26 26 LYS H H 26 6.765 6.765 8.383 -1.618 18152 6468 1 10 . 1 1 27 27 LYS N N 27 119.758 119.758 118.034 1.724 18152 6469 1 10 . 1 1 27 27 LYS HA H 27 5.452 5.452 5.356 0.096 18152 6470 1 10 . 1 1 27 27 LYS C C 27 175.482 175.482 175.439 0.043 18152 6471 1 10 . 1 1 27 27 LYS CA C 27 53.883 53.883 55.228 -1.345 18152 6472 1 10 . 1 1 27 27 LYS CB C 27 35.855 35.855 36.730 -0.875 18152 6473 1 10 . 1 1 27 27 LYS H H 27 7.885 7.885 8.186 -0.301 18152 6474 1 10 . 1 1 28 28 PHE N N 28 119.077 119.077 121.042 -1.965 18152 6475 1 10 . 1 1 28 28 PHE HA H 28 4.871 4.871 4.767 0.104 18152 6476 1 10 . 1 1 28 28 PHE C C 28 175.477 175.477 174.189 1.288 18152 6477 1 10 . 1 1 28 28 PHE CA C 28 56.100 56.100 57.435 -1.335 18152 6478 1 10 . 1 1 28 28 PHE CB C 28 42.734 42.734 43.638 -0.904 18152 6479 1 10 . 1 1 28 28 PHE H H 28 9.397 9.397 9.561 -0.164 18152 6480 1 10 . 1 1 29 29 SER N N 29 121.189 121.189 119.972 1.217 18152 6481 1 10 . 1 1 29 29 SER HA H 29 4.848 4.848 4.485 0.363 18152 6482 1 10 . 1 1 29 29 SER C C 29 172.010 172.010 173.550 -1.540 18152 6483 1 10 . 1 1 29 29 SER CA C 29 59.961 59.961 58.149 1.812 18152 6484 1 10 . 1 1 29 29 SER CB C 29 64.433 64.433 63.070 1.363 18152 6485 1 10 . 1 1 29 29 SER H H 29 9.010 9.010 8.785 0.225 18152 6486 1 10 . 1 1 30 30 ILE N N 30 120.881 120.881 127.311 -6.430 18152 6487 1 10 . 1 1 30 30 ILE HA H 30 4.942 4.942 4.249 0.693 18152 6488 1 10 . 1 1 30 30 ILE C C 30 174.874 174.874 174.925 -0.051 18152 6489 1 10 . 1 1 30 30 ILE CA C 30 57.775 57.775 60.507 -2.732 18152 6490 1 10 . 1 1 30 30 ILE CB C 30 38.001 38.001 38.502 -0.501 18152 6491 1 10 . 1 1 30 30 ILE H H 30 8.084 8.084 8.267 -0.183 18152 6492 1 10 . 1 1 31 31 TYR N N 31 127.573 127.573 126.396 1.177 18152 6493 1 10 . 1 1 31 31 TYR HA H 31 5.299 5.299 4.927 0.372 18152 6494 1 10 . 1 1 31 31 TYR C C 31 174.806 174.806 175.653 -0.847 18152 6495 1 10 . 1 1 31 31 TYR CA C 31 56.120 56.120 56.447 -0.327 18152 6496 1 10 . 1 1 31 31 TYR CB C 31 41.139 41.139 41.055 0.084 18152 6497 1 10 . 1 1 31 31 TYR H H 31 9.174 9.174 8.521 0.653 18152 6498 1 10 . 1 1 32 32 TRP N N 32 121.993 121.993 125.137 -3.144 18152 6499 1 10 . 1 1 32 32 TRP HA H 32 4.583 4.583 4.436 0.147 18152 6500 1 10 . 1 1 32 32 TRP C C 32 175.194 175.194 175.973 -0.779 18152 6501 1 10 . 1 1 32 32 TRP CA C 32 57.396 57.396 59.618 -2.222 18152 6502 1 10 . 1 1 32 32 TRP CB C 32 29.670 29.670 30.357 -0.687 18152 6503 1 10 . 1 1 32 32 TRP H H 32 9.007 9.007 8.893 0.114 18152 6504 1 10 . 1 1 33 33 GLY N N 33 120.470 120.470 113.773 6.697 18152 6505 1 10 . 1 1 33 33 GLY C C 33 171.936 171.936 171.834 0.102 18152 6506 1 10 . 1 1 33 33 GLY CA C 33 44.532 44.532 44.244 0.288 18152 6507 1 10 . 1 1 33 33 GLY H H 33 7.758 7.758 7.639 0.119 18152 6508 1 10 . 1 1 34 34 ALA N N 34 120.239 120.239 124.747 -4.508 18152 6509 1 10 . 1 1 34 34 ALA HA H 34 4.447 4.447 4.637 -0.190 18152 6510 1 10 . 1 1 34 34 ALA C C 34 176.174 176.174 175.901 0.273 18152 6511 1 10 . 1 1 34 34 ALA CA C 34 49.913 49.913 51.543 -1.630 18152 6512 1 10 . 1 1 34 34 ALA CB C 34 18.955 18.955 21.141 -2.186 18152 6513 1 10 . 1 1 34 34 ALA H H 34 7.883 7.883 8.149 -0.266 18152 6514 1 10 . 1 1 35 35 ASP N N 35 118.828 118.828 125.709 -6.881 18152 6515 1 10 . 1 1 35 35 ASP HA H 35 4.450 4.450 4.804 -0.354 18152 6516 1 10 . 1 1 35 35 ASP C C 35 175.990 175.990 176.258 -0.268 18152 6517 1 10 . 1 1 35 35 ASP CA C 35 53.030 53.030 53.393 -0.363 18152 6518 1 10 . 1 1 35 35 ASP CB C 35 41.508 41.508 42.691 -1.183 18152 6519 1 10 . 1 1 35 35 ASP H H 35 7.944 7.944 8.591 -0.647 18152 6520 1 10 . 1 1 36 36 ASP N N 36 121.051 121.051 122.722 -1.671 18152 6521 1 10 . 1 1 36 36 ASP HA H 36 4.335 4.335 4.245 0.090 18152 6522 1 10 . 1 1 36 36 ASP C C 36 177.296 177.296 177.120 0.176 18152 6523 1 10 . 1 1 36 36 ASP CA C 36 55.183 55.183 55.401 -0.218 18152 6524 1 10 . 1 1 36 36 ASP CB C 36 39.837 39.837 40.939 -1.102 18152 6525 1 10 . 1 1 36 36 ASP H H 36 8.509 8.509 8.615 -0.106 18152 6526 1 10 . 1 1 37 37 ALA N N 37 119.568 119.568 121.667 -2.099 18152 6527 1 10 . 1 1 37 37 ALA HA H 37 4.060 4.060 4.182 -0.122 18152 6528 1 10 . 1 1 37 37 ALA C C 37 179.598 179.598 177.423 2.175 18152 6529 1 10 . 1 1 37 37 ALA CA C 37 53.967 53.967 53.447 0.520 18152 6530 1 10 . 1 1 37 37 ALA CB C 37 18.009 18.009 18.848 -0.839 18152 6531 1 10 . 1 1 37 37 ALA H H 37 8.169 8.169 7.826 0.343 18152 6532 1 10 . 1 1 38 38 THR HA H 38 3.850 3.850 4.197 -0.347 18152 6533 1 10 . 1 1 38 38 THR CA C 38 68.437 68.437 61.915 6.522 18152 6534 1 10 . 1 1 38 38 THR CB C 38 72.916 72.916 69.654 3.262 18152 6535 1 10 . 1 1 38 38 THR H H 38 7.621 7.621 7.514 0.107 18152 6536 1 10 . 1 1 42 42 GLY N N 42 106.310 106.310 104.016 2.294 18152 6537 1 10 . 1 1 42 42 GLY CA C 42 46.480 46.480 44.628 1.852 18152 6538 1 10 . 1 1 43 43 VAL N N 43 121.961 121.961 119.007 2.954 18152 6539 1 10 . 1 1 43 43 VAL HA H 43 4.481 4.481 4.739 -0.258 18152 6540 1 10 . 1 1 43 43 VAL C C 43 174.308 174.308 173.594 0.714 18152 6541 1 10 . 1 1 43 43 VAL CA C 43 61.079 61.079 61.565 -0.485 18152 6542 1 10 . 1 1 43 43 VAL CB C 43 32.911 32.911 33.782 -0.871 18152 6543 1 10 . 1 1 43 43 VAL H H 43 8.247 8.247 7.738 0.509 18152 6544 1 10 . 1 1 44 44 GLY N N 44 114.325 114.325 114.502 -0.177 18152 6545 1 10 . 1 1 44 44 GLY C C 44 172.465 172.465 171.685 0.780 18152 6546 1 10 . 1 1 44 44 GLY CA C 44 43.458 43.458 43.388 0.070 18152 6547 1 10 . 1 1 44 44 GLY H H 44 9.063 9.063 8.353 0.710 18152 6548 1 10 . 1 1 45 45 MET N N 45 125.031 125.031 121.644 3.387 18152 6549 1 10 . 1 1 45 45 MET HA H 45 4.742 4.742 5.088 -0.346 18152 6550 1 10 . 1 1 45 45 MET C C 45 173.873 173.873 174.324 -0.451 18152 6551 1 10 . 1 1 45 45 MET CA C 45 54.084 54.084 54.433 -0.349 18152 6552 1 10 . 1 1 45 45 MET CB C 45 34.548 34.548 35.201 -0.653 18152 6553 1 10 . 1 1 45 45 MET H H 45 8.966 8.966 8.865 0.101 18152 6554 1 10 . 1 1 46 46 PHE N N 46 127.637 127.637 127.158 0.479 18152 6555 1 10 . 1 1 46 46 PHE HA H 46 3.611 3.611 4.320 -0.709 18152 6556 1 10 . 1 1 46 46 PHE C C 46 175.023 175.023 174.247 0.776 18152 6557 1 10 . 1 1 46 46 PHE CA C 46 59.286 59.286 58.387 0.899 18152 6558 1 10 . 1 1 46 46 PHE CB C 46 40.644 40.644 39.469 1.175 18152 6559 1 10 . 1 1 46 46 PHE H H 46 8.790 8.790 8.195 0.595 18152 6560 1 10 . 1 1 47 47 VAL N N 47 130.695 130.695 128.001 2.694 18152 6561 1 10 . 1 1 47 47 VAL HA H 47 3.663 3.663 3.602 0.061 18152 6562 1 10 . 1 1 47 47 VAL C C 47 174.235 174.235 174.923 -0.688 18152 6563 1 10 . 1 1 47 47 VAL CA C 47 61.455 61.455 61.813 -0.358 18152 6564 1 10 . 1 1 47 47 VAL CB C 47 32.002 32.002 31.501 0.501 18152 6565 1 10 . 1 1 47 47 VAL H H 47 7.942 7.942 7.610 0.332 18152 6566 1 10 . 1 1 48 48 SER N N 48 120.391 120.391 121.334 -0.943 18152 6567 1 10 . 1 1 48 48 SER HA H 48 4.626 4.626 4.534 0.092 18152 6568 1 10 . 1 1 48 48 SER C C 48 173.167 173.167 172.951 0.216 18152 6569 1 10 . 1 1 48 48 SER CA C 48 57.384 57.384 56.750 0.634 18152 6570 1 10 . 1 1 48 48 SER CB C 48 65.720 65.720 65.376 0.344 18152 6571 1 10 . 1 1 48 48 SER H H 48 7.971 7.971 8.764 -0.793 18152 6572 1 10 . 1 1 49 49 ASP N N 49 117.498 117.498 120.721 -3.223 18152 6573 1 10 . 1 1 49 49 ASP HA H 49 4.603 4.603 4.565 0.038 18152 6574 1 10 . 1 1 49 49 ASP C C 49 174.539 174.539 177.167 -2.628 18152 6575 1 10 . 1 1 49 49 ASP CA C 49 55.222 55.222 56.737 -1.515 18152 6576 1 10 . 1 1 49 49 ASP CB C 49 40.206 40.206 41.136 -0.930 18152 6577 1 10 . 1 1 49 49 ASP H H 49 8.701 8.701 8.617 0.084 18152 6578 1 10 . 1 1 50 50 VAL N N 50 109.465 109.465 112.522 -3.057 18152 6579 1 10 . 1 1 50 50 VAL HA H 50 4.455 4.455 4.220 0.235 18152 6580 1 10 . 1 1 50 50 VAL C C 50 174.487 174.487 175.456 -0.969 18152 6581 1 10 . 1 1 50 50 VAL CA C 50 60.840 60.840 63.321 -2.481 18152 6582 1 10 . 1 1 50 50 VAL CB C 50 32.067 32.067 32.124 -0.057 18152 6583 1 10 . 1 1 50 50 VAL H H 50 7.770 7.770 7.527 0.243 18152 6584 1 10 . 1 1 51 51 THR N N 51 110.572 110.572 113.473 -2.901 18152 6585 1 10 . 1 1 51 51 THR HA H 51 5.293 5.293 4.552 0.741 18152 6586 1 10 . 1 1 51 51 THR C C 51 174.591 174.591 174.826 -0.235 18152 6587 1 10 . 1 1 51 51 THR CA C 51 58.487 58.487 61.859 -3.372 18152 6588 1 10 . 1 1 51 51 THR CB C 51 71.674 71.674 70.162 1.512 18152 6589 1 10 . 1 1 51 51 THR H H 51 7.095 7.095 7.421 -0.326 18152 6590 1 10 . 1 1 52 52 THR N N 52 109.706 109.706 114.854 -5.148 18152 6591 1 10 . 1 1 52 52 THR HA H 52 4.988 4.988 4.886 0.102 18152 6592 1 10 . 1 1 52 52 THR C C 52 177.060 177.060 173.812 3.248 18152 6593 1 10 . 1 1 52 52 THR CA C 52 59.777 59.777 60.215 -0.438 18152 6594 1 10 . 1 1 52 52 THR CB C 52 72.911 72.911 71.911 1.000 18152 6595 1 10 . 1 1 52 52 THR H H 52 8.836 8.836 9.017 -0.181 18152 6596 1 10 . 1 1 53 53 THR N N 53 113.970 113.970 111.704 2.266 18152 6597 1 10 . 1 1 53 53 THR HA H 53 4.601 4.601 4.901 -0.300 18152 6598 1 10 . 1 1 53 53 THR C C 53 176.085 176.085 173.515 2.570 18152 6599 1 10 . 1 1 53 53 THR CA C 53 60.920 60.920 58.120 2.800 18152 6600 1 10 . 1 1 53 53 THR CB C 53 67.192 67.192 69.705 -2.513 18152 6601 1 10 . 1 1 53 53 THR H H 53 8.857 8.857 8.407 0.450 18152 6602 1 10 . 1 1 54 54 PRO HA H 54 4.023 4.023 4.585 -0.562 18152 6603 1 10 . 1 1 54 54 PRO CA C 54 64.658 64.658 62.837 1.821 18152 6604 1 10 . 1 1 54 54 PRO CB C 54 29.665 29.665 30.090 -0.425 18152 6605 1 10 . 1 1 55 55 SER N N 55 105.932 105.932 114.822 -8.890 18152 6606 1 10 . 1 1 55 55 SER HA H 55 4.448 4.448 4.268 0.180 18152 6607 1 10 . 1 1 55 55 SER C C 55 176.253 176.253 174.148 2.105 18152 6608 1 10 . 1 1 55 55 SER CA C 55 58.086 58.086 57.941 0.145 18152 6609 1 10 . 1 1 55 55 SER CB C 55 62.950 62.950 64.650 -1.700 18152 6610 1 10 . 1 1 55 55 SER H H 55 6.879 6.879 7.979 -1.100 18152 6611 1 10 . 1 1 56 56 GLY N N 56 109.826 109.826 109.830 -0.004 18152 6612 1 10 . 1 1 56 56 GLY C C 56 175.832 175.832 174.056 1.776 18152 6613 1 10 . 1 1 56 56 GLY CA C 56 45.213 45.213 45.657 -0.445 18152 6614 1 10 . 1 1 56 56 GLY H H 56 7.733 7.733 7.292 0.441 18152 6615 1 10 . 1 1 57 57 GLY N N 57 105.805 105.805 110.854 -5.049 18152 6616 1 10 . 1 1 57 57 GLY C C 57 172.905 172.905 173.595 -0.690 18152 6617 1 10 . 1 1 57 57 GLY CA C 57 46.480 46.480 45.622 0.858 18152 6618 1 10 . 1 1 57 57 GLY H H 57 7.481 7.481 8.664 -1.183 18152 6619 1 10 . 1 1 58 58 GLY N N 58 109.086 109.086 108.897 0.189 18152 6620 1 10 . 1 1 58 58 GLY C C 58 172.807 172.807 172.698 0.109 18152 6621 1 10 . 1 1 58 58 GLY CA C 58 43.642 43.642 44.540 -0.898 18152 6622 1 10 . 1 1 58 58 GLY H H 58 7.549 7.549 7.817 -0.268 18152 6623 1 10 . 1 1 59 59 HIS N N 59 127.776 127.776 122.879 4.897 18152 6624 1 10 . 1 1 59 59 HIS HA H 59 5.162 5.162 4.865 0.297 18152 6625 1 10 . 1 1 59 59 HIS C C 59 174.930 174.930 174.618 0.312 18152 6626 1 10 . 1 1 59 59 HIS CA C 59 52.820 52.820 55.014 -2.194 18152 6627 1 10 . 1 1 59 59 HIS CB C 59 30.250 30.250 30.284 -0.034 18152 6628 1 10 . 1 1 59 59 HIS H H 59 9.517 9.517 9.077 0.440 18152 6629 1 10 . 1 1 60 60 THR N N 60 127.768 127.768 125.574 2.194 18152 6630 1 10 . 1 1 60 60 THR HA H 60 4.870 4.870 4.884 -0.014 18152 6631 1 10 . 1 1 60 60 THR C C 60 171.847 171.847 173.160 -1.313 18152 6632 1 10 . 1 1 60 60 THR CA C 60 61.358 61.358 61.850 -0.492 18152 6633 1 10 . 1 1 60 60 THR CB C 60 69.821 69.821 69.476 0.345 18152 6634 1 10 . 1 1 60 60 THR H H 60 9.769 9.769 9.231 0.538 18152 6635 1 10 . 1 1 61 61 VAL N N 61 126.493 126.493 127.924 -1.431 18152 6636 1 10 . 1 1 61 61 VAL HA H 61 4.641 4.641 4.822 -0.181 18152 6637 1 10 . 1 1 61 61 VAL C C 61 173.794 173.794 174.573 -0.779 18152 6638 1 10 . 1 1 61 61 VAL CA C 61 59.808 59.808 60.855 -1.047 18152 6639 1 10 . 1 1 61 61 VAL CB C 61 33.334 33.334 33.228 0.106 18152 6640 1 10 . 1 1 61 61 VAL H H 61 8.534 8.534 8.809 -0.275 18152 6641 1 10 . 1 1 62 62 LEU N N 62 126.342 126.342 128.896 -2.554 18152 6642 1 10 . 1 1 62 62 LEU HA H 62 5.345 5.345 4.878 0.467 18152 6643 1 10 . 1 1 62 62 LEU C C 62 175.554 175.554 175.643 -0.089 18152 6644 1 10 . 1 1 62 62 LEU CA C 62 51.143 51.143 53.462 -2.319 18152 6645 1 10 . 1 1 62 62 LEU CB C 62 43.344 43.344 44.820 -1.476 18152 6646 1 10 . 1 1 62 62 LEU H H 62 9.284 9.284 9.453 -0.169 18152 6647 1 10 . 1 1 63 63 SER N N 63 116.370 116.370 117.004 -0.634 18152 6648 1 10 . 1 1 63 63 SER HA H 63 5.328 5.328 5.600 -0.272 18152 6649 1 10 . 1 1 63 63 SER C C 63 174.576 174.576 172.902 1.674 18152 6650 1 10 . 1 1 63 63 SER CA C 63 54.893 54.893 57.016 -2.123 18152 6651 1 10 . 1 1 63 63 SER CB C 63 64.901 64.901 66.872 -1.971 18152 6652 1 10 . 1 1 63 63 SER H H 63 9.117 9.117 8.520 0.597 18152 6653 1 10 . 1 1 64 64 GLY N N 64 111.783 111.783 108.492 3.291 18152 6654 1 10 . 1 1 64 64 GLY C C 64 173.058 173.058 171.828 1.230 18152 6655 1 10 . 1 1 64 64 GLY CA C 64 45.547 45.547 44.655 0.892 18152 6656 1 10 . 1 1 64 64 GLY H H 64 8.723 8.723 8.162 0.561 18152 6657 1 10 . 1 1 74 74 GLY C C 74 173.703 173.703 175.497 -1.794 18152 6658 1 10 . 1 1 74 74 GLY CA C 74 45.507 45.507 45.084 0.423 18152 6659 1 10 . 1 1 75 75 GLN N N 75 116.093 116.093 119.214 -3.121 18152 6660 1 10 . 1 1 75 75 GLN HA H 75 4.229 4.229 4.135 0.094 18152 6661 1 10 . 1 1 75 75 GLN C C 75 177.319 177.319 176.169 1.150 18152 6662 1 10 . 1 1 75 75 GLN CA C 75 56.016 56.016 57.876 -1.860 18152 6663 1 10 . 1 1 75 75 GLN CB C 75 29.310 29.310 29.520 -0.210 18152 6664 1 10 . 1 1 75 75 GLN H H 75 7.598 7.598 7.487 0.111 18152 6665 1 10 . 1 1 76 76 LEU N N 76 117.894 117.894 117.736 0.158 18152 6666 1 10 . 1 1 76 76 LEU HA H 76 4.373 4.373 4.614 -0.241 18152 6667 1 10 . 1 1 76 76 LEU C C 76 175.639 175.639 175.165 0.474 18152 6668 1 10 . 1 1 76 76 LEU CA C 76 54.578 54.578 54.284 0.294 18152 6669 1 10 . 1 1 76 76 LEU CB C 76 41.720 41.720 40.551 1.169 18152 6670 1 10 . 1 1 76 76 LEU H H 76 7.285 7.285 7.399 -0.114 18152 6671 1 10 . 1 1 77 77 LYS N N 77 122.287 122.287 120.053 2.234 18152 6672 1 10 . 1 1 77 77 LYS HA H 77 4.545 4.545 4.370 0.175 18152 6673 1 10 . 1 1 77 77 LYS C C 77 175.553 175.553 176.118 -0.565 18152 6674 1 10 . 1 1 77 77 LYS CA C 77 53.336 53.336 56.106 -2.771 18152 6675 1 10 . 1 1 77 77 LYS CB C 77 36.380 36.380 34.171 2.209 18152 6676 1 10 . 1 1 77 77 LYS H H 77 9.513 9.513 7.656 1.857 18152 6677 1 10 . 1 1 78 78 GLU N N 78 118.949 118.949 120.105 -1.156 18152 6678 1 10 . 1 1 78 78 GLU HA H 78 3.523 3.523 4.428 -0.905 18152 6679 1 10 . 1 1 78 78 GLU C C 78 177.053 177.053 177.020 0.033 18152 6680 1 10 . 1 1 78 78 GLU CA C 78 59.205 59.205 58.523 0.682 18152 6681 1 10 . 1 1 78 78 GLU CB C 78 28.284 28.284 29.746 -1.462 18152 6682 1 10 . 1 1 78 78 GLU H H 78 8.900 8.900 8.899 0.001 18152 6683 1 10 . 1 1 79 79 LYS N N 79 114.843 114.843 115.697 -0.854 18152 6684 1 10 . 1 1 79 79 LYS HA H 79 3.751 3.751 4.322 -0.571 18152 6685 1 10 . 1 1 79 79 LYS C C 79 176.434 176.434 175.749 0.685 18152 6686 1 10 . 1 1 79 79 LYS CA C 79 59.231 59.231 56.673 2.558 18152 6687 1 10 . 1 1 79 79 LYS CB C 79 29.657 29.657 32.475 -2.818 18152 6688 1 10 . 1 1 79 79 LYS H H 79 8.909 8.909 8.005 0.904 18152 6689 1 10 . 1 1 80 80 ASP N N 80 119.664 119.664 120.412 -0.748 18152 6690 1 10 . 1 1 80 80 ASP HA H 80 4.946 4.946 4.627 0.319 18152 6691 1 10 . 1 1 80 80 ASP C C 80 175.886 175.886 174.654 1.232 18152 6692 1 10 . 1 1 80 80 ASP CA C 80 55.661 55.661 54.588 1.073 18152 6693 1 10 . 1 1 80 80 ASP CB C 80 41.782 41.782 42.255 -0.473 18152 6694 1 10 . 1 1 80 80 ASP H H 80 8.052 8.052 7.391 0.661 18152 6695 1 10 . 1 1 81 81 THR N N 81 111.597 111.597 112.464 -0.867 18152 6696 1 10 . 1 1 81 81 THR HA H 81 5.321 5.321 5.052 0.269 18152 6697 1 10 . 1 1 81 81 THR C C 81 174.221 174.221 173.364 0.857 18152 6698 1 10 . 1 1 81 81 THR CA C 81 61.103 61.103 60.337 0.766 18152 6699 1 10 . 1 1 81 81 THR CB C 81 71.264 71.264 72.270 -1.006 18152 6700 1 10 . 1 1 81 81 THR H H 81 8.083 8.083 8.155 -0.072 18152 6701 1 10 . 1 1 82 82 LEU N N 82 120.358 120.358 124.143 -3.785 18152 6702 1 10 . 1 1 82 82 LEU HA H 82 4.836 4.836 4.799 0.037 18152 6703 1 10 . 1 1 82 82 LEU C C 82 174.850 174.850 175.263 -0.413 18152 6704 1 10 . 1 1 82 82 LEU CA C 82 53.721 53.721 53.804 -0.083 18152 6705 1 10 . 1 1 82 82 LEU CB C 82 45.655 45.655 44.977 0.678 18152 6706 1 10 . 1 1 82 82 LEU H H 82 8.684 8.684 9.037 -0.353 18152 6707 1 10 . 1 1 83 83 VAL N N 83 121.834 121.834 123.711 -1.877 18152 6708 1 10 . 1 1 83 83 VAL HA H 83 5.269 5.269 5.424 -0.155 18152 6709 1 10 . 1 1 83 83 VAL C C 83 174.766 174.766 175.186 -0.420 18152 6710 1 10 . 1 1 83 83 VAL CA C 83 61.157 61.157 59.796 1.361 18152 6711 1 10 . 1 1 83 83 VAL CB C 83 34.923 34.923 32.751 2.172 18152 6712 1 10 . 1 1 83 83 VAL H H 83 8.670 8.670 8.841 -0.171 18152 6713 1 10 . 1 1 84 84 LEU N N 84 129.811 129.811 129.708 0.103 18152 6714 1 10 . 1 1 84 84 LEU HA H 84 5.647 5.647 5.085 0.562 18152 6715 1 10 . 1 1 84 84 LEU C C 84 175.644 175.644 176.168 -0.524 18152 6716 1 10 . 1 1 84 84 LEU CA C 84 53.160 53.160 54.120 -0.960 18152 6717 1 10 . 1 1 84 84 LEU CB C 84 46.815 46.815 43.927 2.888 18152 6718 1 10 . 1 1 84 84 LEU H H 84 10.025 10.025 9.264 0.761 18152 6719 1 10 . 1 1 85 85 GLU N N 85 125.273 125.273 124.024 1.249 18152 6720 1 10 . 1 1 85 85 GLU HA H 85 5.293 5.293 5.386 -0.093 18152 6721 1 10 . 1 1 85 85 GLU C C 85 175.910 175.910 175.459 0.451 18152 6722 1 10 . 1 1 85 85 GLU CA C 85 54.716 54.716 54.908 -0.192 18152 6723 1 10 . 1 1 85 85 GLU CB C 85 30.904 30.904 31.453 -0.549 18152 6724 1 10 . 1 1 85 85 GLU H H 85 9.117 9.117 9.056 0.061 18152 6725 1 10 . 1 1 86 86 TYR N N 86 125.299 125.299 126.096 -0.797 18152 6726 1 10 . 1 1 86 86 TYR HA H 86 4.825 4.825 4.737 0.088 18152 6727 1 10 . 1 1 86 86 TYR C C 86 174.077 174.077 174.758 -0.681 18152 6728 1 10 . 1 1 86 86 TYR CA C 86 57.516 57.516 58.104 -0.588 18152 6729 1 10 . 1 1 86 86 TYR CB C 86 41.720 41.720 42.490 -0.770 18152 6730 1 10 . 1 1 86 86 TYR H H 86 9.056 9.056 8.295 0.761 18152 6731 1 10 . 1 1 87 87 ASP N N 87 131.006 131.006 127.646 3.360 18152 6732 1 10 . 1 1 87 87 ASP HA H 87 3.921 3.921 4.295 -0.374 18152 6733 1 10 . 1 1 87 87 ASP C C 87 171.773 171.773 175.511 -3.738 18152 6734 1 10 . 1 1 87 87 ASP CA C 87 54.613 54.613 55.356 -0.744 18152 6735 1 10 . 1 1 87 87 ASP CB C 87 39.659 39.659 39.498 0.161 18152 6736 1 10 . 1 1 87 87 ASP H H 87 9.071 9.071 9.367 -0.296 18152 6737 1 10 . 1 1 88 88 ASN N N 88 109.843 109.843 109.142 0.701 18152 6738 1 10 . 1 1 88 88 ASN HA H 88 4.159 4.159 4.309 -0.150 18152 6739 1 10 . 1 1 88 88 ASN C C 88 173.995 173.995 174.110 -0.115 18152 6740 1 10 . 1 1 88 88 ASN CA C 88 54.528 54.528 54.753 -0.225 18152 6741 1 10 . 1 1 88 88 ASN CB C 88 37.383 37.383 38.069 -0.686 18152 6742 1 10 . 1 1 88 88 ASN H H 88 8.613 8.613 8.710 -0.097 18152 6743 1 10 . 1 1 89 89 LYS N N 89 119.021 119.021 117.924 1.097 18152 6744 1 10 . 1 1 89 89 LYS HA H 89 4.714 4.714 4.899 -0.185 18152 6745 1 10 . 1 1 89 89 LYS C C 89 174.644 174.644 175.398 -0.754 18152 6746 1 10 . 1 1 89 89 LYS CA C 89 55.133 55.133 55.264 -0.131 18152 6747 1 10 . 1 1 89 89 LYS CB C 89 36.460 36.460 36.028 0.432 18152 6748 1 10 . 1 1 89 89 LYS H H 89 7.903 7.903 8.034 -0.131 18152 6749 1 10 . 1 1 90 90 THR N N 90 117.141 117.141 115.908 1.233 18152 6750 1 10 . 1 1 90 90 THR HA H 90 4.819 4.819 5.395 -0.576 18152 6751 1 10 . 1 1 90 90 THR C C 90 172.823 172.823 173.878 -1.055 18152 6752 1 10 . 1 1 90 90 THR CA C 90 61.745 61.745 61.232 0.513 18152 6753 1 10 . 1 1 90 90 THR CB C 90 69.709 69.709 69.811 -0.102 18152 6754 1 10 . 1 1 90 90 THR H H 90 8.451 8.451 9.165 -0.714 18152 6755 1 10 . 1 1 91 91 TYR N N 91 127.333 127.333 127.360 -0.027 18152 6756 1 10 . 1 1 91 91 TYR HA H 91 4.620 4.620 4.869 -0.249 18152 6757 1 10 . 1 1 91 91 TYR C C 91 174.313 174.313 176.062 -1.749 18152 6758 1 10 . 1 1 91 91 TYR CA C 91 56.764 56.764 57.099 -0.335 18152 6759 1 10 . 1 1 91 91 TYR CB C 91 41.054 41.054 40.421 0.633 18152 6760 1 10 . 1 1 91 91 TYR H H 91 9.552 9.552 9.945 -0.393 18152 6761 1 10 . 1 1 92 92 THR N N 92 117.709 117.709 119.286 -1.577 18152 6762 1 10 . 1 1 92 92 THR HA H 92 4.941 4.941 4.733 0.208 18152 6763 1 10 . 1 1 92 92 THR C C 92 172.464 172.464 173.281 -0.817 18152 6764 1 10 . 1 1 92 92 THR CA C 92 61.320 61.320 61.745 -0.425 18152 6765 1 10 . 1 1 92 92 THR CB C 92 69.546 69.546 68.898 0.648 18152 6766 1 10 . 1 1 92 92 THR H H 92 8.705 8.705 9.289 -0.584 18152 6767 1 10 . 1 1 93 93 TYR N N 93 122.946 122.946 126.011 -3.065 18152 6768 1 10 . 1 1 93 93 TYR HA H 93 5.431 5.431 5.361 0.070 18152 6769 1 10 . 1 1 93 93 TYR C C 93 174.846 174.846 175.097 -0.251 18152 6770 1 10 . 1 1 93 93 TYR CA C 93 55.804 55.804 56.550 -0.746 18152 6771 1 10 . 1 1 93 93 TYR CB C 93 42.627 42.627 42.179 0.448 18152 6772 1 10 . 1 1 93 93 TYR H H 93 9.381 9.381 9.674 -0.293 18152 6773 1 10 . 1 1 94 94 GLU N N 94 121.240 121.240 121.517 -0.277 18152 6774 1 10 . 1 1 94 94 GLU HA H 94 4.901 4.901 4.908 -0.007 18152 6775 1 10 . 1 1 94 94 GLU C C 94 177.060 177.060 175.425 1.635 18152 6776 1 10 . 1 1 94 94 GLU CA C 94 54.073 54.073 54.043 0.030 18152 6777 1 10 . 1 1 94 94 GLU CB C 94 33.787 33.787 34.217 -0.430 18152 6778 1 10 . 1 1 94 94 GLU H H 94 9.100 9.100 9.189 -0.089 18152 6779 1 10 . 1 1 95 95 ILE N N 95 128.525 128.525 126.820 1.705 18152 6780 1 10 . 1 1 95 95 ILE HA H 95 3.737 3.737 4.194 -0.457 18152 6781 1 10 . 1 1 95 95 ILE C C 95 176.261 176.261 176.573 -0.312 18152 6782 1 10 . 1 1 95 95 ILE CA C 95 64.664 64.664 62.670 1.994 18152 6783 1 10 . 1 1 95 95 ILE CB C 95 37.472 37.472 36.323 1.149 18152 6784 1 10 . 1 1 95 95 ILE H H 95 9.293 9.293 8.557 0.736 18152 6785 1 10 . 1 1 96 96 GLN N N 96 127.221 127.221 128.297 -1.076 18152 6786 1 10 . 1 1 96 96 GLN HA H 96 4.831 4.831 4.422 0.409 18152 6787 1 10 . 1 1 96 96 GLN C C 96 174.674 174.674 176.070 -1.396 18152 6788 1 10 . 1 1 96 96 GLN CA C 96 54.632 54.632 56.871 -2.239 18152 6789 1 10 . 1 1 96 96 GLN CB C 96 31.165 31.165 30.133 1.032 18152 6790 1 10 . 1 1 96 96 GLN H H 96 10.106 10.106 8.449 1.657 18152 6791 1 10 . 1 1 97 97 LYS N N 97 120.717 120.717 118.455 2.262 18152 6792 1 10 . 1 1 97 97 LYS HA H 97 4.658 4.658 4.608 0.050 18152 6793 1 10 . 1 1 97 97 LYS C C 97 173.200 173.200 174.176 -0.976 18152 6794 1 10 . 1 1 97 97 LYS CA C 97 56.528 56.528 55.700 0.828 18152 6795 1 10 . 1 1 97 97 LYS CB C 97 36.462 36.462 35.070 1.392 18152 6796 1 10 . 1 1 97 97 LYS H H 97 7.958 7.958 7.635 0.323 18152 6797 1 10 . 1 1 98 98 ILE N N 98 125.089 125.089 123.651 1.438 18152 6798 1 10 . 1 1 98 98 ILE HA H 98 5.221 5.221 4.646 0.575 18152 6799 1 10 . 1 1 98 98 ILE C C 98 175.821 175.821 175.603 0.218 18152 6800 1 10 . 1 1 98 98 ILE CA C 98 60.078 60.078 60.035 0.043 18152 6801 1 10 . 1 1 98 98 ILE CB C 98 42.082 42.082 39.687 2.395 18152 6802 1 10 . 1 1 98 98 ILE H H 98 8.458 8.458 8.442 0.016 18152 6803 1 10 . 1 1 99 99 TRP N N 99 129.003 129.003 126.986 2.017 18152 6804 1 10 . 1 1 99 99 TRP HA H 99 4.661 4.661 4.942 -0.281 18152 6805 1 10 . 1 1 99 99 TRP C C 99 170.353 170.353 172.866 -2.513 18152 6806 1 10 . 1 1 99 99 TRP CA C 99 56.388 56.388 55.439 0.949 18152 6807 1 10 . 1 1 99 99 TRP CB C 99 31.158 31.158 30.507 0.651 18152 6808 1 10 . 1 1 99 99 TRP H H 99 9.291 9.291 8.110 1.181 18152 6809 1 10 . 1 1 100 100 ILE N N 100 117.739 117.739 120.289 -2.550 18152 6810 1 10 . 1 1 100 100 ILE HA H 100 4.616 4.616 4.508 0.108 18152 6811 1 10 . 1 1 100 100 ILE C C 100 176.258 176.258 175.358 0.900 18152 6812 1 10 . 1 1 100 100 ILE CA C 100 58.973 58.973 60.349 -1.376 18152 6813 1 10 . 1 1 100 100 ILE CB C 100 40.734 40.734 41.046 -0.312 18152 6814 1 10 . 1 1 100 100 ILE H H 100 7.778 7.778 8.333 -0.555 18152 6815 1 10 . 1 1 101 101 THR N N 101 120.676 120.676 120.133 0.543 18152 6816 1 10 . 1 1 101 101 THR HA H 101 4.755 4.755 4.722 0.033 18152 6817 1 10 . 1 1 101 101 THR C C 101 172.069 172.069 172.779 -0.710 18152 6818 1 10 . 1 1 101 101 THR CA C 101 57.557 57.557 59.448 -1.891 18152 6819 1 10 . 1 1 101 101 THR CB C 101 70.656 70.656 70.740 -0.084 18152 6820 1 10 . 1 1 101 101 THR H H 101 8.587 8.587 8.920 -0.333 18152 6821 1 10 . 1 1 102 102 HIS N N 102 119.885 119.885 120.481 -0.596 18152 6822 1 10 . 1 1 102 102 HIS HA H 102 5.401 5.401 4.498 0.903 18152 6823 1 10 . 1 1 102 102 HIS C C 102 176.781 176.781 176.761 0.020 18152 6824 1 10 . 1 1 102 102 HIS CA C 102 54.482 54.482 58.007 -3.525 18152 6825 1 10 . 1 1 102 102 HIS CB C 102 31.240 31.240 30.881 0.359 18152 6826 1 10 . 1 1 102 102 HIS H H 102 8.194 8.194 8.733 -0.539 18152 6827 1 10 . 1 1 103 103 ALA N N 103 121.632 121.632 125.123 -3.491 18152 6828 1 10 . 1 1 103 103 ALA HA H 103 3.710 3.710 4.004 -0.294 18152 6829 1 10 . 1 1 103 103 ALA C C 103 177.587 177.587 176.933 0.654 18152 6830 1 10 . 1 1 103 103 ALA CA C 103 54.899 54.899 54.156 0.743 18152 6831 1 10 . 1 1 103 103 ALA CB C 103 17.981 17.981 18.893 -0.912 18152 6832 1 10 . 1 1 103 103 ALA H H 103 8.405 8.405 8.516 -0.111 18152 6833 1 10 . 1 1 104 104 ASP N N 104 114.513 114.513 115.507 -0.994 18152 6834 1 10 . 1 1 104 104 ASP HA H 104 4.603 4.603 4.724 -0.121 18152 6835 1 10 . 1 1 104 104 ASP C C 104 175.283 175.283 174.932 0.351 18152 6836 1 10 . 1 1 104 104 ASP CA C 104 53.070 53.070 53.382 -0.312 18152 6837 1 10 . 1 1 104 104 ASP CB C 104 40.034 40.034 40.979 -0.945 18152 6838 1 10 . 1 1 104 104 ASP H H 104 8.314 8.314 8.086 0.228 18152 6839 1 10 . 1 1 105 105 ASP N N 105 119.184 119.184 121.125 -1.941 18152 6840 1 10 . 1 1 105 105 ASP HA H 105 4.170 4.170 4.780 -0.610 18152 6841 1 10 . 1 1 105 105 ASP C C 105 177.674 177.674 177.177 0.497 18152 6842 1 10 . 1 1 105 105 ASP CA C 105 54.268 54.268 53.140 1.128 18152 6843 1 10 . 1 1 105 105 ASP CB C 105 39.846 39.846 41.503 -1.657 18152 6844 1 10 . 1 1 105 105 ASP H H 105 7.043 7.043 7.891 -0.848 18152 6845 1 10 . 1 1 106 106 ARG N N 106 127.998 127.998 127.891 0.107 18152 6846 1 10 . 1 1 106 106 ARG HA H 106 4.368 4.368 4.140 0.228 18152 6847 1 10 . 1 1 106 106 ARG C C 106 177.709 177.709 177.697 0.012 18152 6848 1 10 . 1 1 106 106 ARG CA C 106 55.888 55.888 58.745 -2.857 18152 6849 1 10 . 1 1 106 106 ARG CB C 106 29.264 29.264 29.377 -0.113 18152 6850 1 10 . 1 1 106 106 ARG H H 106 8.921 8.921 8.454 0.467 18152 6851 1 10 . 1 1 107 107 THR N N 107 111.880 111.880 112.136 -0.256 18152 6852 1 10 . 1 1 107 107 THR HA H 107 4.139 4.139 4.053 0.086 18152 6853 1 10 . 1 1 107 107 THR C C 107 173.548 173.548 175.494 -1.946 18152 6854 1 10 . 1 1 107 107 THR CA C 107 62.350 62.350 64.747 -2.397 18152 6855 1 10 . 1 1 107 107 THR CB C 107 68.935 68.935 68.346 0.589 18152 6856 1 10 . 1 1 107 107 THR H H 107 8.857 8.857 8.292 0.565 18152 6857 1 10 . 1 1 108 108 VAL N N 108 118.971 118.971 116.355 2.616 18152 6858 1 10 . 1 1 108 108 VAL HA H 108 3.942 3.942 4.314 -0.372 18152 6859 1 10 . 1 1 108 108 VAL C C 108 176.853 176.853 175.649 1.204 18152 6860 1 10 . 1 1 108 108 VAL CA C 108 63.878 63.878 63.688 0.190 18152 6861 1 10 . 1 1 108 108 VAL CB C 108 32.470 32.470 33.186 -0.716 18152 6862 1 10 . 1 1 108 108 VAL H H 108 6.811 6.811 7.372 -0.561 18152 6863 1 10 . 1 1 109 109 ILE N N 109 120.334 120.334 119.418 0.916 18152 6864 1 10 . 1 1 109 109 ILE HA H 109 3.438 3.438 4.400 -0.962 18152 6865 1 10 . 1 1 109 109 ILE C C 109 173.191 173.191 175.943 -2.752 18152 6866 1 10 . 1 1 109 109 ILE CA C 109 60.963 60.963 60.278 0.685 18152 6867 1 10 . 1 1 109 109 ILE CB C 109 33.933 33.933 36.781 -2.848 18152 6868 1 10 . 1 1 109 109 ILE H H 109 8.053 8.053 8.202 -0.149 18152 6869 1 10 . 1 1 110 110 ILE N N 110 118.981 118.981 118.081 0.900 18152 6870 1 10 . 1 1 110 110 ILE HA H 110 4.542 4.542 4.344 0.198 18152 6871 1 10 . 1 1 110 110 ILE C C 110 174.405 174.405 174.633 -0.228 18152 6872 1 10 . 1 1 110 110 ILE CA C 110 57.932 57.932 58.774 -0.842 18152 6873 1 10 . 1 1 110 110 ILE CB C 110 42.146 42.146 38.476 3.670 18152 6874 1 10 . 1 1 110 110 ILE H H 110 6.877 6.877 7.615 -0.738 18152 6875 1 10 . 1 1 111 111 LYS N N 111 123.307 123.307 120.427 2.880 18152 6876 1 10 . 1 1 111 111 LYS HA H 111 4.609 4.609 4.665 -0.056 18152 6877 1 10 . 1 1 111 111 LYS C C 111 176.528 176.528 175.896 0.632 18152 6878 1 10 . 1 1 111 111 LYS CA C 111 56.695 56.695 56.082 0.613 18152 6879 1 10 . 1 1 111 111 LYS CB C 111 33.092 33.092 33.879 -0.787 18152 6880 1 10 . 1 1 111 111 LYS H H 111 8.492 8.492 8.255 0.237 18152 6881 1 10 . 1 1 112 112 LYS N N 112 121.425 121.425 123.484 -2.059 18152 6882 1 10 . 1 1 112 112 LYS HA H 112 4.706 4.706 4.481 0.225 18152 6883 1 10 . 1 1 112 112 LYS C C 112 175.996 175.996 175.496 0.500 18152 6884 1 10 . 1 1 112 112 LYS CA C 112 53.271 53.271 55.169 -1.899 18152 6885 1 10 . 1 1 112 112 LYS CB C 112 36.089 36.089 34.156 1.933 18152 6886 1 10 . 1 1 112 112 LYS H H 112 8.351 8.351 8.654 -0.303 18152 6887 1 10 . 1 1 113 113 GLU N N 113 119.533 119.533 120.082 -0.549 18152 6888 1 10 . 1 1 113 113 GLU HA H 113 4.372 4.372 4.503 -0.131 18152 6889 1 10 . 1 1 113 113 GLU C C 113 174.477 174.477 175.087 -0.610 18152 6890 1 10 . 1 1 113 113 GLU CA C 113 55.175 55.175 56.359 -1.184 18152 6891 1 10 . 1 1 113 113 GLU CB C 113 29.097 29.097 30.451 -1.354 18152 6892 1 10 . 1 1 113 113 GLU H H 113 8.815 8.815 8.681 0.134 18152 6893 1 10 . 1 1 114 114 GLU N N 114 117.843 117.843 118.763 -0.920 18152 6894 1 10 . 1 1 114 114 GLU HA H 114 4.701 4.701 4.760 -0.059 18152 6895 1 10 . 1 1 114 114 GLU C C 114 172.378 172.378 174.129 -1.751 18152 6896 1 10 . 1 1 114 114 GLU CA C 114 52.633 52.633 52.976 -0.343 18152 6897 1 10 . 1 1 114 114 GLU CB C 114 30.487 30.487 32.503 -2.016 18152 6898 1 10 . 1 1 114 114 GLU H H 114 7.426 7.426 7.749 -0.323 18152 6899 1 10 . 1 1 115 115 PRO HA H 115 4.725 4.725 4.881 -0.156 18152 6900 1 10 . 1 1 115 115 PRO CA C 115 62.352 62.352 63.093 -0.741 18152 6901 1 10 . 1 1 115 115 PRO CB C 115 30.706 30.706 31.052 -0.346 18152 6902 1 10 . 1 1 116 116 ILE N N 116 130.464 130.464 123.375 7.089 18152 6903 1 10 . 1 1 116 116 ILE HA H 116 4.785 4.785 4.885 -0.100 18152 6904 1 10 . 1 1 116 116 ILE C C 116 172.992 172.992 174.471 -1.479 18152 6905 1 10 . 1 1 116 116 ILE CA C 116 56.976 56.976 58.565 -1.589 18152 6906 1 10 . 1 1 116 116 ILE CB C 116 41.420 41.420 41.523 -0.103 18152 6907 1 10 . 1 1 116 116 ILE H H 116 7.830 7.830 8.211 -0.381 18152 6908 1 10 . 1 1 117 117 LEU N N 117 128.504 128.504 129.183 -0.679 18152 6909 1 10 . 1 1 117 117 LEU HA H 117 5.307 5.307 5.088 0.219 18152 6910 1 10 . 1 1 117 117 LEU C C 117 174.488 174.488 175.168 -0.680 18152 6911 1 10 . 1 1 117 117 LEU CA C 117 52.062 52.062 53.228 -1.166 18152 6912 1 10 . 1 1 117 117 LEU CB C 117 45.447 45.447 44.407 1.040 18152 6913 1 10 . 1 1 117 117 LEU H H 117 8.838 8.838 8.984 -0.146 18152 6914 1 10 . 1 1 118 118 THR N N 118 125.436 125.436 123.534 1.902 18152 6915 1 10 . 1 1 118 118 THR HA H 118 5.417 5.417 4.977 0.440 18152 6916 1 10 . 1 1 118 118 THR C C 118 173.169 173.169 172.702 0.467 18152 6917 1 10 . 1 1 118 118 THR CA C 118 60.596 60.596 62.044 -1.448 18152 6918 1 10 . 1 1 118 118 THR CB C 118 68.558 68.558 70.159 -1.601 18152 6919 1 10 . 1 1 118 118 THR H H 118 8.938 8.938 9.195 -0.257 18152 6920 1 10 . 1 1 119 119 LEU N N 119 128.310 128.310 130.193 -1.883 18152 6921 1 10 . 1 1 119 119 LEU HA H 119 5.103 5.103 5.112 -0.009 18152 6922 1 10 . 1 1 119 119 LEU C C 119 174.404 174.404 174.655 -0.251 18152 6923 1 10 . 1 1 119 119 LEU CA C 119 52.439 52.439 52.935 -0.497 18152 6924 1 10 . 1 1 119 119 LEU CB C 119 44.373 44.373 44.942 -0.569 18152 6925 1 10 . 1 1 119 119 LEU H H 119 9.280 9.280 9.092 0.188 18152 6926 1 10 . 1 1 120 120 THR N N 120 117.635 117.635 120.658 -3.023 18152 6927 1 10 . 1 1 120 120 THR HA H 120 5.590 5.590 5.386 0.204 18152 6928 1 10 . 1 1 120 120 THR C C 120 172.735 172.735 174.161 -1.426 18152 6929 1 10 . 1 1 120 120 THR CA C 120 57.360 57.360 59.160 -1.800 18152 6930 1 10 . 1 1 120 120 THR CB C 120 70.136 70.136 70.049 0.088 18152 6931 1 10 . 1 1 120 120 THR H H 120 8.640 8.640 9.356 -0.716 18152 6932 1 10 . 1 1 121 121 THR N N 121 116.149 116.149 118.589 -2.440 18152 6933 1 10 . 1 1 121 121 THR HA H 121 4.766 4.766 4.172 0.594 18152 6934 1 10 . 1 1 121 121 THR C C 121 174.145 174.145 172.811 1.334 18152 6935 1 10 . 1 1 121 121 THR CA C 121 59.550 59.550 60.795 -1.245 18152 6936 1 10 . 1 1 121 121 THR CB C 121 71.701 71.701 69.648 2.053 18152 6937 1 10 . 1 1 121 121 THR H H 121 8.374 8.374 8.631 -0.257 18152 6938 1 10 . 1 1 123 123 TYR N N 123 121.847 121.847 123.550 -1.703 18152 6939 1 10 . 1 1 123 123 TYR H H 123 7.461 7.461 7.676 -0.215 18152 6940 1 10 . 1 1 125 125 PHE N N 125 120.754 120.754 119.032 1.722 18152 6941 1 10 . 1 1 125 125 PHE HA H 125 4.420 4.420 4.293 0.127 18152 6942 1 10 . 1 1 125 125 PHE C C 125 176.083 176.083 176.255 -0.172 18152 6943 1 10 . 1 1 125 125 PHE CA C 125 58.918 58.918 59.984 -1.067 18152 6944 1 10 . 1 1 125 125 PHE CB C 125 38.624 38.624 38.243 0.381 18152 6945 1 10 . 1 1 125 125 PHE H H 125 7.334 7.334 8.785 -1.451 18152 6946 1 10 . 1 1 126 126 ASP N N 126 114.938 114.938 116.389 -1.451 18152 6947 1 10 . 1 1 126 126 ASP HA H 126 4.548 4.548 4.171 0.377 18152 6948 1 10 . 1 1 126 126 ASP C C 126 175.285 175.285 175.079 0.206 18152 6949 1 10 . 1 1 126 126 ASP CA C 126 51.974 51.974 53.522 -1.548 18152 6950 1 10 . 1 1 126 126 ASP CB C 126 39.454 39.454 40.636 -1.182 18152 6951 1 10 . 1 1 126 126 ASP H H 126 8.179 8.179 6.699 1.480 18152 6952 1 10 . 1 1 127 127 TYR N N 127 121.170 121.170 119.159 2.011 18152 6953 1 10 . 1 1 127 127 TYR HA H 127 3.947 3.947 4.485 -0.538 18152 6954 1 10 . 1 1 127 127 TYR C C 127 175.022 175.022 174.167 0.855 18152 6955 1 10 . 1 1 127 127 TYR CA C 127 58.734 58.734 57.603 1.131 18152 6956 1 10 . 1 1 127 127 TYR CB C 127 39.330 39.330 40.154 -0.824 18152 6957 1 10 . 1 1 127 127 TYR H H 127 7.196 7.196 7.595 -0.399 18152 6958 1 10 . 1 1 128 128 ILE N N 128 127.293 127.293 122.791 4.502 18152 6959 1 10 . 1 1 128 128 ILE HA H 128 4.081 4.081 3.935 0.146 18152 6960 1 10 . 1 1 128 128 ILE C C 128 174.579 174.579 175.327 -0.748 18152 6961 1 10 . 1 1 128 128 ILE CA C 128 60.165 60.165 60.720 -0.555 18152 6962 1 10 . 1 1 128 128 ILE CB C 128 37.120 37.120 38.092 -0.972 18152 6963 1 10 . 1 1 128 128 ILE H H 128 7.634 7.634 6.901 0.733 18152 6964 1 10 . 1 1 129 129 GLY N N 129 114.862 114.862 116.979 -2.117 18152 6965 1 10 . 1 1 129 129 GLY C C 129 172.992 172.992 173.917 -0.925 18152 6966 1 10 . 1 1 129 129 GLY CA C 129 43.458 43.458 45.261 -1.803 18152 6967 1 10 . 1 1 129 129 GLY H H 129 8.150 8.150 8.582 -0.432 18152 6968 1 10 . 1 1 130 130 ASP N N 130 122.165 122.165 127.428 -5.263 18152 6969 1 10 . 1 1 130 130 ASP HA H 130 4.639 4.639 4.738 -0.099 18152 6970 1 10 . 1 1 130 130 ASP C C 130 174.579 174.579 175.364 -0.785 18152 6971 1 10 . 1 1 130 130 ASP CA C 130 53.344 53.344 53.174 0.170 18152 6972 1 10 . 1 1 130 130 ASP CB C 130 39.979 39.979 40.727 -0.748 18152 6973 1 10 . 1 1 130 130 ASP H H 130 8.541 8.541 8.610 -0.069 18152 6974 1 10 . 1 1 131 131 ALA N N 131 129.087 129.087 128.488 0.599 18152 6975 1 10 . 1 1 131 131 ALA HA H 131 3.673 3.673 3.862 -0.189 18152 6976 1 10 . 1 1 131 131 ALA C C 131 176.791 176.791 176.069 0.722 18152 6977 1 10 . 1 1 131 131 ALA CA C 131 50.186 50.186 50.508 -0.321 18152 6978 1 10 . 1 1 131 131 ALA CB C 131 17.692 17.692 18.440 -0.748 18152 6979 1 10 . 1 1 131 131 ALA H H 131 8.280 8.280 7.987 0.293 18152 6980 1 10 . 1 1 133 133 ASP N N 133 117.477 117.477 116.037 1.440 18152 6981 1 10 . 1 1 133 133 ASP HA H 133 5.512 5.512 4.469 1.043 18152 6982 1 10 . 1 1 133 133 ASP C C 133 175.988 175.988 175.927 0.061 18152 6983 1 10 . 1 1 133 133 ASP CA C 133 53.067 53.067 54.042 -0.975 18152 6984 1 10 . 1 1 133 133 ASP CB C 133 45.102 45.102 41.368 3.734 18152 6985 1 10 . 1 1 133 133 ASP H H 133 7.355 7.355 7.956 -0.601 18152 6986 1 10 . 1 1 134 134 ARG N N 134 120.986 120.986 122.568 -1.582 18152 6987 1 10 . 1 1 134 134 ARG HA H 134 4.871 4.871 4.666 0.205 18152 6988 1 10 . 1 1 134 134 ARG C C 134 172.288 172.288 174.759 -2.471 18152 6989 1 10 . 1 1 134 134 ARG CA C 134 53.958 53.958 54.696 -0.738 18152 6990 1 10 . 1 1 134 134 ARG CB C 134 33.787 33.787 33.067 0.720 18152 6991 1 10 . 1 1 134 134 ARG H H 134 9.308 9.308 8.596 0.712 18152 6992 1 10 . 1 1 135 135 TYR N N 135 127.342 127.342 127.796 -0.454 18152 6993 1 10 . 1 1 135 135 TYR HA H 135 4.037 4.037 4.197 -0.160 18152 6994 1 10 . 1 1 135 135 TYR C C 135 173.811 173.811 174.184 -0.373 18152 6995 1 10 . 1 1 135 135 TYR CA C 135 57.419 57.419 59.277 -1.858 18152 6996 1 10 . 1 1 135 135 TYR CB C 135 40.515 40.515 39.620 0.895 18152 6997 1 10 . 1 1 135 135 TYR H H 135 8.867 8.867 8.117 0.750 18152 6998 1 10 . 1 1 136 136 ILE N N 136 128.458 128.458 126.165 2.293 18152 6999 1 10 . 1 1 136 136 ILE HA H 136 4.133 4.133 4.421 -0.288 18152 7000 1 10 . 1 1 136 136 ILE C C 136 173.610 173.610 173.799 -0.189 18152 7001 1 10 . 1 1 136 136 ILE CA C 136 58.968 58.968 58.468 0.500 18152 7002 1 10 . 1 1 136 136 ILE CB C 136 40.998 40.998 38.821 2.177 18152 7003 1 10 . 1 1 136 136 ILE H H 136 8.569 8.569 8.251 0.318 18152 7004 1 10 . 1 1 137 137 ILE N N 137 123.623 123.623 128.264 -4.641 18152 7005 1 10 . 1 1 137 137 ILE HA H 137 4.330 4.330 4.024 0.306 18152 7006 1 10 . 1 1 137 137 ILE C C 137 173.524 173.524 173.670 -0.146 18152 7007 1 10 . 1 1 137 137 ILE CA C 137 59.873 59.873 59.717 0.156 18152 7008 1 10 . 1 1 137 137 ILE CB C 137 40.767 40.767 39.603 1.164 18152 7009 1 10 . 1 1 137 137 ILE H H 137 8.263 8.263 9.041 -0.778 18152 7010 1 10 . 1 1 138 138 GLU N N 138 127.009 127.009 129.515 -2.506 18152 7011 1 10 . 1 1 138 138 GLU HA H 138 5.219 5.219 4.854 0.365 18152 7012 1 10 . 1 1 138 138 GLU C C 138 175.383 175.383 174.631 0.752 18152 7013 1 10 . 1 1 138 138 GLU CA C 138 54.895 54.895 54.764 0.131 18152 7014 1 10 . 1 1 138 138 GLU CB C 138 33.904 33.904 32.540 1.364 18152 7015 1 10 . 1 1 138 138 GLU H H 138 9.166 9.166 7.964 1.202 18152 7016 1 10 . 1 1 139 139 ALA N N 139 132.785 132.785 128.120 4.665 18152 7017 1 10 . 1 1 139 139 ALA HA H 139 5.231 5.231 5.385 -0.154 18152 7018 1 10 . 1 1 139 139 ALA C C 139 173.789 173.789 175.104 -1.315 18152 7019 1 10 . 1 1 139 139 ALA CA C 139 50.197 50.197 50.617 -0.421 18152 7020 1 10 . 1 1 139 139 ALA CB C 139 24.262 24.262 23.454 0.808 18152 7021 1 10 . 1 1 139 139 ALA H H 139 10.313 10.313 8.815 1.498 18152 7022 1 10 . 1 1 140 140 LYS N N 140 120.672 120.672 123.010 -2.338 18152 7023 1 10 . 1 1 140 140 LYS HA H 140 5.062 5.062 5.088 -0.026 18152 7024 1 10 . 1 1 140 140 LYS C C 140 175.807 175.807 175.294 0.513 18152 7025 1 10 . 1 1 140 140 LYS CA C 140 54.250 54.250 54.282 -0.032 18152 7026 1 10 . 1 1 140 140 LYS CB C 140 34.937 34.937 36.818 -1.881 18152 7027 1 10 . 1 1 140 140 LYS H H 140 8.507 8.507 8.498 0.009 18152 7028 1 10 . 1 1 141 141 LEU N N 141 126.557 126.557 128.764 -2.207 18152 7029 1 10 . 1 1 141 141 LEU HA H 141 4.107 4.107 3.950 0.157 18152 7030 1 10 . 1 1 141 141 LEU C C 141 177.236 177.236 176.986 0.250 18152 7031 1 10 . 1 1 141 141 LEU CA C 141 56.169 56.169 55.580 0.589 18152 7032 1 10 . 1 1 141 141 LEU CB C 141 42.408 42.408 42.189 0.219 18152 7033 1 10 . 1 1 141 141 LEU H H 141 7.560 7.560 8.451 -0.891 18152 7034 1 10 . 1 1 142 142 THR N N 142 119.454 119.454 120.877 -1.423 18152 7035 1 10 . 1 1 142 142 THR HA H 142 4.522 4.522 4.472 0.050 18152 7036 1 10 . 1 1 142 142 THR C C 142 175.187 175.187 175.059 0.128 18152 7037 1 10 . 1 1 142 142 THR CA C 142 60.915 60.915 61.945 -1.030 18152 7038 1 10 . 1 1 142 142 THR CB C 142 69.490 69.490 70.718 -1.228 18152 7039 1 10 . 1 1 142 142 THR H H 142 9.562 9.562 9.210 0.352 18152 7040 1 10 . 1 1 143 143 GLY N N 143 109.946 109.946 109.495 0.451 18152 7041 1 10 . 1 1 143 143 GLY C C 143 170.713 170.713 171.697 -0.984 18152 7042 1 10 . 1 1 143 143 GLY CA C 143 45.254 45.254 44.511 0.743 18152 7043 1 10 . 1 1 143 143 GLY H H 143 7.513 7.513 7.501 0.012 18152 7044 1 10 . 1 1 144 144 SER N N 144 112.778 112.778 114.262 -1.484 18152 7045 1 10 . 1 1 144 144 SER HA H 144 5.059 5.059 5.017 0.042 18152 7046 1 10 . 1 1 144 144 SER C C 144 173.178 173.178 172.495 0.683 18152 7047 1 10 . 1 1 144 144 SER CA C 144 56.393 56.393 56.795 -0.402 18152 7048 1 10 . 1 1 144 144 SER CB C 144 65.587 65.587 66.242 -0.655 18152 7049 1 10 . 1 1 144 144 SER H H 144 7.877 7.877 7.901 -0.024 18152 7050 1 10 . 1 1 145 145 TYR N N 145 119.351 119.351 121.954 -2.603 18152 7051 1 10 . 1 1 145 145 TYR HA H 145 4.755 4.755 4.700 0.055 18152 7052 1 10 . 1 1 145 145 TYR C C 145 174.580 174.580 174.795 -0.215 18152 7053 1 10 . 1 1 145 145 TYR CA C 145 56.413 56.413 56.715 -0.302 18152 7054 1 10 . 1 1 145 145 TYR CB C 145 40.096 40.096 42.364 -2.268 18152 7055 1 10 . 1 1 145 145 TYR H H 145 8.374 8.374 9.109 -0.735 18152 7056 1 10 . 1 1 146 146 SER N N 146 117.533 117.533 117.349 0.184 18152 7057 1 10 . 1 1 146 146 SER HA H 146 4.564 4.564 4.618 -0.054 18152 7058 1 10 . 1 1 146 146 SER CA C 146 58.000 58.000 57.484 0.516 18152 7059 1 10 . 1 1 146 146 SER CB C 146 63.905 63.905 64.828 -0.923 18152 7060 1 10 . 1 1 146 146 SER H H 146 8.502 8.502 8.501 0.001 18152 7061 1 11 . 1 1 7 7 GLN N N 7 122.485 122.485 122.819 -0.334 18152 7062 1 11 . 1 1 7 7 GLN CA C 7 55.218 55.218 55.120 0.098 18152 7063 1 11 . 1 1 7 7 GLN CB C 7 28.842 28.842 31.689 -2.847 18152 7064 1 11 . 1 1 7 7 GLN H H 7 8.175 8.175 7.917 0.258 18152 7065 1 11 . 1 1 8 8 THR N N 8 115.244 115.244 118.398 -3.154 18152 7066 1 11 . 1 1 8 8 THR HA H 8 4.189 4.189 4.184 0.005 18152 7067 1 11 . 1 1 8 8 THR C C 8 173.961 173.961 174.285 -0.324 18152 7068 1 11 . 1 1 8 8 THR CA C 8 61.486 61.486 63.423 -1.937 18152 7069 1 11 . 1 1 8 8 THR CB C 8 69.316 69.316 69.102 0.214 18152 7070 1 11 . 1 1 8 8 THR H H 8 8.027 8.027 8.532 -0.505 18152 7071 1 11 . 1 1 9 9 GLU N N 9 123.496 123.496 126.629 -3.133 18152 7072 1 11 . 1 1 9 9 GLU HA H 9 4.060 4.060 4.007 0.053 18152 7073 1 11 . 1 1 9 9 GLU C C 9 175.555 175.555 175.130 0.425 18152 7074 1 11 . 1 1 9 9 GLU CA C 9 55.868 55.868 56.096 -0.229 18152 7075 1 11 . 1 1 9 9 GLU CB C 9 29.611 29.611 30.701 -1.090 18152 7076 1 11 . 1 1 9 9 GLU H H 9 8.225 8.225 8.909 -0.684 18152 7077 1 11 . 1 1 10 10 HIS N N 10 119.084 119.084 111.430 7.654 18152 7078 1 11 . 1 1 10 10 HIS HA H 10 4.384 4.384 4.003 0.381 18152 7079 1 11 . 1 1 10 10 HIS C C 10 173.742 173.742 173.825 -0.083 18152 7080 1 11 . 1 1 10 10 HIS CA C 10 53.932 53.932 56.496 -2.564 18152 7081 1 11 . 1 1 10 10 HIS CB C 10 28.922 28.922 27.062 1.860 18152 7082 1 11 . 1 1 10 10 HIS H H 10 7.357 7.357 8.531 -1.174 18152 7083 1 11 . 1 1 11 11 LYS N N 11 121.509 121.509 121.061 0.448 18152 7084 1 11 . 1 1 11 11 LYS HA H 11 4.469 4.469 4.432 0.037 18152 7085 1 11 . 1 1 11 11 LYS C C 11 176.210 176.210 176.857 -0.647 18152 7086 1 11 . 1 1 11 11 LYS CA C 11 54.245 54.245 55.792 -1.547 18152 7087 1 11 . 1 1 11 11 LYS CB C 11 33.548 33.548 32.876 0.673 18152 7088 1 11 . 1 1 11 11 LYS H H 11 8.409 8.409 8.098 0.311 18152 7089 1 11 . 1 1 12 12 GLU N N 12 123.025 123.025 121.509 1.516 18152 7090 1 11 . 1 1 12 12 GLU HA H 12 4.240 4.240 4.306 -0.066 18152 7091 1 11 . 1 1 12 12 GLU C C 12 178.023 178.023 177.711 0.312 18152 7092 1 11 . 1 1 12 12 GLU CA C 12 58.350 58.350 57.972 0.378 18152 7093 1 11 . 1 1 12 12 GLU CB C 12 29.254 29.254 29.514 -0.260 18152 7094 1 11 . 1 1 12 12 GLU H H 12 8.929 8.929 8.607 0.322 18152 7095 1 11 . 1 1 13 13 GLY N N 13 113.216 113.216 113.541 -0.325 18152 7096 1 11 . 1 1 13 13 GLY C C 13 174.141 174.141 174.001 0.140 18152 7097 1 11 . 1 1 13 13 GLY CA C 13 45.243 45.243 45.090 0.153 18152 7098 1 11 . 1 1 13 13 GLY H H 13 9.714 9.714 9.526 0.188 18152 7099 1 11 . 1 1 14 14 GLU N N 14 120.782 120.782 120.538 0.244 18152 7100 1 11 . 1 1 14 14 GLU HA H 14 4.472 4.472 4.757 -0.285 18152 7101 1 11 . 1 1 14 14 GLU C C 14 176.436 176.436 175.586 0.850 18152 7102 1 11 . 1 1 14 14 GLU CA C 14 55.641 55.641 54.511 1.130 18152 7103 1 11 . 1 1 14 14 GLU CB C 14 30.989 30.989 32.679 -1.690 18152 7104 1 11 . 1 1 14 14 GLU H H 14 8.289 8.289 7.816 0.473 18152 7105 1 11 . 1 1 15 15 LYS N N 15 125.126 125.126 127.052 -1.926 18152 7106 1 11 . 1 1 15 15 LYS HA H 15 4.100 4.100 3.441 0.659 18152 7107 1 11 . 1 1 15 15 LYS C C 15 176.970 176.970 176.461 0.509 18152 7108 1 11 . 1 1 15 15 LYS CA C 15 57.098 57.098 57.234 -0.136 18152 7109 1 11 . 1 1 15 15 LYS CB C 15 31.680 31.680 31.619 0.061 18152 7110 1 11 . 1 1 15 15 LYS H H 15 8.978 8.978 8.834 0.144 18152 7111 1 11 . 1 1 16 16 VAL N N 16 119.214 119.214 120.830 -1.616 18152 7112 1 11 . 1 1 16 16 VAL HA H 16 4.572 4.572 4.242 0.330 18152 7113 1 11 . 1 1 16 16 VAL C C 16 174.148 174.148 174.438 -0.290 18152 7114 1 11 . 1 1 16 16 VAL CA C 16 60.141 60.141 61.533 -1.392 18152 7115 1 11 . 1 1 16 16 VAL CB C 16 34.881 34.881 33.406 1.475 18152 7116 1 11 . 1 1 16 16 VAL H H 16 8.976 8.976 8.347 0.629 18152 7117 1 11 . 1 1 17 17 ALA N N 17 121.368 121.368 121.202 0.166 18152 7118 1 11 . 1 1 17 17 ALA HA H 17 5.186 5.186 4.940 0.246 18152 7119 1 11 . 1 1 17 17 ALA C C 17 174.664 174.664 174.924 -0.260 18152 7120 1 11 . 1 1 17 17 ALA CA C 17 51.098 51.098 50.291 0.807 18152 7121 1 11 . 1 1 17 17 ALA CB C 17 22.853 22.853 22.539 0.314 18152 7122 1 11 . 1 1 17 17 ALA H H 17 8.069 8.069 7.497 0.572 18152 7123 1 11 . 1 1 18 18 MET N N 18 116.475 116.475 120.255 -3.780 18152 7124 1 11 . 1 1 18 18 MET HA H 18 5.303 5.303 5.049 0.254 18152 7125 1 11 . 1 1 18 18 MET C C 18 174.413 174.413 174.149 0.264 18152 7126 1 11 . 1 1 18 18 MET CA C 18 53.607 53.607 54.204 -0.597 18152 7127 1 11 . 1 1 18 18 MET CB C 18 35.038 35.038 37.021 -1.983 18152 7128 1 11 . 1 1 18 18 MET H H 18 8.142 8.142 8.261 -0.119 18152 7129 1 11 . 1 1 19 19 LEU N N 19 126.244 126.244 128.406 -2.162 18152 7130 1 11 . 1 1 19 19 LEU HA H 19 5.268 5.268 5.559 -0.291 18152 7131 1 11 . 1 1 19 19 LEU C C 19 173.617 173.617 174.446 -0.829 18152 7132 1 11 . 1 1 19 19 LEU CA C 19 52.851 52.851 53.356 -0.505 18152 7133 1 11 . 1 1 19 19 LEU CB C 19 44.705 44.705 44.811 -0.106 18152 7134 1 11 . 1 1 19 19 LEU H H 19 9.369 9.369 9.495 -0.126 18152 7135 1 11 . 1 1 20 20 ASN N N 20 126.596 126.596 125.519 1.077 18152 7136 1 11 . 1 1 20 20 ASN HA H 20 5.340 5.340 5.353 -0.013 18152 7137 1 11 . 1 1 20 20 ASN C C 20 174.316 174.316 174.182 0.134 18152 7138 1 11 . 1 1 20 20 ASN CA C 20 51.344 51.344 52.334 -0.990 18152 7139 1 11 . 1 1 20 20 ASN CB C 20 40.972 40.972 42.086 -1.114 18152 7140 1 11 . 1 1 20 20 ASN H H 20 10.032 10.032 9.113 0.919 18152 7141 1 11 . 1 1 21 21 ILE N N 21 123.799 123.799 126.060 -2.261 18152 7142 1 11 . 1 1 21 21 ILE HA H 21 4.829 4.829 4.822 0.007 18152 7143 1 11 . 1 1 21 21 ILE C C 21 174.409 174.409 174.875 -0.466 18152 7144 1 11 . 1 1 21 21 ILE CA C 21 58.243 58.243 58.361 -0.117 18152 7145 1 11 . 1 1 21 21 ILE CB C 21 37.477 37.477 38.611 -1.133 18152 7146 1 11 . 1 1 21 21 ILE H H 21 8.614 8.614 9.302 -0.688 18152 7147 1 11 . 1 1 22 22 PRO HA H 22 4.178 4.178 4.393 -0.215 18152 7148 1 11 . 1 1 22 22 PRO CA C 22 65.629 65.629 65.335 0.294 18152 7149 1 11 . 1 1 22 22 PRO CB C 22 31.806 31.806 32.023 -0.217 18152 7150 1 11 . 1 1 23 23 LYS N N 23 118.170 118.170 118.606 -0.436 18152 7151 1 11 . 1 1 23 23 LYS HA H 23 3.943 3.943 4.104 -0.161 18152 7152 1 11 . 1 1 23 23 LYS C C 23 177.231 177.231 177.532 -0.301 18152 7153 1 11 . 1 1 23 23 LYS CA C 23 58.643 58.643 58.953 -0.309 18152 7154 1 11 . 1 1 23 23 LYS CB C 23 33.171 33.171 32.452 0.719 18152 7155 1 11 . 1 1 23 23 LYS H H 23 9.365 9.365 8.362 1.003 18152 7156 1 11 . 1 1 24 24 LEU N N 24 111.984 111.984 117.838 -5.854 18152 7157 1 11 . 1 1 24 24 LEU HA H 24 4.319 4.319 4.416 -0.097 18152 7158 1 11 . 1 1 24 24 LEU C C 24 175.562 175.562 175.861 -0.299 18152 7159 1 11 . 1 1 24 24 LEU CA C 24 52.965 52.965 54.084 -1.119 18152 7160 1 11 . 1 1 24 24 LEU CB C 24 42.473 42.473 41.617 0.856 18152 7161 1 11 . 1 1 24 24 LEU H H 24 6.919 6.919 8.002 -1.083 18152 7162 1 11 . 1 1 25 25 LYS N N 25 115.814 115.814 115.782 0.032 18152 7163 1 11 . 1 1 25 25 LYS HA H 25 3.849 3.849 4.017 -0.168 18152 7164 1 11 . 1 1 25 25 LYS C C 25 175.297 175.297 175.786 -0.489 18152 7165 1 11 . 1 1 25 25 LYS CA C 25 56.598 56.598 57.462 -0.864 18152 7166 1 11 . 1 1 25 25 LYS CB C 25 28.918 28.918 30.137 -1.220 18152 7167 1 11 . 1 1 25 25 LYS H H 25 7.912 7.912 7.845 0.067 18152 7168 1 11 . 1 1 26 26 LYS N N 26 115.145 115.145 117.873 -2.728 18152 7169 1 11 . 1 1 26 26 LYS HA H 26 4.559 4.559 4.463 0.096 18152 7170 1 11 . 1 1 26 26 LYS C C 26 173.961 173.961 174.251 -0.290 18152 7171 1 11 . 1 1 26 26 LYS CA C 26 53.788 53.788 54.476 -0.688 18152 7172 1 11 . 1 1 26 26 LYS CB C 26 37.483 37.483 36.954 0.529 18152 7173 1 11 . 1 1 26 26 LYS H H 26 6.765 6.765 8.028 -1.263 18152 7174 1 11 . 1 1 27 27 LYS N N 27 119.758 119.758 119.631 0.127 18152 7175 1 11 . 1 1 27 27 LYS HA H 27 5.452 5.452 5.171 0.281 18152 7176 1 11 . 1 1 27 27 LYS C C 27 175.482 175.482 175.088 0.394 18152 7177 1 11 . 1 1 27 27 LYS CA C 27 53.883 53.883 54.919 -1.036 18152 7178 1 11 . 1 1 27 27 LYS CB C 27 35.855 35.855 36.095 -0.240 18152 7179 1 11 . 1 1 27 27 LYS H H 27 7.885 7.885 7.923 -0.038 18152 7180 1 11 . 1 1 28 28 PHE N N 28 119.077 119.077 121.264 -2.187 18152 7181 1 11 . 1 1 28 28 PHE HA H 28 4.871 4.871 4.845 0.026 18152 7182 1 11 . 1 1 28 28 PHE C C 28 175.477 175.477 173.672 1.805 18152 7183 1 11 . 1 1 28 28 PHE CA C 28 56.100 56.100 56.955 -0.855 18152 7184 1 11 . 1 1 28 28 PHE CB C 28 42.734 42.734 44.134 -1.400 18152 7185 1 11 . 1 1 28 28 PHE H H 28 9.397 9.397 9.440 -0.043 18152 7186 1 11 . 1 1 29 29 SER N N 29 121.189 121.189 117.494 3.695 18152 7187 1 11 . 1 1 29 29 SER HA H 29 4.848 4.848 4.762 0.086 18152 7188 1 11 . 1 1 29 29 SER C C 29 172.010 172.010 173.849 -1.839 18152 7189 1 11 . 1 1 29 29 SER CA C 29 59.961 59.961 58.121 1.840 18152 7190 1 11 . 1 1 29 29 SER CB C 29 64.433 64.433 63.759 0.674 18152 7191 1 11 . 1 1 29 29 SER H H 29 9.010 9.010 8.822 0.188 18152 7192 1 11 . 1 1 30 30 ILE N N 30 120.881 120.881 126.795 -5.914 18152 7193 1 11 . 1 1 30 30 ILE HA H 30 4.942 4.942 4.282 0.660 18152 7194 1 11 . 1 1 30 30 ILE C C 30 174.874 174.874 175.012 -0.138 18152 7195 1 11 . 1 1 30 30 ILE CA C 30 57.775 57.775 61.139 -3.364 18152 7196 1 11 . 1 1 30 30 ILE CB C 30 38.001 38.001 38.607 -0.606 18152 7197 1 11 . 1 1 30 30 ILE H H 30 8.084 8.084 8.916 -0.832 18152 7198 1 11 . 1 1 31 31 TYR N N 31 127.573 127.573 126.532 1.041 18152 7199 1 11 . 1 1 31 31 TYR HA H 31 5.299 5.299 4.930 0.369 18152 7200 1 11 . 1 1 31 31 TYR C C 31 174.806 174.806 175.444 -0.638 18152 7201 1 11 . 1 1 31 31 TYR CA C 31 56.120 56.120 56.740 -0.620 18152 7202 1 11 . 1 1 31 31 TYR CB C 31 41.139 41.139 40.823 0.316 18152 7203 1 11 . 1 1 31 31 TYR H H 31 9.174 9.174 8.489 0.685 18152 7204 1 11 . 1 1 32 32 TRP N N 32 121.993 121.993 125.661 -3.668 18152 7205 1 11 . 1 1 32 32 TRP HA H 32 4.583 4.583 4.450 0.133 18152 7206 1 11 . 1 1 32 32 TRP C C 32 175.194 175.194 176.258 -1.064 18152 7207 1 11 . 1 1 32 32 TRP CA C 32 57.396 57.396 59.445 -2.049 18152 7208 1 11 . 1 1 32 32 TRP CB C 32 29.670 29.670 30.779 -1.109 18152 7209 1 11 . 1 1 32 32 TRP H H 32 9.007 9.007 8.994 0.013 18152 7210 1 11 . 1 1 33 33 GLY N N 33 120.470 120.470 113.144 7.326 18152 7211 1 11 . 1 1 33 33 GLY C C 33 171.936 171.936 172.356 -0.420 18152 7212 1 11 . 1 1 33 33 GLY CA C 33 44.532 44.532 44.398 0.134 18152 7213 1 11 . 1 1 33 33 GLY H H 33 7.758 7.758 7.384 0.374 18152 7214 1 11 . 1 1 34 34 ALA N N 34 120.239 120.239 125.630 -5.391 18152 7215 1 11 . 1 1 34 34 ALA HA H 34 4.447 4.447 4.412 0.035 18152 7216 1 11 . 1 1 34 34 ALA C C 34 176.174 176.174 176.389 -0.215 18152 7217 1 11 . 1 1 34 34 ALA CA C 34 49.913 49.913 50.752 -0.839 18152 7218 1 11 . 1 1 34 34 ALA CB C 34 18.955 18.955 19.084 -0.129 18152 7219 1 11 . 1 1 34 34 ALA H H 34 7.883 7.883 8.106 -0.223 18152 7220 1 11 . 1 1 35 35 ASP N N 35 118.828 118.828 124.654 -5.826 18152 7221 1 11 . 1 1 35 35 ASP HA H 35 4.450 4.450 4.602 -0.152 18152 7222 1 11 . 1 1 35 35 ASP C C 35 175.990 175.990 176.939 -0.949 18152 7223 1 11 . 1 1 35 35 ASP CA C 35 53.030 53.030 54.491 -1.461 18152 7224 1 11 . 1 1 35 35 ASP CB C 35 41.508 41.508 41.826 -0.318 18152 7225 1 11 . 1 1 35 35 ASP H H 35 7.944 7.944 8.210 -0.266 18152 7226 1 11 . 1 1 36 36 ASP N N 36 121.051 121.051 123.095 -2.044 18152 7227 1 11 . 1 1 36 36 ASP HA H 36 4.335 4.335 4.524 -0.189 18152 7228 1 11 . 1 1 36 36 ASP C C 36 177.296 177.296 176.400 0.896 18152 7229 1 11 . 1 1 36 36 ASP CA C 36 55.183 55.183 54.276 0.907 18152 7230 1 11 . 1 1 36 36 ASP CB C 36 39.837 39.837 40.491 -0.654 18152 7231 1 11 . 1 1 36 36 ASP H H 36 8.509 8.509 8.621 -0.112 18152 7232 1 11 . 1 1 37 37 ALA N N 37 119.568 119.568 122.012 -2.444 18152 7233 1 11 . 1 1 37 37 ALA HA H 37 4.060 4.060 4.179 -0.119 18152 7234 1 11 . 1 1 37 37 ALA C C 37 179.598 179.598 177.952 1.646 18152 7235 1 11 . 1 1 37 37 ALA CA C 37 53.967 53.967 53.568 0.399 18152 7236 1 11 . 1 1 37 37 ALA CB C 37 18.009 18.009 18.919 -0.910 18152 7237 1 11 . 1 1 37 37 ALA H H 37 8.169 8.169 7.781 0.388 18152 7238 1 11 . 1 1 38 38 THR HA H 38 3.850 3.850 4.300 -0.450 18152 7239 1 11 . 1 1 38 38 THR CA C 38 68.437 68.437 62.296 6.141 18152 7240 1 11 . 1 1 38 38 THR CB C 38 72.916 72.916 69.629 3.287 18152 7241 1 11 . 1 1 38 38 THR H H 38 7.621 7.621 7.584 0.037 18152 7242 1 11 . 1 1 42 42 GLY N N 42 106.310 106.310 106.421 -0.111 18152 7243 1 11 . 1 1 42 42 GLY CA C 42 46.480 46.480 45.174 1.306 18152 7244 1 11 . 1 1 43 43 VAL N N 43 121.961 121.961 121.544 0.417 18152 7245 1 11 . 1 1 43 43 VAL HA H 43 4.481 4.481 4.362 0.119 18152 7246 1 11 . 1 1 43 43 VAL C C 43 174.308 174.308 173.685 0.623 18152 7247 1 11 . 1 1 43 43 VAL CA C 43 61.079 61.079 62.720 -1.641 18152 7248 1 11 . 1 1 43 43 VAL CB C 43 32.911 32.911 34.389 -1.478 18152 7249 1 11 . 1 1 43 43 VAL H H 43 8.247 8.247 7.782 0.465 18152 7250 1 11 . 1 1 44 44 GLY N N 44 114.325 114.325 114.341 -0.016 18152 7251 1 11 . 1 1 44 44 GLY C C 44 172.465 172.465 172.053 0.412 18152 7252 1 11 . 1 1 44 44 GLY CA C 44 43.458 43.458 43.324 0.134 18152 7253 1 11 . 1 1 44 44 GLY H H 44 9.063 9.063 8.323 0.740 18152 7254 1 11 . 1 1 45 45 MET N N 45 125.031 125.031 122.803 2.228 18152 7255 1 11 . 1 1 45 45 MET HA H 45 4.742 4.742 5.029 -0.287 18152 7256 1 11 . 1 1 45 45 MET C C 45 173.873 173.873 174.157 -0.284 18152 7257 1 11 . 1 1 45 45 MET CA C 45 54.084 54.084 53.382 0.702 18152 7258 1 11 . 1 1 45 45 MET CB C 45 34.548 34.548 34.642 -0.094 18152 7259 1 11 . 1 1 45 45 MET H H 45 8.966 8.966 9.002 -0.036 18152 7260 1 11 . 1 1 46 46 PHE N N 46 127.637 127.637 127.274 0.363 18152 7261 1 11 . 1 1 46 46 PHE HA H 46 3.611 3.611 4.247 -0.636 18152 7262 1 11 . 1 1 46 46 PHE C C 46 175.023 175.023 174.329 0.694 18152 7263 1 11 . 1 1 46 46 PHE CA C 46 59.286 59.286 58.939 0.347 18152 7264 1 11 . 1 1 46 46 PHE CB C 46 40.644 40.644 39.643 1.001 18152 7265 1 11 . 1 1 46 46 PHE H H 46 8.790 8.790 8.117 0.673 18152 7266 1 11 . 1 1 47 47 VAL N N 47 130.695 130.695 127.499 3.196 18152 7267 1 11 . 1 1 47 47 VAL HA H 47 3.663 3.663 3.781 -0.118 18152 7268 1 11 . 1 1 47 47 VAL C C 47 174.235 174.235 174.238 -0.003 18152 7269 1 11 . 1 1 47 47 VAL CA C 47 61.455 61.455 61.661 -0.206 18152 7270 1 11 . 1 1 47 47 VAL CB C 47 32.002 32.002 32.919 -0.916 18152 7271 1 11 . 1 1 47 47 VAL H H 47 7.942 7.942 7.365 0.577 18152 7272 1 11 . 1 1 48 48 SER N N 48 120.391 120.391 123.151 -2.760 18152 7273 1 11 . 1 1 48 48 SER HA H 48 4.626 4.626 4.536 0.090 18152 7274 1 11 . 1 1 48 48 SER C C 48 173.167 173.167 173.739 -0.572 18152 7275 1 11 . 1 1 48 48 SER CA C 48 57.384 57.384 57.344 0.040 18152 7276 1 11 . 1 1 48 48 SER CB C 48 65.720 65.720 65.601 0.119 18152 7277 1 11 . 1 1 48 48 SER H H 48 7.971 7.971 8.735 -0.764 18152 7278 1 11 . 1 1 49 49 ASP N N 49 117.498 117.498 120.475 -2.977 18152 7279 1 11 . 1 1 49 49 ASP HA H 49 4.603 4.603 4.667 -0.064 18152 7280 1 11 . 1 1 49 49 ASP C C 49 174.539 174.539 175.908 -1.369 18152 7281 1 11 . 1 1 49 49 ASP CA C 49 55.222 55.222 54.930 0.292 18152 7282 1 11 . 1 1 49 49 ASP CB C 49 40.206 40.206 40.069 0.138 18152 7283 1 11 . 1 1 49 49 ASP H H 49 8.701 8.701 8.790 -0.089 18152 7284 1 11 . 1 1 50 50 VAL N N 50 109.465 109.465 108.756 0.709 18152 7285 1 11 . 1 1 50 50 VAL HA H 50 4.455 4.455 4.574 -0.119 18152 7286 1 11 . 1 1 50 50 VAL C C 50 174.487 174.487 175.428 -0.941 18152 7287 1 11 . 1 1 50 50 VAL CA C 50 60.840 60.840 61.648 -0.808 18152 7288 1 11 . 1 1 50 50 VAL CB C 50 32.067 32.067 34.019 -1.952 18152 7289 1 11 . 1 1 50 50 VAL H H 50 7.770 7.770 7.105 0.665 18152 7290 1 11 . 1 1 51 51 THR N N 51 110.572 110.572 115.416 -4.844 18152 7291 1 11 . 1 1 51 51 THR HA H 51 5.293 5.293 4.487 0.806 18152 7292 1 11 . 1 1 51 51 THR C C 51 174.591 174.591 174.961 -0.370 18152 7293 1 11 . 1 1 51 51 THR CA C 51 58.487 58.487 61.370 -2.883 18152 7294 1 11 . 1 1 51 51 THR CB C 51 71.674 71.674 69.879 1.794 18152 7295 1 11 . 1 1 51 51 THR H H 51 7.095 7.095 7.499 -0.404 18152 7296 1 11 . 1 1 52 52 THR N N 52 109.706 109.706 115.465 -5.759 18152 7297 1 11 . 1 1 52 52 THR HA H 52 4.988 4.988 4.846 0.142 18152 7298 1 11 . 1 1 52 52 THR C C 52 177.060 177.060 173.661 3.399 18152 7299 1 11 . 1 1 52 52 THR CA C 52 59.777 59.777 60.054 -0.277 18152 7300 1 11 . 1 1 52 52 THR CB C 52 72.911 72.911 71.538 1.373 18152 7301 1 11 . 1 1 52 52 THR H H 52 8.836 8.836 9.128 -0.292 18152 7302 1 11 . 1 1 53 53 THR N N 53 113.970 113.970 110.457 3.513 18152 7303 1 11 . 1 1 53 53 THR HA H 53 4.601 4.601 4.849 -0.248 18152 7304 1 11 . 1 1 53 53 THR C C 53 176.085 176.085 173.747 2.338 18152 7305 1 11 . 1 1 53 53 THR CA C 53 60.920 60.920 57.962 2.958 18152 7306 1 11 . 1 1 53 53 THR CB C 53 67.192 67.192 70.062 -2.870 18152 7307 1 11 . 1 1 53 53 THR H H 53 8.857 8.857 8.156 0.701 18152 7308 1 11 . 1 1 54 54 PRO HA H 54 4.023 4.023 4.605 -0.582 18152 7309 1 11 . 1 1 54 54 PRO CA C 54 64.658 64.658 62.947 1.711 18152 7310 1 11 . 1 1 54 54 PRO CB C 54 29.665 29.665 30.060 -0.395 18152 7311 1 11 . 1 1 55 55 SER N N 55 105.932 105.932 114.996 -9.064 18152 7312 1 11 . 1 1 55 55 SER HA H 55 4.448 4.448 4.344 0.104 18152 7313 1 11 . 1 1 55 55 SER C C 55 176.253 176.253 173.676 2.577 18152 7314 1 11 . 1 1 55 55 SER CA C 55 58.086 58.086 57.976 0.110 18152 7315 1 11 . 1 1 55 55 SER CB C 55 62.950 62.950 64.302 -1.352 18152 7316 1 11 . 1 1 55 55 SER H H 55 6.879 6.879 7.926 -1.047 18152 7317 1 11 . 1 1 56 56 GLY N N 56 109.826 109.826 109.054 0.772 18152 7318 1 11 . 1 1 56 56 GLY C C 56 175.832 175.832 173.556 2.276 18152 7319 1 11 . 1 1 56 56 GLY CA C 56 45.213 45.213 45.341 -0.128 18152 7320 1 11 . 1 1 56 56 GLY H H 56 7.733 7.733 7.111 0.622 18152 7321 1 11 . 1 1 57 57 GLY N N 57 105.805 105.805 110.742 -4.937 18152 7322 1 11 . 1 1 57 57 GLY C C 57 172.905 172.905 173.558 -0.653 18152 7323 1 11 . 1 1 57 57 GLY CA C 57 46.480 46.480 45.543 0.937 18152 7324 1 11 . 1 1 57 57 GLY H H 57 7.481 7.481 8.503 -1.022 18152 7325 1 11 . 1 1 58 58 GLY N N 58 109.086 109.086 109.423 -0.337 18152 7326 1 11 . 1 1 58 58 GLY C C 58 172.807 172.807 172.805 0.002 18152 7327 1 11 . 1 1 58 58 GLY CA C 58 43.642 43.642 44.685 -1.043 18152 7328 1 11 . 1 1 58 58 GLY H H 58 7.549 7.549 7.891 -0.342 18152 7329 1 11 . 1 1 59 59 HIS N N 59 127.776 127.776 122.396 5.380 18152 7330 1 11 . 1 1 59 59 HIS HA H 59 5.162 5.162 4.768 0.394 18152 7331 1 11 . 1 1 59 59 HIS C C 59 174.930 174.930 174.278 0.652 18152 7332 1 11 . 1 1 59 59 HIS CA C 59 52.820 52.820 55.034 -2.214 18152 7333 1 11 . 1 1 59 59 HIS CB C 59 30.250 30.250 30.592 -0.342 18152 7334 1 11 . 1 1 59 59 HIS H H 59 9.517 9.517 9.146 0.371 18152 7335 1 11 . 1 1 60 60 THR N N 60 127.768 127.768 125.232 2.536 18152 7336 1 11 . 1 1 60 60 THR HA H 60 4.870 4.870 4.979 -0.109 18152 7337 1 11 . 1 1 60 60 THR C C 60 171.847 171.847 173.252 -1.405 18152 7338 1 11 . 1 1 60 60 THR CA C 60 61.358 61.358 62.030 -0.672 18152 7339 1 11 . 1 1 60 60 THR CB C 60 69.821 69.821 69.945 -0.124 18152 7340 1 11 . 1 1 60 60 THR H H 60 9.769 9.769 9.299 0.470 18152 7341 1 11 . 1 1 61 61 VAL N N 61 126.493 126.493 127.889 -1.396 18152 7342 1 11 . 1 1 61 61 VAL HA H 61 4.641 4.641 4.953 -0.312 18152 7343 1 11 . 1 1 61 61 VAL C C 61 173.794 173.794 174.659 -0.865 18152 7344 1 11 . 1 1 61 61 VAL CA C 61 59.808 59.808 61.163 -1.355 18152 7345 1 11 . 1 1 61 61 VAL CB C 61 33.334 33.334 33.979 -0.645 18152 7346 1 11 . 1 1 61 61 VAL H H 61 8.534 8.534 8.730 -0.196 18152 7347 1 11 . 1 1 62 62 LEU N N 62 126.342 126.342 128.140 -1.798 18152 7348 1 11 . 1 1 62 62 LEU HA H 62 5.345 5.345 5.039 0.306 18152 7349 1 11 . 1 1 62 62 LEU C C 62 175.554 175.554 175.273 0.281 18152 7350 1 11 . 1 1 62 62 LEU CA C 62 51.143 51.143 53.311 -2.168 18152 7351 1 11 . 1 1 62 62 LEU CB C 62 43.344 43.344 45.111 -1.767 18152 7352 1 11 . 1 1 62 62 LEU H H 62 9.284 9.284 9.386 -0.102 18152 7353 1 11 . 1 1 63 63 SER N N 63 116.370 116.370 116.178 0.192 18152 7354 1 11 . 1 1 63 63 SER HA H 63 5.328 5.328 5.784 -0.456 18152 7355 1 11 . 1 1 63 63 SER C C 63 174.576 174.576 173.276 1.300 18152 7356 1 11 . 1 1 63 63 SER CA C 63 54.893 54.893 55.930 -1.037 18152 7357 1 11 . 1 1 63 63 SER CB C 63 64.901 64.901 65.199 -0.298 18152 7358 1 11 . 1 1 63 63 SER H H 63 9.117 9.117 8.856 0.261 18152 7359 1 11 . 1 1 64 64 GLY N N 64 111.783 111.783 111.417 0.366 18152 7360 1 11 . 1 1 64 64 GLY C C 64 173.058 173.058 171.214 1.844 18152 7361 1 11 . 1 1 64 64 GLY CA C 64 45.547 45.547 44.779 0.768 18152 7362 1 11 . 1 1 64 64 GLY H H 64 8.723 8.723 8.059 0.664 18152 7363 1 11 . 1 1 74 74 GLY C C 74 173.703 173.703 175.399 -1.696 18152 7364 1 11 . 1 1 74 74 GLY CA C 74 45.507 45.507 46.065 -0.558 18152 7365 1 11 . 1 1 75 75 GLN N N 75 116.093 116.093 118.494 -2.401 18152 7366 1 11 . 1 1 75 75 GLN HA H 75 4.229 4.229 4.171 0.058 18152 7367 1 11 . 1 1 75 75 GLN C C 75 177.319 177.319 177.531 -0.212 18152 7368 1 11 . 1 1 75 75 GLN CA C 75 56.016 56.016 57.288 -1.272 18152 7369 1 11 . 1 1 75 75 GLN CB C 75 29.310 29.310 29.226 0.084 18152 7370 1 11 . 1 1 75 75 GLN H H 75 7.598 7.598 7.551 0.047 18152 7371 1 11 . 1 1 76 76 LEU N N 76 117.894 117.894 119.130 -1.236 18152 7372 1 11 . 1 1 76 76 LEU HA H 76 4.373 4.373 4.379 -0.006 18152 7373 1 11 . 1 1 76 76 LEU C C 76 175.639 175.639 175.595 0.044 18152 7374 1 11 . 1 1 76 76 LEU CA C 76 54.578 54.578 54.697 -0.119 18152 7375 1 11 . 1 1 76 76 LEU CB C 76 41.720 41.720 39.566 2.154 18152 7376 1 11 . 1 1 76 76 LEU H H 76 7.285 7.285 7.311 -0.026 18152 7377 1 11 . 1 1 77 77 LYS N N 77 122.287 122.287 120.115 2.172 18152 7378 1 11 . 1 1 77 77 LYS HA H 77 4.545 4.545 4.498 0.047 18152 7379 1 11 . 1 1 77 77 LYS C C 77 175.553 175.553 175.918 -0.365 18152 7380 1 11 . 1 1 77 77 LYS CA C 77 53.336 53.336 55.725 -2.389 18152 7381 1 11 . 1 1 77 77 LYS CB C 77 36.380 36.380 34.185 2.195 18152 7382 1 11 . 1 1 77 77 LYS H H 77 9.513 9.513 7.660 1.853 18152 7383 1 11 . 1 1 78 78 GLU N N 78 118.949 118.949 122.701 -3.752 18152 7384 1 11 . 1 1 78 78 GLU HA H 78 3.523 3.523 4.381 -0.858 18152 7385 1 11 . 1 1 78 78 GLU C C 78 177.053 177.053 176.701 0.352 18152 7386 1 11 . 1 1 78 78 GLU CA C 78 59.205 59.205 58.020 1.185 18152 7387 1 11 . 1 1 78 78 GLU CB C 78 28.284 28.284 29.718 -1.435 18152 7388 1 11 . 1 1 78 78 GLU H H 78 8.900 8.900 8.947 -0.047 18152 7389 1 11 . 1 1 79 79 LYS N N 79 114.843 114.843 116.761 -1.918 18152 7390 1 11 . 1 1 79 79 LYS HA H 79 3.751 3.751 4.246 -0.495 18152 7391 1 11 . 1 1 79 79 LYS C C 79 176.434 176.434 176.765 -0.331 18152 7392 1 11 . 1 1 79 79 LYS CA C 79 59.231 59.231 56.674 2.557 18152 7393 1 11 . 1 1 79 79 LYS CB C 79 29.657 29.657 32.234 -2.577 18152 7394 1 11 . 1 1 79 79 LYS H H 79 8.909 8.909 7.804 1.105 18152 7395 1 11 . 1 1 80 80 ASP N N 80 119.664 119.664 121.635 -1.971 18152 7396 1 11 . 1 1 80 80 ASP HA H 80 4.946 4.946 4.712 0.234 18152 7397 1 11 . 1 1 80 80 ASP C C 80 175.886 175.886 174.676 1.210 18152 7398 1 11 . 1 1 80 80 ASP CA C 80 55.661 55.661 54.704 0.957 18152 7399 1 11 . 1 1 80 80 ASP CB C 80 41.782 41.782 41.868 -0.086 18152 7400 1 11 . 1 1 80 80 ASP H H 80 8.052 8.052 7.576 0.476 18152 7401 1 11 . 1 1 81 81 THR N N 81 111.597 111.597 115.255 -3.658 18152 7402 1 11 . 1 1 81 81 THR HA H 81 5.321 5.321 4.905 0.416 18152 7403 1 11 . 1 1 81 81 THR C C 81 174.221 174.221 173.835 0.386 18152 7404 1 11 . 1 1 81 81 THR CA C 81 61.103 61.103 61.285 -0.182 18152 7405 1 11 . 1 1 81 81 THR CB C 81 71.264 71.264 71.089 0.175 18152 7406 1 11 . 1 1 81 81 THR H H 81 8.083 8.083 8.234 -0.151 18152 7407 1 11 . 1 1 82 82 LEU N N 82 120.358 120.358 127.170 -6.812 18152 7408 1 11 . 1 1 82 82 LEU HA H 82 4.836 4.836 4.619 0.217 18152 7409 1 11 . 1 1 82 82 LEU C C 82 174.850 174.850 176.171 -1.321 18152 7410 1 11 . 1 1 82 82 LEU CA C 82 53.721 53.721 54.333 -0.612 18152 7411 1 11 . 1 1 82 82 LEU CB C 82 45.655 45.655 42.806 2.849 18152 7412 1 11 . 1 1 82 82 LEU H H 82 8.684 8.684 8.415 0.269 18152 7413 1 11 . 1 1 83 83 VAL N N 83 121.834 121.834 123.263 -1.429 18152 7414 1 11 . 1 1 83 83 VAL HA H 83 5.269 5.269 5.337 -0.068 18152 7415 1 11 . 1 1 83 83 VAL C C 83 174.766 174.766 175.529 -0.763 18152 7416 1 11 . 1 1 83 83 VAL CA C 83 61.157 61.157 61.171 -0.014 18152 7417 1 11 . 1 1 83 83 VAL CB C 83 34.923 34.923 33.041 1.882 18152 7418 1 11 . 1 1 83 83 VAL H H 83 8.670 8.670 8.862 -0.192 18152 7419 1 11 . 1 1 84 84 LEU N N 84 129.811 129.811 129.223 0.588 18152 7420 1 11 . 1 1 84 84 LEU HA H 84 5.647 5.647 5.128 0.519 18152 7421 1 11 . 1 1 84 84 LEU C C 84 175.644 175.644 176.086 -0.442 18152 7422 1 11 . 1 1 84 84 LEU CA C 84 53.160 53.160 53.596 -0.436 18152 7423 1 11 . 1 1 84 84 LEU CB C 84 46.815 46.815 44.391 2.424 18152 7424 1 11 . 1 1 84 84 LEU H H 84 10.025 10.025 9.552 0.473 18152 7425 1 11 . 1 1 85 85 GLU N N 85 125.273 125.273 124.817 0.456 18152 7426 1 11 . 1 1 85 85 GLU HA H 85 5.293 5.293 5.304 -0.011 18152 7427 1 11 . 1 1 85 85 GLU C C 85 175.910 175.910 175.458 0.452 18152 7428 1 11 . 1 1 85 85 GLU CA C 85 54.716 54.716 55.638 -0.922 18152 7429 1 11 . 1 1 85 85 GLU CB C 85 30.904 30.904 31.323 -0.419 18152 7430 1 11 . 1 1 85 85 GLU H H 85 9.117 9.117 9.050 0.067 18152 7431 1 11 . 1 1 86 86 TYR N N 86 125.299 125.299 126.545 -1.246 18152 7432 1 11 . 1 1 86 86 TYR HA H 86 4.825 4.825 4.833 -0.008 18152 7433 1 11 . 1 1 86 86 TYR C C 86 174.077 174.077 174.636 -0.559 18152 7434 1 11 . 1 1 86 86 TYR CA C 86 57.516 57.516 58.124 -0.608 18152 7435 1 11 . 1 1 86 86 TYR CB C 86 41.720 41.720 42.490 -0.770 18152 7436 1 11 . 1 1 86 86 TYR H H 86 9.056 9.056 9.434 -0.378 18152 7437 1 11 . 1 1 87 87 ASP N N 87 131.006 131.006 129.007 1.999 18152 7438 1 11 . 1 1 87 87 ASP HA H 87 3.921 3.921 4.377 -0.456 18152 7439 1 11 . 1 1 87 87 ASP C C 87 171.773 171.773 175.828 -4.055 18152 7440 1 11 . 1 1 87 87 ASP CA C 87 54.613 54.613 55.345 -0.732 18152 7441 1 11 . 1 1 87 87 ASP CB C 87 39.659 39.659 39.691 -0.032 18152 7442 1 11 . 1 1 87 87 ASP H H 87 9.071 9.071 9.023 0.048 18152 7443 1 11 . 1 1 88 88 ASN N N 88 109.843 109.843 112.053 -2.210 18152 7444 1 11 . 1 1 88 88 ASN HA H 88 4.159 4.159 4.357 -0.198 18152 7445 1 11 . 1 1 88 88 ASN C C 88 173.995 173.995 173.829 0.166 18152 7446 1 11 . 1 1 88 88 ASN CA C 88 54.528 54.528 54.678 -0.150 18152 7447 1 11 . 1 1 88 88 ASN CB C 88 37.383 37.383 38.511 -1.128 18152 7448 1 11 . 1 1 88 88 ASN H H 88 8.613 8.613 8.760 -0.147 18152 7449 1 11 . 1 1 89 89 LYS N N 89 119.021 119.021 118.520 0.501 18152 7450 1 11 . 1 1 89 89 LYS HA H 89 4.714 4.714 5.034 -0.320 18152 7451 1 11 . 1 1 89 89 LYS C C 89 174.644 174.644 175.778 -1.134 18152 7452 1 11 . 1 1 89 89 LYS CA C 89 55.133 55.133 55.227 -0.094 18152 7453 1 11 . 1 1 89 89 LYS CB C 89 36.460 36.460 35.531 0.929 18152 7454 1 11 . 1 1 89 89 LYS H H 89 7.903 7.903 7.951 -0.048 18152 7455 1 11 . 1 1 90 90 THR N N 90 117.141 117.141 119.916 -2.775 18152 7456 1 11 . 1 1 90 90 THR HA H 90 4.819 4.819 5.263 -0.444 18152 7457 1 11 . 1 1 90 90 THR C C 90 172.823 172.823 173.785 -0.962 18152 7458 1 11 . 1 1 90 90 THR CA C 90 61.745 61.745 60.656 1.089 18152 7459 1 11 . 1 1 90 90 THR CB C 90 69.709 69.709 69.404 0.305 18152 7460 1 11 . 1 1 90 90 THR H H 90 8.451 8.451 9.204 -0.753 18152 7461 1 11 . 1 1 91 91 TYR N N 91 127.333 127.333 126.729 0.604 18152 7462 1 11 . 1 1 91 91 TYR HA H 91 4.620 4.620 4.730 -0.110 18152 7463 1 11 . 1 1 91 91 TYR C C 91 174.313 174.313 175.773 -1.460 18152 7464 1 11 . 1 1 91 91 TYR CA C 91 56.764 56.764 56.754 0.010 18152 7465 1 11 . 1 1 91 91 TYR CB C 91 41.054 41.054 40.634 0.420 18152 7466 1 11 . 1 1 91 91 TYR H H 91 9.552 9.552 9.694 -0.142 18152 7467 1 11 . 1 1 92 92 THR N N 92 117.709 117.709 121.340 -3.631 18152 7468 1 11 . 1 1 92 92 THR HA H 92 4.941 4.941 4.703 0.238 18152 7469 1 11 . 1 1 92 92 THR C C 92 172.464 172.464 173.709 -1.245 18152 7470 1 11 . 1 1 92 92 THR CA C 92 61.320 61.320 62.006 -0.686 18152 7471 1 11 . 1 1 92 92 THR CB C 92 69.546 69.546 68.407 1.139 18152 7472 1 11 . 1 1 92 92 THR H H 92 8.705 8.705 8.990 -0.285 18152 7473 1 11 . 1 1 93 93 TYR N N 93 122.946 122.946 126.940 -3.994 18152 7474 1 11 . 1 1 93 93 TYR HA H 93 5.431 5.431 5.337 0.094 18152 7475 1 11 . 1 1 93 93 TYR C C 93 174.846 174.846 174.962 -0.116 18152 7476 1 11 . 1 1 93 93 TYR CA C 93 55.804 55.804 57.499 -1.696 18152 7477 1 11 . 1 1 93 93 TYR CB C 93 42.627 42.627 41.256 1.371 18152 7478 1 11 . 1 1 93 93 TYR H H 93 9.381 9.381 9.761 -0.380 18152 7479 1 11 . 1 1 94 94 GLU N N 94 121.240 121.240 120.376 0.864 18152 7480 1 11 . 1 1 94 94 GLU HA H 94 4.901 4.901 5.040 -0.139 18152 7481 1 11 . 1 1 94 94 GLU C C 94 177.060 177.060 175.720 1.340 18152 7482 1 11 . 1 1 94 94 GLU CA C 94 54.073 54.073 53.949 0.124 18152 7483 1 11 . 1 1 94 94 GLU CB C 94 33.787 33.787 34.103 -0.316 18152 7484 1 11 . 1 1 94 94 GLU H H 94 9.100 9.100 9.263 -0.163 18152 7485 1 11 . 1 1 95 95 ILE N N 95 128.525 128.525 127.838 0.687 18152 7486 1 11 . 1 1 95 95 ILE HA H 95 3.737 3.737 4.127 -0.390 18152 7487 1 11 . 1 1 95 95 ILE C C 95 176.261 176.261 176.725 -0.464 18152 7488 1 11 . 1 1 95 95 ILE CA C 95 64.664 64.664 63.007 1.657 18152 7489 1 11 . 1 1 95 95 ILE CB C 95 37.472 37.472 36.335 1.137 18152 7490 1 11 . 1 1 95 95 ILE H H 95 9.293 9.293 8.421 0.872 18152 7491 1 11 . 1 1 96 96 GLN N N 96 127.221 127.221 129.370 -2.149 18152 7492 1 11 . 1 1 96 96 GLN HA H 96 4.831 4.831 4.238 0.593 18152 7493 1 11 . 1 1 96 96 GLN C C 96 174.674 174.674 176.020 -1.346 18152 7494 1 11 . 1 1 96 96 GLN CA C 96 54.632 54.632 58.279 -3.647 18152 7495 1 11 . 1 1 96 96 GLN CB C 96 31.165 31.165 29.669 1.496 18152 7496 1 11 . 1 1 96 96 GLN H H 96 10.106 10.106 8.560 1.546 18152 7497 1 11 . 1 1 97 97 LYS N N 97 120.717 120.717 117.119 3.598 18152 7498 1 11 . 1 1 97 97 LYS HA H 97 4.658 4.658 4.568 0.090 18152 7499 1 11 . 1 1 97 97 LYS C C 97 173.200 173.200 174.149 -0.949 18152 7500 1 11 . 1 1 97 97 LYS CA C 97 56.528 56.528 55.386 1.142 18152 7501 1 11 . 1 1 97 97 LYS CB C 97 36.462 36.462 35.310 1.152 18152 7502 1 11 . 1 1 97 97 LYS H H 97 7.958 7.958 7.628 0.330 18152 7503 1 11 . 1 1 98 98 ILE N N 98 125.089 125.089 123.178 1.911 18152 7504 1 11 . 1 1 98 98 ILE HA H 98 5.221 5.221 4.789 0.432 18152 7505 1 11 . 1 1 98 98 ILE C C 98 175.821 175.821 175.693 0.128 18152 7506 1 11 . 1 1 98 98 ILE CA C 98 60.078 60.078 58.409 1.669 18152 7507 1 11 . 1 1 98 98 ILE CB C 98 42.082 42.082 38.461 3.621 18152 7508 1 11 . 1 1 98 98 ILE H H 98 8.458 8.458 8.501 -0.043 18152 7509 1 11 . 1 1 99 99 TRP N N 99 129.003 129.003 126.181 2.822 18152 7510 1 11 . 1 1 99 99 TRP HA H 99 4.661 4.661 5.034 -0.373 18152 7511 1 11 . 1 1 99 99 TRP C C 99 170.353 170.353 172.861 -2.508 18152 7512 1 11 . 1 1 99 99 TRP CA C 99 56.388 56.388 56.080 0.308 18152 7513 1 11 . 1 1 99 99 TRP CB C 99 31.158 31.158 30.506 0.652 18152 7514 1 11 . 1 1 99 99 TRP H H 99 9.291 9.291 8.232 1.059 18152 7515 1 11 . 1 1 100 100 ILE N N 100 117.739 117.739 120.151 -2.412 18152 7516 1 11 . 1 1 100 100 ILE HA H 100 4.616 4.616 5.028 -0.412 18152 7517 1 11 . 1 1 100 100 ILE C C 100 176.258 176.258 175.322 0.936 18152 7518 1 11 . 1 1 100 100 ILE CA C 100 58.973 58.973 60.027 -1.054 18152 7519 1 11 . 1 1 100 100 ILE CB C 100 40.734 40.734 41.118 -0.384 18152 7520 1 11 . 1 1 100 100 ILE H H 100 7.778 7.778 8.453 -0.675 18152 7521 1 11 . 1 1 101 101 THR N N 101 120.676 120.676 120.422 0.254 18152 7522 1 11 . 1 1 101 101 THR HA H 101 4.755 4.755 4.917 -0.162 18152 7523 1 11 . 1 1 101 101 THR C C 101 172.069 172.069 173.290 -1.221 18152 7524 1 11 . 1 1 101 101 THR CA C 101 57.557 57.557 59.542 -1.985 18152 7525 1 11 . 1 1 101 101 THR CB C 101 70.656 70.656 71.549 -0.893 18152 7526 1 11 . 1 1 101 101 THR H H 101 8.587 8.587 8.719 -0.132 18152 7527 1 11 . 1 1 102 102 HIS N N 102 119.885 119.885 121.740 -1.855 18152 7528 1 11 . 1 1 102 102 HIS HA H 102 5.401 5.401 4.693 0.708 18152 7529 1 11 . 1 1 102 102 HIS C C 102 176.781 176.781 176.700 0.081 18152 7530 1 11 . 1 1 102 102 HIS CA C 102 54.482 54.482 57.610 -3.128 18152 7531 1 11 . 1 1 102 102 HIS CB C 102 31.240 31.240 30.786 0.454 18152 7532 1 11 . 1 1 102 102 HIS H H 102 8.194 8.194 8.926 -0.732 18152 7533 1 11 . 1 1 103 103 ALA N N 103 121.632 121.632 123.387 -1.755 18152 7534 1 11 . 1 1 103 103 ALA HA H 103 3.710 3.710 4.138 -0.428 18152 7535 1 11 . 1 1 103 103 ALA C C 103 177.587 177.587 177.286 0.301 18152 7536 1 11 . 1 1 103 103 ALA CA C 103 54.899 54.899 53.399 1.500 18152 7537 1 11 . 1 1 103 103 ALA CB C 103 17.981 17.981 19.140 -1.159 18152 7538 1 11 . 1 1 103 103 ALA H H 103 8.405 8.405 7.756 0.649 18152 7539 1 11 . 1 1 104 104 ASP N N 104 114.513 114.513 117.871 -3.358 18152 7540 1 11 . 1 1 104 104 ASP HA H 104 4.603 4.603 4.750 -0.147 18152 7541 1 11 . 1 1 104 104 ASP C C 104 175.283 175.283 175.325 -0.042 18152 7542 1 11 . 1 1 104 104 ASP CA C 104 53.070 53.070 53.429 -0.360 18152 7543 1 11 . 1 1 104 104 ASP CB C 104 40.034 40.034 41.190 -1.155 18152 7544 1 11 . 1 1 104 104 ASP H H 104 8.314 8.314 8.272 0.042 18152 7545 1 11 . 1 1 105 105 ASP N N 105 119.184 119.184 121.000 -1.816 18152 7546 1 11 . 1 1 105 105 ASP HA H 105 4.170 4.170 4.725 -0.555 18152 7547 1 11 . 1 1 105 105 ASP C C 105 177.674 177.674 177.142 0.532 18152 7548 1 11 . 1 1 105 105 ASP CA C 105 54.268 54.268 53.278 0.990 18152 7549 1 11 . 1 1 105 105 ASP CB C 105 39.846 39.846 41.008 -1.162 18152 7550 1 11 . 1 1 105 105 ASP H H 105 7.043 7.043 7.536 -0.493 18152 7551 1 11 . 1 1 106 106 ARG N N 106 127.998 127.998 127.359 0.639 18152 7552 1 11 . 1 1 106 106 ARG HA H 106 4.368 4.368 4.056 0.312 18152 7553 1 11 . 1 1 106 106 ARG C C 106 177.709 177.709 178.148 -0.439 18152 7554 1 11 . 1 1 106 106 ARG CA C 106 55.888 55.888 58.850 -2.962 18152 7555 1 11 . 1 1 106 106 ARG CB C 106 29.264 29.264 29.736 -0.472 18152 7556 1 11 . 1 1 106 106 ARG H H 106 8.921 8.921 8.117 0.804 18152 7557 1 11 . 1 1 107 107 THR N N 107 111.880 111.880 113.325 -1.445 18152 7558 1 11 . 1 1 107 107 THR HA H 107 4.139 4.139 4.039 0.100 18152 7559 1 11 . 1 1 107 107 THR C C 107 173.548 173.548 175.373 -1.825 18152 7560 1 11 . 1 1 107 107 THR CA C 107 62.350 62.350 65.393 -3.043 18152 7561 1 11 . 1 1 107 107 THR CB C 107 68.935 68.935 68.004 0.931 18152 7562 1 11 . 1 1 107 107 THR H H 107 8.857 8.857 8.139 0.718 18152 7563 1 11 . 1 1 108 108 VAL N N 108 118.971 118.971 116.080 2.891 18152 7564 1 11 . 1 1 108 108 VAL HA H 108 3.942 3.942 4.324 -0.382 18152 7565 1 11 . 1 1 108 108 VAL C C 108 176.853 176.853 175.574 1.279 18152 7566 1 11 . 1 1 108 108 VAL CA C 108 63.878 63.878 63.091 0.787 18152 7567 1 11 . 1 1 108 108 VAL CB C 108 32.470 32.470 33.472 -1.002 18152 7568 1 11 . 1 1 108 108 VAL H H 108 6.811 6.811 7.396 -0.585 18152 7569 1 11 . 1 1 109 109 ILE N N 109 120.334 120.334 118.669 1.665 18152 7570 1 11 . 1 1 109 109 ILE HA H 109 3.438 3.438 4.341 -0.903 18152 7571 1 11 . 1 1 109 109 ILE C C 109 173.191 173.191 175.747 -2.556 18152 7572 1 11 . 1 1 109 109 ILE CA C 109 60.963 60.963 60.168 0.795 18152 7573 1 11 . 1 1 109 109 ILE CB C 109 33.933 33.933 36.138 -2.205 18152 7574 1 11 . 1 1 109 109 ILE H H 109 8.053 8.053 8.124 -0.071 18152 7575 1 11 . 1 1 110 110 ILE N N 110 118.981 118.981 118.598 0.383 18152 7576 1 11 . 1 1 110 110 ILE HA H 110 4.542 4.542 4.627 -0.085 18152 7577 1 11 . 1 1 110 110 ILE C C 110 174.405 174.405 174.929 -0.524 18152 7578 1 11 . 1 1 110 110 ILE CA C 110 57.932 57.932 58.930 -0.998 18152 7579 1 11 . 1 1 110 110 ILE CB C 110 42.146 42.146 38.938 3.208 18152 7580 1 11 . 1 1 110 110 ILE H H 110 6.877 6.877 7.668 -0.791 18152 7581 1 11 . 1 1 111 111 LYS N N 111 123.307 123.307 120.546 2.761 18152 7582 1 11 . 1 1 111 111 LYS HA H 111 4.609 4.609 4.834 -0.225 18152 7583 1 11 . 1 1 111 111 LYS C C 111 176.528 176.528 176.069 0.459 18152 7584 1 11 . 1 1 111 111 LYS CA C 111 56.695 56.695 55.510 1.185 18152 7585 1 11 . 1 1 111 111 LYS CB C 111 33.092 33.092 34.073 -0.981 18152 7586 1 11 . 1 1 111 111 LYS H H 111 8.492 8.492 8.143 0.349 18152 7587 1 11 . 1 1 112 112 LYS N N 112 121.425 121.425 124.964 -3.539 18152 7588 1 11 . 1 1 112 112 LYS HA H 112 4.706 4.706 4.527 0.179 18152 7589 1 11 . 1 1 112 112 LYS C C 112 175.996 175.996 175.821 0.175 18152 7590 1 11 . 1 1 112 112 LYS CA C 112 53.271 53.271 55.557 -2.286 18152 7591 1 11 . 1 1 112 112 LYS CB C 112 36.089 36.089 34.724 1.365 18152 7592 1 11 . 1 1 112 112 LYS H H 112 8.351 8.351 8.786 -0.435 18152 7593 1 11 . 1 1 113 113 GLU N N 113 119.533 119.533 121.490 -1.957 18152 7594 1 11 . 1 1 113 113 GLU HA H 113 4.372 4.372 4.181 0.191 18152 7595 1 11 . 1 1 113 113 GLU C C 113 174.477 174.477 175.903 -1.426 18152 7596 1 11 . 1 1 113 113 GLU CA C 113 55.175 55.175 56.981 -1.806 18152 7597 1 11 . 1 1 113 113 GLU CB C 113 29.097 29.097 30.130 -1.033 18152 7598 1 11 . 1 1 113 113 GLU H H 113 8.815 8.815 8.751 0.064 18152 7599 1 11 . 1 1 114 114 GLU N N 114 117.843 117.843 118.169 -0.326 18152 7600 1 11 . 1 1 114 114 GLU HA H 114 4.701 4.701 4.664 0.037 18152 7601 1 11 . 1 1 114 114 GLU C C 114 172.378 172.378 173.855 -1.477 18152 7602 1 11 . 1 1 114 114 GLU CA C 114 52.633 52.633 52.745 -0.112 18152 7603 1 11 . 1 1 114 114 GLU CB C 114 30.487 30.487 30.579 -0.092 18152 7604 1 11 . 1 1 114 114 GLU H H 114 7.426 7.426 7.638 -0.212 18152 7605 1 11 . 1 1 115 115 PRO HA H 115 4.725 4.725 4.857 -0.132 18152 7606 1 11 . 1 1 115 115 PRO CA C 115 62.352 62.352 62.925 -0.573 18152 7607 1 11 . 1 1 115 115 PRO CB C 115 30.706 30.706 31.438 -0.732 18152 7608 1 11 . 1 1 116 116 ILE N N 116 130.464 130.464 124.171 6.293 18152 7609 1 11 . 1 1 116 116 ILE HA H 116 4.785 4.785 4.899 -0.114 18152 7610 1 11 . 1 1 116 116 ILE C C 116 172.992 172.992 174.322 -1.330 18152 7611 1 11 . 1 1 116 116 ILE CA C 116 56.976 56.976 59.084 -2.108 18152 7612 1 11 . 1 1 116 116 ILE CB C 116 41.420 41.420 42.169 -0.749 18152 7613 1 11 . 1 1 116 116 ILE H H 116 7.830 7.830 8.351 -0.521 18152 7614 1 11 . 1 1 117 117 LEU N N 117 128.504 128.504 129.195 -0.691 18152 7615 1 11 . 1 1 117 117 LEU HA H 117 5.307 5.307 5.191 0.116 18152 7616 1 11 . 1 1 117 117 LEU C C 117 174.488 174.488 175.093 -0.605 18152 7617 1 11 . 1 1 117 117 LEU CA C 117 52.062 52.062 53.412 -1.350 18152 7618 1 11 . 1 1 117 117 LEU CB C 117 45.447 45.447 44.451 0.996 18152 7619 1 11 . 1 1 117 117 LEU H H 117 8.838 8.838 9.519 -0.681 18152 7620 1 11 . 1 1 118 118 THR N N 118 125.436 125.436 123.492 1.944 18152 7621 1 11 . 1 1 118 118 THR HA H 118 5.417 5.417 4.970 0.447 18152 7622 1 11 . 1 1 118 118 THR C C 118 173.169 173.169 172.688 0.481 18152 7623 1 11 . 1 1 118 118 THR CA C 118 60.596 60.596 61.791 -1.195 18152 7624 1 11 . 1 1 118 118 THR CB C 118 68.558 68.558 70.647 -2.089 18152 7625 1 11 . 1 1 118 118 THR H H 118 8.938 8.938 9.151 -0.213 18152 7626 1 11 . 1 1 119 119 LEU N N 119 128.310 128.310 130.106 -1.796 18152 7627 1 11 . 1 1 119 119 LEU HA H 119 5.103 5.103 5.132 -0.029 18152 7628 1 11 . 1 1 119 119 LEU C C 119 174.404 174.404 174.877 -0.473 18152 7629 1 11 . 1 1 119 119 LEU CA C 119 52.439 52.439 53.076 -0.637 18152 7630 1 11 . 1 1 119 119 LEU CB C 119 44.373 44.373 44.864 -0.490 18152 7631 1 11 . 1 1 119 119 LEU H H 119 9.280 9.280 8.598 0.682 18152 7632 1 11 . 1 1 120 120 THR N N 120 117.635 117.635 120.790 -3.155 18152 7633 1 11 . 1 1 120 120 THR HA H 120 5.590 5.590 5.598 -0.008 18152 7634 1 11 . 1 1 120 120 THR C C 120 172.735 172.735 173.881 -1.146 18152 7635 1 11 . 1 1 120 120 THR CA C 120 57.360 57.360 59.740 -2.380 18152 7636 1 11 . 1 1 120 120 THR CB C 120 70.136 70.136 70.214 -0.078 18152 7637 1 11 . 1 1 120 120 THR H H 120 8.640 8.640 9.157 -0.517 18152 7638 1 11 . 1 1 121 121 THR N N 121 116.149 116.149 121.326 -5.177 18152 7639 1 11 . 1 1 121 121 THR HA H 121 4.766 4.766 5.421 -0.655 18152 7640 1 11 . 1 1 121 121 THR C C 121 174.145 174.145 172.968 1.177 18152 7641 1 11 . 1 1 121 121 THR CA C 121 59.550 59.550 60.140 -0.590 18152 7642 1 11 . 1 1 121 121 THR CB C 121 71.701 71.701 71.240 0.461 18152 7643 1 11 . 1 1 121 121 THR H H 121 8.374 8.374 8.672 -0.298 18152 7644 1 11 . 1 1 123 123 TYR N N 123 121.847 121.847 118.442 3.405 18152 7645 1 11 . 1 1 123 123 TYR H H 123 7.461 7.461 8.160 -0.699 18152 7646 1 11 . 1 1 125 125 PHE N N 125 120.754 120.754 118.913 1.841 18152 7647 1 11 . 1 1 125 125 PHE HA H 125 4.420 4.420 4.264 0.156 18152 7648 1 11 . 1 1 125 125 PHE C C 125 176.083 176.083 176.218 -0.135 18152 7649 1 11 . 1 1 125 125 PHE CA C 125 58.918 58.918 59.324 -0.406 18152 7650 1 11 . 1 1 125 125 PHE CB C 125 38.624 38.624 38.390 0.234 18152 7651 1 11 . 1 1 125 125 PHE H H 125 7.334 7.334 8.497 -1.163 18152 7652 1 11 . 1 1 126 126 ASP N N 126 114.938 114.938 118.954 -4.016 18152 7653 1 11 . 1 1 126 126 ASP HA H 126 4.548 4.548 4.033 0.515 18152 7654 1 11 . 1 1 126 126 ASP C C 126 175.285 175.285 176.043 -0.758 18152 7655 1 11 . 1 1 126 126 ASP CA C 126 51.974 51.974 54.896 -2.922 18152 7656 1 11 . 1 1 126 126 ASP CB C 126 39.454 39.454 40.174 -0.720 18152 7657 1 11 . 1 1 126 126 ASP H H 126 8.179 8.179 7.168 1.011 18152 7658 1 11 . 1 1 127 127 TYR N N 127 121.170 121.170 118.785 2.385 18152 7659 1 11 . 1 1 127 127 TYR HA H 127 3.947 3.947 4.396 -0.449 18152 7660 1 11 . 1 1 127 127 TYR C C 127 175.022 175.022 175.007 0.015 18152 7661 1 11 . 1 1 127 127 TYR CA C 127 58.734 58.734 58.397 0.337 18152 7662 1 11 . 1 1 127 127 TYR CB C 127 39.330 39.330 39.338 -0.008 18152 7663 1 11 . 1 1 127 127 TYR H H 127 7.196 7.196 7.595 -0.399 18152 7664 1 11 . 1 1 128 128 ILE N N 128 127.293 127.293 126.314 0.979 18152 7665 1 11 . 1 1 128 128 ILE HA H 128 4.081 4.081 4.154 -0.073 18152 7666 1 11 . 1 1 128 128 ILE C C 128 174.579 174.579 176.247 -1.668 18152 7667 1 11 . 1 1 128 128 ILE CA C 128 60.165 60.165 60.796 -0.631 18152 7668 1 11 . 1 1 128 128 ILE CB C 128 37.120 37.120 37.671 -0.551 18152 7669 1 11 . 1 1 128 128 ILE H H 128 7.634 7.634 7.761 -0.127 18152 7670 1 11 . 1 1 129 129 GLY N N 129 114.862 114.862 118.024 -3.162 18152 7671 1 11 . 1 1 129 129 GLY C C 129 172.992 172.992 173.599 -0.607 18152 7672 1 11 . 1 1 129 129 GLY CA C 129 43.458 43.458 44.971 -1.513 18152 7673 1 11 . 1 1 129 129 GLY H H 129 8.150 8.150 8.829 -0.679 18152 7674 1 11 . 1 1 130 130 ASP N N 130 122.165 122.165 124.906 -2.741 18152 7675 1 11 . 1 1 130 130 ASP HA H 130 4.639 4.639 4.761 -0.122 18152 7676 1 11 . 1 1 130 130 ASP C C 130 174.579 174.579 174.826 -0.247 18152 7677 1 11 . 1 1 130 130 ASP CA C 130 53.344 53.344 53.095 0.249 18152 7678 1 11 . 1 1 130 130 ASP CB C 130 39.979 39.979 42.213 -2.234 18152 7679 1 11 . 1 1 130 130 ASP H H 130 8.541 8.541 8.675 -0.134 18152 7680 1 11 . 1 1 131 131 ALA N N 131 129.087 129.087 125.021 4.066 18152 7681 1 11 . 1 1 131 131 ALA HA H 131 3.673 3.673 3.084 0.589 18152 7682 1 11 . 1 1 131 131 ALA C C 131 176.791 176.791 176.929 -0.138 18152 7683 1 11 . 1 1 131 131 ALA CA C 131 50.186 50.186 50.807 -0.621 18152 7684 1 11 . 1 1 131 131 ALA CB C 131 17.692 17.692 18.394 -0.702 18152 7685 1 11 . 1 1 131 131 ALA H H 131 8.280 8.280 8.238 0.042 18152 7686 1 11 . 1 1 133 133 ASP N N 133 117.477 117.477 116.778 0.699 18152 7687 1 11 . 1 1 133 133 ASP HA H 133 5.512 5.512 5.059 0.453 18152 7688 1 11 . 1 1 133 133 ASP C C 133 175.988 175.988 175.379 0.609 18152 7689 1 11 . 1 1 133 133 ASP CA C 133 53.067 53.067 52.906 0.162 18152 7690 1 11 . 1 1 133 133 ASP CB C 133 45.102 45.102 43.284 1.818 18152 7691 1 11 . 1 1 133 133 ASP H H 133 7.355 7.355 7.607 -0.252 18152 7692 1 11 . 1 1 134 134 ARG N N 134 120.986 120.986 121.644 -0.658 18152 7693 1 11 . 1 1 134 134 ARG HA H 134 4.871 4.871 4.617 0.254 18152 7694 1 11 . 1 1 134 134 ARG C C 134 172.288 172.288 175.004 -2.716 18152 7695 1 11 . 1 1 134 134 ARG CA C 134 53.958 53.958 53.834 0.124 18152 7696 1 11 . 1 1 134 134 ARG CB C 134 33.787 33.787 33.185 0.602 18152 7697 1 11 . 1 1 134 134 ARG H H 134 9.308 9.308 9.205 0.103 18152 7698 1 11 . 1 1 135 135 TYR N N 135 127.342 127.342 126.301 1.041 18152 7699 1 11 . 1 1 135 135 TYR HA H 135 4.037 4.037 4.384 -0.347 18152 7700 1 11 . 1 1 135 135 TYR C C 135 173.811 173.811 174.281 -0.470 18152 7701 1 11 . 1 1 135 135 TYR CA C 135 57.419 57.419 58.965 -1.546 18152 7702 1 11 . 1 1 135 135 TYR CB C 135 40.515 40.515 39.502 1.013 18152 7703 1 11 . 1 1 135 135 TYR H H 135 8.867 8.867 9.079 -0.212 18152 7704 1 11 . 1 1 136 136 ILE N N 136 128.458 128.458 127.480 0.978 18152 7705 1 11 . 1 1 136 136 ILE HA H 136 4.133 4.133 4.610 -0.477 18152 7706 1 11 . 1 1 136 136 ILE C C 136 173.610 173.610 174.051 -0.441 18152 7707 1 11 . 1 1 136 136 ILE CA C 136 58.968 58.968 58.574 0.394 18152 7708 1 11 . 1 1 136 136 ILE CB C 136 40.998 40.998 38.461 2.537 18152 7709 1 11 . 1 1 136 136 ILE H H 136 8.569 8.569 8.447 0.122 18152 7710 1 11 . 1 1 137 137 ILE N N 137 123.623 123.623 128.486 -4.863 18152 7711 1 11 . 1 1 137 137 ILE HA H 137 4.330 4.330 3.990 0.340 18152 7712 1 11 . 1 1 137 137 ILE C C 137 173.524 173.524 173.999 -0.475 18152 7713 1 11 . 1 1 137 137 ILE CA C 137 59.873 59.873 59.779 0.094 18152 7714 1 11 . 1 1 137 137 ILE CB C 137 40.767 40.767 38.893 1.874 18152 7715 1 11 . 1 1 137 137 ILE H H 137 8.263 8.263 8.565 -0.302 18152 7716 1 11 . 1 1 138 138 GLU N N 138 127.009 127.009 129.495 -2.486 18152 7717 1 11 . 1 1 138 138 GLU HA H 138 5.219 5.219 4.750 0.469 18152 7718 1 11 . 1 1 138 138 GLU C C 138 175.383 175.383 174.813 0.570 18152 7719 1 11 . 1 1 138 138 GLU CA C 138 54.895 54.895 55.223 -0.328 18152 7720 1 11 . 1 1 138 138 GLU CB C 138 33.904 33.904 32.156 1.748 18152 7721 1 11 . 1 1 138 138 GLU H H 138 9.166 9.166 7.860 1.306 18152 7722 1 11 . 1 1 139 139 ALA N N 139 132.785 132.785 128.209 4.576 18152 7723 1 11 . 1 1 139 139 ALA HA H 139 5.231 5.231 5.305 -0.074 18152 7724 1 11 . 1 1 139 139 ALA C C 139 173.789 173.789 175.005 -1.216 18152 7725 1 11 . 1 1 139 139 ALA CA C 139 50.197 50.197 51.058 -0.861 18152 7726 1 11 . 1 1 139 139 ALA CB C 139 24.262 24.262 23.416 0.846 18152 7727 1 11 . 1 1 139 139 ALA H H 139 10.313 10.313 8.952 1.361 18152 7728 1 11 . 1 1 140 140 LYS N N 140 120.672 120.672 123.558 -2.886 18152 7729 1 11 . 1 1 140 140 LYS HA H 140 5.062 5.062 5.124 -0.062 18152 7730 1 11 . 1 1 140 140 LYS C C 140 175.807 175.807 174.724 1.083 18152 7731 1 11 . 1 1 140 140 LYS CA C 140 54.250 54.250 53.948 0.302 18152 7732 1 11 . 1 1 140 140 LYS CB C 140 34.937 34.937 36.849 -1.912 18152 7733 1 11 . 1 1 140 140 LYS H H 140 8.507 8.507 8.631 -0.124 18152 7734 1 11 . 1 1 141 141 LEU N N 141 126.557 126.557 125.135 1.422 18152 7735 1 11 . 1 1 141 141 LEU HA H 141 4.107 4.107 3.899 0.208 18152 7736 1 11 . 1 1 141 141 LEU C C 141 177.236 177.236 175.956 1.280 18152 7737 1 11 . 1 1 141 141 LEU CA C 141 56.169 56.169 54.331 1.838 18152 7738 1 11 . 1 1 141 141 LEU CB C 141 42.408 42.408 41.144 1.264 18152 7739 1 11 . 1 1 141 141 LEU H H 141 7.560 7.560 8.184 -0.624 18152 7740 1 11 . 1 1 142 142 THR N N 142 119.454 119.454 121.665 -2.211 18152 7741 1 11 . 1 1 142 142 THR HA H 142 4.522 4.522 4.495 0.027 18152 7742 1 11 . 1 1 142 142 THR C C 142 175.187 175.187 174.887 0.300 18152 7743 1 11 . 1 1 142 142 THR CA C 142 60.915 60.915 62.150 -1.235 18152 7744 1 11 . 1 1 142 142 THR CB C 142 69.490 69.490 70.530 -1.040 18152 7745 1 11 . 1 1 142 142 THR H H 142 9.562 9.562 8.837 0.725 18152 7746 1 11 . 1 1 143 143 GLY N N 143 109.946 109.946 109.566 0.380 18152 7747 1 11 . 1 1 143 143 GLY C C 143 170.713 170.713 172.622 -1.909 18152 7748 1 11 . 1 1 143 143 GLY CA C 143 45.254 45.254 44.033 1.221 18152 7749 1 11 . 1 1 143 143 GLY H H 143 7.513 7.513 7.813 -0.300 18152 7750 1 11 . 1 1 144 144 SER N N 144 112.778 112.778 114.988 -2.210 18152 7751 1 11 . 1 1 144 144 SER HA H 144 5.059 5.059 4.898 0.161 18152 7752 1 11 . 1 1 144 144 SER C C 144 173.178 173.178 172.018 1.160 18152 7753 1 11 . 1 1 144 144 SER CA C 144 56.393 56.393 56.825 -0.432 18152 7754 1 11 . 1 1 144 144 SER CB C 144 65.587 65.587 65.988 -0.401 18152 7755 1 11 . 1 1 144 144 SER H H 144 7.877 7.877 7.545 0.332 18152 7756 1 11 . 1 1 145 145 TYR N N 145 119.351 119.351 119.454 -0.103 18152 7757 1 11 . 1 1 145 145 TYR HA H 145 4.755 4.755 4.659 0.096 18152 7758 1 11 . 1 1 145 145 TYR C C 145 174.580 174.580 174.477 0.103 18152 7759 1 11 . 1 1 145 145 TYR CA C 145 56.413 56.413 57.732 -1.319 18152 7760 1 11 . 1 1 145 145 TYR CB C 145 40.096 40.096 41.602 -1.506 18152 7761 1 11 . 1 1 145 145 TYR H H 145 8.374 8.374 8.844 -0.470 18152 7762 1 11 . 1 1 146 146 SER N N 146 117.533 117.533 119.363 -1.830 18152 7763 1 11 . 1 1 146 146 SER HA H 146 4.564 4.564 4.671 -0.107 18152 7764 1 11 . 1 1 146 146 SER CA C 146 58.000 58.000 57.344 0.656 18152 7765 1 11 . 1 1 146 146 SER CB C 146 63.905 63.905 63.716 0.189 18152 7766 1 11 . 1 1 146 146 SER H H 146 8.502 8.502 8.569 -0.067 18152 7767 1 12 . 1 1 7 7 GLN N N 7 122.485 122.485 119.904 2.581 18152 7768 1 12 . 1 1 7 7 GLN CA C 7 55.218 55.218 56.461 -1.243 18152 7769 1 12 . 1 1 7 7 GLN CB C 7 28.842 28.842 29.397 -0.555 18152 7770 1 12 . 1 1 7 7 GLN H H 7 8.175 8.175 8.548 -0.373 18152 7771 1 12 . 1 1 8 8 THR N N 8 115.244 115.244 112.237 3.007 18152 7772 1 12 . 1 1 8 8 THR HA H 8 4.189 4.189 4.381 -0.192 18152 7773 1 12 . 1 1 8 8 THR C C 8 173.961 173.961 175.226 -1.265 18152 7774 1 12 . 1 1 8 8 THR CA C 8 61.486 61.486 63.349 -1.863 18152 7775 1 12 . 1 1 8 8 THR CB C 8 69.316 69.316 70.194 -0.878 18152 7776 1 12 . 1 1 8 8 THR H H 8 8.027 8.027 8.380 -0.353 18152 7777 1 12 . 1 1 9 9 GLU N N 9 123.496 123.496 119.338 4.158 18152 7778 1 12 . 1 1 9 9 GLU HA H 9 4.060 4.060 4.258 -0.198 18152 7779 1 12 . 1 1 9 9 GLU C C 9 175.555 175.555 174.957 0.598 18152 7780 1 12 . 1 1 9 9 GLU CA C 9 55.868 55.868 57.224 -1.356 18152 7781 1 12 . 1 1 9 9 GLU CB C 9 29.611 29.611 29.433 0.178 18152 7782 1 12 . 1 1 9 9 GLU H H 9 8.225 8.225 8.292 -0.067 18152 7783 1 12 . 1 1 10 10 HIS N N 10 119.084 119.084 119.598 -0.514 18152 7784 1 12 . 1 1 10 10 HIS HA H 10 4.384 4.384 4.331 0.053 18152 7785 1 12 . 1 1 10 10 HIS C C 10 173.742 173.742 175.112 -1.370 18152 7786 1 12 . 1 1 10 10 HIS CA C 10 53.932 53.932 56.661 -2.729 18152 7787 1 12 . 1 1 10 10 HIS CB C 10 28.922 28.922 31.222 -2.300 18152 7788 1 12 . 1 1 10 10 HIS H H 10 7.357 7.357 7.854 -0.497 18152 7789 1 12 . 1 1 11 11 LYS N N 11 121.509 121.509 121.622 -0.113 18152 7790 1 12 . 1 1 11 11 LYS HA H 11 4.469 4.469 4.280 0.189 18152 7791 1 12 . 1 1 11 11 LYS C C 11 176.210 176.210 176.433 -0.223 18152 7792 1 12 . 1 1 11 11 LYS CA C 11 54.245 54.245 56.924 -2.679 18152 7793 1 12 . 1 1 11 11 LYS CB C 11 33.548 33.548 33.426 0.122 18152 7794 1 12 . 1 1 11 11 LYS H H 11 8.409 8.409 7.571 0.838 18152 7795 1 12 . 1 1 12 12 GLU N N 12 123.025 123.025 122.313 0.712 18152 7796 1 12 . 1 1 12 12 GLU HA H 12 4.240 4.240 4.183 0.057 18152 7797 1 12 . 1 1 12 12 GLU C C 12 178.023 178.023 177.484 0.539 18152 7798 1 12 . 1 1 12 12 GLU CA C 12 58.350 58.350 57.473 0.877 18152 7799 1 12 . 1 1 12 12 GLU CB C 12 29.254 29.254 29.964 -0.710 18152 7800 1 12 . 1 1 12 12 GLU H H 12 8.929 8.929 8.516 0.413 18152 7801 1 12 . 1 1 13 13 GLY N N 13 113.216 113.216 112.146 1.070 18152 7802 1 12 . 1 1 13 13 GLY C C 13 174.141 174.141 173.965 0.176 18152 7803 1 12 . 1 1 13 13 GLY CA C 13 45.243 45.243 45.329 -0.086 18152 7804 1 12 . 1 1 13 13 GLY H H 13 9.714 9.714 9.361 0.353 18152 7805 1 12 . 1 1 14 14 GLU N N 14 120.782 120.782 120.660 0.122 18152 7806 1 12 . 1 1 14 14 GLU HA H 14 4.472 4.472 4.789 -0.317 18152 7807 1 12 . 1 1 14 14 GLU C C 14 176.436 176.436 175.585 0.851 18152 7808 1 12 . 1 1 14 14 GLU CA C 14 55.641 55.641 54.111 1.530 18152 7809 1 12 . 1 1 14 14 GLU CB C 14 30.989 30.989 32.271 -1.282 18152 7810 1 12 . 1 1 14 14 GLU H H 14 8.289 8.289 7.841 0.448 18152 7811 1 12 . 1 1 15 15 LYS N N 15 125.126 125.126 126.517 -1.391 18152 7812 1 12 . 1 1 15 15 LYS HA H 15 4.100 4.100 3.501 0.599 18152 7813 1 12 . 1 1 15 15 LYS C C 15 176.970 176.970 176.653 0.317 18152 7814 1 12 . 1 1 15 15 LYS CA C 15 57.098 57.098 57.418 -0.320 18152 7815 1 12 . 1 1 15 15 LYS CB C 15 31.680 31.680 31.320 0.360 18152 7816 1 12 . 1 1 15 15 LYS H H 15 8.978 8.978 8.989 -0.011 18152 7817 1 12 . 1 1 16 16 VAL N N 16 119.214 119.214 120.759 -1.545 18152 7818 1 12 . 1 1 16 16 VAL HA H 16 4.572 4.572 4.187 0.385 18152 7819 1 12 . 1 1 16 16 VAL C C 16 174.148 174.148 174.712 -0.564 18152 7820 1 12 . 1 1 16 16 VAL CA C 16 60.141 60.141 62.202 -2.061 18152 7821 1 12 . 1 1 16 16 VAL CB C 16 34.881 34.881 33.328 1.553 18152 7822 1 12 . 1 1 16 16 VAL H H 16 8.976 8.976 7.692 1.284 18152 7823 1 12 . 1 1 17 17 ALA N N 17 121.368 121.368 120.477 0.891 18152 7824 1 12 . 1 1 17 17 ALA HA H 17 5.186 5.186 5.268 -0.082 18152 7825 1 12 . 1 1 17 17 ALA C C 17 174.664 174.664 174.937 -0.273 18152 7826 1 12 . 1 1 17 17 ALA CA C 17 51.098 51.098 49.848 1.250 18152 7827 1 12 . 1 1 17 17 ALA CB C 17 22.853 22.853 22.453 0.400 18152 7828 1 12 . 1 1 17 17 ALA H H 17 8.069 8.069 7.553 0.516 18152 7829 1 12 . 1 1 18 18 MET N N 18 116.475 116.475 120.445 -3.970 18152 7830 1 12 . 1 1 18 18 MET HA H 18 5.303 5.303 4.966 0.337 18152 7831 1 12 . 1 1 18 18 MET C C 18 174.413 174.413 174.090 0.323 18152 7832 1 12 . 1 1 18 18 MET CA C 18 53.607 53.607 54.506 -0.899 18152 7833 1 12 . 1 1 18 18 MET CB C 18 35.038 35.038 36.702 -1.663 18152 7834 1 12 . 1 1 18 18 MET H H 18 8.142 8.142 8.351 -0.208 18152 7835 1 12 . 1 1 19 19 LEU N N 19 126.244 126.244 127.871 -1.627 18152 7836 1 12 . 1 1 19 19 LEU HA H 19 5.268 5.268 4.929 0.339 18152 7837 1 12 . 1 1 19 19 LEU C C 19 173.617 173.617 174.296 -0.679 18152 7838 1 12 . 1 1 19 19 LEU CA C 19 52.851 52.851 53.898 -1.047 18152 7839 1 12 . 1 1 19 19 LEU CB C 19 44.705 44.705 44.010 0.695 18152 7840 1 12 . 1 1 19 19 LEU H H 19 9.369 9.369 9.129 0.240 18152 7841 1 12 . 1 1 20 20 ASN N N 20 126.596 126.596 126.216 0.380 18152 7842 1 12 . 1 1 20 20 ASN HA H 20 5.340 5.340 5.350 -0.010 18152 7843 1 12 . 1 1 20 20 ASN C C 20 174.316 174.316 173.568 0.748 18152 7844 1 12 . 1 1 20 20 ASN CA C 20 51.344 51.344 52.151 -0.807 18152 7845 1 12 . 1 1 20 20 ASN CB C 20 40.972 40.972 41.907 -0.935 18152 7846 1 12 . 1 1 20 20 ASN H H 20 10.032 10.032 9.425 0.607 18152 7847 1 12 . 1 1 21 21 ILE N N 21 123.799 123.799 125.960 -2.161 18152 7848 1 12 . 1 1 21 21 ILE HA H 21 4.829 4.829 4.837 -0.008 18152 7849 1 12 . 1 1 21 21 ILE C C 21 174.409 174.409 174.743 -0.334 18152 7850 1 12 . 1 1 21 21 ILE CA C 21 58.243 58.243 58.340 -0.097 18152 7851 1 12 . 1 1 21 21 ILE CB C 21 37.477 37.477 38.826 -1.349 18152 7852 1 12 . 1 1 21 21 ILE H H 21 8.614 8.614 9.397 -0.783 18152 7853 1 12 . 1 1 22 22 PRO HA H 22 4.178 4.178 4.444 -0.266 18152 7854 1 12 . 1 1 22 22 PRO CA C 22 65.629 65.629 65.395 0.234 18152 7855 1 12 . 1 1 22 22 PRO CB C 22 31.806 31.806 31.916 -0.110 18152 7856 1 12 . 1 1 23 23 LYS N N 23 118.170 118.170 119.936 -1.766 18152 7857 1 12 . 1 1 23 23 LYS HA H 23 3.943 3.943 4.156 -0.213 18152 7858 1 12 . 1 1 23 23 LYS C C 23 177.231 177.231 177.719 -0.488 18152 7859 1 12 . 1 1 23 23 LYS CA C 23 58.643 58.643 58.764 -0.121 18152 7860 1 12 . 1 1 23 23 LYS CB C 23 33.171 33.171 32.020 1.151 18152 7861 1 12 . 1 1 23 23 LYS H H 23 9.365 9.365 8.219 1.146 18152 7862 1 12 . 1 1 24 24 LEU N N 24 111.984 111.984 116.724 -4.740 18152 7863 1 12 . 1 1 24 24 LEU HA H 24 4.319 4.319 4.498 -0.179 18152 7864 1 12 . 1 1 24 24 LEU C C 24 175.562 175.562 175.899 -0.337 18152 7865 1 12 . 1 1 24 24 LEU CA C 24 52.965 52.965 54.282 -1.317 18152 7866 1 12 . 1 1 24 24 LEU CB C 24 42.473 42.473 41.202 1.271 18152 7867 1 12 . 1 1 24 24 LEU H H 24 6.919 6.919 7.909 -0.990 18152 7868 1 12 . 1 1 25 25 LYS N N 25 115.814 115.814 118.218 -2.404 18152 7869 1 12 . 1 1 25 25 LYS HA H 25 3.849 3.849 3.973 -0.124 18152 7870 1 12 . 1 1 25 25 LYS C C 25 175.297 175.297 175.566 -0.269 18152 7871 1 12 . 1 1 25 25 LYS CA C 25 56.598 56.598 57.495 -0.897 18152 7872 1 12 . 1 1 25 25 LYS CB C 25 28.918 28.918 29.820 -0.902 18152 7873 1 12 . 1 1 25 25 LYS H H 25 7.912 7.912 7.400 0.512 18152 7874 1 12 . 1 1 26 26 LYS N N 26 115.145 115.145 118.427 -3.282 18152 7875 1 12 . 1 1 26 26 LYS HA H 26 4.559 4.559 4.523 0.036 18152 7876 1 12 . 1 1 26 26 LYS C C 26 173.961 173.961 173.984 -0.023 18152 7877 1 12 . 1 1 26 26 LYS CA C 26 53.788 53.788 54.626 -0.838 18152 7878 1 12 . 1 1 26 26 LYS CB C 26 37.483 37.483 37.595 -0.112 18152 7879 1 12 . 1 1 26 26 LYS H H 26 6.765 6.765 8.437 -1.672 18152 7880 1 12 . 1 1 27 27 LYS N N 27 119.758 119.758 119.829 -0.071 18152 7881 1 12 . 1 1 27 27 LYS HA H 27 5.452 5.452 5.289 0.163 18152 7882 1 12 . 1 1 27 27 LYS C C 27 175.482 175.482 175.211 0.271 18152 7883 1 12 . 1 1 27 27 LYS CA C 27 53.883 53.883 55.211 -1.328 18152 7884 1 12 . 1 1 27 27 LYS CB C 27 35.855 35.855 35.897 -0.042 18152 7885 1 12 . 1 1 27 27 LYS H H 27 7.885 7.885 8.014 -0.129 18152 7886 1 12 . 1 1 28 28 PHE N N 28 119.077 119.077 121.445 -2.368 18152 7887 1 12 . 1 1 28 28 PHE HA H 28 4.871 4.871 4.852 0.019 18152 7888 1 12 . 1 1 28 28 PHE C C 28 175.477 175.477 174.552 0.925 18152 7889 1 12 . 1 1 28 28 PHE CA C 28 56.100 56.100 56.671 -0.571 18152 7890 1 12 . 1 1 28 28 PHE CB C 28 42.734 42.734 43.696 -0.961 18152 7891 1 12 . 1 1 28 28 PHE H H 28 9.397 9.397 9.441 -0.044 18152 7892 1 12 . 1 1 29 29 SER N N 29 121.189 121.189 117.696 3.493 18152 7893 1 12 . 1 1 29 29 SER HA H 29 4.848 4.848 4.666 0.182 18152 7894 1 12 . 1 1 29 29 SER C C 29 172.010 172.010 173.477 -1.467 18152 7895 1 12 . 1 1 29 29 SER CA C 29 59.961 59.961 58.010 1.951 18152 7896 1 12 . 1 1 29 29 SER CB C 29 64.433 64.433 63.466 0.967 18152 7897 1 12 . 1 1 29 29 SER H H 29 9.010 9.010 8.762 0.248 18152 7898 1 12 . 1 1 30 30 ILE N N 30 120.881 120.881 126.366 -5.485 18152 7899 1 12 . 1 1 30 30 ILE HA H 30 4.942 4.942 4.407 0.535 18152 7900 1 12 . 1 1 30 30 ILE C C 30 174.874 174.874 174.866 0.008 18152 7901 1 12 . 1 1 30 30 ILE CA C 30 57.775 57.775 58.930 -1.155 18152 7902 1 12 . 1 1 30 30 ILE CB C 30 38.001 38.001 37.440 0.561 18152 7903 1 12 . 1 1 30 30 ILE H H 30 8.084 8.084 8.517 -0.433 18152 7904 1 12 . 1 1 31 31 TYR N N 31 127.573 127.573 126.251 1.322 18152 7905 1 12 . 1 1 31 31 TYR HA H 31 5.299 5.299 4.862 0.437 18152 7906 1 12 . 1 1 31 31 TYR C C 31 174.806 174.806 175.474 -0.668 18152 7907 1 12 . 1 1 31 31 TYR CA C 31 56.120 56.120 56.742 -0.622 18152 7908 1 12 . 1 1 31 31 TYR CB C 31 41.139 41.139 40.859 0.280 18152 7909 1 12 . 1 1 31 31 TYR H H 31 9.174 9.174 8.527 0.647 18152 7910 1 12 . 1 1 32 32 TRP N N 32 121.993 121.993 124.641 -2.648 18152 7911 1 12 . 1 1 32 32 TRP HA H 32 4.583 4.583 4.408 0.175 18152 7912 1 12 . 1 1 32 32 TRP C C 32 175.194 175.194 176.090 -0.896 18152 7913 1 12 . 1 1 32 32 TRP CA C 32 57.396 57.396 59.362 -1.966 18152 7914 1 12 . 1 1 32 32 TRP CB C 32 29.670 29.670 30.665 -0.995 18152 7915 1 12 . 1 1 32 32 TRP H H 32 9.007 9.007 9.091 -0.084 18152 7916 1 12 . 1 1 33 33 GLY N N 33 120.470 120.470 112.953 7.517 18152 7917 1 12 . 1 1 33 33 GLY C C 33 171.936 171.936 171.588 0.348 18152 7918 1 12 . 1 1 33 33 GLY CA C 33 44.532 44.532 44.014 0.518 18152 7919 1 12 . 1 1 33 33 GLY H H 33 7.758 7.758 7.189 0.569 18152 7920 1 12 . 1 1 34 34 ALA N N 34 120.239 120.239 122.742 -2.503 18152 7921 1 12 . 1 1 34 34 ALA HA H 34 4.447 4.447 4.472 -0.025 18152 7922 1 12 . 1 1 34 34 ALA C C 34 176.174 176.174 176.022 0.152 18152 7923 1 12 . 1 1 34 34 ALA CA C 34 49.913 49.913 51.672 -1.759 18152 7924 1 12 . 1 1 34 34 ALA CB C 34 18.955 18.955 20.264 -1.309 18152 7925 1 12 . 1 1 34 34 ALA H H 34 7.883 7.883 8.026 -0.143 18152 7926 1 12 . 1 1 35 35 ASP N N 35 118.828 118.828 125.353 -6.525 18152 7927 1 12 . 1 1 35 35 ASP HA H 35 4.450 4.450 4.654 -0.204 18152 7928 1 12 . 1 1 35 35 ASP C C 35 175.990 175.990 176.478 -0.488 18152 7929 1 12 . 1 1 35 35 ASP CA C 35 53.030 53.030 53.751 -0.721 18152 7930 1 12 . 1 1 35 35 ASP CB C 35 41.508 41.508 41.476 0.032 18152 7931 1 12 . 1 1 35 35 ASP H H 35 7.944 7.944 8.187 -0.243 18152 7932 1 12 . 1 1 36 36 ASP N N 36 121.051 121.051 123.053 -2.002 18152 7933 1 12 . 1 1 36 36 ASP HA H 36 4.335 4.335 4.202 0.133 18152 7934 1 12 . 1 1 36 36 ASP C C 36 177.296 177.296 176.987 0.309 18152 7935 1 12 . 1 1 36 36 ASP CA C 36 55.183 55.183 55.202 -0.019 18152 7936 1 12 . 1 1 36 36 ASP CB C 36 39.837 39.837 40.374 -0.537 18152 7937 1 12 . 1 1 36 36 ASP H H 36 8.509 8.509 8.453 0.056 18152 7938 1 12 . 1 1 37 37 ALA N N 37 119.568 119.568 122.733 -3.165 18152 7939 1 12 . 1 1 37 37 ALA HA H 37 4.060 4.060 4.155 -0.095 18152 7940 1 12 . 1 1 37 37 ALA C C 37 179.598 179.598 178.371 1.227 18152 7941 1 12 . 1 1 37 37 ALA CA C 37 53.967 53.967 53.843 0.124 18152 7942 1 12 . 1 1 37 37 ALA CB C 37 18.009 18.009 18.706 -0.697 18152 7943 1 12 . 1 1 37 37 ALA H H 37 8.169 8.169 8.242 -0.073 18152 7944 1 12 . 1 1 38 38 THR HA H 38 3.850 3.850 4.404 -0.554 18152 7945 1 12 . 1 1 38 38 THR CA C 38 68.437 68.437 61.100 7.337 18152 7946 1 12 . 1 1 38 38 THR CB C 38 72.916 72.916 70.258 2.658 18152 7947 1 12 . 1 1 38 38 THR H H 38 7.621 7.621 7.691 -0.070 18152 7948 1 12 . 1 1 42 42 GLY N N 42 106.310 106.310 110.345 -4.035 18152 7949 1 12 . 1 1 42 42 GLY CA C 42 46.480 46.480 45.210 1.270 18152 7950 1 12 . 1 1 43 43 VAL N N 43 121.961 121.961 115.059 6.902 18152 7951 1 12 . 1 1 43 43 VAL HA H 43 4.481 4.481 4.526 -0.045 18152 7952 1 12 . 1 1 43 43 VAL C C 43 174.308 174.308 174.429 -0.121 18152 7953 1 12 . 1 1 43 43 VAL CA C 43 61.079 61.079 60.619 0.460 18152 7954 1 12 . 1 1 43 43 VAL CB C 43 32.911 32.911 32.750 0.161 18152 7955 1 12 . 1 1 43 43 VAL H H 43 8.247 8.247 7.091 1.156 18152 7956 1 12 . 1 1 44 44 GLY N N 44 114.325 114.325 112.156 2.169 18152 7957 1 12 . 1 1 44 44 GLY C C 44 172.465 172.465 171.524 0.941 18152 7958 1 12 . 1 1 44 44 GLY CA C 44 43.458 43.458 43.511 -0.053 18152 7959 1 12 . 1 1 44 44 GLY H H 44 9.063 9.063 8.259 0.804 18152 7960 1 12 . 1 1 45 45 MET N N 45 125.031 125.031 121.269 3.762 18152 7961 1 12 . 1 1 45 45 MET HA H 45 4.742 4.742 5.131 -0.389 18152 7962 1 12 . 1 1 45 45 MET C C 45 173.873 173.873 174.020 -0.147 18152 7963 1 12 . 1 1 45 45 MET CA C 45 54.084 54.084 54.230 -0.146 18152 7964 1 12 . 1 1 45 45 MET CB C 45 34.548 34.548 36.412 -1.864 18152 7965 1 12 . 1 1 45 45 MET H H 45 8.966 8.966 8.864 0.102 18152 7966 1 12 . 1 1 46 46 PHE N N 46 127.637 127.637 124.758 2.879 18152 7967 1 12 . 1 1 46 46 PHE HA H 46 3.611 3.611 4.359 -0.748 18152 7968 1 12 . 1 1 46 46 PHE C C 46 175.023 175.023 174.612 0.411 18152 7969 1 12 . 1 1 46 46 PHE CA C 46 59.286 59.286 58.450 0.836 18152 7970 1 12 . 1 1 46 46 PHE CB C 46 40.644 40.644 40.065 0.579 18152 7971 1 12 . 1 1 46 46 PHE H H 46 8.790 8.790 8.514 0.276 18152 7972 1 12 . 1 1 47 47 VAL N N 47 130.695 130.695 126.914 3.781 18152 7973 1 12 . 1 1 47 47 VAL HA H 47 3.663 3.663 4.029 -0.366 18152 7974 1 12 . 1 1 47 47 VAL C C 47 174.235 174.235 173.749 0.486 18152 7975 1 12 . 1 1 47 47 VAL CA C 47 61.455 61.455 60.757 0.698 18152 7976 1 12 . 1 1 47 47 VAL CB C 47 32.002 32.002 32.872 -0.870 18152 7977 1 12 . 1 1 47 47 VAL H H 47 7.942 7.942 7.318 0.624 18152 7978 1 12 . 1 1 48 48 SER N N 48 120.391 120.391 122.090 -1.699 18152 7979 1 12 . 1 1 48 48 SER HA H 48 4.626 4.626 4.648 -0.022 18152 7980 1 12 . 1 1 48 48 SER C C 48 173.167 173.167 173.184 -0.017 18152 7981 1 12 . 1 1 48 48 SER CA C 48 57.384 57.384 56.938 0.446 18152 7982 1 12 . 1 1 48 48 SER CB C 48 65.720 65.720 66.073 -0.353 18152 7983 1 12 . 1 1 48 48 SER H H 48 7.971 7.971 7.792 0.179 18152 7984 1 12 . 1 1 49 49 ASP N N 49 117.498 117.498 120.664 -3.166 18152 7985 1 12 . 1 1 49 49 ASP HA H 49 4.603 4.603 4.591 0.012 18152 7986 1 12 . 1 1 49 49 ASP C C 49 174.539 174.539 177.339 -2.800 18152 7987 1 12 . 1 1 49 49 ASP CA C 49 55.222 55.222 56.782 -1.560 18152 7988 1 12 . 1 1 49 49 ASP CB C 49 40.206 40.206 40.998 -0.792 18152 7989 1 12 . 1 1 49 49 ASP H H 49 8.701 8.701 8.724 -0.023 18152 7990 1 12 . 1 1 50 50 VAL N N 50 109.465 109.465 113.000 -3.535 18152 7991 1 12 . 1 1 50 50 VAL HA H 50 4.455 4.455 4.130 0.325 18152 7992 1 12 . 1 1 50 50 VAL C C 50 174.487 174.487 175.660 -1.173 18152 7993 1 12 . 1 1 50 50 VAL CA C 50 60.840 60.840 64.061 -3.221 18152 7994 1 12 . 1 1 50 50 VAL CB C 50 32.067 32.067 32.102 -0.035 18152 7995 1 12 . 1 1 50 50 VAL H H 50 7.770 7.770 7.492 0.278 18152 7996 1 12 . 1 1 51 51 THR N N 51 110.572 110.572 109.878 0.694 18152 7997 1 12 . 1 1 51 51 THR HA H 51 5.293 5.293 4.628 0.665 18152 7998 1 12 . 1 1 51 51 THR C C 51 174.591 174.591 174.417 0.174 18152 7999 1 12 . 1 1 51 51 THR CA C 51 58.487 58.487 60.731 -2.244 18152 8000 1 12 . 1 1 51 51 THR CB C 51 71.674 71.674 70.641 1.033 18152 8001 1 12 . 1 1 51 51 THR H H 51 7.095 7.095 7.313 -0.218 18152 8002 1 12 . 1 1 52 52 THR N N 52 109.706 109.706 117.275 -7.569 18152 8003 1 12 . 1 1 52 52 THR HA H 52 4.988 4.988 4.928 0.060 18152 8004 1 12 . 1 1 52 52 THR C C 52 177.060 177.060 173.121 3.939 18152 8005 1 12 . 1 1 52 52 THR CA C 52 59.777 59.777 60.430 -0.653 18152 8006 1 12 . 1 1 52 52 THR CB C 52 72.911 72.911 71.492 1.419 18152 8007 1 12 . 1 1 52 52 THR H H 52 8.836 8.836 8.902 -0.066 18152 8008 1 12 . 1 1 53 53 THR N N 53 113.970 113.970 114.798 -0.828 18152 8009 1 12 . 1 1 53 53 THR HA H 53 4.601 4.601 4.773 -0.172 18152 8010 1 12 . 1 1 53 53 THR C C 53 176.085 176.085 172.950 3.135 18152 8011 1 12 . 1 1 53 53 THR CA C 53 60.920 60.920 58.245 2.675 18152 8012 1 12 . 1 1 53 53 THR CB C 53 67.192 67.192 69.882 -2.690 18152 8013 1 12 . 1 1 53 53 THR H H 53 8.857 8.857 8.227 0.630 18152 8014 1 12 . 1 1 54 54 PRO HA H 54 4.023 4.023 4.454 -0.431 18152 8015 1 12 . 1 1 54 54 PRO CA C 54 64.658 64.658 62.717 1.941 18152 8016 1 12 . 1 1 54 54 PRO CB C 54 29.665 29.665 30.456 -0.791 18152 8017 1 12 . 1 1 55 55 SER N N 55 105.932 105.932 117.038 -11.106 18152 8018 1 12 . 1 1 55 55 SER HA H 55 4.448 4.448 4.287 0.161 18152 8019 1 12 . 1 1 55 55 SER C C 55 176.253 176.253 174.159 2.094 18152 8020 1 12 . 1 1 55 55 SER CA C 55 58.086 58.086 57.388 0.698 18152 8021 1 12 . 1 1 55 55 SER CB C 55 62.950 62.950 64.116 -1.166 18152 8022 1 12 . 1 1 55 55 SER H H 55 6.879 6.879 7.867 -0.988 18152 8023 1 12 . 1 1 56 56 GLY N N 56 109.826 109.826 109.560 0.266 18152 8024 1 12 . 1 1 56 56 GLY C C 56 175.832 175.832 174.003 1.829 18152 8025 1 12 . 1 1 56 56 GLY CA C 56 45.213 45.213 45.631 -0.418 18152 8026 1 12 . 1 1 56 56 GLY H H 56 7.733 7.733 7.327 0.406 18152 8027 1 12 . 1 1 57 57 GLY N N 57 105.805 105.805 110.506 -4.701 18152 8028 1 12 . 1 1 57 57 GLY C C 57 172.905 172.905 173.464 -0.559 18152 8029 1 12 . 1 1 57 57 GLY CA C 57 46.480 46.480 45.537 0.943 18152 8030 1 12 . 1 1 57 57 GLY H H 57 7.481 7.481 8.519 -1.038 18152 8031 1 12 . 1 1 58 58 GLY N N 58 109.086 109.086 109.640 -0.554 18152 8032 1 12 . 1 1 58 58 GLY C C 58 172.807 172.807 172.698 0.109 18152 8033 1 12 . 1 1 58 58 GLY CA C 58 43.642 43.642 44.110 -0.468 18152 8034 1 12 . 1 1 58 58 GLY H H 58 7.549 7.549 7.715 -0.166 18152 8035 1 12 . 1 1 59 59 HIS N N 59 127.776 127.776 122.172 5.604 18152 8036 1 12 . 1 1 59 59 HIS HA H 59 5.162 5.162 4.874 0.288 18152 8037 1 12 . 1 1 59 59 HIS C C 59 174.930 174.930 174.311 0.619 18152 8038 1 12 . 1 1 59 59 HIS CA C 59 52.820 52.820 55.566 -2.746 18152 8039 1 12 . 1 1 59 59 HIS CB C 59 30.250 30.250 30.436 -0.186 18152 8040 1 12 . 1 1 59 59 HIS H H 59 9.517 9.517 8.759 0.758 18152 8041 1 12 . 1 1 60 60 THR N N 60 127.768 127.768 124.989 2.779 18152 8042 1 12 . 1 1 60 60 THR HA H 60 4.870 4.870 5.062 -0.192 18152 8043 1 12 . 1 1 60 60 THR C C 60 171.847 171.847 172.939 -1.092 18152 8044 1 12 . 1 1 60 60 THR CA C 60 61.358 61.358 61.494 -0.136 18152 8045 1 12 . 1 1 60 60 THR CB C 60 69.821 69.821 70.579 -0.758 18152 8046 1 12 . 1 1 60 60 THR H H 60 9.769 9.769 9.260 0.509 18152 8047 1 12 . 1 1 61 61 VAL N N 61 126.493 126.493 126.855 -0.362 18152 8048 1 12 . 1 1 61 61 VAL HA H 61 4.641 4.641 4.908 -0.267 18152 8049 1 12 . 1 1 61 61 VAL C C 61 173.794 173.794 174.450 -0.656 18152 8050 1 12 . 1 1 61 61 VAL CA C 61 59.808 59.808 60.617 -0.810 18152 8051 1 12 . 1 1 61 61 VAL CB C 61 33.334 33.334 34.199 -0.865 18152 8052 1 12 . 1 1 61 61 VAL H H 61 8.534 8.534 8.819 -0.285 18152 8053 1 12 . 1 1 62 62 LEU N N 62 126.342 126.342 128.040 -1.698 18152 8054 1 12 . 1 1 62 62 LEU HA H 62 5.345 5.345 5.074 0.271 18152 8055 1 12 . 1 1 62 62 LEU C C 62 175.554 175.554 175.263 0.291 18152 8056 1 12 . 1 1 62 62 LEU CA C 62 51.143 51.143 53.168 -2.025 18152 8057 1 12 . 1 1 62 62 LEU CB C 62 43.344 43.344 45.033 -1.689 18152 8058 1 12 . 1 1 62 62 LEU H H 62 9.284 9.284 9.461 -0.177 18152 8059 1 12 . 1 1 63 63 SER N N 63 116.370 116.370 117.315 -0.945 18152 8060 1 12 . 1 1 63 63 SER HA H 63 5.328 5.328 5.536 -0.208 18152 8061 1 12 . 1 1 63 63 SER C C 63 174.576 174.576 173.634 0.942 18152 8062 1 12 . 1 1 63 63 SER CA C 63 54.893 54.893 56.411 -1.518 18152 8063 1 12 . 1 1 63 63 SER CB C 63 64.901 64.901 65.601 -0.700 18152 8064 1 12 . 1 1 63 63 SER H H 63 9.117 9.117 9.213 -0.096 18152 8065 1 12 . 1 1 64 64 GLY N N 64 111.783 111.783 113.499 -1.716 18152 8066 1 12 . 1 1 64 64 GLY C C 64 173.058 173.058 172.154 0.904 18152 8067 1 12 . 1 1 64 64 GLY CA C 64 45.547 45.547 45.165 0.382 18152 8068 1 12 . 1 1 64 64 GLY H H 64 8.723 8.723 8.882 -0.159 18152 8069 1 12 . 1 1 74 74 GLY C C 74 173.703 173.703 175.342 -1.639 18152 8070 1 12 . 1 1 74 74 GLY CA C 74 45.507 45.507 45.899 -0.392 18152 8071 1 12 . 1 1 75 75 GLN N N 75 116.093 116.093 119.541 -3.448 18152 8072 1 12 . 1 1 75 75 GLN HA H 75 4.229 4.229 4.065 0.164 18152 8073 1 12 . 1 1 75 75 GLN C C 75 177.319 177.319 176.652 0.667 18152 8074 1 12 . 1 1 75 75 GLN CA C 75 56.016 56.016 57.876 -1.860 18152 8075 1 12 . 1 1 75 75 GLN CB C 75 29.310 29.310 29.280 0.030 18152 8076 1 12 . 1 1 75 75 GLN H H 75 7.598 7.598 7.443 0.155 18152 8077 1 12 . 1 1 76 76 LEU N N 76 117.894 117.894 118.850 -0.956 18152 8078 1 12 . 1 1 76 76 LEU HA H 76 4.373 4.373 4.425 -0.052 18152 8079 1 12 . 1 1 76 76 LEU C C 76 175.639 175.639 175.352 0.287 18152 8080 1 12 . 1 1 76 76 LEU CA C 76 54.578 54.578 54.696 -0.118 18152 8081 1 12 . 1 1 76 76 LEU CB C 76 41.720 41.720 40.444 1.276 18152 8082 1 12 . 1 1 76 76 LEU H H 76 7.285 7.285 7.244 0.041 18152 8083 1 12 . 1 1 77 77 LYS N N 77 122.287 122.287 120.343 1.944 18152 8084 1 12 . 1 1 77 77 LYS HA H 77 4.545 4.545 4.395 0.150 18152 8085 1 12 . 1 1 77 77 LYS C C 77 175.553 175.553 175.876 -0.323 18152 8086 1 12 . 1 1 77 77 LYS CA C 77 53.336 53.336 55.778 -2.442 18152 8087 1 12 . 1 1 77 77 LYS CB C 77 36.380 36.380 33.898 2.482 18152 8088 1 12 . 1 1 77 77 LYS H H 77 9.513 9.513 7.606 1.907 18152 8089 1 12 . 1 1 78 78 GLU N N 78 118.949 118.949 120.875 -1.926 18152 8090 1 12 . 1 1 78 78 GLU HA H 78 3.523 3.523 4.378 -0.855 18152 8091 1 12 . 1 1 78 78 GLU C C 78 177.053 177.053 176.771 0.282 18152 8092 1 12 . 1 1 78 78 GLU CA C 78 59.205 59.205 57.973 1.232 18152 8093 1 12 . 1 1 78 78 GLU CB C 78 28.284 28.284 29.756 -1.472 18152 8094 1 12 . 1 1 78 78 GLU H H 78 8.900 8.900 8.905 -0.005 18152 8095 1 12 . 1 1 79 79 LYS N N 79 114.843 114.843 116.209 -1.366 18152 8096 1 12 . 1 1 79 79 LYS HA H 79 3.751 3.751 4.266 -0.515 18152 8097 1 12 . 1 1 79 79 LYS C C 79 176.434 176.434 176.387 0.047 18152 8098 1 12 . 1 1 79 79 LYS CA C 79 59.231 59.231 56.337 2.894 18152 8099 1 12 . 1 1 79 79 LYS CB C 79 29.657 29.657 31.932 -2.275 18152 8100 1 12 . 1 1 79 79 LYS H H 79 8.909 8.909 7.989 0.920 18152 8101 1 12 . 1 1 80 80 ASP N N 80 119.664 119.664 119.837 -0.173 18152 8102 1 12 . 1 1 80 80 ASP HA H 80 4.946 4.946 4.615 0.331 18152 8103 1 12 . 1 1 80 80 ASP C C 80 175.886 175.886 174.646 1.240 18152 8104 1 12 . 1 1 80 80 ASP CA C 80 55.661 55.661 54.589 1.072 18152 8105 1 12 . 1 1 80 80 ASP CB C 80 41.782 41.782 42.439 -0.657 18152 8106 1 12 . 1 1 80 80 ASP H H 80 8.052 8.052 7.504 0.548 18152 8107 1 12 . 1 1 81 81 THR N N 81 111.597 111.597 113.404 -1.807 18152 8108 1 12 . 1 1 81 81 THR HA H 81 5.321 5.321 4.983 0.338 18152 8109 1 12 . 1 1 81 81 THR C C 81 174.221 174.221 173.802 0.419 18152 8110 1 12 . 1 1 81 81 THR CA C 81 61.103 61.103 60.291 0.812 18152 8111 1 12 . 1 1 81 81 THR CB C 81 71.264 71.264 71.362 -0.098 18152 8112 1 12 . 1 1 81 81 THR H H 81 8.083 8.083 8.022 0.061 18152 8113 1 12 . 1 1 82 82 LEU N N 82 120.358 120.358 127.433 -7.075 18152 8114 1 12 . 1 1 82 82 LEU HA H 82 4.836 4.836 4.557 0.279 18152 8115 1 12 . 1 1 82 82 LEU C C 82 174.850 174.850 175.668 -0.818 18152 8116 1 12 . 1 1 82 82 LEU CA C 82 53.721 53.721 54.348 -0.627 18152 8117 1 12 . 1 1 82 82 LEU CB C 82 45.655 45.655 43.166 2.489 18152 8118 1 12 . 1 1 82 82 LEU H H 82 8.684 8.684 8.459 0.225 18152 8119 1 12 . 1 1 83 83 VAL N N 83 121.834 121.834 124.282 -2.448 18152 8120 1 12 . 1 1 83 83 VAL HA H 83 5.269 5.269 5.295 -0.026 18152 8121 1 12 . 1 1 83 83 VAL C C 83 174.766 174.766 174.878 -0.112 18152 8122 1 12 . 1 1 83 83 VAL CA C 83 61.157 61.157 61.294 -0.137 18152 8123 1 12 . 1 1 83 83 VAL CB C 83 34.923 34.923 33.184 1.739 18152 8124 1 12 . 1 1 83 83 VAL H H 83 8.670 8.670 9.239 -0.569 18152 8125 1 12 . 1 1 84 84 LEU N N 84 129.811 129.811 128.918 0.893 18152 8126 1 12 . 1 1 84 84 LEU HA H 84 5.647 5.647 5.373 0.274 18152 8127 1 12 . 1 1 84 84 LEU C C 84 175.644 175.644 176.118 -0.474 18152 8128 1 12 . 1 1 84 84 LEU CA C 84 53.160 53.160 53.358 -0.198 18152 8129 1 12 . 1 1 84 84 LEU CB C 84 46.815 46.815 44.506 2.309 18152 8130 1 12 . 1 1 84 84 LEU H H 84 10.025 10.025 9.626 0.399 18152 8131 1 12 . 1 1 85 85 GLU N N 85 125.273 125.273 124.298 0.975 18152 8132 1 12 . 1 1 85 85 GLU HA H 85 5.293 5.293 5.511 -0.218 18152 8133 1 12 . 1 1 85 85 GLU C C 85 175.910 175.910 175.479 0.431 18152 8134 1 12 . 1 1 85 85 GLU CA C 85 54.716 54.716 55.269 -0.553 18152 8135 1 12 . 1 1 85 85 GLU CB C 85 30.904 30.904 31.644 -0.740 18152 8136 1 12 . 1 1 85 85 GLU H H 85 9.117 9.117 8.893 0.224 18152 8137 1 12 . 1 1 86 86 TYR N N 86 125.299 125.299 126.858 -1.559 18152 8138 1 12 . 1 1 86 86 TYR HA H 86 4.825 4.825 4.800 0.025 18152 8139 1 12 . 1 1 86 86 TYR C C 86 174.077 174.077 174.868 -0.791 18152 8140 1 12 . 1 1 86 86 TYR CA C 86 57.516 57.516 57.725 -0.209 18152 8141 1 12 . 1 1 86 86 TYR CB C 86 41.720 41.720 43.006 -1.286 18152 8142 1 12 . 1 1 86 86 TYR H H 86 9.056 9.056 9.498 -0.442 18152 8143 1 12 . 1 1 87 87 ASP N N 87 131.006 131.006 128.867 2.139 18152 8144 1 12 . 1 1 87 87 ASP HA H 87 3.921 3.921 4.104 -0.183 18152 8145 1 12 . 1 1 87 87 ASP C C 87 171.773 171.773 175.238 -3.465 18152 8146 1 12 . 1 1 87 87 ASP CA C 87 54.613 54.613 55.184 -0.571 18152 8147 1 12 . 1 1 87 87 ASP CB C 87 39.659 39.659 39.988 -0.329 18152 8148 1 12 . 1 1 87 87 ASP H H 87 9.071 9.071 9.039 0.032 18152 8149 1 12 . 1 1 88 88 ASN N N 88 109.843 109.843 111.151 -1.308 18152 8150 1 12 . 1 1 88 88 ASN HA H 88 4.159 4.159 4.222 -0.063 18152 8151 1 12 . 1 1 88 88 ASN C C 88 173.995 173.995 173.444 0.551 18152 8152 1 12 . 1 1 88 88 ASN CA C 88 54.528 54.528 54.804 -0.276 18152 8153 1 12 . 1 1 88 88 ASN CB C 88 37.383 37.383 38.158 -0.775 18152 8154 1 12 . 1 1 88 88 ASN H H 88 8.613 8.613 8.765 -0.152 18152 8155 1 12 . 1 1 89 89 LYS N N 89 119.021 119.021 117.929 1.092 18152 8156 1 12 . 1 1 89 89 LYS HA H 89 4.714 4.714 4.836 -0.122 18152 8157 1 12 . 1 1 89 89 LYS C C 89 174.644 174.644 175.477 -0.833 18152 8158 1 12 . 1 1 89 89 LYS CA C 89 55.133 55.133 55.086 0.047 18152 8159 1 12 . 1 1 89 89 LYS CB C 89 36.460 36.460 36.162 0.298 18152 8160 1 12 . 1 1 89 89 LYS H H 89 7.903 7.903 8.216 -0.313 18152 8161 1 12 . 1 1 90 90 THR N N 90 117.141 117.141 118.624 -1.483 18152 8162 1 12 . 1 1 90 90 THR HA H 90 4.819 4.819 5.277 -0.458 18152 8163 1 12 . 1 1 90 90 THR C C 90 172.823 172.823 173.807 -0.984 18152 8164 1 12 . 1 1 90 90 THR CA C 90 61.745 61.745 61.677 0.068 18152 8165 1 12 . 1 1 90 90 THR CB C 90 69.709 69.709 70.070 -0.361 18152 8166 1 12 . 1 1 90 90 THR H H 90 8.451 8.451 9.123 -0.672 18152 8167 1 12 . 1 1 91 91 TYR N N 91 127.333 127.333 127.435 -0.102 18152 8168 1 12 . 1 1 91 91 TYR HA H 91 4.620 4.620 5.038 -0.418 18152 8169 1 12 . 1 1 91 91 TYR C C 91 174.313 174.313 175.766 -1.453 18152 8170 1 12 . 1 1 91 91 TYR CA C 91 56.764 56.764 56.294 0.470 18152 8171 1 12 . 1 1 91 91 TYR CB C 91 41.054 41.054 40.592 0.462 18152 8172 1 12 . 1 1 91 91 TYR H H 91 9.552 9.552 9.944 -0.392 18152 8173 1 12 . 1 1 92 92 THR N N 92 117.709 117.709 121.001 -3.292 18152 8174 1 12 . 1 1 92 92 THR HA H 92 4.941 4.941 4.752 0.189 18152 8175 1 12 . 1 1 92 92 THR C C 92 172.464 172.464 173.611 -1.147 18152 8176 1 12 . 1 1 92 92 THR CA C 92 61.320 61.320 61.673 -0.353 18152 8177 1 12 . 1 1 92 92 THR CB C 92 69.546 69.546 68.410 1.136 18152 8178 1 12 . 1 1 92 92 THR H H 92 8.705 8.705 9.444 -0.739 18152 8179 1 12 . 1 1 93 93 TYR N N 93 122.946 122.946 126.733 -3.787 18152 8180 1 12 . 1 1 93 93 TYR HA H 93 5.431 5.431 5.208 0.223 18152 8181 1 12 . 1 1 93 93 TYR C C 93 174.846 174.846 175.323 -0.477 18152 8182 1 12 . 1 1 93 93 TYR CA C 93 55.804 55.804 57.245 -1.441 18152 8183 1 12 . 1 1 93 93 TYR CB C 93 42.627 42.627 41.321 1.306 18152 8184 1 12 . 1 1 93 93 TYR H H 93 9.381 9.381 9.734 -0.353 18152 8185 1 12 . 1 1 94 94 GLU N N 94 121.240 121.240 121.382 -0.142 18152 8186 1 12 . 1 1 94 94 GLU HA H 94 4.901 4.901 4.990 -0.089 18152 8187 1 12 . 1 1 94 94 GLU C C 94 177.060 177.060 175.860 1.200 18152 8188 1 12 . 1 1 94 94 GLU CA C 94 54.073 54.073 53.989 0.084 18152 8189 1 12 . 1 1 94 94 GLU CB C 94 33.787 33.787 33.863 -0.076 18152 8190 1 12 . 1 1 94 94 GLU H H 94 9.100 9.100 9.260 -0.160 18152 8191 1 12 . 1 1 95 95 ILE N N 95 128.525 128.525 127.619 0.906 18152 8192 1 12 . 1 1 95 95 ILE HA H 95 3.737 3.737 4.090 -0.353 18152 8193 1 12 . 1 1 95 95 ILE C C 95 176.261 176.261 176.697 -0.436 18152 8194 1 12 . 1 1 95 95 ILE CA C 95 64.664 64.664 63.173 1.490 18152 8195 1 12 . 1 1 95 95 ILE CB C 95 37.472 37.472 36.581 0.891 18152 8196 1 12 . 1 1 95 95 ILE H H 95 9.293 9.293 8.494 0.799 18152 8197 1 12 . 1 1 96 96 GLN N N 96 127.221 127.221 128.923 -1.702 18152 8198 1 12 . 1 1 96 96 GLN HA H 96 4.831 4.831 4.342 0.489 18152 8199 1 12 . 1 1 96 96 GLN C C 96 174.674 174.674 176.171 -1.497 18152 8200 1 12 . 1 1 96 96 GLN CA C 96 54.632 54.632 57.907 -3.276 18152 8201 1 12 . 1 1 96 96 GLN CB C 96 31.165 31.165 30.015 1.151 18152 8202 1 12 . 1 1 96 96 GLN H H 96 10.106 10.106 8.671 1.435 18152 8203 1 12 . 1 1 97 97 LYS N N 97 120.717 120.717 117.125 3.592 18152 8204 1 12 . 1 1 97 97 LYS HA H 97 4.658 4.658 4.589 0.069 18152 8205 1 12 . 1 1 97 97 LYS C C 97 173.200 173.200 173.893 -0.693 18152 8206 1 12 . 1 1 97 97 LYS CA C 97 56.528 56.528 55.962 0.565 18152 8207 1 12 . 1 1 97 97 LYS CB C 97 36.462 36.462 35.815 0.647 18152 8208 1 12 . 1 1 97 97 LYS H H 97 7.958 7.958 7.581 0.377 18152 8209 1 12 . 1 1 98 98 ILE N N 98 125.089 125.089 121.608 3.481 18152 8210 1 12 . 1 1 98 98 ILE HA H 98 5.221 5.221 4.737 0.484 18152 8211 1 12 . 1 1 98 98 ILE C C 98 175.821 175.821 175.708 0.113 18152 8212 1 12 . 1 1 98 98 ILE CA C 98 60.078 60.078 58.691 1.387 18152 8213 1 12 . 1 1 98 98 ILE CB C 98 42.082 42.082 38.824 3.259 18152 8214 1 12 . 1 1 98 98 ILE H H 98 8.458 8.458 8.512 -0.054 18152 8215 1 12 . 1 1 99 99 TRP N N 99 129.003 129.003 127.024 1.979 18152 8216 1 12 . 1 1 99 99 TRP HA H 99 4.661 4.661 4.970 -0.309 18152 8217 1 12 . 1 1 99 99 TRP C C 99 170.353 170.353 172.704 -2.351 18152 8218 1 12 . 1 1 99 99 TRP CA C 99 56.388 56.388 55.935 0.453 18152 8219 1 12 . 1 1 99 99 TRP CB C 99 31.158 31.158 30.407 0.751 18152 8220 1 12 . 1 1 99 99 TRP H H 99 9.291 9.291 8.165 1.126 18152 8221 1 12 . 1 1 100 100 ILE N N 100 117.739 117.739 120.175 -2.436 18152 8222 1 12 . 1 1 100 100 ILE HA H 100 4.616 4.616 4.540 0.076 18152 8223 1 12 . 1 1 100 100 ILE C C 100 176.258 176.258 175.277 0.981 18152 8224 1 12 . 1 1 100 100 ILE CA C 100 58.973 58.973 60.040 -1.067 18152 8225 1 12 . 1 1 100 100 ILE CB C 100 40.734 40.734 41.329 -0.595 18152 8226 1 12 . 1 1 100 100 ILE H H 100 7.778 7.778 8.328 -0.550 18152 8227 1 12 . 1 1 101 101 THR N N 101 120.676 120.676 118.637 2.039 18152 8228 1 12 . 1 1 101 101 THR HA H 101 4.755 4.755 4.670 0.085 18152 8229 1 12 . 1 1 101 101 THR C C 101 172.069 172.069 172.587 -0.518 18152 8230 1 12 . 1 1 101 101 THR CA C 101 57.557 57.557 59.333 -1.776 18152 8231 1 12 . 1 1 101 101 THR CB C 101 70.656 70.656 70.642 0.014 18152 8232 1 12 . 1 1 101 101 THR H H 101 8.587 8.587 8.769 -0.182 18152 8233 1 12 . 1 1 102 102 HIS N N 102 119.885 119.885 119.380 0.505 18152 8234 1 12 . 1 1 102 102 HIS HA H 102 5.401 5.401 4.682 0.719 18152 8235 1 12 . 1 1 102 102 HIS C C 102 176.781 176.781 176.771 0.010 18152 8236 1 12 . 1 1 102 102 HIS CA C 102 54.482 54.482 58.151 -3.669 18152 8237 1 12 . 1 1 102 102 HIS CB C 102 31.240 31.240 30.711 0.529 18152 8238 1 12 . 1 1 102 102 HIS H H 102 8.194 8.194 8.575 -0.381 18152 8239 1 12 . 1 1 103 103 ALA N N 103 121.632 121.632 122.705 -1.073 18152 8240 1 12 . 1 1 103 103 ALA HA H 103 3.710 3.710 4.075 -0.365 18152 8241 1 12 . 1 1 103 103 ALA C C 103 177.587 177.587 176.645 0.942 18152 8242 1 12 . 1 1 103 103 ALA CA C 103 54.899 54.899 53.815 1.084 18152 8243 1 12 . 1 1 103 103 ALA CB C 103 17.981 17.981 19.059 -1.079 18152 8244 1 12 . 1 1 103 103 ALA H H 103 8.405 8.405 8.774 -0.369 18152 8245 1 12 . 1 1 104 104 ASP N N 104 114.513 114.513 113.861 0.652 18152 8246 1 12 . 1 1 104 104 ASP HA H 104 4.603 4.603 4.604 -0.001 18152 8247 1 12 . 1 1 104 104 ASP C C 104 175.283 175.283 175.595 -0.312 18152 8248 1 12 . 1 1 104 104 ASP CA C 104 53.070 53.070 52.485 0.585 18152 8249 1 12 . 1 1 104 104 ASP CB C 104 40.034 40.034 40.395 -0.361 18152 8250 1 12 . 1 1 104 104 ASP H H 104 8.314 8.314 8.016 0.298 18152 8251 1 12 . 1 1 105 105 ASP N N 105 119.184 119.184 121.328 -2.144 18152 8252 1 12 . 1 1 105 105 ASP HA H 105 4.170 4.170 4.691 -0.521 18152 8253 1 12 . 1 1 105 105 ASP C C 105 177.674 177.674 176.870 0.804 18152 8254 1 12 . 1 1 105 105 ASP CA C 105 54.268 54.268 53.547 0.721 18152 8255 1 12 . 1 1 105 105 ASP CB C 105 39.846 39.846 41.350 -1.504 18152 8256 1 12 . 1 1 105 105 ASP H H 105 7.043 7.043 7.481 -0.438 18152 8257 1 12 . 1 1 106 106 ARG N N 106 127.998 127.998 127.368 0.630 18152 8258 1 12 . 1 1 106 106 ARG HA H 106 4.368 4.368 4.107 0.261 18152 8259 1 12 . 1 1 106 106 ARG C C 106 177.709 177.709 177.222 0.487 18152 8260 1 12 . 1 1 106 106 ARG CA C 106 55.888 55.888 58.430 -2.542 18152 8261 1 12 . 1 1 106 106 ARG CB C 106 29.264 29.264 29.745 -0.481 18152 8262 1 12 . 1 1 106 106 ARG H H 106 8.921 8.921 8.133 0.788 18152 8263 1 12 . 1 1 107 107 THR N N 107 111.880 111.880 112.785 -0.905 18152 8264 1 12 . 1 1 107 107 THR HA H 107 4.139 4.139 4.012 0.127 18152 8265 1 12 . 1 1 107 107 THR C C 107 173.548 173.548 175.361 -1.813 18152 8266 1 12 . 1 1 107 107 THR CA C 107 62.350 62.350 65.079 -2.729 18152 8267 1 12 . 1 1 107 107 THR CB C 107 68.935 68.935 67.973 0.962 18152 8268 1 12 . 1 1 107 107 THR H H 107 8.857 8.857 8.402 0.455 18152 8269 1 12 . 1 1 108 108 VAL N N 108 118.971 118.971 110.248 8.723 18152 8270 1 12 . 1 1 108 108 VAL HA H 108 3.942 3.942 4.587 -0.645 18152 8271 1 12 . 1 1 108 108 VAL C C 108 176.853 176.853 175.928 0.925 18152 8272 1 12 . 1 1 108 108 VAL CA C 108 63.878 63.878 62.016 1.863 18152 8273 1 12 . 1 1 108 108 VAL CB C 108 32.470 32.470 33.116 -0.646 18152 8274 1 12 . 1 1 108 108 VAL H H 108 6.811 6.811 7.252 -0.441 18152 8275 1 12 . 1 1 109 109 ILE N N 109 120.334 120.334 119.351 0.983 18152 8276 1 12 . 1 1 109 109 ILE HA H 109 3.438 3.438 4.257 -0.819 18152 8277 1 12 . 1 1 109 109 ILE C C 109 173.191 173.191 176.243 -3.052 18152 8278 1 12 . 1 1 109 109 ILE CA C 109 60.963 60.963 60.419 0.545 18152 8279 1 12 . 1 1 109 109 ILE CB C 109 33.933 33.933 37.646 -3.713 18152 8280 1 12 . 1 1 109 109 ILE H H 109 8.053 8.053 8.106 -0.053 18152 8281 1 12 . 1 1 110 110 ILE N N 110 118.981 118.981 117.251 1.730 18152 8282 1 12 . 1 1 110 110 ILE HA H 110 4.542 4.542 4.506 0.036 18152 8283 1 12 . 1 1 110 110 ILE C C 110 174.405 174.405 174.374 0.031 18152 8284 1 12 . 1 1 110 110 ILE CA C 110 57.932 57.932 58.234 -0.302 18152 8285 1 12 . 1 1 110 110 ILE CB C 110 42.146 42.146 38.961 3.185 18152 8286 1 12 . 1 1 110 110 ILE H H 110 6.877 6.877 7.729 -0.852 18152 8287 1 12 . 1 1 111 111 LYS N N 111 123.307 123.307 119.706 3.601 18152 8288 1 12 . 1 1 111 111 LYS HA H 111 4.609 4.609 4.841 -0.232 18152 8289 1 12 . 1 1 111 111 LYS C C 111 176.528 176.528 176.002 0.526 18152 8290 1 12 . 1 1 111 111 LYS CA C 111 56.695 56.695 55.576 1.119 18152 8291 1 12 . 1 1 111 111 LYS CB C 111 33.092 33.092 33.845 -0.753 18152 8292 1 12 . 1 1 111 111 LYS H H 111 8.492 8.492 8.217 0.275 18152 8293 1 12 . 1 1 112 112 LYS N N 112 121.425 121.425 122.095 -0.670 18152 8294 1 12 . 1 1 112 112 LYS HA H 112 4.706 4.706 4.460 0.246 18152 8295 1 12 . 1 1 112 112 LYS C C 112 175.996 175.996 175.652 0.344 18152 8296 1 12 . 1 1 112 112 LYS CA C 112 53.271 53.271 55.056 -1.785 18152 8297 1 12 . 1 1 112 112 LYS CB C 112 36.089 36.089 34.352 1.737 18152 8298 1 12 . 1 1 112 112 LYS H H 112 8.351 8.351 8.687 -0.336 18152 8299 1 12 . 1 1 113 113 GLU N N 113 119.533 119.533 119.497 0.036 18152 8300 1 12 . 1 1 113 113 GLU HA H 113 4.372 4.372 4.445 -0.073 18152 8301 1 12 . 1 1 113 113 GLU C C 113 174.477 174.477 175.538 -1.061 18152 8302 1 12 . 1 1 113 113 GLU CA C 113 55.175 55.175 56.139 -0.964 18152 8303 1 12 . 1 1 113 113 GLU CB C 113 29.097 29.097 30.596 -1.499 18152 8304 1 12 . 1 1 113 113 GLU H H 113 8.815 8.815 8.621 0.194 18152 8305 1 12 . 1 1 114 114 GLU N N 114 117.843 117.843 118.526 -0.683 18152 8306 1 12 . 1 1 114 114 GLU HA H 114 4.701 4.701 4.656 0.045 18152 8307 1 12 . 1 1 114 114 GLU C C 114 172.378 172.378 173.720 -1.342 18152 8308 1 12 . 1 1 114 114 GLU CA C 114 52.633 52.633 53.270 -0.637 18152 8309 1 12 . 1 1 114 114 GLU CB C 114 30.487 30.487 30.482 0.005 18152 8310 1 12 . 1 1 114 114 GLU H H 114 7.426 7.426 7.697 -0.271 18152 8311 1 12 . 1 1 115 115 PRO HA H 115 4.725 4.725 4.878 -0.153 18152 8312 1 12 . 1 1 115 115 PRO CA C 115 62.352 62.352 62.909 -0.557 18152 8313 1 12 . 1 1 115 115 PRO CB C 115 30.706 30.706 31.249 -0.543 18152 8314 1 12 . 1 1 116 116 ILE N N 116 130.464 130.464 124.514 5.950 18152 8315 1 12 . 1 1 116 116 ILE HA H 116 4.785 4.785 5.013 -0.228 18152 8316 1 12 . 1 1 116 116 ILE C C 116 172.992 172.992 174.483 -1.491 18152 8317 1 12 . 1 1 116 116 ILE CA C 116 56.976 56.976 58.757 -1.781 18152 8318 1 12 . 1 1 116 116 ILE CB C 116 41.420 41.420 41.795 -0.375 18152 8319 1 12 . 1 1 116 116 ILE H H 116 7.830 7.830 8.309 -0.479 18152 8320 1 12 . 1 1 117 117 LEU N N 117 128.504 128.504 129.383 -0.879 18152 8321 1 12 . 1 1 117 117 LEU HA H 117 5.307 5.307 5.183 0.124 18152 8322 1 12 . 1 1 117 117 LEU C C 117 174.488 174.488 175.276 -0.788 18152 8323 1 12 . 1 1 117 117 LEU CA C 117 52.062 52.062 53.284 -1.222 18152 8324 1 12 . 1 1 117 117 LEU CB C 117 45.447 45.447 44.604 0.843 18152 8325 1 12 . 1 1 117 117 LEU H H 117 8.838 8.838 8.869 -0.031 18152 8326 1 12 . 1 1 118 118 THR N N 118 125.436 125.436 123.708 1.728 18152 8327 1 12 . 1 1 118 118 THR HA H 118 5.417 5.417 5.053 0.364 18152 8328 1 12 . 1 1 118 118 THR C C 118 173.169 173.169 172.608 0.561 18152 8329 1 12 . 1 1 118 118 THR CA C 118 60.596 60.596 61.924 -1.328 18152 8330 1 12 . 1 1 118 118 THR CB C 118 68.558 68.558 70.581 -2.023 18152 8331 1 12 . 1 1 118 118 THR H H 118 8.938 8.938 9.132 -0.194 18152 8332 1 12 . 1 1 119 119 LEU N N 119 128.310 128.310 129.534 -1.224 18152 8333 1 12 . 1 1 119 119 LEU HA H 119 5.103 5.103 4.927 0.176 18152 8334 1 12 . 1 1 119 119 LEU C C 119 174.404 174.404 174.921 -0.517 18152 8335 1 12 . 1 1 119 119 LEU CA C 119 52.439 52.439 53.237 -0.798 18152 8336 1 12 . 1 1 119 119 LEU CB C 119 44.373 44.373 45.040 -0.667 18152 8337 1 12 . 1 1 119 119 LEU H H 119 9.280 9.280 8.832 0.448 18152 8338 1 12 . 1 1 120 120 THR N N 120 117.635 117.635 120.607 -2.972 18152 8339 1 12 . 1 1 120 120 THR HA H 120 5.590 5.590 5.638 -0.048 18152 8340 1 12 . 1 1 120 120 THR C C 120 172.735 172.735 174.313 -1.578 18152 8341 1 12 . 1 1 120 120 THR CA C 120 57.360 57.360 60.210 -2.850 18152 8342 1 12 . 1 1 120 120 THR CB C 120 70.136 70.136 70.232 -0.096 18152 8343 1 12 . 1 1 120 120 THR H H 120 8.640 8.640 9.209 -0.569 18152 8344 1 12 . 1 1 121 121 THR N N 121 116.149 116.149 118.480 -2.331 18152 8345 1 12 . 1 1 121 121 THR HA H 121 4.766 4.766 5.256 -0.490 18152 8346 1 12 . 1 1 121 121 THR C C 121 174.145 174.145 174.431 -0.286 18152 8347 1 12 . 1 1 121 121 THR CA C 121 59.550 59.550 60.142 -0.592 18152 8348 1 12 . 1 1 121 121 THR CB C 121 71.701 71.701 72.249 -0.548 18152 8349 1 12 . 1 1 121 121 THR H H 121 8.374 8.374 8.353 0.021 18152 8350 1 12 . 1 1 123 123 TYR N N 123 121.847 121.847 118.425 3.422 18152 8351 1 12 . 1 1 123 123 TYR H H 123 7.461 7.461 7.660 -0.199 18152 8352 1 12 . 1 1 125 125 PHE N N 125 120.754 120.754 114.738 6.016 18152 8353 1 12 . 1 1 125 125 PHE HA H 125 4.420 4.420 4.640 -0.220 18152 8354 1 12 . 1 1 125 125 PHE C C 125 176.083 176.083 176.415 -0.332 18152 8355 1 12 . 1 1 125 125 PHE CA C 125 58.918 58.918 60.244 -1.326 18152 8356 1 12 . 1 1 125 125 PHE CB C 125 38.624 38.624 37.560 1.064 18152 8357 1 12 . 1 1 125 125 PHE H H 125 7.334 7.334 8.465 -1.131 18152 8358 1 12 . 1 1 126 126 ASP N N 126 114.938 114.938 118.055 -3.117 18152 8359 1 12 . 1 1 126 126 ASP HA H 126 4.548 4.548 4.035 0.513 18152 8360 1 12 . 1 1 126 126 ASP C C 126 175.285 175.285 176.194 -0.909 18152 8361 1 12 . 1 1 126 126 ASP CA C 126 51.974 51.974 56.012 -4.038 18152 8362 1 12 . 1 1 126 126 ASP CB C 126 39.454 39.454 40.164 -0.710 18152 8363 1 12 . 1 1 126 126 ASP H H 126 8.179 8.179 7.256 0.923 18152 8364 1 12 . 1 1 127 127 TYR N N 127 121.170 121.170 117.706 3.464 18152 8365 1 12 . 1 1 127 127 TYR HA H 127 3.947 3.947 4.607 -0.660 18152 8366 1 12 . 1 1 127 127 TYR C C 127 175.022 175.022 174.677 0.345 18152 8367 1 12 . 1 1 127 127 TYR CA C 127 58.734 58.734 56.852 1.882 18152 8368 1 12 . 1 1 127 127 TYR CB C 127 39.330 39.330 40.101 -0.771 18152 8369 1 12 . 1 1 127 127 TYR H H 127 7.196 7.196 7.511 -0.315 18152 8370 1 12 . 1 1 128 128 ILE N N 128 127.293 127.293 122.347 4.946 18152 8371 1 12 . 1 1 128 128 ILE HA H 128 4.081 4.081 3.534 0.547 18152 8372 1 12 . 1 1 128 128 ILE C C 128 174.579 174.579 175.220 -0.641 18152 8373 1 12 . 1 1 128 128 ILE CA C 128 60.165 60.165 61.848 -1.683 18152 8374 1 12 . 1 1 128 128 ILE CB C 128 37.120 37.120 34.902 2.218 18152 8375 1 12 . 1 1 128 128 ILE H H 128 7.634 7.634 7.799 -0.165 18152 8376 1 12 . 1 1 129 129 GLY N N 129 114.862 114.862 116.045 -1.183 18152 8377 1 12 . 1 1 129 129 GLY C C 129 172.992 172.992 172.720 0.272 18152 8378 1 12 . 1 1 129 129 GLY CA C 129 43.458 43.458 44.714 -1.256 18152 8379 1 12 . 1 1 129 129 GLY H H 129 8.150 8.150 8.059 0.091 18152 8380 1 12 . 1 1 130 130 ASP N N 130 122.165 122.165 121.845 0.320 18152 8381 1 12 . 1 1 130 130 ASP HA H 130 4.639 4.639 4.846 -0.207 18152 8382 1 12 . 1 1 130 130 ASP C C 130 174.579 174.579 174.348 0.231 18152 8383 1 12 . 1 1 130 130 ASP CA C 130 53.344 53.344 52.834 0.510 18152 8384 1 12 . 1 1 130 130 ASP CB C 130 39.979 39.979 42.028 -2.049 18152 8385 1 12 . 1 1 130 130 ASP H H 130 8.541 8.541 8.531 0.010 18152 8386 1 12 . 1 1 131 131 ALA N N 131 129.087 129.087 126.504 2.583 18152 8387 1 12 . 1 1 131 131 ALA HA H 131 3.673 3.673 4.804 -1.131 18152 8388 1 12 . 1 1 131 131 ALA C C 131 176.791 176.791 176.803 -0.012 18152 8389 1 12 . 1 1 131 131 ALA CA C 131 50.186 50.186 49.147 1.039 18152 8390 1 12 . 1 1 131 131 ALA CB C 131 17.692 17.692 18.926 -1.234 18152 8391 1 12 . 1 1 131 131 ALA H H 131 8.280 8.280 8.474 -0.194 18152 8392 1 12 . 1 1 133 133 ASP N N 133 117.477 117.477 115.667 1.810 18152 8393 1 12 . 1 1 133 133 ASP HA H 133 5.512 5.512 4.766 0.746 18152 8394 1 12 . 1 1 133 133 ASP C C 133 175.988 175.988 175.381 0.607 18152 8395 1 12 . 1 1 133 133 ASP CA C 133 53.067 53.067 52.972 0.095 18152 8396 1 12 . 1 1 133 133 ASP CB C 133 45.102 45.102 42.757 2.345 18152 8397 1 12 . 1 1 133 133 ASP H H 133 7.355 7.355 7.921 -0.566 18152 8398 1 12 . 1 1 134 134 ARG N N 134 120.986 120.986 121.116 -0.130 18152 8399 1 12 . 1 1 134 134 ARG HA H 134 4.871 4.871 4.514 0.357 18152 8400 1 12 . 1 1 134 134 ARG C C 134 172.288 172.288 175.561 -3.273 18152 8401 1 12 . 1 1 134 134 ARG CA C 134 53.958 53.958 54.977 -1.018 18152 8402 1 12 . 1 1 134 134 ARG CB C 134 33.787 33.787 32.195 1.592 18152 8403 1 12 . 1 1 134 134 ARG H H 134 9.308 9.308 8.983 0.325 18152 8404 1 12 . 1 1 135 135 TYR N N 135 127.342 127.342 124.713 2.629 18152 8405 1 12 . 1 1 135 135 TYR HA H 135 4.037 4.037 4.273 -0.236 18152 8406 1 12 . 1 1 135 135 TYR C C 135 173.811 173.811 174.125 -0.314 18152 8407 1 12 . 1 1 135 135 TYR CA C 135 57.419 57.419 59.675 -2.256 18152 8408 1 12 . 1 1 135 135 TYR CB C 135 40.515 40.515 39.542 0.973 18152 8409 1 12 . 1 1 135 135 TYR H H 135 8.867 8.867 8.145 0.722 18152 8410 1 12 . 1 1 136 136 ILE N N 136 128.458 128.458 126.569 1.889 18152 8411 1 12 . 1 1 136 136 ILE HA H 136 4.133 4.133 4.735 -0.602 18152 8412 1 12 . 1 1 136 136 ILE C C 136 173.610 173.610 174.159 -0.549 18152 8413 1 12 . 1 1 136 136 ILE CA C 136 58.968 58.968 58.486 0.482 18152 8414 1 12 . 1 1 136 136 ILE CB C 136 40.998 40.998 38.356 2.642 18152 8415 1 12 . 1 1 136 136 ILE H H 136 8.569 8.569 8.140 0.429 18152 8416 1 12 . 1 1 137 137 ILE N N 137 123.623 123.623 127.303 -3.680 18152 8417 1 12 . 1 1 137 137 ILE HA H 137 4.330 4.330 4.172 0.158 18152 8418 1 12 . 1 1 137 137 ILE C C 137 173.524 173.524 174.555 -1.031 18152 8419 1 12 . 1 1 137 137 ILE CA C 137 59.873 59.873 58.702 1.171 18152 8420 1 12 . 1 1 137 137 ILE CB C 137 40.767 40.767 37.011 3.756 18152 8421 1 12 . 1 1 137 137 ILE H H 137 8.263 8.263 8.699 -0.436 18152 8422 1 12 . 1 1 138 138 GLU N N 138 127.009 127.009 129.007 -1.998 18152 8423 1 12 . 1 1 138 138 GLU HA H 138 5.219 5.219 4.943 0.276 18152 8424 1 12 . 1 1 138 138 GLU C C 138 175.383 175.383 174.699 0.684 18152 8425 1 12 . 1 1 138 138 GLU CA C 138 54.895 54.895 54.703 0.192 18152 8426 1 12 . 1 1 138 138 GLU CB C 138 33.904 33.904 32.531 1.373 18152 8427 1 12 . 1 1 138 138 GLU H H 138 9.166 9.166 7.907 1.259 18152 8428 1 12 . 1 1 139 139 ALA N N 139 132.785 132.785 128.405 4.380 18152 8429 1 12 . 1 1 139 139 ALA HA H 139 5.231 5.231 5.213 0.018 18152 8430 1 12 . 1 1 139 139 ALA C C 139 173.789 173.789 175.284 -1.495 18152 8431 1 12 . 1 1 139 139 ALA CA C 139 50.197 50.197 50.504 -0.307 18152 8432 1 12 . 1 1 139 139 ALA CB C 139 24.262 24.262 23.447 0.815 18152 8433 1 12 . 1 1 139 139 ALA H H 139 10.313 10.313 8.968 1.345 18152 8434 1 12 . 1 1 140 140 LYS N N 140 120.672 120.672 122.242 -1.570 18152 8435 1 12 . 1 1 140 140 LYS HA H 140 5.062 5.062 5.022 0.040 18152 8436 1 12 . 1 1 140 140 LYS C C 140 175.807 175.807 175.343 0.464 18152 8437 1 12 . 1 1 140 140 LYS CA C 140 54.250 54.250 53.536 0.714 18152 8438 1 12 . 1 1 140 140 LYS CB C 140 34.937 34.937 36.418 -1.481 18152 8439 1 12 . 1 1 140 140 LYS H H 140 8.507 8.507 8.718 -0.211 18152 8440 1 12 . 1 1 141 141 LEU N N 141 126.557 126.557 128.964 -2.407 18152 8441 1 12 . 1 1 141 141 LEU HA H 141 4.107 4.107 3.990 0.117 18152 8442 1 12 . 1 1 141 141 LEU C C 141 177.236 177.236 176.102 1.134 18152 8443 1 12 . 1 1 141 141 LEU CA C 141 56.169 56.169 54.868 1.301 18152 8444 1 12 . 1 1 141 141 LEU CB C 141 42.408 42.408 41.299 1.109 18152 8445 1 12 . 1 1 141 141 LEU H H 141 7.560 7.560 8.372 -0.812 18152 8446 1 12 . 1 1 142 142 THR N N 142 119.454 119.454 121.129 -1.675 18152 8447 1 12 . 1 1 142 142 THR HA H 142 4.522 4.522 4.471 0.051 18152 8448 1 12 . 1 1 142 142 THR C C 142 175.187 175.187 175.084 0.103 18152 8449 1 12 . 1 1 142 142 THR CA C 142 60.915 60.915 62.210 -1.295 18152 8450 1 12 . 1 1 142 142 THR CB C 142 69.490 69.490 70.629 -1.139 18152 8451 1 12 . 1 1 142 142 THR H H 142 9.562 9.562 8.856 0.706 18152 8452 1 12 . 1 1 143 143 GLY N N 143 109.946 109.946 109.454 0.492 18152 8453 1 12 . 1 1 143 143 GLY C C 143 170.713 170.713 172.183 -1.470 18152 8454 1 12 . 1 1 143 143 GLY CA C 143 45.254 45.254 44.047 1.207 18152 8455 1 12 . 1 1 143 143 GLY H H 143 7.513 7.513 7.811 -0.298 18152 8456 1 12 . 1 1 144 144 SER N N 144 112.778 112.778 116.046 -3.268 18152 8457 1 12 . 1 1 144 144 SER HA H 144 5.059 5.059 5.252 -0.193 18152 8458 1 12 . 1 1 144 144 SER C C 144 173.178 173.178 172.574 0.604 18152 8459 1 12 . 1 1 144 144 SER CA C 144 56.393 56.393 57.097 -0.704 18152 8460 1 12 . 1 1 144 144 SER CB C 144 65.587 65.587 66.260 -0.673 18152 8461 1 12 . 1 1 144 144 SER H H 144 7.877 7.877 7.876 0.001 18152 8462 1 12 . 1 1 145 145 TYR N N 145 119.351 119.351 121.147 -1.796 18152 8463 1 12 . 1 1 145 145 TYR HA H 145 4.755 4.755 4.715 0.040 18152 8464 1 12 . 1 1 145 145 TYR C C 145 174.580 174.580 174.531 0.049 18152 8465 1 12 . 1 1 145 145 TYR CA C 145 56.413 56.413 56.507 -0.094 18152 8466 1 12 . 1 1 145 145 TYR CB C 145 40.096 40.096 43.160 -3.064 18152 8467 1 12 . 1 1 145 145 TYR H H 145 8.374 8.374 9.127 -0.753 18152 8468 1 12 . 1 1 146 146 SER N N 146 117.533 117.533 117.162 0.371 18152 8469 1 12 . 1 1 146 146 SER HA H 146 4.564 4.564 4.591 -0.027 18152 8470 1 12 . 1 1 146 146 SER CA C 146 58.000 58.000 57.476 0.524 18152 8471 1 12 . 1 1 146 146 SER CB C 146 63.905 63.905 65.422 -1.517 18152 8472 1 12 . 1 1 146 146 SER H H 146 8.502 8.502 8.612 -0.110 18152 8473 1 13 . 1 1 7 7 GLN N N 7 122.485 122.485 122.764 -0.279 18152 8474 1 13 . 1 1 7 7 GLN CA C 7 55.218 55.218 56.578 -1.360 18152 8475 1 13 . 1 1 7 7 GLN CB C 7 28.842 28.842 30.128 -1.286 18152 8476 1 13 . 1 1 7 7 GLN H H 7 8.175 8.175 8.556 -0.381 18152 8477 1 13 . 1 1 8 8 THR N N 8 115.244 115.244 108.097 7.147 18152 8478 1 13 . 1 1 8 8 THR HA H 8 4.189 4.189 3.843 0.346 18152 8479 1 13 . 1 1 8 8 THR C C 8 173.961 173.961 174.034 -0.073 18152 8480 1 13 . 1 1 8 8 THR CA C 8 61.486 61.486 63.887 -2.401 18152 8481 1 13 . 1 1 8 8 THR CB C 8 69.316 69.316 67.693 1.623 18152 8482 1 13 . 1 1 8 8 THR H H 8 8.027 8.027 8.473 -0.446 18152 8483 1 13 . 1 1 9 9 GLU N N 9 123.496 123.496 122.070 1.426 18152 8484 1 13 . 1 1 9 9 GLU HA H 9 4.060 4.060 4.045 0.015 18152 8485 1 13 . 1 1 9 9 GLU C C 9 175.555 175.555 175.780 -0.225 18152 8486 1 13 . 1 1 9 9 GLU CA C 9 55.868 55.868 56.627 -0.759 18152 8487 1 13 . 1 1 9 9 GLU CB C 9 29.611 29.611 30.256 -0.645 18152 8488 1 13 . 1 1 9 9 GLU H H 9 8.225 8.225 7.967 0.258 18152 8489 1 13 . 1 1 10 10 HIS N N 10 119.084 119.084 118.422 0.662 18152 8490 1 13 . 1 1 10 10 HIS HA H 10 4.384 4.384 4.637 -0.253 18152 8491 1 13 . 1 1 10 10 HIS C C 10 173.742 173.742 174.474 -0.732 18152 8492 1 13 . 1 1 10 10 HIS CA C 10 53.932 53.932 55.446 -1.514 18152 8493 1 13 . 1 1 10 10 HIS CB C 10 28.922 28.922 29.055 -0.133 18152 8494 1 13 . 1 1 10 10 HIS H H 10 7.357 7.357 8.766 -1.409 18152 8495 1 13 . 1 1 11 11 LYS N N 11 121.509 121.509 124.965 -3.456 18152 8496 1 13 . 1 1 11 11 LYS HA H 11 4.469 4.469 4.731 -0.262 18152 8497 1 13 . 1 1 11 11 LYS C C 11 176.210 176.210 175.808 0.402 18152 8498 1 13 . 1 1 11 11 LYS CA C 11 54.245 54.245 55.151 -0.906 18152 8499 1 13 . 1 1 11 11 LYS CB C 11 33.548 33.548 35.109 -1.561 18152 8500 1 13 . 1 1 11 11 LYS H H 11 8.409 8.409 8.227 0.182 18152 8501 1 13 . 1 1 12 12 GLU N N 12 123.025 123.025 124.538 -1.513 18152 8502 1 13 . 1 1 12 12 GLU HA H 12 4.240 4.240 4.250 -0.010 18152 8503 1 13 . 1 1 12 12 GLU C C 12 178.023 178.023 177.550 0.473 18152 8504 1 13 . 1 1 12 12 GLU CA C 12 58.350 58.350 57.817 0.533 18152 8505 1 13 . 1 1 12 12 GLU CB C 12 29.254 29.254 29.650 -0.396 18152 8506 1 13 . 1 1 12 12 GLU H H 12 8.929 8.929 8.957 -0.028 18152 8507 1 13 . 1 1 13 13 GLY N N 13 113.216 113.216 112.405 0.811 18152 8508 1 13 . 1 1 13 13 GLY C C 13 174.141 174.141 174.057 0.084 18152 8509 1 13 . 1 1 13 13 GLY CA C 13 45.243 45.243 45.196 0.048 18152 8510 1 13 . 1 1 13 13 GLY H H 13 9.714 9.714 9.224 0.490 18152 8511 1 13 . 1 1 14 14 GLU N N 14 120.782 120.782 120.407 0.375 18152 8512 1 13 . 1 1 14 14 GLU HA H 14 4.472 4.472 4.721 -0.249 18152 8513 1 13 . 1 1 14 14 GLU C C 14 176.436 176.436 175.563 0.873 18152 8514 1 13 . 1 1 14 14 GLU CA C 14 55.641 55.641 54.588 1.053 18152 8515 1 13 . 1 1 14 14 GLU CB C 14 30.989 30.989 32.461 -1.472 18152 8516 1 13 . 1 1 14 14 GLU H H 14 8.289 8.289 7.791 0.498 18152 8517 1 13 . 1 1 15 15 LYS N N 15 125.126 125.126 125.499 -0.373 18152 8518 1 13 . 1 1 15 15 LYS HA H 15 4.100 4.100 3.148 0.952 18152 8519 1 13 . 1 1 15 15 LYS C C 15 176.970 176.970 176.425 0.545 18152 8520 1 13 . 1 1 15 15 LYS CA C 15 57.098 57.098 57.308 -0.210 18152 8521 1 13 . 1 1 15 15 LYS CB C 15 31.680 31.680 31.674 0.006 18152 8522 1 13 . 1 1 15 15 LYS H H 15 8.978 8.978 8.738 0.240 18152 8523 1 13 . 1 1 16 16 VAL N N 16 119.214 119.214 120.315 -1.101 18152 8524 1 13 . 1 1 16 16 VAL HA H 16 4.572 4.572 4.078 0.494 18152 8525 1 13 . 1 1 16 16 VAL C C 16 174.148 174.148 174.449 -0.301 18152 8526 1 13 . 1 1 16 16 VAL CA C 16 60.141 60.141 61.918 -1.777 18152 8527 1 13 . 1 1 16 16 VAL CB C 16 34.881 34.881 33.426 1.455 18152 8528 1 13 . 1 1 16 16 VAL H H 16 8.976 8.976 7.669 1.307 18152 8529 1 13 . 1 1 17 17 ALA N N 17 121.368 121.368 120.320 1.048 18152 8530 1 13 . 1 1 17 17 ALA HA H 17 5.186 5.186 5.118 0.068 18152 8531 1 13 . 1 1 17 17 ALA C C 17 174.664 174.664 174.907 -0.243 18152 8532 1 13 . 1 1 17 17 ALA CA C 17 51.098 51.098 49.606 1.492 18152 8533 1 13 . 1 1 17 17 ALA CB C 17 22.853 22.853 22.433 0.420 18152 8534 1 13 . 1 1 17 17 ALA H H 17 8.069 8.069 7.504 0.565 18152 8535 1 13 . 1 1 18 18 MET N N 18 116.475 116.475 119.792 -3.317 18152 8536 1 13 . 1 1 18 18 MET HA H 18 5.303 5.303 5.028 0.275 18152 8537 1 13 . 1 1 18 18 MET C C 18 174.413 174.413 174.076 0.337 18152 8538 1 13 . 1 1 18 18 MET CA C 18 53.607 53.607 54.511 -0.904 18152 8539 1 13 . 1 1 18 18 MET CB C 18 35.038 35.038 36.847 -1.809 18152 8540 1 13 . 1 1 18 18 MET H H 18 8.142 8.142 8.348 -0.206 18152 8541 1 13 . 1 1 19 19 LEU N N 19 126.244 126.244 128.029 -1.785 18152 8542 1 13 . 1 1 19 19 LEU HA H 19 5.268 5.268 5.130 0.138 18152 8543 1 13 . 1 1 19 19 LEU C C 19 173.617 173.617 174.262 -0.645 18152 8544 1 13 . 1 1 19 19 LEU CA C 19 52.851 52.851 53.781 -0.930 18152 8545 1 13 . 1 1 19 19 LEU CB C 19 44.705 44.705 44.102 0.603 18152 8546 1 13 . 1 1 19 19 LEU H H 19 9.369 9.369 9.263 0.106 18152 8547 1 13 . 1 1 20 20 ASN N N 20 126.596 126.596 125.729 0.867 18152 8548 1 13 . 1 1 20 20 ASN HA H 20 5.340 5.340 5.340 0.000 18152 8549 1 13 . 1 1 20 20 ASN C C 20 174.316 174.316 173.957 0.359 18152 8550 1 13 . 1 1 20 20 ASN CA C 20 51.344 51.344 51.994 -0.650 18152 8551 1 13 . 1 1 20 20 ASN CB C 20 40.972 40.972 41.887 -0.915 18152 8552 1 13 . 1 1 20 20 ASN H H 20 10.032 10.032 9.317 0.715 18152 8553 1 13 . 1 1 21 21 ILE N N 21 123.799 123.799 125.247 -1.448 18152 8554 1 13 . 1 1 21 21 ILE HA H 21 4.829 4.829 4.896 -0.067 18152 8555 1 13 . 1 1 21 21 ILE C C 21 174.409 174.409 174.891 -0.482 18152 8556 1 13 . 1 1 21 21 ILE CA C 21 58.243 58.243 58.176 0.067 18152 8557 1 13 . 1 1 21 21 ILE CB C 21 37.477 37.477 38.671 -1.194 18152 8558 1 13 . 1 1 21 21 ILE H H 21 8.614 8.614 9.292 -0.678 18152 8559 1 13 . 1 1 22 22 PRO HA H 22 4.178 4.178 4.384 -0.206 18152 8560 1 13 . 1 1 22 22 PRO CA C 22 65.629 65.629 65.407 0.222 18152 8561 1 13 . 1 1 22 22 PRO CB C 22 31.806 31.806 31.999 -0.193 18152 8562 1 13 . 1 1 23 23 LYS N N 23 118.170 118.170 120.556 -2.386 18152 8563 1 13 . 1 1 23 23 LYS HA H 23 3.943 3.943 4.115 -0.172 18152 8564 1 13 . 1 1 23 23 LYS C C 23 177.231 177.231 177.053 0.178 18152 8565 1 13 . 1 1 23 23 LYS CA C 23 58.643 58.643 58.776 -0.133 18152 8566 1 13 . 1 1 23 23 LYS CB C 23 33.171 33.171 32.213 0.958 18152 8567 1 13 . 1 1 23 23 LYS H H 23 9.365 9.365 8.395 0.970 18152 8568 1 13 . 1 1 24 24 LEU N N 24 111.984 111.984 116.743 -4.759 18152 8569 1 13 . 1 1 24 24 LEU HA H 24 4.319 4.319 4.472 -0.153 18152 8570 1 13 . 1 1 24 24 LEU C C 24 175.562 175.562 176.131 -0.569 18152 8571 1 13 . 1 1 24 24 LEU CA C 24 52.965 52.965 54.270 -1.305 18152 8572 1 13 . 1 1 24 24 LEU CB C 24 42.473 42.473 40.771 1.702 18152 8573 1 13 . 1 1 24 24 LEU H H 24 6.919 6.919 7.940 -1.021 18152 8574 1 13 . 1 1 25 25 LYS N N 25 115.814 115.814 117.983 -2.169 18152 8575 1 13 . 1 1 25 25 LYS HA H 25 3.849 3.849 3.945 -0.096 18152 8576 1 13 . 1 1 25 25 LYS C C 25 175.297 175.297 175.610 -0.313 18152 8577 1 13 . 1 1 25 25 LYS CA C 25 56.598 56.598 57.502 -0.904 18152 8578 1 13 . 1 1 25 25 LYS CB C 25 28.918 28.918 29.641 -0.723 18152 8579 1 13 . 1 1 25 25 LYS H H 25 7.912 7.912 7.573 0.339 18152 8580 1 13 . 1 1 26 26 LYS N N 26 115.145 115.145 118.386 -3.241 18152 8581 1 13 . 1 1 26 26 LYS HA H 26 4.559 4.559 4.420 0.139 18152 8582 1 13 . 1 1 26 26 LYS C C 26 173.961 173.961 173.887 0.074 18152 8583 1 13 . 1 1 26 26 LYS CA C 26 53.788 53.788 54.356 -0.568 18152 8584 1 13 . 1 1 26 26 LYS CB C 26 37.483 37.483 37.299 0.184 18152 8585 1 13 . 1 1 26 26 LYS H H 26 6.765 6.765 8.204 -1.439 18152 8586 1 13 . 1 1 27 27 LYS N N 27 119.758 119.758 118.833 0.925 18152 8587 1 13 . 1 1 27 27 LYS HA H 27 5.452 5.452 5.242 0.210 18152 8588 1 13 . 1 1 27 27 LYS C C 27 175.482 175.482 174.885 0.597 18152 8589 1 13 . 1 1 27 27 LYS CA C 27 53.883 53.883 54.657 -0.774 18152 8590 1 13 . 1 1 27 27 LYS CB C 27 35.855 35.855 36.070 -0.215 18152 8591 1 13 . 1 1 27 27 LYS H H 27 7.885 7.885 7.759 0.126 18152 8592 1 13 . 1 1 28 28 PHE N N 28 119.077 119.077 119.332 -0.255 18152 8593 1 13 . 1 1 28 28 PHE HA H 28 4.871 4.871 4.808 0.063 18152 8594 1 13 . 1 1 28 28 PHE C C 28 175.477 175.477 174.099 1.378 18152 8595 1 13 . 1 1 28 28 PHE CA C 28 56.100 56.100 57.328 -1.228 18152 8596 1 13 . 1 1 28 28 PHE CB C 28 42.734 42.734 44.143 -1.409 18152 8597 1 13 . 1 1 28 28 PHE H H 28 9.397 9.397 9.111 0.286 18152 8598 1 13 . 1 1 29 29 SER N N 29 121.189 121.189 117.414 3.775 18152 8599 1 13 . 1 1 29 29 SER HA H 29 4.848 4.848 4.694 0.154 18152 8600 1 13 . 1 1 29 29 SER C C 29 172.010 172.010 173.376 -1.366 18152 8601 1 13 . 1 1 29 29 SER CA C 29 59.961 59.961 57.994 1.967 18152 8602 1 13 . 1 1 29 29 SER CB C 29 64.433 64.433 64.074 0.359 18152 8603 1 13 . 1 1 29 29 SER H H 29 9.010 9.010 8.736 0.274 18152 8604 1 13 . 1 1 30 30 ILE N N 30 120.881 120.881 127.037 -6.156 18152 8605 1 13 . 1 1 30 30 ILE HA H 30 4.942 4.942 4.431 0.511 18152 8606 1 13 . 1 1 30 30 ILE C C 30 174.874 174.874 174.869 0.005 18152 8607 1 13 . 1 1 30 30 ILE CA C 30 57.775 57.775 60.401 -2.626 18152 8608 1 13 . 1 1 30 30 ILE CB C 30 38.001 38.001 38.877 -0.876 18152 8609 1 13 . 1 1 30 30 ILE H H 30 8.084 8.084 8.629 -0.545 18152 8610 1 13 . 1 1 31 31 TYR N N 31 127.573 127.573 126.904 0.669 18152 8611 1 13 . 1 1 31 31 TYR HA H 31 5.299 5.299 4.871 0.428 18152 8612 1 13 . 1 1 31 31 TYR C C 31 174.806 174.806 175.863 -1.057 18152 8613 1 13 . 1 1 31 31 TYR CA C 31 56.120 56.120 56.943 -0.823 18152 8614 1 13 . 1 1 31 31 TYR CB C 31 41.139 41.139 40.439 0.700 18152 8615 1 13 . 1 1 31 31 TYR H H 31 9.174 9.174 8.520 0.654 18152 8616 1 13 . 1 1 32 32 TRP N N 32 121.993 121.993 124.635 -2.642 18152 8617 1 13 . 1 1 32 32 TRP HA H 32 4.583 4.583 4.409 0.174 18152 8618 1 13 . 1 1 32 32 TRP C C 32 175.194 175.194 175.578 -0.384 18152 8619 1 13 . 1 1 32 32 TRP CA C 32 57.396 57.396 59.493 -2.097 18152 8620 1 13 . 1 1 32 32 TRP CB C 32 29.670 29.670 30.570 -0.900 18152 8621 1 13 . 1 1 32 32 TRP H H 32 9.007 9.007 8.866 0.141 18152 8622 1 13 . 1 1 33 33 GLY N N 33 120.470 120.470 112.858 7.612 18152 8623 1 13 . 1 1 33 33 GLY C C 33 171.936 171.936 171.377 0.559 18152 8624 1 13 . 1 1 33 33 GLY CA C 33 44.532 44.532 44.102 0.430 18152 8625 1 13 . 1 1 33 33 GLY H H 33 7.758 7.758 7.577 0.181 18152 8626 1 13 . 1 1 34 34 ALA N N 34 120.239 120.239 123.332 -3.093 18152 8627 1 13 . 1 1 34 34 ALA HA H 34 4.447 4.447 4.505 -0.058 18152 8628 1 13 . 1 1 34 34 ALA C C 34 176.174 176.174 175.960 0.214 18152 8629 1 13 . 1 1 34 34 ALA CA C 34 49.913 49.913 51.092 -1.179 18152 8630 1 13 . 1 1 34 34 ALA CB C 34 18.955 18.955 20.161 -1.206 18152 8631 1 13 . 1 1 34 34 ALA H H 34 7.883 7.883 7.925 -0.042 18152 8632 1 13 . 1 1 35 35 ASP N N 35 118.828 118.828 123.443 -4.615 18152 8633 1 13 . 1 1 35 35 ASP HA H 35 4.450 4.450 4.612 -0.162 18152 8634 1 13 . 1 1 35 35 ASP C C 35 175.990 175.990 176.230 -0.240 18152 8635 1 13 . 1 1 35 35 ASP CA C 35 53.030 53.030 53.663 -0.633 18152 8636 1 13 . 1 1 35 35 ASP CB C 35 41.508 41.508 41.724 -0.216 18152 8637 1 13 . 1 1 35 35 ASP H H 35 7.944 7.944 7.993 -0.049 18152 8638 1 13 . 1 1 36 36 ASP N N 36 121.051 121.051 124.741 -3.690 18152 8639 1 13 . 1 1 36 36 ASP HA H 36 4.335 4.335 4.228 0.107 18152 8640 1 13 . 1 1 36 36 ASP C C 36 177.296 177.296 177.318 -0.022 18152 8641 1 13 . 1 1 36 36 ASP CA C 36 55.183 55.183 55.819 -0.637 18152 8642 1 13 . 1 1 36 36 ASP CB C 36 39.837 39.837 40.904 -1.067 18152 8643 1 13 . 1 1 36 36 ASP H H 36 8.509 8.509 8.641 -0.132 18152 8644 1 13 . 1 1 37 37 ALA N N 37 119.568 119.568 122.768 -3.200 18152 8645 1 13 . 1 1 37 37 ALA HA H 37 4.060 4.060 4.145 -0.085 18152 8646 1 13 . 1 1 37 37 ALA C C 37 179.598 179.598 178.441 1.157 18152 8647 1 13 . 1 1 37 37 ALA CA C 37 53.967 53.967 54.529 -0.562 18152 8648 1 13 . 1 1 37 37 ALA CB C 37 18.009 18.009 18.326 -0.317 18152 8649 1 13 . 1 1 37 37 ALA H H 37 8.169 8.169 8.169 -0.000 18152 8650 1 13 . 1 1 38 38 THR HA H 38 3.850 3.850 4.217 -0.367 18152 8651 1 13 . 1 1 38 38 THR CA C 38 68.437 68.437 61.649 6.788 18152 8652 1 13 . 1 1 38 38 THR CB C 38 72.916 72.916 68.511 4.405 18152 8653 1 13 . 1 1 38 38 THR H H 38 7.621 7.621 7.984 -0.362 18152 8654 1 13 . 1 1 42 42 GLY N N 42 106.310 106.310 108.288 -1.978 18152 8655 1 13 . 1 1 42 42 GLY CA C 42 46.480 46.480 44.978 1.502 18152 8656 1 13 . 1 1 43 43 VAL N N 43 121.961 121.961 117.520 4.441 18152 8657 1 13 . 1 1 43 43 VAL HA H 43 4.481 4.481 5.098 -0.617 18152 8658 1 13 . 1 1 43 43 VAL C C 43 174.308 174.308 174.438 -0.130 18152 8659 1 13 . 1 1 43 43 VAL CA C 43 61.079 61.079 59.153 1.927 18152 8660 1 13 . 1 1 43 43 VAL CB C 43 32.911 32.911 33.474 -0.562 18152 8661 1 13 . 1 1 43 43 VAL H H 43 8.247 8.247 7.675 0.572 18152 8662 1 13 . 1 1 44 44 GLY N N 44 114.325 114.325 112.256 2.069 18152 8663 1 13 . 1 1 44 44 GLY C C 44 172.465 172.465 171.587 0.878 18152 8664 1 13 . 1 1 44 44 GLY CA C 44 43.458 43.458 43.873 -0.415 18152 8665 1 13 . 1 1 44 44 GLY H H 44 9.063 9.063 8.307 0.756 18152 8666 1 13 . 1 1 45 45 MET N N 45 125.031 125.031 121.451 3.580 18152 8667 1 13 . 1 1 45 45 MET HA H 45 4.742 4.742 5.008 -0.266 18152 8668 1 13 . 1 1 45 45 MET C C 45 173.873 173.873 174.736 -0.863 18152 8669 1 13 . 1 1 45 45 MET CA C 45 54.084 54.084 54.503 -0.419 18152 8670 1 13 . 1 1 45 45 MET CB C 45 34.548 34.548 35.429 -0.881 18152 8671 1 13 . 1 1 45 45 MET H H 45 8.966 8.966 8.975 -0.009 18152 8672 1 13 . 1 1 46 46 PHE N N 46 127.637 127.637 126.827 0.810 18152 8673 1 13 . 1 1 46 46 PHE HA H 46 3.611 3.611 4.320 -0.709 18152 8674 1 13 . 1 1 46 46 PHE C C 46 175.023 175.023 174.321 0.702 18152 8675 1 13 . 1 1 46 46 PHE CA C 46 59.286 59.286 59.296 -0.010 18152 8676 1 13 . 1 1 46 46 PHE CB C 46 40.644 40.644 40.054 0.590 18152 8677 1 13 . 1 1 46 46 PHE H H 46 8.790 8.790 8.670 0.120 18152 8678 1 13 . 1 1 47 47 VAL N N 47 130.695 130.695 126.877 3.818 18152 8679 1 13 . 1 1 47 47 VAL HA H 47 3.663 3.663 4.177 -0.514 18152 8680 1 13 . 1 1 47 47 VAL C C 47 174.235 174.235 173.699 0.536 18152 8681 1 13 . 1 1 47 47 VAL CA C 47 61.455 61.455 60.848 0.607 18152 8682 1 13 . 1 1 47 47 VAL CB C 47 32.002 32.002 32.729 -0.727 18152 8683 1 13 . 1 1 47 47 VAL H H 47 7.942 7.942 7.576 0.366 18152 8684 1 13 . 1 1 48 48 SER N N 48 120.391 120.391 122.083 -1.692 18152 8685 1 13 . 1 1 48 48 SER HA H 48 4.626 4.626 4.728 -0.102 18152 8686 1 13 . 1 1 48 48 SER C C 48 173.167 173.167 172.873 0.294 18152 8687 1 13 . 1 1 48 48 SER CA C 48 57.384 57.384 57.675 -0.291 18152 8688 1 13 . 1 1 48 48 SER CB C 48 65.720 65.720 66.071 -0.351 18152 8689 1 13 . 1 1 48 48 SER H H 48 7.971 7.971 8.894 -0.923 18152 8690 1 13 . 1 1 49 49 ASP N N 49 117.498 117.498 121.521 -4.023 18152 8691 1 13 . 1 1 49 49 ASP HA H 49 4.603 4.603 4.554 0.049 18152 8692 1 13 . 1 1 49 49 ASP C C 49 174.539 174.539 177.494 -2.955 18152 8693 1 13 . 1 1 49 49 ASP CA C 49 55.222 55.222 56.249 -1.028 18152 8694 1 13 . 1 1 49 49 ASP CB C 49 40.206 40.206 41.200 -0.994 18152 8695 1 13 . 1 1 49 49 ASP H H 49 8.701 8.701 8.798 -0.097 18152 8696 1 13 . 1 1 50 50 VAL N N 50 109.465 109.465 112.425 -2.960 18152 8697 1 13 . 1 1 50 50 VAL HA H 50 4.455 4.455 4.232 0.223 18152 8698 1 13 . 1 1 50 50 VAL C C 50 174.487 174.487 176.183 -1.696 18152 8699 1 13 . 1 1 50 50 VAL CA C 50 60.840 60.840 63.693 -2.853 18152 8700 1 13 . 1 1 50 50 VAL CB C 50 32.067 32.067 31.583 0.484 18152 8701 1 13 . 1 1 50 50 VAL H H 50 7.770 7.770 8.151 -0.381 18152 8702 1 13 . 1 1 51 51 THR N N 51 110.572 110.572 112.882 -2.310 18152 8703 1 13 . 1 1 51 51 THR HA H 51 5.293 5.293 4.739 0.554 18152 8704 1 13 . 1 1 51 51 THR C C 51 174.591 174.591 175.039 -0.448 18152 8705 1 13 . 1 1 51 51 THR CA C 51 58.487 58.487 61.471 -2.984 18152 8706 1 13 . 1 1 51 51 THR CB C 51 71.674 71.674 70.161 1.513 18152 8707 1 13 . 1 1 51 51 THR H H 51 7.095 7.095 7.553 -0.458 18152 8708 1 13 . 1 1 52 52 THR N N 52 109.706 109.706 116.176 -6.470 18152 8709 1 13 . 1 1 52 52 THR HA H 52 4.988 4.988 4.785 0.203 18152 8710 1 13 . 1 1 52 52 THR C C 52 177.060 177.060 172.982 4.078 18152 8711 1 13 . 1 1 52 52 THR CA C 52 59.777 59.777 60.779 -1.002 18152 8712 1 13 . 1 1 52 52 THR CB C 52 72.911 72.911 70.940 1.971 18152 8713 1 13 . 1 1 52 52 THR H H 52 8.836 8.836 9.130 -0.294 18152 8714 1 13 . 1 1 53 53 THR N N 53 113.970 113.970 115.613 -1.643 18152 8715 1 13 . 1 1 53 53 THR HA H 53 4.601 4.601 4.778 -0.177 18152 8716 1 13 . 1 1 53 53 THR C C 53 176.085 176.085 173.072 3.013 18152 8717 1 13 . 1 1 53 53 THR CA C 53 60.920 60.920 59.114 1.806 18152 8718 1 13 . 1 1 53 53 THR CB C 53 67.192 67.192 69.416 -2.224 18152 8719 1 13 . 1 1 53 53 THR H H 53 8.857 8.857 8.358 0.499 18152 8720 1 13 . 1 1 54 54 PRO HA H 54 4.023 4.023 4.549 -0.526 18152 8721 1 13 . 1 1 54 54 PRO CA C 54 64.658 64.658 62.857 1.801 18152 8722 1 13 . 1 1 54 54 PRO CB C 54 29.665 29.665 30.577 -0.912 18152 8723 1 13 . 1 1 55 55 SER N N 55 105.932 105.932 116.447 -10.515 18152 8724 1 13 . 1 1 55 55 SER HA H 55 4.448 4.448 4.383 0.065 18152 8725 1 13 . 1 1 55 55 SER C C 55 176.253 176.253 173.826 2.427 18152 8726 1 13 . 1 1 55 55 SER CA C 55 58.086 58.086 57.696 0.390 18152 8727 1 13 . 1 1 55 55 SER CB C 55 62.950 62.950 64.800 -1.850 18152 8728 1 13 . 1 1 55 55 SER H H 55 6.879 6.879 7.994 -1.115 18152 8729 1 13 . 1 1 56 56 GLY N N 56 109.826 109.826 108.776 1.050 18152 8730 1 13 . 1 1 56 56 GLY C C 56 175.832 175.832 174.072 1.760 18152 8731 1 13 . 1 1 56 56 GLY CA C 56 45.213 45.213 45.497 -0.284 18152 8732 1 13 . 1 1 56 56 GLY H H 56 7.733 7.733 7.501 0.232 18152 8733 1 13 . 1 1 57 57 GLY N N 57 105.805 105.805 110.531 -4.726 18152 8734 1 13 . 1 1 57 57 GLY C C 57 172.905 172.905 173.513 -0.608 18152 8735 1 13 . 1 1 57 57 GLY CA C 57 46.480 46.480 45.616 0.864 18152 8736 1 13 . 1 1 57 57 GLY H H 57 7.481 7.481 8.632 -1.151 18152 8737 1 13 . 1 1 58 58 GLY N N 58 109.086 109.086 109.359 -0.273 18152 8738 1 13 . 1 1 58 58 GLY C C 58 172.807 172.807 172.371 0.436 18152 8739 1 13 . 1 1 58 58 GLY CA C 58 43.642 43.642 44.330 -0.688 18152 8740 1 13 . 1 1 58 58 GLY H H 58 7.549 7.549 7.903 -0.354 18152 8741 1 13 . 1 1 59 59 HIS N N 59 127.776 127.776 121.948 5.828 18152 8742 1 13 . 1 1 59 59 HIS HA H 59 5.162 5.162 4.781 0.381 18152 8743 1 13 . 1 1 59 59 HIS C C 59 174.930 174.930 174.419 0.511 18152 8744 1 13 . 1 1 59 59 HIS CA C 59 52.820 52.820 54.854 -2.034 18152 8745 1 13 . 1 1 59 59 HIS CB C 59 30.250 30.250 30.105 0.145 18152 8746 1 13 . 1 1 59 59 HIS H H 59 9.517 9.517 8.791 0.726 18152 8747 1 13 . 1 1 60 60 THR N N 60 127.768 127.768 125.926 1.842 18152 8748 1 13 . 1 1 60 60 THR HA H 60 4.870 4.870 5.094 -0.224 18152 8749 1 13 . 1 1 60 60 THR C C 60 171.847 171.847 173.011 -1.164 18152 8750 1 13 . 1 1 60 60 THR CA C 60 61.358 61.358 61.781 -0.423 18152 8751 1 13 . 1 1 60 60 THR CB C 60 69.821 69.821 69.823 -0.002 18152 8752 1 13 . 1 1 60 60 THR H H 60 9.769 9.769 9.132 0.637 18152 8753 1 13 . 1 1 61 61 VAL N N 61 126.493 126.493 127.303 -0.810 18152 8754 1 13 . 1 1 61 61 VAL HA H 61 4.641 4.641 4.790 -0.149 18152 8755 1 13 . 1 1 61 61 VAL C C 61 173.794 173.794 174.313 -0.519 18152 8756 1 13 . 1 1 61 61 VAL CA C 61 59.808 59.808 60.855 -1.047 18152 8757 1 13 . 1 1 61 61 VAL CB C 61 33.334 33.334 33.539 -0.205 18152 8758 1 13 . 1 1 61 61 VAL H H 61 8.534 8.534 8.834 -0.300 18152 8759 1 13 . 1 1 62 62 LEU N N 62 126.342 126.342 128.797 -2.455 18152 8760 1 13 . 1 1 62 62 LEU HA H 62 5.345 5.345 4.992 0.353 18152 8761 1 13 . 1 1 62 62 LEU C C 62 175.554 175.554 175.706 -0.152 18152 8762 1 13 . 1 1 62 62 LEU CA C 62 51.143 51.143 52.869 -1.726 18152 8763 1 13 . 1 1 62 62 LEU CB C 62 43.344 43.344 45.054 -1.710 18152 8764 1 13 . 1 1 62 62 LEU H H 62 9.284 9.284 9.539 -0.255 18152 8765 1 13 . 1 1 63 63 SER N N 63 116.370 116.370 115.579 0.791 18152 8766 1 13 . 1 1 63 63 SER HA H 63 5.328 5.328 5.488 -0.160 18152 8767 1 13 . 1 1 63 63 SER C C 63 174.576 174.576 173.715 0.861 18152 8768 1 13 . 1 1 63 63 SER CA C 63 54.893 54.893 56.498 -1.605 18152 8769 1 13 . 1 1 63 63 SER CB C 63 64.901 64.901 66.532 -1.631 18152 8770 1 13 . 1 1 63 63 SER H H 63 9.117 9.117 8.665 0.452 18152 8771 1 13 . 1 1 64 64 GLY N N 64 111.783 111.783 107.806 3.977 18152 8772 1 13 . 1 1 64 64 GLY C C 64 173.058 173.058 171.995 1.063 18152 8773 1 13 . 1 1 64 64 GLY CA C 64 45.547 45.547 44.609 0.938 18152 8774 1 13 . 1 1 64 64 GLY H H 64 8.723 8.723 8.323 0.400 18152 8775 1 13 . 1 1 74 74 GLY C C 74 173.703 173.703 175.508 -1.805 18152 8776 1 13 . 1 1 74 74 GLY CA C 74 45.507 45.507 45.884 -0.377 18152 8777 1 13 . 1 1 75 75 GLN N N 75 116.093 116.093 120.089 -3.996 18152 8778 1 13 . 1 1 75 75 GLN HA H 75 4.229 4.229 4.160 0.069 18152 8779 1 13 . 1 1 75 75 GLN C C 75 177.319 177.319 176.960 0.359 18152 8780 1 13 . 1 1 75 75 GLN CA C 75 56.016 56.016 58.313 -2.297 18152 8781 1 13 . 1 1 75 75 GLN CB C 75 29.310 29.310 29.440 -0.130 18152 8782 1 13 . 1 1 75 75 GLN H H 75 7.598 7.598 7.562 0.036 18152 8783 1 13 . 1 1 76 76 LEU N N 76 117.894 117.894 120.729 -2.835 18152 8784 1 13 . 1 1 76 76 LEU HA H 76 4.373 4.373 4.401 -0.028 18152 8785 1 13 . 1 1 76 76 LEU C C 76 175.639 175.639 175.423 0.216 18152 8786 1 13 . 1 1 76 76 LEU CA C 76 54.578 54.578 54.893 -0.315 18152 8787 1 13 . 1 1 76 76 LEU CB C 76 41.720 41.720 40.040 1.680 18152 8788 1 13 . 1 1 76 76 LEU H H 76 7.285 7.285 7.945 -0.660 18152 8789 1 13 . 1 1 77 77 LYS N N 77 122.287 122.287 120.675 1.612 18152 8790 1 13 . 1 1 77 77 LYS HA H 77 4.545 4.545 4.476 0.069 18152 8791 1 13 . 1 1 77 77 LYS C C 77 175.553 175.553 175.639 -0.086 18152 8792 1 13 . 1 1 77 77 LYS CA C 77 53.336 53.336 55.789 -2.453 18152 8793 1 13 . 1 1 77 77 LYS CB C 77 36.380 36.380 34.228 2.152 18152 8794 1 13 . 1 1 77 77 LYS H H 77 9.513 9.513 7.592 1.921 18152 8795 1 13 . 1 1 78 78 GLU N N 78 118.949 118.949 119.986 -1.037 18152 8796 1 13 . 1 1 78 78 GLU HA H 78 3.523 3.523 4.417 -0.894 18152 8797 1 13 . 1 1 78 78 GLU C C 78 177.053 177.053 176.678 0.375 18152 8798 1 13 . 1 1 78 78 GLU CA C 78 59.205 59.205 57.830 1.375 18152 8799 1 13 . 1 1 78 78 GLU CB C 78 28.284 28.284 29.797 -1.513 18152 8800 1 13 . 1 1 78 78 GLU H H 78 8.900 8.900 8.908 -0.008 18152 8801 1 13 . 1 1 79 79 LYS N N 79 114.843 114.843 116.535 -1.692 18152 8802 1 13 . 1 1 79 79 LYS HA H 79 3.751 3.751 4.291 -0.540 18152 8803 1 13 . 1 1 79 79 LYS C C 79 176.434 176.434 176.443 -0.009 18152 8804 1 13 . 1 1 79 79 LYS CA C 79 59.231 59.231 56.226 3.005 18152 8805 1 13 . 1 1 79 79 LYS CB C 79 29.657 29.657 32.004 -2.347 18152 8806 1 13 . 1 1 79 79 LYS H H 79 8.909 8.909 8.046 0.863 18152 8807 1 13 . 1 1 80 80 ASP N N 80 119.664 119.664 120.203 -0.539 18152 8808 1 13 . 1 1 80 80 ASP HA H 80 4.946 4.946 4.686 0.260 18152 8809 1 13 . 1 1 80 80 ASP C C 80 175.886 175.886 174.845 1.041 18152 8810 1 13 . 1 1 80 80 ASP CA C 80 55.661 55.661 54.692 0.969 18152 8811 1 13 . 1 1 80 80 ASP CB C 80 41.782 41.782 42.502 -0.720 18152 8812 1 13 . 1 1 80 80 ASP H H 80 8.052 8.052 7.460 0.592 18152 8813 1 13 . 1 1 81 81 THR N N 81 111.597 111.597 115.366 -3.769 18152 8814 1 13 . 1 1 81 81 THR HA H 81 5.321 5.321 4.862 0.459 18152 8815 1 13 . 1 1 81 81 THR C C 81 174.221 174.221 173.636 0.585 18152 8816 1 13 . 1 1 81 81 THR CA C 81 61.103 61.103 61.461 -0.358 18152 8817 1 13 . 1 1 81 81 THR CB C 81 71.264 71.264 70.983 0.281 18152 8818 1 13 . 1 1 81 81 THR H H 81 8.083 8.083 8.276 -0.193 18152 8819 1 13 . 1 1 82 82 LEU N N 82 120.358 120.358 126.661 -6.303 18152 8820 1 13 . 1 1 82 82 LEU HA H 82 4.836 4.836 4.728 0.108 18152 8821 1 13 . 1 1 82 82 LEU C C 82 174.850 174.850 175.619 -0.769 18152 8822 1 13 . 1 1 82 82 LEU CA C 82 53.721 53.721 54.097 -0.376 18152 8823 1 13 . 1 1 82 82 LEU CB C 82 45.655 45.655 43.438 2.217 18152 8824 1 13 . 1 1 82 82 LEU H H 82 8.684 8.684 9.052 -0.368 18152 8825 1 13 . 1 1 83 83 VAL N N 83 121.834 121.834 122.464 -0.630 18152 8826 1 13 . 1 1 83 83 VAL HA H 83 5.269 5.269 5.403 -0.134 18152 8827 1 13 . 1 1 83 83 VAL C C 83 174.766 174.766 175.026 -0.260 18152 8828 1 13 . 1 1 83 83 VAL CA C 83 61.157 61.157 60.415 0.742 18152 8829 1 13 . 1 1 83 83 VAL CB C 83 34.923 34.923 33.362 1.561 18152 8830 1 13 . 1 1 83 83 VAL H H 83 8.670 8.670 8.997 -0.327 18152 8831 1 13 . 1 1 84 84 LEU N N 84 129.811 129.811 128.365 1.446 18152 8832 1 13 . 1 1 84 84 LEU HA H 84 5.647 5.647 5.366 0.281 18152 8833 1 13 . 1 1 84 84 LEU C C 84 175.644 175.644 176.090 -0.446 18152 8834 1 13 . 1 1 84 84 LEU CA C 84 53.160 53.160 53.185 -0.026 18152 8835 1 13 . 1 1 84 84 LEU CB C 84 46.815 46.815 44.385 2.430 18152 8836 1 13 . 1 1 84 84 LEU H H 84 10.025 10.025 9.473 0.552 18152 8837 1 13 . 1 1 85 85 GLU N N 85 125.273 125.273 124.194 1.079 18152 8838 1 13 . 1 1 85 85 GLU HA H 85 5.293 5.293 5.445 -0.152 18152 8839 1 13 . 1 1 85 85 GLU C C 85 175.910 175.910 175.357 0.553 18152 8840 1 13 . 1 1 85 85 GLU CA C 85 54.716 54.716 55.573 -0.857 18152 8841 1 13 . 1 1 85 85 GLU CB C 85 30.904 30.904 31.979 -1.075 18152 8842 1 13 . 1 1 85 85 GLU H H 85 9.117 9.117 8.943 0.174 18152 8843 1 13 . 1 1 86 86 TYR N N 86 125.299 125.299 126.699 -1.400 18152 8844 1 13 . 1 1 86 86 TYR HA H 86 4.825 4.825 4.771 0.054 18152 8845 1 13 . 1 1 86 86 TYR C C 86 174.077 174.077 174.747 -0.670 18152 8846 1 13 . 1 1 86 86 TYR CA C 86 57.516 57.516 57.786 -0.270 18152 8847 1 13 . 1 1 86 86 TYR CB C 86 41.720 41.720 42.642 -0.922 18152 8848 1 13 . 1 1 86 86 TYR H H 86 9.056 9.056 9.445 -0.389 18152 8849 1 13 . 1 1 87 87 ASP N N 87 131.006 131.006 128.921 2.085 18152 8850 1 13 . 1 1 87 87 ASP HA H 87 3.921 3.921 4.317 -0.396 18152 8851 1 13 . 1 1 87 87 ASP C C 87 171.773 171.773 175.366 -3.593 18152 8852 1 13 . 1 1 87 87 ASP CA C 87 54.613 54.613 55.350 -0.737 18152 8853 1 13 . 1 1 87 87 ASP CB C 87 39.659 39.659 39.887 -0.228 18152 8854 1 13 . 1 1 87 87 ASP H H 87 9.071 9.071 9.423 -0.352 18152 8855 1 13 . 1 1 88 88 ASN N N 88 109.843 109.843 110.613 -0.770 18152 8856 1 13 . 1 1 88 88 ASN HA H 88 4.159 4.159 4.322 -0.163 18152 8857 1 13 . 1 1 88 88 ASN C C 88 173.995 173.995 174.086 -0.091 18152 8858 1 13 . 1 1 88 88 ASN CA C 88 54.528 54.528 54.734 -0.207 18152 8859 1 13 . 1 1 88 88 ASN CB C 88 37.383 37.383 37.927 -0.544 18152 8860 1 13 . 1 1 88 88 ASN H H 88 8.613 8.613 8.876 -0.263 18152 8861 1 13 . 1 1 89 89 LYS N N 89 119.021 119.021 117.928 1.093 18152 8862 1 13 . 1 1 89 89 LYS HA H 89 4.714 4.714 5.055 -0.341 18152 8863 1 13 . 1 1 89 89 LYS C C 89 174.644 174.644 175.477 -0.833 18152 8864 1 13 . 1 1 89 89 LYS CA C 89 55.133 55.133 55.560 -0.427 18152 8865 1 13 . 1 1 89 89 LYS CB C 89 36.460 36.460 36.862 -0.402 18152 8866 1 13 . 1 1 89 89 LYS H H 89 7.903 7.903 7.840 0.063 18152 8867 1 13 . 1 1 90 90 THR N N 90 117.141 117.141 120.092 -2.951 18152 8868 1 13 . 1 1 90 90 THR HA H 90 4.819 4.819 5.323 -0.504 18152 8869 1 13 . 1 1 90 90 THR C C 90 172.823 172.823 173.959 -1.136 18152 8870 1 13 . 1 1 90 90 THR CA C 90 61.745 61.745 62.148 -0.403 18152 8871 1 13 . 1 1 90 90 THR CB C 90 69.709 69.709 70.046 -0.337 18152 8872 1 13 . 1 1 90 90 THR H H 90 8.451 8.451 9.006 -0.555 18152 8873 1 13 . 1 1 91 91 TYR N N 91 127.333 127.333 127.574 -0.241 18152 8874 1 13 . 1 1 91 91 TYR HA H 91 4.620 4.620 5.036 -0.416 18152 8875 1 13 . 1 1 91 91 TYR C C 91 174.313 174.313 175.933 -1.620 18152 8876 1 13 . 1 1 91 91 TYR CA C 91 56.764 56.764 56.792 -0.028 18152 8877 1 13 . 1 1 91 91 TYR CB C 91 41.054 41.054 40.766 0.288 18152 8878 1 13 . 1 1 91 91 TYR H H 91 9.552 9.552 9.940 -0.388 18152 8879 1 13 . 1 1 92 92 THR N N 92 117.709 117.709 118.779 -1.070 18152 8880 1 13 . 1 1 92 92 THR HA H 92 4.941 4.941 4.718 0.223 18152 8881 1 13 . 1 1 92 92 THR C C 92 172.464 172.464 173.507 -1.043 18152 8882 1 13 . 1 1 92 92 THR CA C 92 61.320 61.320 61.708 -0.388 18152 8883 1 13 . 1 1 92 92 THR CB C 92 69.546 69.546 68.893 0.653 18152 8884 1 13 . 1 1 92 92 THR H H 92 8.705 8.705 9.312 -0.607 18152 8885 1 13 . 1 1 93 93 TYR N N 93 122.946 122.946 126.506 -3.560 18152 8886 1 13 . 1 1 93 93 TYR HA H 93 5.431 5.431 5.679 -0.248 18152 8887 1 13 . 1 1 93 93 TYR C C 93 174.846 174.846 175.404 -0.558 18152 8888 1 13 . 1 1 93 93 TYR CA C 93 55.804 55.804 56.466 -0.662 18152 8889 1 13 . 1 1 93 93 TYR CB C 93 42.627 42.627 42.445 0.182 18152 8890 1 13 . 1 1 93 93 TYR H H 93 9.381 9.381 9.664 -0.283 18152 8891 1 13 . 1 1 94 94 GLU N N 94 121.240 121.240 119.882 1.358 18152 8892 1 13 . 1 1 94 94 GLU HA H 94 4.901 4.901 5.062 -0.161 18152 8893 1 13 . 1 1 94 94 GLU C C 94 177.060 177.060 175.665 1.395 18152 8894 1 13 . 1 1 94 94 GLU CA C 94 54.073 54.073 54.000 0.073 18152 8895 1 13 . 1 1 94 94 GLU CB C 94 33.787 33.787 33.826 -0.039 18152 8896 1 13 . 1 1 94 94 GLU H H 94 9.100 9.100 9.317 -0.217 18152 8897 1 13 . 1 1 95 95 ILE N N 95 128.525 128.525 123.770 4.755 18152 8898 1 13 . 1 1 95 95 ILE HA H 95 3.737 3.737 4.152 -0.415 18152 8899 1 13 . 1 1 95 95 ILE C C 95 176.261 176.261 176.736 -0.475 18152 8900 1 13 . 1 1 95 95 ILE CA C 95 64.664 64.664 62.194 2.470 18152 8901 1 13 . 1 1 95 95 ILE CB C 95 37.472 37.472 36.234 1.238 18152 8902 1 13 . 1 1 95 95 ILE H H 95 9.293 9.293 8.379 0.914 18152 8903 1 13 . 1 1 96 96 GLN N N 96 127.221 127.221 128.733 -1.512 18152 8904 1 13 . 1 1 96 96 GLN HA H 96 4.831 4.831 4.474 0.357 18152 8905 1 13 . 1 1 96 96 GLN C C 96 174.674 174.674 175.729 -1.055 18152 8906 1 13 . 1 1 96 96 GLN CA C 96 54.632 54.632 56.676 -2.044 18152 8907 1 13 . 1 1 96 96 GLN CB C 96 31.165 31.165 30.251 0.914 18152 8908 1 13 . 1 1 96 96 GLN H H 96 10.106 10.106 8.552 1.554 18152 8909 1 13 . 1 1 97 97 LYS N N 97 120.717 120.717 118.336 2.381 18152 8910 1 13 . 1 1 97 97 LYS HA H 97 4.658 4.658 4.581 0.077 18152 8911 1 13 . 1 1 97 97 LYS C C 97 173.200 173.200 174.227 -1.027 18152 8912 1 13 . 1 1 97 97 LYS CA C 97 56.528 56.528 55.606 0.922 18152 8913 1 13 . 1 1 97 97 LYS CB C 97 36.462 36.462 35.031 1.431 18152 8914 1 13 . 1 1 97 97 LYS H H 97 7.958 7.958 7.694 0.264 18152 8915 1 13 . 1 1 98 98 ILE N N 98 125.089 125.089 123.254 1.835 18152 8916 1 13 . 1 1 98 98 ILE HA H 98 5.221 5.221 4.526 0.695 18152 8917 1 13 . 1 1 98 98 ILE C C 98 175.821 175.821 175.792 0.029 18152 8918 1 13 . 1 1 98 98 ILE CA C 98 60.078 60.078 58.487 1.591 18152 8919 1 13 . 1 1 98 98 ILE CB C 98 42.082 42.082 38.804 3.277 18152 8920 1 13 . 1 1 98 98 ILE H H 98 8.458 8.458 8.512 -0.054 18152 8921 1 13 . 1 1 99 99 TRP N N 99 129.003 129.003 126.200 2.803 18152 8922 1 13 . 1 1 99 99 TRP HA H 99 4.661 4.661 4.907 -0.246 18152 8923 1 13 . 1 1 99 99 TRP C C 99 170.353 170.353 172.696 -2.343 18152 8924 1 13 . 1 1 99 99 TRP CA C 99 56.388 56.388 56.097 0.291 18152 8925 1 13 . 1 1 99 99 TRP CB C 99 31.158 31.158 30.462 0.696 18152 8926 1 13 . 1 1 99 99 TRP H H 99 9.291 9.291 8.093 1.198 18152 8927 1 13 . 1 1 100 100 ILE N N 100 117.739 117.739 119.962 -2.223 18152 8928 1 13 . 1 1 100 100 ILE HA H 100 4.616 4.616 4.732 -0.116 18152 8929 1 13 . 1 1 100 100 ILE C C 100 176.258 176.258 175.411 0.847 18152 8930 1 13 . 1 1 100 100 ILE CA C 100 58.973 58.973 60.197 -1.224 18152 8931 1 13 . 1 1 100 100 ILE CB C 100 40.734 40.734 40.773 -0.039 18152 8932 1 13 . 1 1 100 100 ILE H H 100 7.778 7.778 8.355 -0.577 18152 8933 1 13 . 1 1 101 101 THR N N 101 120.676 120.676 119.801 0.875 18152 8934 1 13 . 1 1 101 101 THR HA H 101 4.755 4.755 4.780 -0.025 18152 8935 1 13 . 1 1 101 101 THR C C 101 172.069 172.069 173.364 -1.295 18152 8936 1 13 . 1 1 101 101 THR CA C 101 57.557 57.557 59.846 -2.289 18152 8937 1 13 . 1 1 101 101 THR CB C 101 70.656 70.656 70.833 -0.177 18152 8938 1 13 . 1 1 101 101 THR H H 101 8.587 8.587 8.426 0.161 18152 8939 1 13 . 1 1 102 102 HIS N N 102 119.885 119.885 122.184 -2.299 18152 8940 1 13 . 1 1 102 102 HIS HA H 102 5.401 5.401 4.608 0.793 18152 8941 1 13 . 1 1 102 102 HIS C C 102 176.781 176.781 176.505 0.276 18152 8942 1 13 . 1 1 102 102 HIS CA C 102 54.482 54.482 56.518 -2.036 18152 8943 1 13 . 1 1 102 102 HIS CB C 102 31.240 31.240 30.465 0.775 18152 8944 1 13 . 1 1 102 102 HIS H H 102 8.194 8.194 8.646 -0.452 18152 8945 1 13 . 1 1 103 103 ALA N N 103 121.632 121.632 125.587 -3.955 18152 8946 1 13 . 1 1 103 103 ALA HA H 103 3.710 3.710 4.047 -0.337 18152 8947 1 13 . 1 1 103 103 ALA C C 103 177.587 177.587 177.169 0.418 18152 8948 1 13 . 1 1 103 103 ALA CA C 103 54.899 54.899 53.745 1.154 18152 8949 1 13 . 1 1 103 103 ALA CB C 103 17.981 17.981 18.954 -0.973 18152 8950 1 13 . 1 1 103 103 ALA H H 103 8.405 8.405 8.103 0.302 18152 8951 1 13 . 1 1 104 104 ASP N N 104 114.513 114.513 114.438 0.075 18152 8952 1 13 . 1 1 104 104 ASP HA H 104 4.603 4.603 4.615 -0.012 18152 8953 1 13 . 1 1 104 104 ASP C C 104 175.283 175.283 175.900 -0.617 18152 8954 1 13 . 1 1 104 104 ASP CA C 104 53.070 53.070 52.980 0.090 18152 8955 1 13 . 1 1 104 104 ASP CB C 104 40.034 40.034 40.727 -0.693 18152 8956 1 13 . 1 1 104 104 ASP H H 104 8.314 8.314 7.988 0.326 18152 8957 1 13 . 1 1 105 105 ASP N N 105 119.184 119.184 121.041 -1.857 18152 8958 1 13 . 1 1 105 105 ASP HA H 105 4.170 4.170 4.696 -0.526 18152 8959 1 13 . 1 1 105 105 ASP C C 105 177.674 177.674 177.059 0.615 18152 8960 1 13 . 1 1 105 105 ASP CA C 105 54.268 54.268 53.363 0.905 18152 8961 1 13 . 1 1 105 105 ASP CB C 105 39.846 39.846 41.300 -1.454 18152 8962 1 13 . 1 1 105 105 ASP H H 105 7.043 7.043 7.842 -0.799 18152 8963 1 13 . 1 1 106 106 ARG N N 106 127.998 127.998 127.301 0.697 18152 8964 1 13 . 1 1 106 106 ARG HA H 106 4.368 4.368 4.084 0.284 18152 8965 1 13 . 1 1 106 106 ARG C C 106 177.709 177.709 177.756 -0.047 18152 8966 1 13 . 1 1 106 106 ARG CA C 106 55.888 55.888 58.396 -2.508 18152 8967 1 13 . 1 1 106 106 ARG CB C 106 29.264 29.264 29.604 -0.340 18152 8968 1 13 . 1 1 106 106 ARG H H 106 8.921 8.921 8.226 0.695 18152 8969 1 13 . 1 1 107 107 THR N N 107 111.880 111.880 111.437 0.443 18152 8970 1 13 . 1 1 107 107 THR HA H 107 4.139 4.139 4.078 0.061 18152 8971 1 13 . 1 1 107 107 THR C C 107 173.548 173.548 175.532 -1.984 18152 8972 1 13 . 1 1 107 107 THR CA C 107 62.350 62.350 64.570 -2.220 18152 8973 1 13 . 1 1 107 107 THR CB C 107 68.935 68.935 68.600 0.334 18152 8974 1 13 . 1 1 107 107 THR H H 107 8.857 8.857 7.830 1.028 18152 8975 1 13 . 1 1 108 108 VAL N N 108 118.971 118.971 117.146 1.825 18152 8976 1 13 . 1 1 108 108 VAL HA H 108 3.942 3.942 4.272 -0.330 18152 8977 1 13 . 1 1 108 108 VAL C C 108 176.853 176.853 175.546 1.307 18152 8978 1 13 . 1 1 108 108 VAL CA C 108 63.878 63.878 63.065 0.813 18152 8979 1 13 . 1 1 108 108 VAL CB C 108 32.470 32.470 33.068 -0.598 18152 8980 1 13 . 1 1 108 108 VAL H H 108 6.811 6.811 7.521 -0.710 18152 8981 1 13 . 1 1 109 109 ILE N N 109 120.334 120.334 119.000 1.334 18152 8982 1 13 . 1 1 109 109 ILE HA H 109 3.438 3.438 4.247 -0.809 18152 8983 1 13 . 1 1 109 109 ILE C C 109 173.191 173.191 176.034 -2.843 18152 8984 1 13 . 1 1 109 109 ILE CA C 109 60.963 60.963 59.367 1.596 18152 8985 1 13 . 1 1 109 109 ILE CB C 109 33.933 33.933 37.242 -3.308 18152 8986 1 13 . 1 1 109 109 ILE H H 109 8.053 8.053 7.790 0.263 18152 8987 1 13 . 1 1 110 110 ILE N N 110 118.981 118.981 117.810 1.171 18152 8988 1 13 . 1 1 110 110 ILE HA H 110 4.542 4.542 4.282 0.260 18152 8989 1 13 . 1 1 110 110 ILE C C 110 174.405 174.405 175.133 -0.728 18152 8990 1 13 . 1 1 110 110 ILE CA C 110 57.932 57.932 58.834 -0.902 18152 8991 1 13 . 1 1 110 110 ILE CB C 110 42.146 42.146 38.830 3.316 18152 8992 1 13 . 1 1 110 110 ILE H H 110 6.877 6.877 7.402 -0.525 18152 8993 1 13 . 1 1 111 111 LYS N N 111 123.307 123.307 121.213 2.094 18152 8994 1 13 . 1 1 111 111 LYS HA H 111 4.609 4.609 4.586 0.023 18152 8995 1 13 . 1 1 111 111 LYS C C 111 176.528 176.528 175.611 0.917 18152 8996 1 13 . 1 1 111 111 LYS CA C 111 56.695 56.695 55.410 1.285 18152 8997 1 13 . 1 1 111 111 LYS CB C 111 33.092 33.092 33.950 -0.859 18152 8998 1 13 . 1 1 111 111 LYS H H 111 8.492 8.492 8.250 0.242 18152 8999 1 13 . 1 1 112 112 LYS N N 112 121.425 121.425 125.599 -4.174 18152 9000 1 13 . 1 1 112 112 LYS HA H 112 4.706 4.706 4.363 0.343 18152 9001 1 13 . 1 1 112 112 LYS C C 112 175.996 175.996 176.135 -0.139 18152 9002 1 13 . 1 1 112 112 LYS CA C 112 53.271 53.271 55.412 -2.141 18152 9003 1 13 . 1 1 112 112 LYS CB C 112 36.089 36.089 34.066 2.023 18152 9004 1 13 . 1 1 112 112 LYS H H 112 8.351 8.351 8.646 -0.295 18152 9005 1 13 . 1 1 113 113 GLU N N 113 119.533 119.533 123.681 -4.148 18152 9006 1 13 . 1 1 113 113 GLU HA H 113 4.372 4.372 4.220 0.152 18152 9007 1 13 . 1 1 113 113 GLU C C 113 174.477 174.477 175.844 -1.367 18152 9008 1 13 . 1 1 113 113 GLU CA C 113 55.175 55.175 56.875 -1.700 18152 9009 1 13 . 1 1 113 113 GLU CB C 113 29.097 29.097 29.557 -0.460 18152 9010 1 13 . 1 1 113 113 GLU H H 113 8.815 8.815 8.861 -0.046 18152 9011 1 13 . 1 1 114 114 GLU N N 114 117.843 117.843 116.694 1.149 18152 9012 1 13 . 1 1 114 114 GLU HA H 114 4.701 4.701 4.657 0.044 18152 9013 1 13 . 1 1 114 114 GLU C C 114 172.378 172.378 173.956 -1.578 18152 9014 1 13 . 1 1 114 114 GLU CA C 114 52.633 52.633 53.132 -0.499 18152 9015 1 13 . 1 1 114 114 GLU CB C 114 30.487 30.487 30.553 -0.066 18152 9016 1 13 . 1 1 114 114 GLU H H 114 7.426 7.426 7.614 -0.188 18152 9017 1 13 . 1 1 115 115 PRO HA H 115 4.725 4.725 5.104 -0.379 18152 9018 1 13 . 1 1 115 115 PRO CA C 115 62.352 62.352 62.963 -0.611 18152 9019 1 13 . 1 1 115 115 PRO CB C 115 30.706 30.706 31.242 -0.536 18152 9020 1 13 . 1 1 116 116 ILE N N 116 130.464 130.464 123.860 6.604 18152 9021 1 13 . 1 1 116 116 ILE HA H 116 4.785 4.785 4.874 -0.089 18152 9022 1 13 . 1 1 116 116 ILE C C 116 172.992 172.992 174.327 -1.335 18152 9023 1 13 . 1 1 116 116 ILE CA C 116 56.976 56.976 58.795 -1.819 18152 9024 1 13 . 1 1 116 116 ILE CB C 116 41.420 41.420 41.484 -0.064 18152 9025 1 13 . 1 1 116 116 ILE H H 116 7.830 7.830 8.650 -0.820 18152 9026 1 13 . 1 1 117 117 LEU N N 117 128.504 128.504 129.310 -0.806 18152 9027 1 13 . 1 1 117 117 LEU HA H 117 5.307 5.307 5.109 0.198 18152 9028 1 13 . 1 1 117 117 LEU C C 117 174.488 174.488 174.984 -0.496 18152 9029 1 13 . 1 1 117 117 LEU CA C 117 52.062 52.062 53.067 -1.005 18152 9030 1 13 . 1 1 117 117 LEU CB C 117 45.447 45.447 44.324 1.123 18152 9031 1 13 . 1 1 117 117 LEU H H 117 8.838 8.838 9.150 -0.312 18152 9032 1 13 . 1 1 118 118 THR N N 118 125.436 125.436 123.208 2.228 18152 9033 1 13 . 1 1 118 118 THR HA H 118 5.417 5.417 4.997 0.420 18152 9034 1 13 . 1 1 118 118 THR C C 118 173.169 173.169 172.477 0.692 18152 9035 1 13 . 1 1 118 118 THR CA C 118 60.596 60.596 61.605 -1.009 18152 9036 1 13 . 1 1 118 118 THR CB C 118 68.558 68.558 70.697 -2.139 18152 9037 1 13 . 1 1 118 118 THR H H 118 8.938 8.938 9.118 -0.180 18152 9038 1 13 . 1 1 119 119 LEU N N 119 128.310 128.310 129.735 -1.425 18152 9039 1 13 . 1 1 119 119 LEU HA H 119 5.103 5.103 5.150 -0.047 18152 9040 1 13 . 1 1 119 119 LEU C C 119 174.404 174.404 174.488 -0.084 18152 9041 1 13 . 1 1 119 119 LEU CA C 119 52.439 52.439 53.084 -0.645 18152 9042 1 13 . 1 1 119 119 LEU CB C 119 44.373 44.373 45.897 -1.524 18152 9043 1 13 . 1 1 119 119 LEU H H 119 9.280 9.280 9.100 0.180 18152 9044 1 13 . 1 1 120 120 THR N N 120 117.635 117.635 119.826 -2.191 18152 9045 1 13 . 1 1 120 120 THR HA H 120 5.590 5.590 5.335 0.255 18152 9046 1 13 . 1 1 120 120 THR C C 120 172.735 172.735 174.279 -1.544 18152 9047 1 13 . 1 1 120 120 THR CA C 120 57.360 57.360 59.955 -2.595 18152 9048 1 13 . 1 1 120 120 THR CB C 120 70.136 70.136 70.247 -0.111 18152 9049 1 13 . 1 1 120 120 THR H H 120 8.640 8.640 9.194 -0.554 18152 9050 1 13 . 1 1 121 121 THR N N 121 116.149 116.149 117.424 -1.275 18152 9051 1 13 . 1 1 121 121 THR HA H 121 4.766 4.766 4.597 0.169 18152 9052 1 13 . 1 1 121 121 THR C C 121 174.145 174.145 173.629 0.516 18152 9053 1 13 . 1 1 121 121 THR CA C 121 59.550 59.550 60.213 -0.663 18152 9054 1 13 . 1 1 121 121 THR CB C 121 71.701 71.701 69.653 2.048 18152 9055 1 13 . 1 1 121 121 THR H H 121 8.374 8.374 9.255 -0.881 18152 9056 1 13 . 1 1 123 123 TYR N N 123 121.847 121.847 120.401 1.446 18152 9057 1 13 . 1 1 123 123 TYR H H 123 7.461 7.461 7.981 -0.520 18152 9058 1 13 . 1 1 125 125 PHE N N 125 120.754 120.754 124.365 -3.611 18152 9059 1 13 . 1 1 125 125 PHE HA H 125 4.420 4.420 4.485 -0.065 18152 9060 1 13 . 1 1 125 125 PHE C C 125 176.083 176.083 175.948 0.135 18152 9061 1 13 . 1 1 125 125 PHE CA C 125 58.918 58.918 58.420 0.498 18152 9062 1 13 . 1 1 125 125 PHE CB C 125 38.624 38.624 38.035 0.589 18152 9063 1 13 . 1 1 125 125 PHE H H 125 7.334 7.334 7.971 -0.637 18152 9064 1 13 . 1 1 126 126 ASP N N 126 114.938 114.938 118.382 -3.444 18152 9065 1 13 . 1 1 126 126 ASP HA H 126 4.548 4.548 4.049 0.499 18152 9066 1 13 . 1 1 126 126 ASP C C 126 175.285 175.285 176.327 -1.042 18152 9067 1 13 . 1 1 126 126 ASP CA C 126 51.974 51.974 56.019 -4.045 18152 9068 1 13 . 1 1 126 126 ASP CB C 126 39.454 39.454 40.052 -0.598 18152 9069 1 13 . 1 1 126 126 ASP H H 126 8.179 8.179 7.668 0.511 18152 9070 1 13 . 1 1 127 127 TYR N N 127 121.170 121.170 119.704 1.466 18152 9071 1 13 . 1 1 127 127 TYR HA H 127 3.947 3.947 4.408 -0.461 18152 9072 1 13 . 1 1 127 127 TYR C C 127 175.022 175.022 174.839 0.183 18152 9073 1 13 . 1 1 127 127 TYR CA C 127 58.734 58.734 57.681 1.053 18152 9074 1 13 . 1 1 127 127 TYR CB C 127 39.330 39.330 39.760 -0.430 18152 9075 1 13 . 1 1 127 127 TYR H H 127 7.196 7.196 7.354 -0.158 18152 9076 1 13 . 1 1 128 128 ILE N N 128 127.293 127.293 123.728 3.565 18152 9077 1 13 . 1 1 128 128 ILE HA H 128 4.081 4.081 3.843 0.238 18152 9078 1 13 . 1 1 128 128 ILE C C 128 174.579 174.579 175.481 -0.902 18152 9079 1 13 . 1 1 128 128 ILE CA C 128 60.165 60.165 60.340 -0.175 18152 9080 1 13 . 1 1 128 128 ILE CB C 128 37.120 37.120 34.982 2.138 18152 9081 1 13 . 1 1 128 128 ILE H H 128 7.634 7.634 7.053 0.581 18152 9082 1 13 . 1 1 129 129 GLY N N 129 114.862 114.862 117.174 -2.312 18152 9083 1 13 . 1 1 129 129 GLY C C 129 172.992 172.992 173.493 -0.501 18152 9084 1 13 . 1 1 129 129 GLY CA C 129 43.458 43.458 44.895 -1.437 18152 9085 1 13 . 1 1 129 129 GLY H H 129 8.150 8.150 7.875 0.275 18152 9086 1 13 . 1 1 130 130 ASP N N 130 122.165 122.165 125.697 -3.532 18152 9087 1 13 . 1 1 130 130 ASP HA H 130 4.639 4.639 4.733 -0.094 18152 9088 1 13 . 1 1 130 130 ASP C C 130 174.579 174.579 175.536 -0.957 18152 9089 1 13 . 1 1 130 130 ASP CA C 130 53.344 53.344 53.183 0.161 18152 9090 1 13 . 1 1 130 130 ASP CB C 130 39.979 39.979 41.326 -1.347 18152 9091 1 13 . 1 1 130 130 ASP H H 130 8.541 8.541 8.623 -0.082 18152 9092 1 13 . 1 1 131 131 ALA N N 131 129.087 129.087 128.440 0.647 18152 9093 1 13 . 1 1 131 131 ALA HA H 131 3.673 3.673 3.621 0.052 18152 9094 1 13 . 1 1 131 131 ALA C C 131 176.791 176.791 176.021 0.770 18152 9095 1 13 . 1 1 131 131 ALA CA C 131 50.186 50.186 50.615 -0.429 18152 9096 1 13 . 1 1 131 131 ALA CB C 131 17.692 17.692 18.106 -0.414 18152 9097 1 13 . 1 1 131 131 ALA H H 131 8.280 8.280 8.351 -0.071 18152 9098 1 13 . 1 1 133 133 ASP N N 133 117.477 117.477 115.277 2.200 18152 9099 1 13 . 1 1 133 133 ASP HA H 133 5.512 5.512 4.698 0.814 18152 9100 1 13 . 1 1 133 133 ASP C C 133 175.988 175.988 175.559 0.429 18152 9101 1 13 . 1 1 133 133 ASP CA C 133 53.067 53.067 52.606 0.461 18152 9102 1 13 . 1 1 133 133 ASP CB C 133 45.102 45.102 40.589 4.513 18152 9103 1 13 . 1 1 133 133 ASP H H 133 7.355 7.355 7.893 -0.538 18152 9104 1 13 . 1 1 134 134 ARG N N 134 120.986 120.986 122.801 -1.815 18152 9105 1 13 . 1 1 134 134 ARG HA H 134 4.871 4.871 4.500 0.371 18152 9106 1 13 . 1 1 134 134 ARG C C 134 172.288 172.288 175.086 -2.798 18152 9107 1 13 . 1 1 134 134 ARG CA C 134 53.958 53.958 54.992 -1.034 18152 9108 1 13 . 1 1 134 134 ARG CB C 134 33.787 33.787 33.106 0.681 18152 9109 1 13 . 1 1 134 134 ARG H H 134 9.308 9.308 8.175 1.133 18152 9110 1 13 . 1 1 135 135 TYR N N 135 127.342 127.342 124.544 2.798 18152 9111 1 13 . 1 1 135 135 TYR HA H 135 4.037 4.037 4.437 -0.400 18152 9112 1 13 . 1 1 135 135 TYR C C 135 173.811 173.811 173.965 -0.154 18152 9113 1 13 . 1 1 135 135 TYR CA C 135 57.419 57.419 58.952 -1.533 18152 9114 1 13 . 1 1 135 135 TYR CB C 135 40.515 40.515 39.793 0.722 18152 9115 1 13 . 1 1 135 135 TYR H H 135 8.867 8.867 7.996 0.871 18152 9116 1 13 . 1 1 136 136 ILE N N 136 128.458 128.458 127.738 0.720 18152 9117 1 13 . 1 1 136 136 ILE HA H 136 4.133 4.133 4.709 -0.576 18152 9118 1 13 . 1 1 136 136 ILE C C 136 173.610 173.610 173.640 -0.030 18152 9119 1 13 . 1 1 136 136 ILE CA C 136 58.968 58.968 59.736 -0.768 18152 9120 1 13 . 1 1 136 136 ILE CB C 136 40.998 40.998 41.350 -0.352 18152 9121 1 13 . 1 1 136 136 ILE H H 136 8.569 8.569 8.007 0.562 18152 9122 1 13 . 1 1 137 137 ILE N N 137 123.623 123.623 128.351 -4.728 18152 9123 1 13 . 1 1 137 137 ILE HA H 137 4.330 4.330 4.112 0.218 18152 9124 1 13 . 1 1 137 137 ILE C C 137 173.524 173.524 173.861 -0.337 18152 9125 1 13 . 1 1 137 137 ILE CA C 137 59.873 59.873 59.716 0.157 18152 9126 1 13 . 1 1 137 137 ILE CB C 137 40.767 40.767 39.601 1.166 18152 9127 1 13 . 1 1 137 137 ILE H H 137 8.263 8.263 9.098 -0.835 18152 9128 1 13 . 1 1 138 138 GLU N N 138 127.009 127.009 129.419 -2.410 18152 9129 1 13 . 1 1 138 138 GLU HA H 138 5.219 5.219 4.869 0.350 18152 9130 1 13 . 1 1 138 138 GLU C C 138 175.383 175.383 174.815 0.568 18152 9131 1 13 . 1 1 138 138 GLU CA C 138 54.895 54.895 55.002 -0.107 18152 9132 1 13 . 1 1 138 138 GLU CB C 138 33.904 33.904 32.565 1.339 18152 9133 1 13 . 1 1 138 138 GLU H H 138 9.166 9.166 7.990 1.176 18152 9134 1 13 . 1 1 139 139 ALA N N 139 132.785 132.785 127.904 4.881 18152 9135 1 13 . 1 1 139 139 ALA HA H 139 5.231 5.231 5.372 -0.141 18152 9136 1 13 . 1 1 139 139 ALA C C 139 173.789 173.789 175.198 -1.409 18152 9137 1 13 . 1 1 139 139 ALA CA C 139 50.197 50.197 50.866 -0.669 18152 9138 1 13 . 1 1 139 139 ALA CB C 139 24.262 24.262 23.497 0.765 18152 9139 1 13 . 1 1 139 139 ALA H H 139 10.313 10.313 9.007 1.306 18152 9140 1 13 . 1 1 140 140 LYS N N 140 120.672 120.672 121.245 -0.573 18152 9141 1 13 . 1 1 140 140 LYS HA H 140 5.062 5.062 5.148 -0.086 18152 9142 1 13 . 1 1 140 140 LYS C C 140 175.807 175.807 175.140 0.667 18152 9143 1 13 . 1 1 140 140 LYS CA C 140 54.250 54.250 54.183 0.067 18152 9144 1 13 . 1 1 140 140 LYS CB C 140 34.937 34.937 36.460 -1.523 18152 9145 1 13 . 1 1 140 140 LYS H H 140 8.507 8.507 8.555 -0.048 18152 9146 1 13 . 1 1 141 141 LEU N N 141 126.557 126.557 124.642 1.915 18152 9147 1 13 . 1 1 141 141 LEU HA H 141 4.107 4.107 4.116 -0.009 18152 9148 1 13 . 1 1 141 141 LEU C C 141 177.236 177.236 177.215 0.021 18152 9149 1 13 . 1 1 141 141 LEU CA C 141 56.169 56.169 55.413 0.756 18152 9150 1 13 . 1 1 141 141 LEU CB C 141 42.408 42.408 42.546 -0.138 18152 9151 1 13 . 1 1 141 141 LEU H H 141 7.560 7.560 8.358 -0.798 18152 9152 1 13 . 1 1 142 142 THR N N 142 119.454 119.454 120.080 -0.626 18152 9153 1 13 . 1 1 142 142 THR HA H 142 4.522 4.522 4.446 0.076 18152 9154 1 13 . 1 1 142 142 THR C C 142 175.187 175.187 174.966 0.221 18152 9155 1 13 . 1 1 142 142 THR CA C 142 60.915 60.915 62.002 -1.087 18152 9156 1 13 . 1 1 142 142 THR CB C 142 69.490 69.490 70.521 -1.031 18152 9157 1 13 . 1 1 142 142 THR H H 142 9.562 9.562 9.232 0.330 18152 9158 1 13 . 1 1 143 143 GLY N N 143 109.946 109.946 109.743 0.203 18152 9159 1 13 . 1 1 143 143 GLY C C 143 170.713 170.713 171.885 -1.172 18152 9160 1 13 . 1 1 143 143 GLY CA C 143 45.254 45.254 44.527 0.727 18152 9161 1 13 . 1 1 143 143 GLY H H 143 7.513 7.513 7.537 -0.024 18152 9162 1 13 . 1 1 144 144 SER N N 144 112.778 112.778 114.856 -2.078 18152 9163 1 13 . 1 1 144 144 SER HA H 144 5.059 5.059 5.065 -0.006 18152 9164 1 13 . 1 1 144 144 SER C C 144 173.178 173.178 172.490 0.688 18152 9165 1 13 . 1 1 144 144 SER CA C 144 56.393 56.393 56.603 -0.210 18152 9166 1 13 . 1 1 144 144 SER CB C 144 65.587 65.587 66.173 -0.586 18152 9167 1 13 . 1 1 144 144 SER H H 144 7.877 7.877 7.910 -0.033 18152 9168 1 13 . 1 1 145 145 TYR N N 145 119.351 119.351 122.561 -3.210 18152 9169 1 13 . 1 1 145 145 TYR HA H 145 4.755 4.755 4.665 0.090 18152 9170 1 13 . 1 1 145 145 TYR C C 145 174.580 174.580 174.668 -0.088 18152 9171 1 13 . 1 1 145 145 TYR CA C 145 56.413 56.413 57.090 -0.677 18152 9172 1 13 . 1 1 145 145 TYR CB C 145 40.096 40.096 42.124 -2.028 18152 9173 1 13 . 1 1 145 145 TYR H H 145 8.374 8.374 9.115 -0.741 18152 9174 1 13 . 1 1 146 146 SER N N 146 117.533 117.533 117.230 0.303 18152 9175 1 13 . 1 1 146 146 SER HA H 146 4.564 4.564 4.740 -0.176 18152 9176 1 13 . 1 1 146 146 SER CA C 146 58.000 58.000 57.140 0.860 18152 9177 1 13 . 1 1 146 146 SER CB C 146 63.905 63.905 64.641 -0.736 18152 9178 1 13 . 1 1 146 146 SER H H 146 8.502 8.502 8.481 0.021 18152 9179 1 14 . 1 1 7 7 GLN N N 7 122.485 122.485 121.024 1.461 18152 9180 1 14 . 1 1 7 7 GLN CA C 7 55.218 55.218 55.505 -0.287 18152 9181 1 14 . 1 1 7 7 GLN CB C 7 28.842 28.842 29.784 -0.942 18152 9182 1 14 . 1 1 7 7 GLN H H 7 8.175 8.175 7.518 0.657 18152 9183 1 14 . 1 1 8 8 THR N N 8 115.244 115.244 118.012 -2.768 18152 9184 1 14 . 1 1 8 8 THR HA H 8 4.189 4.189 4.378 -0.189 18152 9185 1 14 . 1 1 8 8 THR C C 8 173.961 173.961 175.177 -1.216 18152 9186 1 14 . 1 1 8 8 THR CA C 8 61.486 61.486 61.093 0.393 18152 9187 1 14 . 1 1 8 8 THR CB C 8 69.316 69.316 68.859 0.457 18152 9188 1 14 . 1 1 8 8 THR H H 8 8.027 8.027 8.662 -0.635 18152 9189 1 14 . 1 1 9 9 GLU N N 9 123.496 123.496 121.504 1.992 18152 9190 1 14 . 1 1 9 9 GLU HA H 9 4.060 4.060 3.868 0.192 18152 9191 1 14 . 1 1 9 9 GLU C C 9 175.555 175.555 176.361 -0.806 18152 9192 1 14 . 1 1 9 9 GLU CA C 9 55.868 55.868 57.813 -1.945 18152 9193 1 14 . 1 1 9 9 GLU CB C 9 29.611 29.611 28.991 0.620 18152 9194 1 14 . 1 1 9 9 GLU H H 9 8.225 8.225 8.098 0.127 18152 9195 1 14 . 1 1 10 10 HIS N N 10 119.084 119.084 114.893 4.191 18152 9196 1 14 . 1 1 10 10 HIS HA H 10 4.384 4.384 4.435 -0.051 18152 9197 1 14 . 1 1 10 10 HIS C C 10 173.742 173.742 174.349 -0.607 18152 9198 1 14 . 1 1 10 10 HIS CA C 10 53.932 53.932 54.509 -0.577 18152 9199 1 14 . 1 1 10 10 HIS CB C 10 28.922 28.922 29.168 -0.246 18152 9200 1 14 . 1 1 10 10 HIS H H 10 7.357 7.357 7.945 -0.588 18152 9201 1 14 . 1 1 11 11 LYS N N 11 121.509 121.509 122.122 -0.613 18152 9202 1 14 . 1 1 11 11 LYS HA H 11 4.469 4.469 4.281 0.188 18152 9203 1 14 . 1 1 11 11 LYS C C 11 176.210 176.210 176.683 -0.473 18152 9204 1 14 . 1 1 11 11 LYS CA C 11 54.245 54.245 56.538 -2.293 18152 9205 1 14 . 1 1 11 11 LYS CB C 11 33.548 33.548 32.650 0.898 18152 9206 1 14 . 1 1 11 11 LYS H H 11 8.409 8.409 7.862 0.547 18152 9207 1 14 . 1 1 12 12 GLU N N 12 123.025 123.025 124.283 -1.258 18152 9208 1 14 . 1 1 12 12 GLU HA H 12 4.240 4.240 4.210 0.030 18152 9209 1 14 . 1 1 12 12 GLU C C 12 178.023 178.023 177.333 0.690 18152 9210 1 14 . 1 1 12 12 GLU CA C 12 58.350 58.350 57.974 0.376 18152 9211 1 14 . 1 1 12 12 GLU CB C 12 29.254 29.254 29.959 -0.705 18152 9212 1 14 . 1 1 12 12 GLU H H 12 8.929 8.929 8.628 0.301 18152 9213 1 14 . 1 1 13 13 GLY N N 13 113.216 113.216 111.829 1.387 18152 9214 1 14 . 1 1 13 13 GLY C C 13 174.141 174.141 174.020 0.121 18152 9215 1 14 . 1 1 13 13 GLY CA C 13 45.243 45.243 45.377 -0.134 18152 9216 1 14 . 1 1 13 13 GLY H H 13 9.714 9.714 9.364 0.350 18152 9217 1 14 . 1 1 14 14 GLU N N 14 120.782 120.782 120.603 0.179 18152 9218 1 14 . 1 1 14 14 GLU HA H 14 4.472 4.472 4.862 -0.390 18152 9219 1 14 . 1 1 14 14 GLU C C 14 176.436 176.436 175.929 0.507 18152 9220 1 14 . 1 1 14 14 GLU CA C 14 55.641 55.641 53.917 1.724 18152 9221 1 14 . 1 1 14 14 GLU CB C 14 30.989 30.989 32.197 -1.208 18152 9222 1 14 . 1 1 14 14 GLU H H 14 8.289 8.289 7.860 0.429 18152 9223 1 14 . 1 1 15 15 LYS N N 15 125.126 125.126 126.490 -1.364 18152 9224 1 14 . 1 1 15 15 LYS HA H 15 4.100 4.100 3.673 0.427 18152 9225 1 14 . 1 1 15 15 LYS C C 15 176.970 176.970 176.582 0.388 18152 9226 1 14 . 1 1 15 15 LYS CA C 15 57.098 57.098 57.550 -0.452 18152 9227 1 14 . 1 1 15 15 LYS CB C 15 31.680 31.680 31.646 0.034 18152 9228 1 14 . 1 1 15 15 LYS H H 15 8.978 8.978 9.054 -0.076 18152 9229 1 14 . 1 1 16 16 VAL N N 16 119.214 119.214 119.716 -0.502 18152 9230 1 14 . 1 1 16 16 VAL HA H 16 4.572 4.572 4.349 0.223 18152 9231 1 14 . 1 1 16 16 VAL C C 16 174.148 174.148 174.671 -0.523 18152 9232 1 14 . 1 1 16 16 VAL CA C 16 60.141 60.141 61.566 -1.425 18152 9233 1 14 . 1 1 16 16 VAL CB C 16 34.881 34.881 33.693 1.188 18152 9234 1 14 . 1 1 16 16 VAL H H 16 8.976 8.976 7.948 1.028 18152 9235 1 14 . 1 1 17 17 ALA N N 17 121.368 121.368 121.473 -0.105 18152 9236 1 14 . 1 1 17 17 ALA HA H 17 5.186 5.186 5.115 0.071 18152 9237 1 14 . 1 1 17 17 ALA C C 17 174.664 174.664 174.773 -0.109 18152 9238 1 14 . 1 1 17 17 ALA CA C 17 51.098 51.098 50.313 0.785 18152 9239 1 14 . 1 1 17 17 ALA CB C 17 22.853 22.853 22.712 0.141 18152 9240 1 14 . 1 1 17 17 ALA H H 17 8.069 8.069 7.542 0.527 18152 9241 1 14 . 1 1 18 18 MET N N 18 116.475 116.475 119.387 -2.912 18152 9242 1 14 . 1 1 18 18 MET HA H 18 5.303 5.303 4.966 0.337 18152 9243 1 14 . 1 1 18 18 MET C C 18 174.413 174.413 174.048 0.365 18152 9244 1 14 . 1 1 18 18 MET CA C 18 53.607 53.607 53.952 -0.345 18152 9245 1 14 . 1 1 18 18 MET CB C 18 35.038 35.038 37.451 -2.413 18152 9246 1 14 . 1 1 18 18 MET H H 18 8.142 8.142 8.274 -0.132 18152 9247 1 14 . 1 1 19 19 LEU N N 19 126.244 126.244 126.742 -0.498 18152 9248 1 14 . 1 1 19 19 LEU HA H 19 5.268 5.268 5.162 0.106 18152 9249 1 14 . 1 1 19 19 LEU C C 19 173.617 173.617 174.298 -0.681 18152 9250 1 14 . 1 1 19 19 LEU CA C 19 52.851 52.851 53.651 -0.800 18152 9251 1 14 . 1 1 19 19 LEU CB C 19 44.705 44.705 44.798 -0.093 18152 9252 1 14 . 1 1 19 19 LEU H H 19 9.369 9.369 9.284 0.085 18152 9253 1 14 . 1 1 20 20 ASN N N 20 126.596 126.596 125.966 0.630 18152 9254 1 14 . 1 1 20 20 ASN HA H 20 5.340 5.340 5.405 -0.065 18152 9255 1 14 . 1 1 20 20 ASN C C 20 174.316 174.316 173.686 0.630 18152 9256 1 14 . 1 1 20 20 ASN CA C 20 51.344 51.344 52.053 -0.709 18152 9257 1 14 . 1 1 20 20 ASN CB C 20 40.972 40.972 42.142 -1.170 18152 9258 1 14 . 1 1 20 20 ASN H H 20 10.032 10.032 9.303 0.729 18152 9259 1 14 . 1 1 21 21 ILE N N 21 123.799 123.799 126.152 -2.353 18152 9260 1 14 . 1 1 21 21 ILE HA H 21 4.829 4.829 4.834 -0.005 18152 9261 1 14 . 1 1 21 21 ILE C C 21 174.409 174.409 174.994 -0.585 18152 9262 1 14 . 1 1 21 21 ILE CA C 21 58.243 58.243 58.418 -0.175 18152 9263 1 14 . 1 1 21 21 ILE CB C 21 37.477 37.477 39.092 -1.615 18152 9264 1 14 . 1 1 21 21 ILE H H 21 8.614 8.614 9.409 -0.795 18152 9265 1 14 . 1 1 22 22 PRO HA H 22 4.178 4.178 4.432 -0.254 18152 9266 1 14 . 1 1 22 22 PRO CA C 22 65.629 65.629 65.306 0.323 18152 9267 1 14 . 1 1 22 22 PRO CB C 22 31.806 31.806 32.171 -0.365 18152 9268 1 14 . 1 1 23 23 LYS N N 23 118.170 118.170 120.378 -2.208 18152 9269 1 14 . 1 1 23 23 LYS HA H 23 3.943 3.943 4.123 -0.180 18152 9270 1 14 . 1 1 23 23 LYS C C 23 177.231 177.231 177.965 -0.734 18152 9271 1 14 . 1 1 23 23 LYS CA C 23 58.643 58.643 58.871 -0.228 18152 9272 1 14 . 1 1 23 23 LYS CB C 23 33.171 33.171 32.184 0.987 18152 9273 1 14 . 1 1 23 23 LYS H H 23 9.365 9.365 8.577 0.788 18152 9274 1 14 . 1 1 24 24 LEU N N 24 111.984 111.984 115.891 -3.907 18152 9275 1 14 . 1 1 24 24 LEU HA H 24 4.319 4.319 4.490 -0.171 18152 9276 1 14 . 1 1 24 24 LEU C C 24 175.562 175.562 175.989 -0.427 18152 9277 1 14 . 1 1 24 24 LEU CA C 24 52.965 52.965 54.036 -1.071 18152 9278 1 14 . 1 1 24 24 LEU CB C 24 42.473 42.473 40.760 1.713 18152 9279 1 14 . 1 1 24 24 LEU H H 24 6.919 6.919 8.062 -1.143 18152 9280 1 14 . 1 1 25 25 LYS N N 25 115.814 115.814 117.349 -1.535 18152 9281 1 14 . 1 1 25 25 LYS HA H 25 3.849 3.849 3.984 -0.135 18152 9282 1 14 . 1 1 25 25 LYS C C 25 175.297 175.297 175.495 -0.198 18152 9283 1 14 . 1 1 25 25 LYS CA C 25 56.598 56.598 57.443 -0.845 18152 9284 1 14 . 1 1 25 25 LYS CB C 25 28.918 28.918 29.810 -0.892 18152 9285 1 14 . 1 1 25 25 LYS H H 25 7.912 7.912 7.401 0.511 18152 9286 1 14 . 1 1 26 26 LYS N N 26 115.145 115.145 119.015 -3.870 18152 9287 1 14 . 1 1 26 26 LYS HA H 26 4.559 4.559 4.455 0.104 18152 9288 1 14 . 1 1 26 26 LYS C C 26 173.961 173.961 175.094 -1.133 18152 9289 1 14 . 1 1 26 26 LYS CA C 26 53.788 53.788 54.569 -0.782 18152 9290 1 14 . 1 1 26 26 LYS CB C 26 37.483 37.483 35.774 1.709 18152 9291 1 14 . 1 1 26 26 LYS H H 26 6.765 6.765 7.969 -1.204 18152 9292 1 14 . 1 1 27 27 LYS N N 27 119.758 119.758 120.490 -0.732 18152 9293 1 14 . 1 1 27 27 LYS HA H 27 5.452 5.452 5.369 0.083 18152 9294 1 14 . 1 1 27 27 LYS C C 27 175.482 175.482 175.197 0.285 18152 9295 1 14 . 1 1 27 27 LYS CA C 27 53.883 53.883 54.871 -0.988 18152 9296 1 14 . 1 1 27 27 LYS CB C 27 35.855 35.855 36.062 -0.207 18152 9297 1 14 . 1 1 27 27 LYS H H 27 7.885 7.885 8.055 -0.170 18152 9298 1 14 . 1 1 28 28 PHE N N 28 119.077 119.077 120.296 -1.219 18152 9299 1 14 . 1 1 28 28 PHE HA H 28 4.871 4.871 4.810 0.061 18152 9300 1 14 . 1 1 28 28 PHE C C 28 175.477 175.477 173.666 1.811 18152 9301 1 14 . 1 1 28 28 PHE CA C 28 56.100 56.100 56.524 -0.424 18152 9302 1 14 . 1 1 28 28 PHE CB C 28 42.734 42.734 44.194 -1.460 18152 9303 1 14 . 1 1 28 28 PHE H H 28 9.397 9.397 9.456 -0.059 18152 9304 1 14 . 1 1 29 29 SER N N 29 121.189 121.189 117.200 3.989 18152 9305 1 14 . 1 1 29 29 SER HA H 29 4.848 4.848 4.841 0.007 18152 9306 1 14 . 1 1 29 29 SER C C 29 172.010 172.010 174.032 -2.022 18152 9307 1 14 . 1 1 29 29 SER CA C 29 59.961 59.961 57.162 2.799 18152 9308 1 14 . 1 1 29 29 SER CB C 29 64.433 64.433 63.870 0.563 18152 9309 1 14 . 1 1 29 29 SER H H 29 9.010 9.010 8.772 0.238 18152 9310 1 14 . 1 1 30 30 ILE N N 30 120.881 120.881 125.089 -4.208 18152 9311 1 14 . 1 1 30 30 ILE HA H 30 4.942 4.942 4.426 0.516 18152 9312 1 14 . 1 1 30 30 ILE C C 30 174.874 174.874 174.706 0.168 18152 9313 1 14 . 1 1 30 30 ILE CA C 30 57.775 57.775 59.260 -1.485 18152 9314 1 14 . 1 1 30 30 ILE CB C 30 38.001 38.001 37.557 0.444 18152 9315 1 14 . 1 1 30 30 ILE H H 30 8.084 8.084 8.607 -0.523 18152 9316 1 14 . 1 1 31 31 TYR N N 31 127.573 127.573 126.036 1.537 18152 9317 1 14 . 1 1 31 31 TYR HA H 31 5.299 5.299 4.914 0.385 18152 9318 1 14 . 1 1 31 31 TYR C C 31 174.806 174.806 175.323 -0.517 18152 9319 1 14 . 1 1 31 31 TYR CA C 31 56.120 56.120 56.544 -0.424 18152 9320 1 14 . 1 1 31 31 TYR CB C 31 41.139 41.139 41.114 0.025 18152 9321 1 14 . 1 1 31 31 TYR H H 31 9.174 9.174 8.563 0.611 18152 9322 1 14 . 1 1 32 32 TRP N N 32 121.993 121.993 124.373 -2.380 18152 9323 1 14 . 1 1 32 32 TRP HA H 32 4.583 4.583 4.587 -0.004 18152 9324 1 14 . 1 1 32 32 TRP C C 32 175.194 175.194 175.970 -0.776 18152 9325 1 14 . 1 1 32 32 TRP CA C 32 57.396 57.396 59.253 -1.857 18152 9326 1 14 . 1 1 32 32 TRP CB C 32 29.670 29.670 30.690 -1.020 18152 9327 1 14 . 1 1 32 32 TRP H H 32 9.007 9.007 9.126 -0.119 18152 9328 1 14 . 1 1 33 33 GLY N N 33 120.470 120.470 112.303 8.167 18152 9329 1 14 . 1 1 33 33 GLY C C 33 171.936 171.936 171.949 -0.013 18152 9330 1 14 . 1 1 33 33 GLY CA C 33 44.532 44.532 44.101 0.431 18152 9331 1 14 . 1 1 33 33 GLY H H 33 7.758 7.758 6.916 0.842 18152 9332 1 14 . 1 1 34 34 ALA N N 34 120.239 120.239 124.741 -4.502 18152 9333 1 14 . 1 1 34 34 ALA HA H 34 4.447 4.447 4.462 -0.015 18152 9334 1 14 . 1 1 34 34 ALA C C 34 176.174 176.174 176.040 0.134 18152 9335 1 14 . 1 1 34 34 ALA CA C 34 49.913 49.913 50.595 -0.682 18152 9336 1 14 . 1 1 34 34 ALA CB C 34 18.955 18.955 19.230 -0.275 18152 9337 1 14 . 1 1 34 34 ALA H H 34 7.883 7.883 7.980 -0.097 18152 9338 1 14 . 1 1 35 35 ASP N N 35 118.828 118.828 122.623 -3.795 18152 9339 1 14 . 1 1 35 35 ASP HA H 35 4.450 4.450 4.698 -0.248 18152 9340 1 14 . 1 1 35 35 ASP C C 35 175.990 175.990 176.293 -0.303 18152 9341 1 14 . 1 1 35 35 ASP CA C 35 53.030 53.030 53.508 -0.478 18152 9342 1 14 . 1 1 35 35 ASP CB C 35 41.508 41.508 43.033 -1.525 18152 9343 1 14 . 1 1 35 35 ASP H H 35 7.944 7.944 7.992 -0.048 18152 9344 1 14 . 1 1 36 36 ASP N N 36 121.051 121.051 122.318 -1.267 18152 9345 1 14 . 1 1 36 36 ASP HA H 36 4.335 4.335 4.262 0.073 18152 9346 1 14 . 1 1 36 36 ASP C C 36 177.296 177.296 176.781 0.515 18152 9347 1 14 . 1 1 36 36 ASP CA C 36 55.183 55.183 55.400 -0.217 18152 9348 1 14 . 1 1 36 36 ASP CB C 36 39.837 39.837 41.036 -1.199 18152 9349 1 14 . 1 1 36 36 ASP H H 36 8.509 8.509 8.649 -0.140 18152 9350 1 14 . 1 1 37 37 ALA N N 37 119.568 119.568 120.379 -0.811 18152 9351 1 14 . 1 1 37 37 ALA HA H 37 4.060 4.060 4.121 -0.061 18152 9352 1 14 . 1 1 37 37 ALA C C 37 179.598 179.598 178.005 1.593 18152 9353 1 14 . 1 1 37 37 ALA CA C 37 53.967 53.967 53.548 0.419 18152 9354 1 14 . 1 1 37 37 ALA CB C 37 18.009 18.009 18.628 -0.619 18152 9355 1 14 . 1 1 37 37 ALA H H 37 8.169 8.169 7.860 0.309 18152 9356 1 14 . 1 1 38 38 THR HA H 38 3.850 3.850 4.075 -0.225 18152 9357 1 14 . 1 1 38 38 THR CA C 38 68.437 68.437 62.427 6.010 18152 9358 1 14 . 1 1 38 38 THR CB C 38 72.916 72.916 68.699 4.217 18152 9359 1 14 . 1 1 38 38 THR H H 38 7.621 7.621 7.436 0.185 18152 9360 1 14 . 1 1 42 42 GLY N N 42 106.310 106.310 106.050 0.260 18152 9361 1 14 . 1 1 42 42 GLY CA C 42 46.480 46.480 45.139 1.341 18152 9362 1 14 . 1 1 43 43 VAL N N 43 121.961 121.961 118.710 3.251 18152 9363 1 14 . 1 1 43 43 VAL HA H 43 4.481 4.481 4.817 -0.336 18152 9364 1 14 . 1 1 43 43 VAL C C 43 174.308 174.308 174.540 -0.232 18152 9365 1 14 . 1 1 43 43 VAL CA C 43 61.079 61.079 59.797 1.282 18152 9366 1 14 . 1 1 43 43 VAL CB C 43 32.911 32.911 32.787 0.124 18152 9367 1 14 . 1 1 43 43 VAL H H 43 8.247 8.247 7.180 1.067 18152 9368 1 14 . 1 1 44 44 GLY N N 44 114.325 114.325 112.660 1.665 18152 9369 1 14 . 1 1 44 44 GLY C C 44 172.465 172.465 171.865 0.600 18152 9370 1 14 . 1 1 44 44 GLY CA C 44 43.458 43.458 43.454 0.004 18152 9371 1 14 . 1 1 44 44 GLY H H 44 9.063 9.063 8.506 0.557 18152 9372 1 14 . 1 1 45 45 MET N N 45 125.031 125.031 123.659 1.372 18152 9373 1 14 . 1 1 45 45 MET HA H 45 4.742 4.742 4.896 -0.154 18152 9374 1 14 . 1 1 45 45 MET C C 45 173.873 173.873 174.097 -0.224 18152 9375 1 14 . 1 1 45 45 MET CA C 45 54.084 54.084 55.190 -1.106 18152 9376 1 14 . 1 1 45 45 MET CB C 45 34.548 34.548 35.480 -0.932 18152 9377 1 14 . 1 1 45 45 MET H H 45 8.966 8.966 9.074 -0.108 18152 9378 1 14 . 1 1 46 46 PHE N N 46 127.637 127.637 125.935 1.702 18152 9379 1 14 . 1 1 46 46 PHE HA H 46 3.611 3.611 4.304 -0.693 18152 9380 1 14 . 1 1 46 46 PHE C C 46 175.023 175.023 174.270 0.753 18152 9381 1 14 . 1 1 46 46 PHE CA C 46 59.286 59.286 58.660 0.626 18152 9382 1 14 . 1 1 46 46 PHE CB C 46 40.644 40.644 40.181 0.463 18152 9383 1 14 . 1 1 46 46 PHE H H 46 8.790 8.790 8.696 0.094 18152 9384 1 14 . 1 1 47 47 VAL N N 47 130.695 130.695 125.888 4.807 18152 9385 1 14 . 1 1 47 47 VAL HA H 47 3.663 3.663 4.212 -0.549 18152 9386 1 14 . 1 1 47 47 VAL C C 47 174.235 174.235 174.144 0.091 18152 9387 1 14 . 1 1 47 47 VAL CA C 47 61.455 61.455 60.982 0.473 18152 9388 1 14 . 1 1 47 47 VAL CB C 47 32.002 32.002 32.891 -0.889 18152 9389 1 14 . 1 1 47 47 VAL H H 47 7.942 7.942 7.529 0.413 18152 9390 1 14 . 1 1 48 48 SER N N 48 120.391 120.391 121.381 -0.990 18152 9391 1 14 . 1 1 48 48 SER HA H 48 4.626 4.626 4.926 -0.300 18152 9392 1 14 . 1 1 48 48 SER C C 48 173.167 173.167 172.497 0.670 18152 9393 1 14 . 1 1 48 48 SER CA C 48 57.384 57.384 57.880 -0.496 18152 9394 1 14 . 1 1 48 48 SER CB C 48 65.720 65.720 66.366 -0.646 18152 9395 1 14 . 1 1 48 48 SER H H 48 7.971 7.971 8.837 -0.866 18152 9396 1 14 . 1 1 49 49 ASP N N 49 117.498 117.498 121.299 -3.801 18152 9397 1 14 . 1 1 49 49 ASP HA H 49 4.603 4.603 4.533 0.070 18152 9398 1 14 . 1 1 49 49 ASP C C 49 174.539 174.539 177.315 -2.776 18152 9399 1 14 . 1 1 49 49 ASP CA C 49 55.222 55.222 56.398 -1.176 18152 9400 1 14 . 1 1 49 49 ASP CB C 49 40.206 40.206 41.268 -1.062 18152 9401 1 14 . 1 1 49 49 ASP H H 49 8.701 8.701 8.832 -0.131 18152 9402 1 14 . 1 1 50 50 VAL N N 50 109.465 109.465 110.012 -0.547 18152 9403 1 14 . 1 1 50 50 VAL HA H 50 4.455 4.455 4.167 0.288 18152 9404 1 14 . 1 1 50 50 VAL C C 50 174.487 174.487 175.786 -1.299 18152 9405 1 14 . 1 1 50 50 VAL CA C 50 60.840 60.840 63.639 -2.799 18152 9406 1 14 . 1 1 50 50 VAL CB C 50 32.067 32.067 31.621 0.446 18152 9407 1 14 . 1 1 50 50 VAL H H 50 7.770 7.770 7.849 -0.079 18152 9408 1 14 . 1 1 51 51 THR N N 51 110.572 110.572 111.991 -1.419 18152 9409 1 14 . 1 1 51 51 THR HA H 51 5.293 5.293 4.750 0.543 18152 9410 1 14 . 1 1 51 51 THR C C 51 174.591 174.591 174.947 -0.356 18152 9411 1 14 . 1 1 51 51 THR CA C 51 58.487 58.487 60.603 -2.116 18152 9412 1 14 . 1 1 51 51 THR CB C 51 71.674 71.674 70.132 1.542 18152 9413 1 14 . 1 1 51 51 THR H H 51 7.095 7.095 7.504 -0.409 18152 9414 1 14 . 1 1 52 52 THR N N 52 109.706 109.706 113.990 -4.284 18152 9415 1 14 . 1 1 52 52 THR HA H 52 4.988 4.988 4.886 0.102 18152 9416 1 14 . 1 1 52 52 THR C C 52 177.060 177.060 173.657 3.403 18152 9417 1 14 . 1 1 52 52 THR CA C 52 59.777 59.777 60.446 -0.669 18152 9418 1 14 . 1 1 52 52 THR CB C 52 72.911 72.911 71.620 1.292 18152 9419 1 14 . 1 1 52 52 THR H H 52 8.836 8.836 9.071 -0.235 18152 9420 1 14 . 1 1 53 53 THR N N 53 113.970 113.970 113.333 0.637 18152 9421 1 14 . 1 1 53 53 THR HA H 53 4.601 4.601 4.778 -0.177 18152 9422 1 14 . 1 1 53 53 THR C C 53 176.085 176.085 173.452 2.633 18152 9423 1 14 . 1 1 53 53 THR CA C 53 60.920 60.920 58.329 2.591 18152 9424 1 14 . 1 1 53 53 THR CB C 53 67.192 67.192 70.178 -2.986 18152 9425 1 14 . 1 1 53 53 THR H H 53 8.857 8.857 8.242 0.615 18152 9426 1 14 . 1 1 54 54 PRO HA H 54 4.023 4.023 4.500 -0.477 18152 9427 1 14 . 1 1 54 54 PRO CA C 54 64.658 64.658 63.245 1.413 18152 9428 1 14 . 1 1 54 54 PRO CB C 54 29.665 29.665 30.624 -0.959 18152 9429 1 14 . 1 1 55 55 SER N N 55 105.932 105.932 116.344 -10.412 18152 9430 1 14 . 1 1 55 55 SER HA H 55 4.448 4.448 4.079 0.369 18152 9431 1 14 . 1 1 55 55 SER C C 55 176.253 176.253 173.661 2.592 18152 9432 1 14 . 1 1 55 55 SER CA C 55 58.086 58.086 57.539 0.547 18152 9433 1 14 . 1 1 55 55 SER CB C 55 62.950 62.950 64.004 -1.054 18152 9434 1 14 . 1 1 55 55 SER H H 55 6.879 6.879 7.975 -1.096 18152 9435 1 14 . 1 1 56 56 GLY N N 56 109.826 109.826 109.819 0.007 18152 9436 1 14 . 1 1 56 56 GLY C C 56 175.832 175.832 173.659 2.173 18152 9437 1 14 . 1 1 56 56 GLY CA C 56 45.213 45.213 45.518 -0.305 18152 9438 1 14 . 1 1 56 56 GLY H H 56 7.733 7.733 7.728 0.005 18152 9439 1 14 . 1 1 57 57 GLY N N 57 105.805 105.805 108.814 -3.009 18152 9440 1 14 . 1 1 57 57 GLY C C 57 172.905 172.905 173.346 -0.441 18152 9441 1 14 . 1 1 57 57 GLY CA C 57 46.480 46.480 45.400 1.080 18152 9442 1 14 . 1 1 57 57 GLY H H 57 7.481 7.481 8.442 -0.961 18152 9443 1 14 . 1 1 58 58 GLY N N 58 109.086 109.086 110.149 -1.063 18152 9444 1 14 . 1 1 58 58 GLY C C 58 172.807 172.807 172.753 0.054 18152 9445 1 14 . 1 1 58 58 GLY CA C 58 43.642 43.642 44.947 -1.305 18152 9446 1 14 . 1 1 58 58 GLY H H 58 7.549 7.549 7.888 -0.339 18152 9447 1 14 . 1 1 59 59 HIS N N 59 127.776 127.776 122.662 5.114 18152 9448 1 14 . 1 1 59 59 HIS HA H 59 5.162 5.162 4.659 0.503 18152 9449 1 14 . 1 1 59 59 HIS C C 59 174.930 174.930 174.706 0.224 18152 9450 1 14 . 1 1 59 59 HIS CA C 59 52.820 52.820 54.875 -2.055 18152 9451 1 14 . 1 1 59 59 HIS CB C 59 30.250 30.250 30.156 0.094 18152 9452 1 14 . 1 1 59 59 HIS H H 59 9.517 9.517 8.891 0.626 18152 9453 1 14 . 1 1 60 60 THR N N 60 127.768 127.768 125.904 1.864 18152 9454 1 14 . 1 1 60 60 THR HA H 60 4.870 4.870 4.953 -0.083 18152 9455 1 14 . 1 1 60 60 THR C C 60 171.847 171.847 173.121 -1.274 18152 9456 1 14 . 1 1 60 60 THR CA C 60 61.358 61.358 62.028 -0.670 18152 9457 1 14 . 1 1 60 60 THR CB C 60 69.821 69.821 69.579 0.242 18152 9458 1 14 . 1 1 60 60 THR H H 60 9.769 9.769 9.170 0.599 18152 9459 1 14 . 1 1 61 61 VAL N N 61 126.493 126.493 128.165 -1.672 18152 9460 1 14 . 1 1 61 61 VAL HA H 61 4.641 4.641 4.938 -0.297 18152 9461 1 14 . 1 1 61 61 VAL C C 61 173.794 173.794 174.345 -0.551 18152 9462 1 14 . 1 1 61 61 VAL CA C 61 59.808 59.808 60.907 -1.099 18152 9463 1 14 . 1 1 61 61 VAL CB C 61 33.334 33.334 33.431 -0.097 18152 9464 1 14 . 1 1 61 61 VAL H H 61 8.534 8.534 8.757 -0.223 18152 9465 1 14 . 1 1 62 62 LEU N N 62 126.342 126.342 127.308 -0.966 18152 9466 1 14 . 1 1 62 62 LEU HA H 62 5.345 5.345 5.498 -0.153 18152 9467 1 14 . 1 1 62 62 LEU C C 62 175.554 175.554 175.650 -0.096 18152 9468 1 14 . 1 1 62 62 LEU CA C 62 51.143 51.143 52.775 -1.631 18152 9469 1 14 . 1 1 62 62 LEU CB C 62 43.344 43.344 46.029 -2.685 18152 9470 1 14 . 1 1 62 62 LEU H H 62 9.284 9.284 9.446 -0.162 18152 9471 1 14 . 1 1 63 63 SER N N 63 116.370 116.370 114.997 1.373 18152 9472 1 14 . 1 1 63 63 SER HA H 63 5.328 5.328 5.568 -0.240 18152 9473 1 14 . 1 1 63 63 SER C C 63 174.576 174.576 173.223 1.353 18152 9474 1 14 . 1 1 63 63 SER CA C 63 54.893 54.893 56.261 -1.367 18152 9475 1 14 . 1 1 63 63 SER CB C 63 64.901 64.901 65.359 -0.458 18152 9476 1 14 . 1 1 63 63 SER H H 63 9.117 9.117 8.439 0.678 18152 9477 1 14 . 1 1 64 64 GLY N N 64 111.783 111.783 109.947 1.836 18152 9478 1 14 . 1 1 64 64 GLY C C 64 173.058 173.058 171.263 1.795 18152 9479 1 14 . 1 1 64 64 GLY CA C 64 45.547 45.547 44.870 0.678 18152 9480 1 14 . 1 1 64 64 GLY H H 64 8.723 8.723 8.101 0.622 18152 9481 1 14 . 1 1 74 74 GLY C C 74 173.703 173.703 175.613 -1.910 18152 9482 1 14 . 1 1 74 74 GLY CA C 74 45.507 45.507 45.544 -0.037 18152 9483 1 14 . 1 1 75 75 GLN N N 75 116.093 116.093 118.945 -2.852 18152 9484 1 14 . 1 1 75 75 GLN HA H 75 4.229 4.229 4.173 0.056 18152 9485 1 14 . 1 1 75 75 GLN C C 75 177.319 177.319 177.136 0.183 18152 9486 1 14 . 1 1 75 75 GLN CA C 75 56.016 56.016 57.237 -1.221 18152 9487 1 14 . 1 1 75 75 GLN CB C 75 29.310 29.310 29.396 -0.086 18152 9488 1 14 . 1 1 75 75 GLN H H 75 7.598 7.598 7.697 -0.099 18152 9489 1 14 . 1 1 76 76 LEU N N 76 117.894 117.894 121.356 -3.462 18152 9490 1 14 . 1 1 76 76 LEU HA H 76 4.373 4.373 4.418 -0.045 18152 9491 1 14 . 1 1 76 76 LEU C C 76 175.639 175.639 175.383 0.256 18152 9492 1 14 . 1 1 76 76 LEU CA C 76 54.578 54.578 54.913 -0.334 18152 9493 1 14 . 1 1 76 76 LEU CB C 76 41.720 41.720 40.367 1.353 18152 9494 1 14 . 1 1 76 76 LEU H H 76 7.285 7.285 7.752 -0.467 18152 9495 1 14 . 1 1 77 77 LYS N N 77 122.287 122.287 121.365 0.922 18152 9496 1 14 . 1 1 77 77 LYS HA H 77 4.545 4.545 4.442 0.103 18152 9497 1 14 . 1 1 77 77 LYS C C 77 175.553 175.553 175.720 -0.167 18152 9498 1 14 . 1 1 77 77 LYS CA C 77 53.336 53.336 56.065 -2.729 18152 9499 1 14 . 1 1 77 77 LYS CB C 77 36.380 36.380 34.616 1.764 18152 9500 1 14 . 1 1 77 77 LYS H H 77 9.513 9.513 7.621 1.892 18152 9501 1 14 . 1 1 78 78 GLU N N 78 118.949 118.949 123.055 -4.106 18152 9502 1 14 . 1 1 78 78 GLU HA H 78 3.523 3.523 4.378 -0.855 18152 9503 1 14 . 1 1 78 78 GLU C C 78 177.053 177.053 176.659 0.394 18152 9504 1 14 . 1 1 78 78 GLU CA C 78 59.205 59.205 58.307 0.898 18152 9505 1 14 . 1 1 78 78 GLU CB C 78 28.284 28.284 29.698 -1.414 18152 9506 1 14 . 1 1 78 78 GLU H H 78 8.900 8.900 8.961 -0.061 18152 9507 1 14 . 1 1 79 79 LYS N N 79 114.843 114.843 116.807 -1.964 18152 9508 1 14 . 1 1 79 79 LYS HA H 79 3.751 3.751 4.255 -0.504 18152 9509 1 14 . 1 1 79 79 LYS C C 79 176.434 176.434 176.705 -0.271 18152 9510 1 14 . 1 1 79 79 LYS CA C 79 59.231 59.231 56.713 2.518 18152 9511 1 14 . 1 1 79 79 LYS CB C 79 29.657 29.657 32.242 -2.586 18152 9512 1 14 . 1 1 79 79 LYS H H 79 8.909 8.909 7.808 1.101 18152 9513 1 14 . 1 1 80 80 ASP N N 80 119.664 119.664 121.927 -2.263 18152 9514 1 14 . 1 1 80 80 ASP HA H 80 4.946 4.946 4.658 0.288 18152 9515 1 14 . 1 1 80 80 ASP C C 80 175.886 175.886 174.947 0.939 18152 9516 1 14 . 1 1 80 80 ASP CA C 80 55.661 55.661 55.205 0.456 18152 9517 1 14 . 1 1 80 80 ASP CB C 80 41.782 41.782 42.116 -0.334 18152 9518 1 14 . 1 1 80 80 ASP H H 80 8.052 8.052 7.719 0.333 18152 9519 1 14 . 1 1 81 81 THR N N 81 111.597 111.597 115.251 -3.654 18152 9520 1 14 . 1 1 81 81 THR HA H 81 5.321 5.321 4.929 0.392 18152 9521 1 14 . 1 1 81 81 THR C C 81 174.221 174.221 173.816 0.405 18152 9522 1 14 . 1 1 81 81 THR CA C 81 61.103 61.103 61.419 -0.316 18152 9523 1 14 . 1 1 81 81 THR CB C 81 71.264 71.264 70.843 0.421 18152 9524 1 14 . 1 1 81 81 THR H H 81 8.083 8.083 8.244 -0.161 18152 9525 1 14 . 1 1 82 82 LEU N N 82 120.358 120.358 126.941 -6.583 18152 9526 1 14 . 1 1 82 82 LEU HA H 82 4.836 4.836 4.685 0.151 18152 9527 1 14 . 1 1 82 82 LEU C C 82 174.850 174.850 175.983 -1.133 18152 9528 1 14 . 1 1 82 82 LEU CA C 82 53.721 53.721 54.216 -0.495 18152 9529 1 14 . 1 1 82 82 LEU CB C 82 45.655 45.655 42.832 2.823 18152 9530 1 14 . 1 1 82 82 LEU H H 82 8.684 8.684 8.734 -0.050 18152 9531 1 14 . 1 1 83 83 VAL N N 83 121.834 121.834 123.554 -1.720 18152 9532 1 14 . 1 1 83 83 VAL HA H 83 5.269 5.269 5.440 -0.171 18152 9533 1 14 . 1 1 83 83 VAL C C 83 174.766 174.766 175.230 -0.464 18152 9534 1 14 . 1 1 83 83 VAL CA C 83 61.157 61.157 61.006 0.151 18152 9535 1 14 . 1 1 83 83 VAL CB C 83 34.923 34.923 33.353 1.570 18152 9536 1 14 . 1 1 83 83 VAL H H 83 8.670 8.670 9.097 -0.427 18152 9537 1 14 . 1 1 84 84 LEU N N 84 129.811 129.811 128.824 0.987 18152 9538 1 14 . 1 1 84 84 LEU HA H 84 5.647 5.647 5.442 0.205 18152 9539 1 14 . 1 1 84 84 LEU C C 84 175.644 175.644 176.331 -0.687 18152 9540 1 14 . 1 1 84 84 LEU CA C 84 53.160 53.160 53.020 0.140 18152 9541 1 14 . 1 1 84 84 LEU CB C 84 46.815 46.815 44.378 2.437 18152 9542 1 14 . 1 1 84 84 LEU H H 84 10.025 10.025 9.393 0.632 18152 9543 1 14 . 1 1 85 85 GLU N N 85 125.273 125.273 123.324 1.949 18152 9544 1 14 . 1 1 85 85 GLU HA H 85 5.293 5.293 5.449 -0.156 18152 9545 1 14 . 1 1 85 85 GLU C C 85 175.910 175.910 175.621 0.289 18152 9546 1 14 . 1 1 85 85 GLU CA C 85 54.716 54.716 55.323 -0.607 18152 9547 1 14 . 1 1 85 85 GLU CB C 85 30.904 30.904 31.592 -0.688 18152 9548 1 14 . 1 1 85 85 GLU H H 85 9.117 9.117 8.949 0.168 18152 9549 1 14 . 1 1 86 86 TYR N N 86 125.299 125.299 126.358 -1.059 18152 9550 1 14 . 1 1 86 86 TYR HA H 86 4.825 4.825 4.767 0.058 18152 9551 1 14 . 1 1 86 86 TYR C C 86 174.077 174.077 174.488 -0.411 18152 9552 1 14 . 1 1 86 86 TYR CA C 86 57.516 57.516 57.681 -0.165 18152 9553 1 14 . 1 1 86 86 TYR CB C 86 41.720 41.720 43.099 -1.379 18152 9554 1 14 . 1 1 86 86 TYR H H 86 9.056 9.056 9.507 -0.451 18152 9555 1 14 . 1 1 87 87 ASP N N 87 131.006 131.006 128.111 2.895 18152 9556 1 14 . 1 1 87 87 ASP HA H 87 3.921 3.921 4.202 -0.281 18152 9557 1 14 . 1 1 87 87 ASP C C 87 171.773 171.773 175.455 -3.682 18152 9558 1 14 . 1 1 87 87 ASP CA C 87 54.613 54.613 55.187 -0.574 18152 9559 1 14 . 1 1 87 87 ASP CB C 87 39.659 39.659 40.366 -0.707 18152 9560 1 14 . 1 1 87 87 ASP H H 87 9.071 9.071 9.036 0.035 18152 9561 1 14 . 1 1 88 88 ASN N N 88 109.843 109.843 111.922 -2.079 18152 9562 1 14 . 1 1 88 88 ASN HA H 88 4.159 4.159 4.343 -0.184 18152 9563 1 14 . 1 1 88 88 ASN C C 88 173.995 173.995 174.172 -0.177 18152 9564 1 14 . 1 1 88 88 ASN CA C 88 54.528 54.528 54.982 -0.454 18152 9565 1 14 . 1 1 88 88 ASN CB C 88 37.383 37.383 37.918 -0.535 18152 9566 1 14 . 1 1 88 88 ASN H H 88 8.613 8.613 8.838 -0.225 18152 9567 1 14 . 1 1 89 89 LYS N N 89 119.021 119.021 118.138 0.883 18152 9568 1 14 . 1 1 89 89 LYS HA H 89 4.714 4.714 4.839 -0.125 18152 9569 1 14 . 1 1 89 89 LYS C C 89 174.644 174.644 175.358 -0.714 18152 9570 1 14 . 1 1 89 89 LYS CA C 89 55.133 55.133 55.376 -0.242 18152 9571 1 14 . 1 1 89 89 LYS CB C 89 36.460 36.460 37.010 -0.550 18152 9572 1 14 . 1 1 89 89 LYS H H 89 7.903 7.903 8.493 -0.590 18152 9573 1 14 . 1 1 90 90 THR N N 90 117.141 117.141 119.146 -2.005 18152 9574 1 14 . 1 1 90 90 THR HA H 90 4.819 4.819 5.380 -0.561 18152 9575 1 14 . 1 1 90 90 THR C C 90 172.823 172.823 173.965 -1.142 18152 9576 1 14 . 1 1 90 90 THR CA C 90 61.745 61.745 61.469 0.276 18152 9577 1 14 . 1 1 90 90 THR CB C 90 69.709 69.709 69.975 -0.266 18152 9578 1 14 . 1 1 90 90 THR H H 90 8.451 8.451 8.918 -0.467 18152 9579 1 14 . 1 1 91 91 TYR N N 91 127.333 127.333 127.060 0.273 18152 9580 1 14 . 1 1 91 91 TYR HA H 91 4.620 4.620 4.765 -0.145 18152 9581 1 14 . 1 1 91 91 TYR C C 91 174.313 174.313 175.688 -1.375 18152 9582 1 14 . 1 1 91 91 TYR CA C 91 56.764 56.764 56.930 -0.166 18152 9583 1 14 . 1 1 91 91 TYR CB C 91 41.054 41.054 40.530 0.524 18152 9584 1 14 . 1 1 91 91 TYR H H 91 9.552 9.552 9.920 -0.368 18152 9585 1 14 . 1 1 92 92 THR N N 92 117.709 117.709 120.023 -2.314 18152 9586 1 14 . 1 1 92 92 THR HA H 92 4.941 4.941 4.705 0.236 18152 9587 1 14 . 1 1 92 92 THR C C 92 172.464 172.464 173.482 -1.018 18152 9588 1 14 . 1 1 92 92 THR CA C 92 61.320 61.320 62.115 -0.795 18152 9589 1 14 . 1 1 92 92 THR CB C 92 69.546 69.546 68.901 0.645 18152 9590 1 14 . 1 1 92 92 THR H H 92 8.705 8.705 9.296 -0.592 18152 9591 1 14 . 1 1 93 93 TYR N N 93 122.946 122.946 126.528 -3.582 18152 9592 1 14 . 1 1 93 93 TYR HA H 93 5.431 5.431 5.416 0.015 18152 9593 1 14 . 1 1 93 93 TYR C C 93 174.846 174.846 175.215 -0.369 18152 9594 1 14 . 1 1 93 93 TYR CA C 93 55.804 55.804 56.784 -0.980 18152 9595 1 14 . 1 1 93 93 TYR CB C 93 42.627 42.627 42.480 0.147 18152 9596 1 14 . 1 1 93 93 TYR H H 93 9.381 9.381 9.576 -0.195 18152 9597 1 14 . 1 1 94 94 GLU N N 94 121.240 121.240 121.283 -0.043 18152 9598 1 14 . 1 1 94 94 GLU HA H 94 4.901 4.901 5.056 -0.155 18152 9599 1 14 . 1 1 94 94 GLU C C 94 177.060 177.060 175.675 1.385 18152 9600 1 14 . 1 1 94 94 GLU CA C 94 54.073 54.073 53.845 0.228 18152 9601 1 14 . 1 1 94 94 GLU CB C 94 33.787 33.787 34.162 -0.375 18152 9602 1 14 . 1 1 94 94 GLU H H 94 9.100 9.100 9.346 -0.246 18152 9603 1 14 . 1 1 95 95 ILE N N 95 128.525 128.525 127.027 1.498 18152 9604 1 14 . 1 1 95 95 ILE HA H 95 3.737 3.737 4.143 -0.406 18152 9605 1 14 . 1 1 95 95 ILE C C 95 176.261 176.261 176.763 -0.502 18152 9606 1 14 . 1 1 95 95 ILE CA C 95 64.664 64.664 62.608 2.056 18152 9607 1 14 . 1 1 95 95 ILE CB C 95 37.472 37.472 36.222 1.250 18152 9608 1 14 . 1 1 95 95 ILE H H 95 9.293 9.293 8.463 0.830 18152 9609 1 14 . 1 1 96 96 GLN N N 96 127.221 127.221 129.040 -1.819 18152 9610 1 14 . 1 1 96 96 GLN HA H 96 4.831 4.831 4.350 0.481 18152 9611 1 14 . 1 1 96 96 GLN C C 96 174.674 174.674 176.184 -1.510 18152 9612 1 14 . 1 1 96 96 GLN CA C 96 54.632 54.632 57.846 -3.214 18152 9613 1 14 . 1 1 96 96 GLN CB C 96 31.165 31.165 29.950 1.215 18152 9614 1 14 . 1 1 96 96 GLN H H 96 10.106 10.106 8.762 1.344 18152 9615 1 14 . 1 1 97 97 LYS N N 97 120.717 120.717 118.069 2.648 18152 9616 1 14 . 1 1 97 97 LYS HA H 97 4.658 4.658 4.663 -0.005 18152 9617 1 14 . 1 1 97 97 LYS C C 97 173.200 173.200 174.067 -0.867 18152 9618 1 14 . 1 1 97 97 LYS CA C 97 56.528 56.528 55.981 0.547 18152 9619 1 14 . 1 1 97 97 LYS CB C 97 36.462 36.462 35.587 0.875 18152 9620 1 14 . 1 1 97 97 LYS H H 97 7.958 7.958 7.597 0.361 18152 9621 1 14 . 1 1 98 98 ILE N N 98 125.089 125.089 123.201 1.888 18152 9622 1 14 . 1 1 98 98 ILE HA H 98 5.221 5.221 4.750 0.471 18152 9623 1 14 . 1 1 98 98 ILE C C 98 175.821 175.821 176.017 -0.196 18152 9624 1 14 . 1 1 98 98 ILE CA C 98 60.078 60.078 60.071 0.007 18152 9625 1 14 . 1 1 98 98 ILE CB C 98 42.082 42.082 40.206 1.876 18152 9626 1 14 . 1 1 98 98 ILE H H 98 8.458 8.458 8.547 -0.089 18152 9627 1 14 . 1 1 99 99 TRP N N 99 129.003 129.003 127.338 1.665 18152 9628 1 14 . 1 1 99 99 TRP HA H 99 4.661 4.661 4.984 -0.323 18152 9629 1 14 . 1 1 99 99 TRP C C 99 170.353 170.353 172.948 -2.595 18152 9630 1 14 . 1 1 99 99 TRP CA C 99 56.388 56.388 55.834 0.554 18152 9631 1 14 . 1 1 99 99 TRP CB C 99 31.158 31.158 30.533 0.625 18152 9632 1 14 . 1 1 99 99 TRP H H 99 9.291 9.291 7.973 1.317 18152 9633 1 14 . 1 1 100 100 ILE N N 100 117.739 117.739 119.982 -2.243 18152 9634 1 14 . 1 1 100 100 ILE HA H 100 4.616 4.616 4.783 -0.167 18152 9635 1 14 . 1 1 100 100 ILE C C 100 176.258 176.258 175.323 0.935 18152 9636 1 14 . 1 1 100 100 ILE CA C 100 58.973 58.973 60.251 -1.278 18152 9637 1 14 . 1 1 100 100 ILE CB C 100 40.734 40.734 41.371 -0.637 18152 9638 1 14 . 1 1 100 100 ILE H H 100 7.778 7.778 8.408 -0.630 18152 9639 1 14 . 1 1 101 101 THR N N 101 120.676 120.676 119.738 0.938 18152 9640 1 14 . 1 1 101 101 THR HA H 101 4.755 4.755 4.779 -0.024 18152 9641 1 14 . 1 1 101 101 THR C C 101 172.069 172.069 172.690 -0.621 18152 9642 1 14 . 1 1 101 101 THR CA C 101 57.557 57.557 59.385 -1.828 18152 9643 1 14 . 1 1 101 101 THR CB C 101 70.656 70.656 70.949 -0.293 18152 9644 1 14 . 1 1 101 101 THR H H 101 8.587 8.587 8.718 -0.131 18152 9645 1 14 . 1 1 102 102 HIS N N 102 119.885 119.885 119.852 0.033 18152 9646 1 14 . 1 1 102 102 HIS HA H 102 5.401 5.401 5.043 0.358 18152 9647 1 14 . 1 1 102 102 HIS C C 102 176.781 176.781 177.002 -0.221 18152 9648 1 14 . 1 1 102 102 HIS CA C 102 54.482 54.482 57.350 -2.868 18152 9649 1 14 . 1 1 102 102 HIS CB C 102 31.240 31.240 31.582 -0.342 18152 9650 1 14 . 1 1 102 102 HIS H H 102 8.194 8.194 8.721 -0.527 18152 9651 1 14 . 1 1 103 103 ALA N N 103 121.632 121.632 128.387 -6.755 18152 9652 1 14 . 1 1 103 103 ALA HA H 103 3.710 3.710 4.139 -0.429 18152 9653 1 14 . 1 1 103 103 ALA C C 103 177.587 177.587 178.118 -0.531 18152 9654 1 14 . 1 1 103 103 ALA CA C 103 54.899 54.899 54.586 0.313 18152 9655 1 14 . 1 1 103 103 ALA CB C 103 17.981 17.981 19.087 -1.105 18152 9656 1 14 . 1 1 103 103 ALA H H 103 8.405 8.405 8.399 0.006 18152 9657 1 14 . 1 1 104 104 ASP N N 104 114.513 114.513 116.131 -1.618 18152 9658 1 14 . 1 1 104 104 ASP HA H 104 4.603 4.603 4.734 -0.131 18152 9659 1 14 . 1 1 104 104 ASP C C 104 175.283 175.283 175.530 -0.247 18152 9660 1 14 . 1 1 104 104 ASP CA C 104 53.070 53.070 54.377 -1.307 18152 9661 1 14 . 1 1 104 104 ASP CB C 104 40.034 40.034 40.649 -0.615 18152 9662 1 14 . 1 1 104 104 ASP H H 104 8.314 8.314 7.999 0.315 18152 9663 1 14 . 1 1 105 105 ASP N N 105 119.184 119.184 121.093 -1.909 18152 9664 1 14 . 1 1 105 105 ASP HA H 105 4.170 4.170 4.712 -0.542 18152 9665 1 14 . 1 1 105 105 ASP C C 105 177.674 177.674 177.029 0.645 18152 9666 1 14 . 1 1 105 105 ASP CA C 105 54.268 54.268 53.336 0.932 18152 9667 1 14 . 1 1 105 105 ASP CB C 105 39.846 39.846 40.854 -1.008 18152 9668 1 14 . 1 1 105 105 ASP H H 105 7.043 7.043 7.803 -0.760 18152 9669 1 14 . 1 1 106 106 ARG N N 106 127.998 127.998 127.004 0.994 18152 9670 1 14 . 1 1 106 106 ARG HA H 106 4.368 4.368 4.102 0.266 18152 9671 1 14 . 1 1 106 106 ARG C C 106 177.709 177.709 177.773 -0.064 18152 9672 1 14 . 1 1 106 106 ARG CA C 106 55.888 55.888 58.369 -2.481 18152 9673 1 14 . 1 1 106 106 ARG CB C 106 29.264 29.264 29.226 0.038 18152 9674 1 14 . 1 1 106 106 ARG H H 106 8.921 8.921 8.053 0.868 18152 9675 1 14 . 1 1 107 107 THR N N 107 111.880 111.880 111.911 -0.031 18152 9676 1 14 . 1 1 107 107 THR HA H 107 4.139 4.139 4.061 0.078 18152 9677 1 14 . 1 1 107 107 THR C C 107 173.548 173.548 175.453 -1.905 18152 9678 1 14 . 1 1 107 107 THR CA C 107 62.350 62.350 64.904 -2.554 18152 9679 1 14 . 1 1 107 107 THR CB C 107 68.935 68.935 68.364 0.571 18152 9680 1 14 . 1 1 107 107 THR H H 107 8.857 8.857 8.067 0.790 18152 9681 1 14 . 1 1 108 108 VAL N N 108 118.971 118.971 117.385 1.586 18152 9682 1 14 . 1 1 108 108 VAL HA H 108 3.942 3.942 4.329 -0.387 18152 9683 1 14 . 1 1 108 108 VAL C C 108 176.853 176.853 175.371 1.482 18152 9684 1 14 . 1 1 108 108 VAL CA C 108 63.878 63.878 63.227 0.651 18152 9685 1 14 . 1 1 108 108 VAL CB C 108 32.470 32.470 33.092 -0.622 18152 9686 1 14 . 1 1 108 108 VAL H H 108 6.811 6.811 7.419 -0.608 18152 9687 1 14 . 1 1 109 109 ILE N N 109 120.334 120.334 118.754 1.580 18152 9688 1 14 . 1 1 109 109 ILE HA H 109 3.438 3.438 4.046 -0.608 18152 9689 1 14 . 1 1 109 109 ILE C C 109 173.191 173.191 176.674 -3.483 18152 9690 1 14 . 1 1 109 109 ILE CA C 109 60.963 60.963 60.087 0.876 18152 9691 1 14 . 1 1 109 109 ILE CB C 109 33.933 33.933 37.191 -3.257 18152 9692 1 14 . 1 1 109 109 ILE H H 109 8.053 8.053 8.233 -0.180 18152 9693 1 14 . 1 1 110 110 ILE N N 110 118.981 118.981 119.518 -0.537 18152 9694 1 14 . 1 1 110 110 ILE HA H 110 4.542 4.542 4.397 0.145 18152 9695 1 14 . 1 1 110 110 ILE C C 110 174.405 174.405 174.622 -0.217 18152 9696 1 14 . 1 1 110 110 ILE CA C 110 57.932 57.932 59.334 -1.402 18152 9697 1 14 . 1 1 110 110 ILE CB C 110 42.146 42.146 38.075 4.072 18152 9698 1 14 . 1 1 110 110 ILE H H 110 6.877 6.877 7.676 -0.799 18152 9699 1 14 . 1 1 111 111 LYS N N 111 123.307 123.307 119.041 4.266 18152 9700 1 14 . 1 1 111 111 LYS HA H 111 4.609 4.609 4.876 -0.267 18152 9701 1 14 . 1 1 111 111 LYS C C 111 176.528 176.528 176.043 0.485 18152 9702 1 14 . 1 1 111 111 LYS CA C 111 56.695 56.695 55.499 1.196 18152 9703 1 14 . 1 1 111 111 LYS CB C 111 33.092 33.092 34.265 -1.173 18152 9704 1 14 . 1 1 111 111 LYS H H 111 8.492 8.492 8.153 0.339 18152 9705 1 14 . 1 1 112 112 LYS N N 112 121.425 121.425 121.919 -0.494 18152 9706 1 14 . 1 1 112 112 LYS HA H 112 4.706 4.706 4.478 0.228 18152 9707 1 14 . 1 1 112 112 LYS C C 112 175.996 175.996 175.663 0.333 18152 9708 1 14 . 1 1 112 112 LYS CA C 112 53.271 53.271 54.238 -0.967 18152 9709 1 14 . 1 1 112 112 LYS CB C 112 36.089 36.089 33.616 2.473 18152 9710 1 14 . 1 1 112 112 LYS H H 112 8.351 8.351 8.694 -0.343 18152 9711 1 14 . 1 1 113 113 GLU N N 113 119.533 119.533 119.911 -0.378 18152 9712 1 14 . 1 1 113 113 GLU HA H 113 4.372 4.372 4.475 -0.103 18152 9713 1 14 . 1 1 113 113 GLU C C 113 174.477 174.477 175.267 -0.790 18152 9714 1 14 . 1 1 113 113 GLU CA C 113 55.175 55.175 56.090 -0.915 18152 9715 1 14 . 1 1 113 113 GLU CB C 113 29.097 29.097 30.373 -1.276 18152 9716 1 14 . 1 1 113 113 GLU H H 113 8.815 8.815 8.778 0.037 18152 9717 1 14 . 1 1 114 114 GLU N N 114 117.843 117.843 117.537 0.306 18152 9718 1 14 . 1 1 114 114 GLU HA H 114 4.701 4.701 4.737 -0.036 18152 9719 1 14 . 1 1 114 114 GLU C C 114 172.378 172.378 173.896 -1.518 18152 9720 1 14 . 1 1 114 114 GLU CA C 114 52.633 52.633 53.834 -1.201 18152 9721 1 14 . 1 1 114 114 GLU CB C 114 30.487 30.487 30.055 0.432 18152 9722 1 14 . 1 1 114 114 GLU H H 114 7.426 7.426 7.776 -0.350 18152 9723 1 14 . 1 1 115 115 PRO HA H 115 4.725 4.725 4.816 -0.091 18152 9724 1 14 . 1 1 115 115 PRO CA C 115 62.352 62.352 63.132 -0.780 18152 9725 1 14 . 1 1 115 115 PRO CB C 115 30.706 30.706 31.092 -0.386 18152 9726 1 14 . 1 1 116 116 ILE N N 116 130.464 130.464 123.504 6.960 18152 9727 1 14 . 1 1 116 116 ILE HA H 116 4.785 4.785 4.875 -0.090 18152 9728 1 14 . 1 1 116 116 ILE C C 116 172.992 172.992 174.523 -1.531 18152 9729 1 14 . 1 1 116 116 ILE CA C 116 56.976 56.976 58.465 -1.488 18152 9730 1 14 . 1 1 116 116 ILE CB C 116 41.420 41.420 41.373 0.046 18152 9731 1 14 . 1 1 116 116 ILE H H 116 7.830 7.830 8.089 -0.259 18152 9732 1 14 . 1 1 117 117 LEU N N 117 128.504 128.504 129.296 -0.792 18152 9733 1 14 . 1 1 117 117 LEU HA H 117 5.307 5.307 5.236 0.071 18152 9734 1 14 . 1 1 117 117 LEU C C 117 174.488 174.488 175.149 -0.661 18152 9735 1 14 . 1 1 117 117 LEU CA C 117 52.062 52.062 53.276 -1.214 18152 9736 1 14 . 1 1 117 117 LEU CB C 117 45.447 45.447 44.734 0.713 18152 9737 1 14 . 1 1 117 117 LEU H H 117 8.838 8.838 9.014 -0.176 18152 9738 1 14 . 1 1 118 118 THR N N 118 125.436 125.436 123.132 2.304 18152 9739 1 14 . 1 1 118 118 THR HA H 118 5.417 5.417 5.157 0.260 18152 9740 1 14 . 1 1 118 118 THR C C 118 173.169 173.169 172.624 0.545 18152 9741 1 14 . 1 1 118 118 THR CA C 118 60.596 60.596 61.580 -0.984 18152 9742 1 14 . 1 1 118 118 THR CB C 118 68.558 68.558 71.064 -2.506 18152 9743 1 14 . 1 1 118 118 THR H H 118 8.938 8.938 9.135 -0.197 18152 9744 1 14 . 1 1 119 119 LEU N N 119 128.310 128.310 129.481 -1.171 18152 9745 1 14 . 1 1 119 119 LEU HA H 119 5.103 5.103 4.968 0.135 18152 9746 1 14 . 1 1 119 119 LEU C C 119 174.404 174.404 175.036 -0.632 18152 9747 1 14 . 1 1 119 119 LEU CA C 119 52.439 52.439 53.199 -0.760 18152 9748 1 14 . 1 1 119 119 LEU CB C 119 44.373 44.373 45.086 -0.713 18152 9749 1 14 . 1 1 119 119 LEU H H 119 9.280 9.280 8.580 0.700 18152 9750 1 14 . 1 1 120 120 THR N N 120 117.635 117.635 121.501 -3.866 18152 9751 1 14 . 1 1 120 120 THR HA H 120 5.590 5.590 5.643 -0.053 18152 9752 1 14 . 1 1 120 120 THR C C 120 172.735 172.735 174.140 -1.405 18152 9753 1 14 . 1 1 120 120 THR CA C 120 57.360 57.360 60.172 -2.812 18152 9754 1 14 . 1 1 120 120 THR CB C 120 70.136 70.136 69.734 0.402 18152 9755 1 14 . 1 1 120 120 THR H H 120 8.640 8.640 9.319 -0.679 18152 9756 1 14 . 1 1 121 121 THR N N 121 116.149 116.149 122.910 -6.761 18152 9757 1 14 . 1 1 121 121 THR HA H 121 4.766 4.766 5.538 -0.772 18152 9758 1 14 . 1 1 121 121 THR C C 121 174.145 174.145 173.533 0.612 18152 9759 1 14 . 1 1 121 121 THR CA C 121 59.550 59.550 60.254 -0.704 18152 9760 1 14 . 1 1 121 121 THR CB C 121 71.701 71.701 71.475 0.225 18152 9761 1 14 . 1 1 121 121 THR H H 121 8.374 8.374 8.458 -0.084 18152 9762 1 14 . 1 1 123 123 TYR N N 123 121.847 121.847 120.682 1.165 18152 9763 1 14 . 1 1 123 123 TYR H H 123 7.461 7.461 8.207 -0.746 18152 9764 1 14 . 1 1 125 125 PHE N N 125 120.754 120.754 115.887 4.867 18152 9765 1 14 . 1 1 125 125 PHE HA H 125 4.420 4.420 4.313 0.107 18152 9766 1 14 . 1 1 125 125 PHE C C 125 176.083 176.083 176.231 -0.148 18152 9767 1 14 . 1 1 125 125 PHE CA C 125 58.918 58.918 60.248 -1.330 18152 9768 1 14 . 1 1 125 125 PHE CB C 125 38.624 38.624 38.006 0.618 18152 9769 1 14 . 1 1 125 125 PHE H H 125 7.334 7.334 8.483 -1.149 18152 9770 1 14 . 1 1 126 126 ASP N N 126 114.938 114.938 117.611 -2.673 18152 9771 1 14 . 1 1 126 126 ASP HA H 126 4.548 4.548 4.350 0.198 18152 9772 1 14 . 1 1 126 126 ASP C C 126 175.285 175.285 176.673 -1.388 18152 9773 1 14 . 1 1 126 126 ASP CA C 126 51.974 51.974 52.411 -0.437 18152 9774 1 14 . 1 1 126 126 ASP CB C 126 39.454 39.454 39.007 0.447 18152 9775 1 14 . 1 1 126 126 ASP H H 126 8.179 8.179 7.366 0.813 18152 9776 1 14 . 1 1 127 127 TYR N N 127 121.170 121.170 120.888 0.282 18152 9777 1 14 . 1 1 127 127 TYR HA H 127 3.947 3.947 4.039 -0.092 18152 9778 1 14 . 1 1 127 127 TYR C C 127 175.022 175.022 175.298 -0.276 18152 9779 1 14 . 1 1 127 127 TYR CA C 127 58.734 58.734 59.770 -1.036 18152 9780 1 14 . 1 1 127 127 TYR CB C 127 39.330 39.330 38.755 0.575 18152 9781 1 14 . 1 1 127 127 TYR H H 127 7.196 7.196 7.363 -0.167 18152 9782 1 14 . 1 1 128 128 ILE N N 128 127.293 127.293 118.510 8.783 18152 9783 1 14 . 1 1 128 128 ILE HA H 128 4.081 4.081 3.333 0.748 18152 9784 1 14 . 1 1 128 128 ILE C C 128 174.579 174.579 176.045 -1.466 18152 9785 1 14 . 1 1 128 128 ILE CA C 128 60.165 60.165 62.402 -2.237 18152 9786 1 14 . 1 1 128 128 ILE CB C 128 37.120 37.120 36.582 0.538 18152 9787 1 14 . 1 1 128 128 ILE H H 128 7.634 7.634 7.975 -0.341 18152 9788 1 14 . 1 1 129 129 GLY N N 129 114.862 114.862 115.105 -0.243 18152 9789 1 14 . 1 1 129 129 GLY C C 129 172.992 172.992 173.018 -0.026 18152 9790 1 14 . 1 1 129 129 GLY CA C 129 43.458 43.458 44.595 -1.137 18152 9791 1 14 . 1 1 129 129 GLY H H 129 8.150 8.150 7.577 0.573 18152 9792 1 14 . 1 1 130 130 ASP N N 130 122.165 122.165 122.655 -0.490 18152 9793 1 14 . 1 1 130 130 ASP HA H 130 4.639 4.639 4.785 -0.146 18152 9794 1 14 . 1 1 130 130 ASP C C 130 174.579 174.579 174.662 -0.083 18152 9795 1 14 . 1 1 130 130 ASP CA C 130 53.344 53.344 52.197 1.147 18152 9796 1 14 . 1 1 130 130 ASP CB C 130 39.979 39.979 42.181 -2.202 18152 9797 1 14 . 1 1 130 130 ASP H H 130 8.541 8.541 7.864 0.677 18152 9798 1 14 . 1 1 131 131 ALA N N 131 129.087 129.087 125.670 3.417 18152 9799 1 14 . 1 1 131 131 ALA HA H 131 3.673 3.673 4.066 -0.393 18152 9800 1 14 . 1 1 131 131 ALA C C 131 176.791 176.791 176.847 -0.056 18152 9801 1 14 . 1 1 131 131 ALA CA C 131 50.186 50.186 51.769 -1.583 18152 9802 1 14 . 1 1 131 131 ALA CB C 131 17.692 17.692 17.978 -0.286 18152 9803 1 14 . 1 1 131 131 ALA H H 131 8.280 8.280 8.527 -0.247 18152 9804 1 14 . 1 1 133 133 ASP N N 133 117.477 117.477 114.893 2.584 18152 9805 1 14 . 1 1 133 133 ASP HA H 133 5.512 5.512 5.069 0.443 18152 9806 1 14 . 1 1 133 133 ASP C C 133 175.988 175.988 175.405 0.583 18152 9807 1 14 . 1 1 133 133 ASP CA C 133 53.067 53.067 53.004 0.063 18152 9808 1 14 . 1 1 133 133 ASP CB C 133 45.102 45.102 42.991 2.111 18152 9809 1 14 . 1 1 133 133 ASP H H 133 7.355 7.355 7.754 -0.399 18152 9810 1 14 . 1 1 134 134 ARG N N 134 120.986 120.986 122.405 -1.419 18152 9811 1 14 . 1 1 134 134 ARG HA H 134 4.871 4.871 4.809 0.062 18152 9812 1 14 . 1 1 134 134 ARG C C 134 172.288 172.288 175.172 -2.884 18152 9813 1 14 . 1 1 134 134 ARG CA C 134 53.958 53.958 54.223 -0.265 18152 9814 1 14 . 1 1 134 134 ARG CB C 134 33.787 33.787 33.068 0.719 18152 9815 1 14 . 1 1 134 134 ARG H H 134 9.308 9.308 9.107 0.201 18152 9816 1 14 . 1 1 135 135 TYR N N 135 127.342 127.342 125.286 2.056 18152 9817 1 14 . 1 1 135 135 TYR HA H 135 4.037 4.037 4.400 -0.363 18152 9818 1 14 . 1 1 135 135 TYR C C 135 173.811 173.811 174.286 -0.475 18152 9819 1 14 . 1 1 135 135 TYR CA C 135 57.419 57.419 59.130 -1.711 18152 9820 1 14 . 1 1 135 135 TYR CB C 135 40.515 40.515 39.611 0.904 18152 9821 1 14 . 1 1 135 135 TYR H H 135 8.867 8.867 9.109 -0.242 18152 9822 1 14 . 1 1 136 136 ILE N N 136 128.458 128.458 127.421 1.037 18152 9823 1 14 . 1 1 136 136 ILE HA H 136 4.133 4.133 4.725 -0.592 18152 9824 1 14 . 1 1 136 136 ILE C C 136 173.610 173.610 174.212 -0.602 18152 9825 1 14 . 1 1 136 136 ILE CA C 136 58.968 58.968 58.225 0.743 18152 9826 1 14 . 1 1 136 136 ILE CB C 136 40.998 40.998 37.798 3.200 18152 9827 1 14 . 1 1 136 136 ILE H H 136 8.569 8.569 8.323 0.246 18152 9828 1 14 . 1 1 137 137 ILE N N 137 123.623 123.623 127.641 -4.018 18152 9829 1 14 . 1 1 137 137 ILE HA H 137 4.330 4.330 4.149 0.181 18152 9830 1 14 . 1 1 137 137 ILE C C 137 173.524 173.524 174.699 -1.175 18152 9831 1 14 . 1 1 137 137 ILE CA C 137 59.873 59.873 58.852 1.022 18152 9832 1 14 . 1 1 137 137 ILE CB C 137 40.767 40.767 36.936 3.831 18152 9833 1 14 . 1 1 137 137 ILE H H 137 8.263 8.263 8.553 -0.290 18152 9834 1 14 . 1 1 138 138 GLU N N 138 127.009 127.009 129.091 -2.082 18152 9835 1 14 . 1 1 138 138 GLU HA H 138 5.219 5.219 4.798 0.421 18152 9836 1 14 . 1 1 138 138 GLU C C 138 175.383 175.383 174.728 0.655 18152 9837 1 14 . 1 1 138 138 GLU CA C 138 54.895 54.895 55.079 -0.184 18152 9838 1 14 . 1 1 138 138 GLU CB C 138 33.904 33.904 32.344 1.560 18152 9839 1 14 . 1 1 138 138 GLU H H 138 9.166 9.166 7.966 1.200 18152 9840 1 14 . 1 1 139 139 ALA N N 139 132.785 132.785 128.277 4.508 18152 9841 1 14 . 1 1 139 139 ALA HA H 139 5.231 5.231 5.367 -0.136 18152 9842 1 14 . 1 1 139 139 ALA C C 139 173.789 173.789 175.032 -1.243 18152 9843 1 14 . 1 1 139 139 ALA CA C 139 50.197 50.197 50.827 -0.630 18152 9844 1 14 . 1 1 139 139 ALA CB C 139 24.262 24.262 23.485 0.777 18152 9845 1 14 . 1 1 139 139 ALA H H 139 10.313 10.313 8.755 1.558 18152 9846 1 14 . 1 1 140 140 LYS N N 140 120.672 120.672 122.534 -1.862 18152 9847 1 14 . 1 1 140 140 LYS HA H 140 5.062 5.062 5.156 -0.094 18152 9848 1 14 . 1 1 140 140 LYS C C 140 175.807 175.807 175.058 0.749 18152 9849 1 14 . 1 1 140 140 LYS CA C 140 54.250 54.250 54.081 0.169 18152 9850 1 14 . 1 1 140 140 LYS CB C 140 34.937 34.937 36.993 -2.057 18152 9851 1 14 . 1 1 140 140 LYS H H 140 8.507 8.507 8.656 -0.149 18152 9852 1 14 . 1 1 141 141 LEU N N 141 126.557 126.557 127.541 -0.984 18152 9853 1 14 . 1 1 141 141 LEU HA H 141 4.107 4.107 4.251 -0.144 18152 9854 1 14 . 1 1 141 141 LEU C C 141 177.236 177.236 176.781 0.455 18152 9855 1 14 . 1 1 141 141 LEU CA C 141 56.169 56.169 55.344 0.825 18152 9856 1 14 . 1 1 141 141 LEU CB C 141 42.408 42.408 42.524 -0.116 18152 9857 1 14 . 1 1 141 141 LEU H H 141 7.560 7.560 8.407 -0.847 18152 9858 1 14 . 1 1 142 142 THR N N 142 119.454 119.454 121.128 -1.674 18152 9859 1 14 . 1 1 142 142 THR HA H 142 4.522 4.522 4.481 0.041 18152 9860 1 14 . 1 1 142 142 THR C C 142 175.187 175.187 174.854 0.333 18152 9861 1 14 . 1 1 142 142 THR CA C 142 60.915 60.915 61.919 -1.004 18152 9862 1 14 . 1 1 142 142 THR CB C 142 69.490 69.490 71.069 -1.579 18152 9863 1 14 . 1 1 142 142 THR H H 142 9.562 9.562 8.889 0.673 18152 9864 1 14 . 1 1 143 143 GLY N N 143 109.946 109.946 109.166 0.780 18152 9865 1 14 . 1 1 143 143 GLY C C 143 170.713 170.713 171.781 -1.068 18152 9866 1 14 . 1 1 143 143 GLY CA C 143 45.254 45.254 44.276 0.978 18152 9867 1 14 . 1 1 143 143 GLY H H 143 7.513 7.513 7.574 -0.061 18152 9868 1 14 . 1 1 144 144 SER N N 144 112.778 112.778 114.802 -2.024 18152 9869 1 14 . 1 1 144 144 SER HA H 144 5.059 5.059 5.092 -0.033 18152 9870 1 14 . 1 1 144 144 SER C C 144 173.178 173.178 172.416 0.762 18152 9871 1 14 . 1 1 144 144 SER CA C 144 56.393 56.393 56.724 -0.331 18152 9872 1 14 . 1 1 144 144 SER CB C 144 65.587 65.587 66.504 -0.917 18152 9873 1 14 . 1 1 144 144 SER H H 144 7.877 7.877 7.897 -0.020 18152 9874 1 14 . 1 1 145 145 TYR N N 145 119.351 119.351 120.263 -0.912 18152 9875 1 14 . 1 1 145 145 TYR HA H 145 4.755 4.755 4.755 -0.000 18152 9876 1 14 . 1 1 145 145 TYR C C 145 174.580 174.580 174.633 -0.053 18152 9877 1 14 . 1 1 145 145 TYR CA C 145 56.413 56.413 56.788 -0.375 18152 9878 1 14 . 1 1 145 145 TYR CB C 145 40.096 40.096 43.092 -2.996 18152 9879 1 14 . 1 1 145 145 TYR H H 145 8.374 8.374 9.058 -0.684 18152 9880 1 14 . 1 1 146 146 SER N N 146 117.533 117.533 115.436 2.097 18152 9881 1 14 . 1 1 146 146 SER HA H 146 4.564 4.564 4.724 -0.160 18152 9882 1 14 . 1 1 146 146 SER CA C 146 58.000 58.000 56.837 1.163 18152 9883 1 14 . 1 1 146 146 SER CB C 146 63.905 63.905 65.506 -1.601 18152 9884 1 14 . 1 1 146 146 SER H H 146 8.502 8.502 8.422 0.080 18152 9885 1 15 . 1 1 7 7 GLN N N 7 122.485 122.485 123.176 -0.691 18152 9886 1 15 . 1 1 7 7 GLN CA C 7 55.218 55.218 57.518 -2.300 18152 9887 1 15 . 1 1 7 7 GLN CB C 7 28.842 28.842 29.223 -0.381 18152 9888 1 15 . 1 1 7 7 GLN H H 7 8.175 8.175 8.574 -0.399 18152 9889 1 15 . 1 1 8 8 THR N N 8 115.244 115.244 111.418 3.826 18152 9890 1 15 . 1 1 8 8 THR HA H 8 4.189 4.189 4.527 -0.338 18152 9891 1 15 . 1 1 8 8 THR C C 8 173.961 173.961 172.939 1.022 18152 9892 1 15 . 1 1 8 8 THR CA C 8 61.486 61.486 61.668 -0.182 18152 9893 1 15 . 1 1 8 8 THR CB C 8 69.316 69.316 71.053 -1.737 18152 9894 1 15 . 1 1 8 8 THR H H 8 8.027 8.027 8.128 -0.101 18152 9895 1 15 . 1 1 9 9 GLU N N 9 123.496 123.496 120.937 2.559 18152 9896 1 15 . 1 1 9 9 GLU HA H 9 4.060 4.060 4.472 -0.412 18152 9897 1 15 . 1 1 9 9 GLU C C 9 175.555 175.555 175.450 0.105 18152 9898 1 15 . 1 1 9 9 GLU CA C 9 55.868 55.868 56.081 -0.213 18152 9899 1 15 . 1 1 9 9 GLU CB C 9 29.611 29.611 31.695 -2.084 18152 9900 1 15 . 1 1 9 9 GLU H H 9 8.225 8.225 8.506 -0.281 18152 9901 1 15 . 1 1 10 10 HIS N N 10 119.084 119.084 116.319 2.765 18152 9902 1 15 . 1 1 10 10 HIS HA H 10 4.384 4.384 3.883 0.501 18152 9903 1 15 . 1 1 10 10 HIS C C 10 173.742 173.742 173.941 -0.199 18152 9904 1 15 . 1 1 10 10 HIS CA C 10 53.932 53.932 57.413 -3.481 18152 9905 1 15 . 1 1 10 10 HIS CB C 10 28.922 28.922 29.497 -0.575 18152 9906 1 15 . 1 1 10 10 HIS H H 10 7.357 7.357 8.426 -1.069 18152 9907 1 15 . 1 1 11 11 LYS N N 11 121.509 121.509 120.606 0.903 18152 9908 1 15 . 1 1 11 11 LYS HA H 11 4.469 4.469 4.459 0.010 18152 9909 1 15 . 1 1 11 11 LYS C C 11 176.210 176.210 176.662 -0.452 18152 9910 1 15 . 1 1 11 11 LYS CA C 11 54.245 54.245 56.520 -2.275 18152 9911 1 15 . 1 1 11 11 LYS CB C 11 33.548 33.548 32.513 1.035 18152 9912 1 15 . 1 1 11 11 LYS H H 11 8.409 8.409 8.011 0.398 18152 9913 1 15 . 1 1 12 12 GLU N N 12 123.025 123.025 124.422 -1.397 18152 9914 1 15 . 1 1 12 12 GLU HA H 12 4.240 4.240 4.199 0.041 18152 9915 1 15 . 1 1 12 12 GLU C C 12 178.023 178.023 176.943 1.080 18152 9916 1 15 . 1 1 12 12 GLU CA C 12 58.350 58.350 57.936 0.414 18152 9917 1 15 . 1 1 12 12 GLU CB C 12 29.254 29.254 29.380 -0.126 18152 9918 1 15 . 1 1 12 12 GLU H H 12 8.929 8.929 8.990 -0.061 18152 9919 1 15 . 1 1 13 13 GLY N N 13 113.216 113.216 113.510 -0.294 18152 9920 1 15 . 1 1 13 13 GLY C C 13 174.141 174.141 174.671 -0.530 18152 9921 1 15 . 1 1 13 13 GLY CA C 13 45.243 45.243 44.930 0.313 18152 9922 1 15 . 1 1 13 13 GLY H H 13 9.714 9.714 9.394 0.320 18152 9923 1 15 . 1 1 14 14 GLU N N 14 120.782 120.782 122.382 -1.600 18152 9924 1 15 . 1 1 14 14 GLU HA H 14 4.472 4.472 4.733 -0.261 18152 9925 1 15 . 1 1 14 14 GLU C C 14 176.436 176.436 175.936 0.500 18152 9926 1 15 . 1 1 14 14 GLU CA C 14 55.641 55.641 54.446 1.195 18152 9927 1 15 . 1 1 14 14 GLU CB C 14 30.989 30.989 31.162 -0.173 18152 9928 1 15 . 1 1 14 14 GLU H H 14 8.289 8.289 7.987 0.302 18152 9929 1 15 . 1 1 15 15 LYS N N 15 125.126 125.126 126.667 -1.541 18152 9930 1 15 . 1 1 15 15 LYS HA H 15 4.100 4.100 3.824 0.276 18152 9931 1 15 . 1 1 15 15 LYS C C 15 176.970 176.970 176.689 0.281 18152 9932 1 15 . 1 1 15 15 LYS CA C 15 57.098 57.098 57.817 -0.719 18152 9933 1 15 . 1 1 15 15 LYS CB C 15 31.680 31.680 32.054 -0.374 18152 9934 1 15 . 1 1 15 15 LYS H H 15 8.978 8.978 9.102 -0.124 18152 9935 1 15 . 1 1 16 16 VAL N N 16 119.214 119.214 121.140 -1.926 18152 9936 1 15 . 1 1 16 16 VAL HA H 16 4.572 4.572 4.319 0.253 18152 9937 1 15 . 1 1 16 16 VAL C C 16 174.148 174.148 174.515 -0.367 18152 9938 1 15 . 1 1 16 16 VAL CA C 16 60.141 60.141 61.851 -1.710 18152 9939 1 15 . 1 1 16 16 VAL CB C 16 34.881 34.881 33.799 1.082 18152 9940 1 15 . 1 1 16 16 VAL H H 16 8.976 8.976 7.868 1.108 18152 9941 1 15 . 1 1 17 17 ALA N N 17 121.368 121.368 121.465 -0.097 18152 9942 1 15 . 1 1 17 17 ALA HA H 17 5.186 5.186 5.039 0.147 18152 9943 1 15 . 1 1 17 17 ALA C C 17 174.664 174.664 174.770 -0.106 18152 9944 1 15 . 1 1 17 17 ALA CA C 17 51.098 51.098 50.573 0.525 18152 9945 1 15 . 1 1 17 17 ALA CB C 17 22.853 22.853 22.528 0.325 18152 9946 1 15 . 1 1 17 17 ALA H H 17 8.069 8.069 7.539 0.530 18152 9947 1 15 . 1 1 18 18 MET N N 18 116.475 116.475 120.043 -3.568 18152 9948 1 15 . 1 1 18 18 MET HA H 18 5.303 5.303 5.026 0.277 18152 9949 1 15 . 1 1 18 18 MET C C 18 174.413 174.413 173.880 0.533 18152 9950 1 15 . 1 1 18 18 MET CA C 18 53.607 53.607 54.549 -0.942 18152 9951 1 15 . 1 1 18 18 MET CB C 18 35.038 35.038 37.250 -2.212 18152 9952 1 15 . 1 1 18 18 MET H H 18 8.142 8.142 8.306 -0.164 18152 9953 1 15 . 1 1 19 19 LEU N N 19 126.244 126.244 126.152 0.092 18152 9954 1 15 . 1 1 19 19 LEU HA H 19 5.268 5.268 5.178 0.090 18152 9955 1 15 . 1 1 19 19 LEU C C 19 173.617 173.617 174.195 -0.578 18152 9956 1 15 . 1 1 19 19 LEU CA C 19 52.851 52.851 53.495 -0.644 18152 9957 1 15 . 1 1 19 19 LEU CB C 19 44.705 44.705 44.995 -0.289 18152 9958 1 15 . 1 1 19 19 LEU H H 19 9.369 9.369 9.456 -0.087 18152 9959 1 15 . 1 1 20 20 ASN N N 20 126.596 126.596 125.421 1.175 18152 9960 1 15 . 1 1 20 20 ASN HA H 20 5.340 5.340 5.414 -0.074 18152 9961 1 15 . 1 1 20 20 ASN C C 20 174.316 174.316 173.606 0.710 18152 9962 1 15 . 1 1 20 20 ASN CA C 20 51.344 51.344 52.022 -0.678 18152 9963 1 15 . 1 1 20 20 ASN CB C 20 40.972 40.972 42.160 -1.188 18152 9964 1 15 . 1 1 20 20 ASN H H 20 10.032 10.032 9.442 0.590 18152 9965 1 15 . 1 1 21 21 ILE N N 21 123.799 123.799 125.036 -1.237 18152 9966 1 15 . 1 1 21 21 ILE HA H 21 4.829 4.829 4.931 -0.102 18152 9967 1 15 . 1 1 21 21 ILE C C 21 174.409 174.409 174.788 -0.379 18152 9968 1 15 . 1 1 21 21 ILE CA C 21 58.243 58.243 58.011 0.232 18152 9969 1 15 . 1 1 21 21 ILE CB C 21 37.477 37.477 39.225 -1.748 18152 9970 1 15 . 1 1 21 21 ILE H H 21 8.614 8.614 9.339 -0.725 18152 9971 1 15 . 1 1 22 22 PRO HA H 22 4.178 4.178 4.402 -0.224 18152 9972 1 15 . 1 1 22 22 PRO CA C 22 65.629 65.629 65.480 0.149 18152 9973 1 15 . 1 1 22 22 PRO CB C 22 31.806 31.806 32.415 -0.609 18152 9974 1 15 . 1 1 23 23 LYS N N 23 118.170 118.170 119.834 -1.664 18152 9975 1 15 . 1 1 23 23 LYS HA H 23 3.943 3.943 4.136 -0.193 18152 9976 1 15 . 1 1 23 23 LYS C C 23 177.231 177.231 179.097 -1.866 18152 9977 1 15 . 1 1 23 23 LYS CA C 23 58.643 58.643 59.023 -0.380 18152 9978 1 15 . 1 1 23 23 LYS CB C 23 33.171 33.171 31.959 1.212 18152 9979 1 15 . 1 1 23 23 LYS H H 23 9.365 9.365 8.417 0.948 18152 9980 1 15 . 1 1 24 24 LEU N N 24 111.984 111.984 116.741 -4.757 18152 9981 1 15 . 1 1 24 24 LEU HA H 24 4.319 4.319 4.466 -0.147 18152 9982 1 15 . 1 1 24 24 LEU C C 24 175.562 175.562 175.906 -0.344 18152 9983 1 15 . 1 1 24 24 LEU CA C 24 52.965 52.965 54.184 -1.220 18152 9984 1 15 . 1 1 24 24 LEU CB C 24 42.473 42.473 40.937 1.536 18152 9985 1 15 . 1 1 24 24 LEU H H 24 6.919 6.919 8.126 -1.207 18152 9986 1 15 . 1 1 25 25 LYS N N 25 115.814 115.814 117.857 -2.043 18152 9987 1 15 . 1 1 25 25 LYS HA H 25 3.849 3.849 4.020 -0.171 18152 9988 1 15 . 1 1 25 25 LYS C C 25 175.297 175.297 175.660 -0.363 18152 9989 1 15 . 1 1 25 25 LYS CA C 25 56.598 56.598 57.419 -0.821 18152 9990 1 15 . 1 1 25 25 LYS CB C 25 28.918 28.918 30.048 -1.130 18152 9991 1 15 . 1 1 25 25 LYS H H 25 7.912 7.912 7.340 0.572 18152 9992 1 15 . 1 1 26 26 LYS N N 26 115.145 115.145 118.955 -3.810 18152 9993 1 15 . 1 1 26 26 LYS HA H 26 4.559 4.559 4.469 0.090 18152 9994 1 15 . 1 1 26 26 LYS C C 26 173.961 173.961 174.536 -0.575 18152 9995 1 15 . 1 1 26 26 LYS CA C 26 53.788 53.788 55.135 -1.347 18152 9996 1 15 . 1 1 26 26 LYS CB C 26 37.483 37.483 36.704 0.779 18152 9997 1 15 . 1 1 26 26 LYS H H 26 6.765 6.765 8.200 -1.435 18152 9998 1 15 . 1 1 27 27 LYS N N 27 119.758 119.758 120.101 -0.343 18152 9999 1 15 . 1 1 27 27 LYS HA H 27 5.452 5.452 5.283 0.169 18152 10000 1 15 . 1 1 27 27 LYS C C 27 175.482 175.482 175.396 0.086 18152 10001 1 15 . 1 1 27 27 LYS CA C 27 53.883 53.883 55.052 -1.169 18152 10002 1 15 . 1 1 27 27 LYS CB C 27 35.855 35.855 35.855 0.000 18152 10003 1 15 . 1 1 27 27 LYS H H 27 7.885 7.885 8.146 -0.261 18152 10004 1 15 . 1 1 28 28 PHE N N 28 119.077 119.077 121.828 -2.751 18152 10005 1 15 . 1 1 28 28 PHE HA H 28 4.871 4.871 4.804 0.067 18152 10006 1 15 . 1 1 28 28 PHE C C 28 175.477 175.477 174.461 1.016 18152 10007 1 15 . 1 1 28 28 PHE CA C 28 56.100 56.100 56.729 -0.629 18152 10008 1 15 . 1 1 28 28 PHE CB C 28 42.734 42.734 43.562 -0.828 18152 10009 1 15 . 1 1 28 28 PHE H H 28 9.397 9.397 9.625 -0.228 18152 10010 1 15 . 1 1 29 29 SER N N 29 121.189 121.189 118.339 2.850 18152 10011 1 15 . 1 1 29 29 SER HA H 29 4.848 4.848 4.537 0.311 18152 10012 1 15 . 1 1 29 29 SER C C 29 172.010 172.010 173.512 -1.502 18152 10013 1 15 . 1 1 29 29 SER CA C 29 59.961 59.961 57.673 2.288 18152 10014 1 15 . 1 1 29 29 SER CB C 29 64.433 64.433 63.282 1.151 18152 10015 1 15 . 1 1 29 29 SER H H 29 9.010 9.010 8.801 0.209 18152 10016 1 15 . 1 1 30 30 ILE N N 30 120.881 120.881 127.093 -6.212 18152 10017 1 15 . 1 1 30 30 ILE HA H 30 4.942 4.942 4.174 0.768 18152 10018 1 15 . 1 1 30 30 ILE C C 30 174.874 174.874 174.492 0.382 18152 10019 1 15 . 1 1 30 30 ILE CA C 30 57.775 57.775 60.185 -2.410 18152 10020 1 15 . 1 1 30 30 ILE CB C 30 38.001 38.001 38.135 -0.134 18152 10021 1 15 . 1 1 30 30 ILE H H 30 8.084 8.084 8.302 -0.218 18152 10022 1 15 . 1 1 31 31 TYR N N 31 127.573 127.573 126.189 1.384 18152 10023 1 15 . 1 1 31 31 TYR HA H 31 5.299 5.299 4.907 0.392 18152 10024 1 15 . 1 1 31 31 TYR C C 31 174.806 174.806 175.724 -0.918 18152 10025 1 15 . 1 1 31 31 TYR CA C 31 56.120 56.120 56.642 -0.523 18152 10026 1 15 . 1 1 31 31 TYR CB C 31 41.139 41.139 41.112 0.027 18152 10027 1 15 . 1 1 31 31 TYR H H 31 9.174 9.174 8.495 0.679 18152 10028 1 15 . 1 1 32 32 TRP N N 32 121.993 121.993 123.278 -1.285 18152 10029 1 15 . 1 1 32 32 TRP HA H 32 4.583 4.583 4.376 0.207 18152 10030 1 15 . 1 1 32 32 TRP C C 32 175.194 175.194 176.348 -1.154 18152 10031 1 15 . 1 1 32 32 TRP CA C 32 57.396 57.396 59.239 -1.843 18152 10032 1 15 . 1 1 32 32 TRP CB C 32 29.670 29.670 30.507 -0.837 18152 10033 1 15 . 1 1 32 32 TRP H H 32 9.007 9.007 9.187 -0.180 18152 10034 1 15 . 1 1 33 33 GLY N N 33 120.470 120.470 112.705 7.765 18152 10035 1 15 . 1 1 33 33 GLY C C 33 171.936 171.936 171.722 0.214 18152 10036 1 15 . 1 1 33 33 GLY CA C 33 44.532 44.532 44.163 0.368 18152 10037 1 15 . 1 1 33 33 GLY H H 33 7.758 7.758 7.333 0.425 18152 10038 1 15 . 1 1 34 34 ALA N N 34 120.239 120.239 123.827 -3.588 18152 10039 1 15 . 1 1 34 34 ALA HA H 34 4.447 4.447 4.418 0.029 18152 10040 1 15 . 1 1 34 34 ALA C C 34 176.174 176.174 176.119 0.055 18152 10041 1 15 . 1 1 34 34 ALA CA C 34 49.913 49.913 50.849 -0.937 18152 10042 1 15 . 1 1 34 34 ALA CB C 34 18.955 18.955 21.080 -2.125 18152 10043 1 15 . 1 1 34 34 ALA H H 34 7.883 7.883 7.949 -0.066 18152 10044 1 15 . 1 1 35 35 ASP N N 35 118.828 118.828 125.601 -6.773 18152 10045 1 15 . 1 1 35 35 ASP HA H 35 4.450 4.450 4.659 -0.209 18152 10046 1 15 . 1 1 35 35 ASP C C 35 175.990 175.990 175.850 0.140 18152 10047 1 15 . 1 1 35 35 ASP CA C 35 53.030 53.030 53.704 -0.674 18152 10048 1 15 . 1 1 35 35 ASP CB C 35 41.508 41.508 41.849 -0.341 18152 10049 1 15 . 1 1 35 35 ASP H H 35 7.944 7.944 8.436 -0.492 18152 10050 1 15 . 1 1 36 36 ASP N N 36 121.051 121.051 122.415 -1.364 18152 10051 1 15 . 1 1 36 36 ASP HA H 36 4.335 4.335 4.566 -0.231 18152 10052 1 15 . 1 1 36 36 ASP C C 36 177.296 177.296 176.640 0.656 18152 10053 1 15 . 1 1 36 36 ASP CA C 36 55.183 55.183 54.149 1.034 18152 10054 1 15 . 1 1 36 36 ASP CB C 36 39.837 39.837 40.741 -0.904 18152 10055 1 15 . 1 1 36 36 ASP H H 36 8.509 8.509 8.458 0.051 18152 10056 1 15 . 1 1 37 37 ALA N N 37 119.568 119.568 121.991 -2.423 18152 10057 1 15 . 1 1 37 37 ALA HA H 37 4.060 4.060 4.244 -0.184 18152 10058 1 15 . 1 1 37 37 ALA C C 37 179.598 179.598 177.886 1.712 18152 10059 1 15 . 1 1 37 37 ALA CA C 37 53.967 53.967 53.492 0.475 18152 10060 1 15 . 1 1 37 37 ALA CB C 37 18.009 18.009 18.771 -0.762 18152 10061 1 15 . 1 1 37 37 ALA H H 37 8.169 8.169 7.526 0.643 18152 10062 1 15 . 1 1 38 38 THR HA H 38 3.850 3.850 4.281 -0.431 18152 10063 1 15 . 1 1 38 38 THR CA C 38 68.437 68.437 61.352 7.085 18152 10064 1 15 . 1 1 38 38 THR CB C 38 72.916 72.916 69.588 3.328 18152 10065 1 15 . 1 1 38 38 THR H H 38 7.621 7.621 7.645 -0.024 18152 10066 1 15 . 1 1 42 42 GLY N N 42 106.310 106.310 106.768 -0.458 18152 10067 1 15 . 1 1 42 42 GLY CA C 42 46.480 46.480 46.298 0.182 18152 10068 1 15 . 1 1 43 43 VAL N N 43 121.961 121.961 122.505 -0.544 18152 10069 1 15 . 1 1 43 43 VAL HA H 43 4.481 4.481 4.797 -0.316 18152 10070 1 15 . 1 1 43 43 VAL C C 43 174.308 174.308 175.846 -1.538 18152 10071 1 15 . 1 1 43 43 VAL CA C 43 61.079 61.079 60.516 0.563 18152 10072 1 15 . 1 1 43 43 VAL CB C 43 32.911 32.911 29.842 3.069 18152 10073 1 15 . 1 1 43 43 VAL H H 43 8.247 8.247 7.879 0.368 18152 10074 1 15 . 1 1 44 44 GLY N N 44 114.325 114.325 114.351 -0.026 18152 10075 1 15 . 1 1 44 44 GLY C C 44 172.465 172.465 171.997 0.468 18152 10076 1 15 . 1 1 44 44 GLY CA C 44 43.458 43.458 43.993 -0.535 18152 10077 1 15 . 1 1 44 44 GLY H H 44 9.063 9.063 8.185 0.878 18152 10078 1 15 . 1 1 45 45 MET N N 45 125.031 125.031 120.724 4.307 18152 10079 1 15 . 1 1 45 45 MET HA H 45 4.742 4.742 5.144 -0.402 18152 10080 1 15 . 1 1 45 45 MET C C 45 173.873 173.873 174.204 -0.331 18152 10081 1 15 . 1 1 45 45 MET CA C 45 54.084 54.084 53.571 0.513 18152 10082 1 15 . 1 1 45 45 MET CB C 45 34.548 34.548 35.548 -1.000 18152 10083 1 15 . 1 1 45 45 MET H H 45 8.966 8.966 8.901 0.065 18152 10084 1 15 . 1 1 46 46 PHE N N 46 127.637 127.637 126.005 1.632 18152 10085 1 15 . 1 1 46 46 PHE HA H 46 3.611 3.611 4.174 -0.563 18152 10086 1 15 . 1 1 46 46 PHE C C 46 175.023 175.023 174.463 0.560 18152 10087 1 15 . 1 1 46 46 PHE CA C 46 59.286 59.286 59.003 0.283 18152 10088 1 15 . 1 1 46 46 PHE CB C 46 40.644 40.644 39.580 1.064 18152 10089 1 15 . 1 1 46 46 PHE H H 46 8.790 8.790 7.926 0.864 18152 10090 1 15 . 1 1 47 47 VAL N N 47 130.695 130.695 128.059 2.636 18152 10091 1 15 . 1 1 47 47 VAL HA H 47 3.663 3.663 4.033 -0.370 18152 10092 1 15 . 1 1 47 47 VAL C C 47 174.235 174.235 174.584 -0.349 18152 10093 1 15 . 1 1 47 47 VAL CA C 47 61.455 61.455 62.063 -0.608 18152 10094 1 15 . 1 1 47 47 VAL CB C 47 32.002 32.002 32.111 -0.109 18152 10095 1 15 . 1 1 47 47 VAL H H 47 7.942 7.942 7.747 0.195 18152 10096 1 15 . 1 1 48 48 SER N N 48 120.391 120.391 123.254 -2.863 18152 10097 1 15 . 1 1 48 48 SER HA H 48 4.626 4.626 4.806 -0.180 18152 10098 1 15 . 1 1 48 48 SER C C 48 173.167 173.167 173.246 -0.079 18152 10099 1 15 . 1 1 48 48 SER CA C 48 57.384 57.384 56.712 0.672 18152 10100 1 15 . 1 1 48 48 SER CB C 48 65.720 65.720 65.672 0.048 18152 10101 1 15 . 1 1 48 48 SER H H 48 7.971 7.971 8.893 -0.922 18152 10102 1 15 . 1 1 49 49 ASP N N 49 117.498 117.498 120.054 -2.556 18152 10103 1 15 . 1 1 49 49 ASP HA H 49 4.603 4.603 4.660 -0.057 18152 10104 1 15 . 1 1 49 49 ASP C C 49 174.539 174.539 176.709 -2.170 18152 10105 1 15 . 1 1 49 49 ASP CA C 49 55.222 55.222 55.662 -0.440 18152 10106 1 15 . 1 1 49 49 ASP CB C 49 40.206 40.206 41.167 -0.961 18152 10107 1 15 . 1 1 49 49 ASP H H 49 8.701 8.701 8.781 -0.080 18152 10108 1 15 . 1 1 50 50 VAL N N 50 109.465 109.465 109.592 -0.127 18152 10109 1 15 . 1 1 50 50 VAL HA H 50 4.455 4.455 4.486 -0.031 18152 10110 1 15 . 1 1 50 50 VAL C C 50 174.487 174.487 175.836 -1.349 18152 10111 1 15 . 1 1 50 50 VAL CA C 50 60.840 60.840 61.868 -1.028 18152 10112 1 15 . 1 1 50 50 VAL CB C 50 32.067 32.067 32.705 -0.637 18152 10113 1 15 . 1 1 50 50 VAL H H 50 7.770 7.770 7.590 0.180 18152 10114 1 15 . 1 1 51 51 THR N N 51 110.572 110.572 115.908 -5.336 18152 10115 1 15 . 1 1 51 51 THR HA H 51 5.293 5.293 4.389 0.904 18152 10116 1 15 . 1 1 51 51 THR C C 51 174.591 174.591 174.717 -0.126 18152 10117 1 15 . 1 1 51 51 THR CA C 51 58.487 58.487 61.875 -3.388 18152 10118 1 15 . 1 1 51 51 THR CB C 51 71.674 71.674 69.549 2.124 18152 10119 1 15 . 1 1 51 51 THR H H 51 7.095 7.095 7.763 -0.668 18152 10120 1 15 . 1 1 52 52 THR N N 52 109.706 109.706 118.127 -8.421 18152 10121 1 15 . 1 1 52 52 THR HA H 52 4.988 4.988 4.827 0.161 18152 10122 1 15 . 1 1 52 52 THR C C 52 177.060 177.060 173.015 4.045 18152 10123 1 15 . 1 1 52 52 THR CA C 52 59.777 59.777 60.299 -0.522 18152 10124 1 15 . 1 1 52 52 THR CB C 52 72.911 72.911 71.148 1.763 18152 10125 1 15 . 1 1 52 52 THR H H 52 8.836 8.836 8.735 0.101 18152 10126 1 15 . 1 1 53 53 THR N N 53 113.970 113.970 114.481 -0.511 18152 10127 1 15 . 1 1 53 53 THR HA H 53 4.601 4.601 4.802 -0.201 18152 10128 1 15 . 1 1 53 53 THR C C 53 176.085 176.085 173.169 2.916 18152 10129 1 15 . 1 1 53 53 THR CA C 53 60.920 60.920 58.363 2.557 18152 10130 1 15 . 1 1 53 53 THR CB C 53 67.192 67.192 69.919 -2.727 18152 10131 1 15 . 1 1 53 53 THR H H 53 8.857 8.857 8.373 0.484 18152 10132 1 15 . 1 1 54 54 PRO HA H 54 4.023 4.023 4.482 -0.459 18152 10133 1 15 . 1 1 54 54 PRO CA C 54 64.658 64.658 62.729 1.929 18152 10134 1 15 . 1 1 54 54 PRO CB C 54 29.665 29.665 30.288 -0.623 18152 10135 1 15 . 1 1 55 55 SER N N 55 105.932 105.932 117.082 -11.150 18152 10136 1 15 . 1 1 55 55 SER HA H 55 4.448 4.448 4.121 0.327 18152 10137 1 15 . 1 1 55 55 SER C C 55 176.253 176.253 173.738 2.515 18152 10138 1 15 . 1 1 55 55 SER CA C 55 58.086 58.086 57.011 1.075 18152 10139 1 15 . 1 1 55 55 SER CB C 55 62.950 62.950 64.258 -1.308 18152 10140 1 15 . 1 1 55 55 SER H H 55 6.879 6.879 7.811 -0.932 18152 10141 1 15 . 1 1 56 56 GLY N N 56 109.826 109.826 108.525 1.301 18152 10142 1 15 . 1 1 56 56 GLY C C 56 175.832 175.832 174.375 1.457 18152 10143 1 15 . 1 1 56 56 GLY CA C 56 45.213 45.213 45.157 0.056 18152 10144 1 15 . 1 1 56 56 GLY H H 56 7.733 7.733 7.399 0.334 18152 10145 1 15 . 1 1 57 57 GLY N N 57 105.805 105.805 110.739 -4.934 18152 10146 1 15 . 1 1 57 57 GLY C C 57 172.905 172.905 173.547 -0.642 18152 10147 1 15 . 1 1 57 57 GLY CA C 57 46.480 46.480 45.533 0.947 18152 10148 1 15 . 1 1 57 57 GLY H H 57 7.481 7.481 8.676 -1.195 18152 10149 1 15 . 1 1 58 58 GLY N N 58 109.086 109.086 108.520 0.566 18152 10150 1 15 . 1 1 58 58 GLY C C 58 172.807 172.807 172.563 0.244 18152 10151 1 15 . 1 1 58 58 GLY CA C 58 43.642 43.642 44.236 -0.595 18152 10152 1 15 . 1 1 58 58 GLY H H 58 7.549 7.549 7.775 -0.226 18152 10153 1 15 . 1 1 59 59 HIS N N 59 127.776 127.776 121.764 6.012 18152 10154 1 15 . 1 1 59 59 HIS HA H 59 5.162 5.162 4.700 0.462 18152 10155 1 15 . 1 1 59 59 HIS C C 59 174.930 174.930 174.328 0.602 18152 10156 1 15 . 1 1 59 59 HIS CA C 59 52.820 52.820 55.080 -2.260 18152 10157 1 15 . 1 1 59 59 HIS CB C 59 30.250 30.250 30.306 -0.056 18152 10158 1 15 . 1 1 59 59 HIS H H 59 9.517 9.517 8.779 0.738 18152 10159 1 15 . 1 1 60 60 THR N N 60 127.768 127.768 125.063 2.705 18152 10160 1 15 . 1 1 60 60 THR HA H 60 4.870 4.870 5.024 -0.154 18152 10161 1 15 . 1 1 60 60 THR C C 60 171.847 171.847 173.036 -1.189 18152 10162 1 15 . 1 1 60 60 THR CA C 60 61.358 61.358 61.395 -0.037 18152 10163 1 15 . 1 1 60 60 THR CB C 60 69.821 69.821 70.260 -0.439 18152 10164 1 15 . 1 1 60 60 THR H H 60 9.769 9.769 9.163 0.606 18152 10165 1 15 . 1 1 61 61 VAL N N 61 126.493 126.493 127.710 -1.217 18152 10166 1 15 . 1 1 61 61 VAL HA H 61 4.641 4.641 5.027 -0.386 18152 10167 1 15 . 1 1 61 61 VAL C C 61 173.794 173.794 174.605 -0.811 18152 10168 1 15 . 1 1 61 61 VAL CA C 61 59.808 59.808 60.460 -0.652 18152 10169 1 15 . 1 1 61 61 VAL CB C 61 33.334 33.334 33.801 -0.467 18152 10170 1 15 . 1 1 61 61 VAL H H 61 8.534 8.534 8.679 -0.145 18152 10171 1 15 . 1 1 62 62 LEU N N 62 126.342 126.342 127.997 -1.655 18152 10172 1 15 . 1 1 62 62 LEU HA H 62 5.345 5.345 4.869 0.476 18152 10173 1 15 . 1 1 62 62 LEU C C 62 175.554 175.554 175.181 0.373 18152 10174 1 15 . 1 1 62 62 LEU CA C 62 51.143 51.143 53.200 -2.057 18152 10175 1 15 . 1 1 62 62 LEU CB C 62 43.344 43.344 44.826 -1.482 18152 10176 1 15 . 1 1 62 62 LEU H H 62 9.284 9.284 9.379 -0.095 18152 10177 1 15 . 1 1 63 63 SER N N 63 116.370 116.370 117.313 -0.943 18152 10178 1 15 . 1 1 63 63 SER HA H 63 5.328 5.328 5.708 -0.380 18152 10179 1 15 . 1 1 63 63 SER C C 63 174.576 174.576 173.559 1.017 18152 10180 1 15 . 1 1 63 63 SER CA C 63 54.893 54.893 56.061 -1.168 18152 10181 1 15 . 1 1 63 63 SER CB C 63 64.901 64.901 65.021 -0.120 18152 10182 1 15 . 1 1 63 63 SER H H 63 9.117 9.117 8.580 0.537 18152 10183 1 15 . 1 1 64 64 GLY N N 64 111.783 111.783 114.210 -2.427 18152 10184 1 15 . 1 1 64 64 GLY C C 64 173.058 173.058 172.450 0.608 18152 10185 1 15 . 1 1 64 64 GLY CA C 64 45.547 45.547 45.182 0.365 18152 10186 1 15 . 1 1 64 64 GLY H H 64 8.723 8.723 8.536 0.187 18152 10187 1 15 . 1 1 74 74 GLY C C 74 173.703 173.703 175.567 -1.864 18152 10188 1 15 . 1 1 74 74 GLY CA C 74 45.507 45.507 45.741 -0.234 18152 10189 1 15 . 1 1 75 75 GLN N N 75 116.093 116.093 119.588 -3.495 18152 10190 1 15 . 1 1 75 75 GLN HA H 75 4.229 4.229 4.151 0.078 18152 10191 1 15 . 1 1 75 75 GLN C C 75 177.319 177.319 176.870 0.449 18152 10192 1 15 . 1 1 75 75 GLN CA C 75 56.016 56.016 57.527 -1.511 18152 10193 1 15 . 1 1 75 75 GLN CB C 75 29.310 29.310 29.372 -0.062 18152 10194 1 15 . 1 1 75 75 GLN H H 75 7.598 7.598 7.883 -0.285 18152 10195 1 15 . 1 1 76 76 LEU N N 76 117.894 117.894 116.849 1.045 18152 10196 1 15 . 1 1 76 76 LEU HA H 76 4.373 4.373 4.455 -0.082 18152 10197 1 15 . 1 1 76 76 LEU C C 76 175.639 175.639 175.070 0.569 18152 10198 1 15 . 1 1 76 76 LEU CA C 76 54.578 54.578 54.923 -0.345 18152 10199 1 15 . 1 1 76 76 LEU CB C 76 41.720 41.720 40.508 1.212 18152 10200 1 15 . 1 1 76 76 LEU H H 76 7.285 7.285 7.692 -0.407 18152 10201 1 15 . 1 1 77 77 LYS N N 77 122.287 122.287 121.316 0.971 18152 10202 1 15 . 1 1 77 77 LYS HA H 77 4.545 4.545 4.421 0.124 18152 10203 1 15 . 1 1 77 77 LYS C C 77 175.553 175.553 176.729 -1.176 18152 10204 1 15 . 1 1 77 77 LYS CA C 77 53.336 53.336 56.549 -3.213 18152 10205 1 15 . 1 1 77 77 LYS CB C 77 36.380 36.380 33.847 2.533 18152 10206 1 15 . 1 1 77 77 LYS H H 77 9.513 9.513 7.520 1.993 18152 10207 1 15 . 1 1 78 78 GLU N N 78 118.949 118.949 122.640 -3.691 18152 10208 1 15 . 1 1 78 78 GLU HA H 78 3.523 3.523 4.387 -0.864 18152 10209 1 15 . 1 1 78 78 GLU C C 78 177.053 177.053 177.081 -0.028 18152 10210 1 15 . 1 1 78 78 GLU CA C 78 59.205 59.205 58.708 0.497 18152 10211 1 15 . 1 1 78 78 GLU CB C 78 28.284 28.284 29.324 -1.040 18152 10212 1 15 . 1 1 78 78 GLU H H 78 8.900 8.900 8.873 0.027 18152 10213 1 15 . 1 1 79 79 LYS N N 79 114.843 114.843 116.451 -1.608 18152 10214 1 15 . 1 1 79 79 LYS HA H 79 3.751 3.751 4.259 -0.508 18152 10215 1 15 . 1 1 79 79 LYS C C 79 176.434 176.434 176.547 -0.113 18152 10216 1 15 . 1 1 79 79 LYS CA C 79 59.231 59.231 56.542 2.689 18152 10217 1 15 . 1 1 79 79 LYS CB C 79 29.657 29.657 32.220 -2.563 18152 10218 1 15 . 1 1 79 79 LYS H H 79 8.909 8.909 7.859 1.050 18152 10219 1 15 . 1 1 80 80 ASP N N 80 119.664 119.664 120.102 -0.438 18152 10220 1 15 . 1 1 80 80 ASP HA H 80 4.946 4.946 4.670 0.276 18152 10221 1 15 . 1 1 80 80 ASP C C 80 175.886 175.886 174.631 1.255 18152 10222 1 15 . 1 1 80 80 ASP CA C 80 55.661 55.661 54.428 1.233 18152 10223 1 15 . 1 1 80 80 ASP CB C 80 41.782 41.782 42.598 -0.816 18152 10224 1 15 . 1 1 80 80 ASP H H 80 8.052 8.052 7.748 0.304 18152 10225 1 15 . 1 1 81 81 THR N N 81 111.597 111.597 111.444 0.153 18152 10226 1 15 . 1 1 81 81 THR HA H 81 5.321 5.321 4.960 0.361 18152 10227 1 15 . 1 1 81 81 THR C C 81 174.221 174.221 173.386 0.835 18152 10228 1 15 . 1 1 81 81 THR CA C 81 61.103 61.103 60.357 0.746 18152 10229 1 15 . 1 1 81 81 THR CB C 81 71.264 71.264 72.503 -1.239 18152 10230 1 15 . 1 1 81 81 THR H H 81 8.083 8.083 8.015 0.068 18152 10231 1 15 . 1 1 82 82 LEU N N 82 120.358 120.358 123.618 -3.260 18152 10232 1 15 . 1 1 82 82 LEU HA H 82 4.836 4.836 4.887 -0.051 18152 10233 1 15 . 1 1 82 82 LEU C C 82 174.850 174.850 175.263 -0.413 18152 10234 1 15 . 1 1 82 82 LEU CA C 82 53.721 53.721 53.788 -0.068 18152 10235 1 15 . 1 1 82 82 LEU CB C 82 45.655 45.655 45.142 0.513 18152 10236 1 15 . 1 1 82 82 LEU H H 82 8.684 8.684 9.121 -0.437 18152 10237 1 15 . 1 1 83 83 VAL N N 83 121.834 121.834 123.735 -1.901 18152 10238 1 15 . 1 1 83 83 VAL HA H 83 5.269 5.269 5.382 -0.113 18152 10239 1 15 . 1 1 83 83 VAL C C 83 174.766 174.766 174.962 -0.196 18152 10240 1 15 . 1 1 83 83 VAL CA C 83 61.157 61.157 60.153 1.004 18152 10241 1 15 . 1 1 83 83 VAL CB C 83 34.923 34.923 32.961 1.962 18152 10242 1 15 . 1 1 83 83 VAL H H 83 8.670 8.670 9.259 -0.589 18152 10243 1 15 . 1 1 84 84 LEU N N 84 129.811 129.811 128.183 1.628 18152 10244 1 15 . 1 1 84 84 LEU HA H 84 5.647 5.647 5.348 0.299 18152 10245 1 15 . 1 1 84 84 LEU C C 84 175.644 175.644 176.140 -0.496 18152 10246 1 15 . 1 1 84 84 LEU CA C 84 53.160 53.160 53.259 -0.099 18152 10247 1 15 . 1 1 84 84 LEU CB C 84 46.815 46.815 44.814 2.001 18152 10248 1 15 . 1 1 84 84 LEU H H 84 10.025 10.025 9.179 0.846 18152 10249 1 15 . 1 1 85 85 GLU N N 85 125.273 125.273 123.988 1.285 18152 10250 1 15 . 1 1 85 85 GLU HA H 85 5.293 5.293 5.434 -0.141 18152 10251 1 15 . 1 1 85 85 GLU C C 85 175.910 175.910 175.364 0.546 18152 10252 1 15 . 1 1 85 85 GLU CA C 85 54.716 54.716 54.831 -0.115 18152 10253 1 15 . 1 1 85 85 GLU CB C 85 30.904 30.904 31.412 -0.508 18152 10254 1 15 . 1 1 85 85 GLU H H 85 9.117 9.117 9.040 0.077 18152 10255 1 15 . 1 1 86 86 TYR N N 86 125.299 125.299 126.931 -1.632 18152 10256 1 15 . 1 1 86 86 TYR HA H 86 4.825 4.825 4.769 0.056 18152 10257 1 15 . 1 1 86 86 TYR C C 86 174.077 174.077 174.769 -0.692 18152 10258 1 15 . 1 1 86 86 TYR CA C 86 57.516 57.516 57.828 -0.312 18152 10259 1 15 . 1 1 86 86 TYR CB C 86 41.720 41.720 41.924 -0.204 18152 10260 1 15 . 1 1 86 86 TYR H H 86 9.056 9.056 9.319 -0.263 18152 10261 1 15 . 1 1 87 87 ASP N N 87 131.006 131.006 129.140 1.866 18152 10262 1 15 . 1 1 87 87 ASP HA H 87 3.921 3.921 4.175 -0.254 18152 10263 1 15 . 1 1 87 87 ASP C C 87 171.773 171.773 175.879 -4.106 18152 10264 1 15 . 1 1 87 87 ASP CA C 87 54.613 54.613 54.729 -0.116 18152 10265 1 15 . 1 1 87 87 ASP CB C 87 39.659 39.659 40.082 -0.423 18152 10266 1 15 . 1 1 87 87 ASP H H 87 9.071 9.071 8.790 0.281 18152 10267 1 15 . 1 1 88 88 ASN N N 88 109.843 109.843 109.681 0.162 18152 10268 1 15 . 1 1 88 88 ASN HA H 88 4.159 4.159 4.287 -0.128 18152 10269 1 15 . 1 1 88 88 ASN C C 88 173.995 173.995 174.084 -0.089 18152 10270 1 15 . 1 1 88 88 ASN CA C 88 54.528 54.528 55.099 -0.571 18152 10271 1 15 . 1 1 88 88 ASN CB C 88 37.383 37.383 38.336 -0.953 18152 10272 1 15 . 1 1 88 88 ASN H H 88 8.613 8.613 8.835 -0.223 18152 10273 1 15 . 1 1 89 89 LYS N N 89 119.021 119.021 119.213 -0.192 18152 10274 1 15 . 1 1 89 89 LYS HA H 89 4.714 4.714 4.778 -0.064 18152 10275 1 15 . 1 1 89 89 LYS C C 89 174.644 174.644 175.307 -0.663 18152 10276 1 15 . 1 1 89 89 LYS CA C 89 55.133 55.133 55.677 -0.544 18152 10277 1 15 . 1 1 89 89 LYS CB C 89 36.460 36.460 35.535 0.925 18152 10278 1 15 . 1 1 89 89 LYS H H 89 7.903 7.903 7.716 0.187 18152 10279 1 15 . 1 1 90 90 THR N N 90 117.141 117.141 119.905 -2.764 18152 10280 1 15 . 1 1 90 90 THR HA H 90 4.819 4.819 5.393 -0.574 18152 10281 1 15 . 1 1 90 90 THR C C 90 172.823 172.823 174.128 -1.305 18152 10282 1 15 . 1 1 90 90 THR CA C 90 61.745 61.745 62.125 -0.380 18152 10283 1 15 . 1 1 90 90 THR CB C 90 69.709 69.709 69.887 -0.178 18152 10284 1 15 . 1 1 90 90 THR H H 90 8.451 8.451 8.467 -0.016 18152 10285 1 15 . 1 1 91 91 TYR N N 91 127.333 127.333 127.954 -0.621 18152 10286 1 15 . 1 1 91 91 TYR HA H 91 4.620 4.620 4.735 -0.115 18152 10287 1 15 . 1 1 91 91 TYR C C 91 174.313 174.313 175.935 -1.622 18152 10288 1 15 . 1 1 91 91 TYR CA C 91 56.764 56.764 56.944 -0.180 18152 10289 1 15 . 1 1 91 91 TYR CB C 91 41.054 41.054 40.757 0.298 18152 10290 1 15 . 1 1 91 91 TYR H H 91 9.552 9.552 9.916 -0.364 18152 10291 1 15 . 1 1 92 92 THR N N 92 117.709 117.709 119.259 -1.550 18152 10292 1 15 . 1 1 92 92 THR HA H 92 4.941 4.941 4.742 0.199 18152 10293 1 15 . 1 1 92 92 THR C C 92 172.464 172.464 173.203 -0.739 18152 10294 1 15 . 1 1 92 92 THR CA C 92 61.320 61.320 61.448 -0.128 18152 10295 1 15 . 1 1 92 92 THR CB C 92 69.546 69.546 68.731 0.815 18152 10296 1 15 . 1 1 92 92 THR H H 92 8.705 8.705 8.941 -0.236 18152 10297 1 15 . 1 1 93 93 TYR N N 93 122.946 122.946 125.885 -2.939 18152 10298 1 15 . 1 1 93 93 TYR HA H 93 5.431 5.431 5.440 -0.009 18152 10299 1 15 . 1 1 93 93 TYR C C 93 174.846 174.846 175.167 -0.321 18152 10300 1 15 . 1 1 93 93 TYR CA C 93 55.804 55.804 56.536 -0.732 18152 10301 1 15 . 1 1 93 93 TYR CB C 93 42.627 42.627 42.373 0.254 18152 10302 1 15 . 1 1 93 93 TYR H H 93 9.381 9.381 9.725 -0.344 18152 10303 1 15 . 1 1 94 94 GLU N N 94 121.240 121.240 121.031 0.209 18152 10304 1 15 . 1 1 94 94 GLU HA H 94 4.901 4.901 4.913 -0.012 18152 10305 1 15 . 1 1 94 94 GLU C C 94 177.060 177.060 175.329 1.731 18152 10306 1 15 . 1 1 94 94 GLU CA C 94 54.073 54.073 54.113 -0.040 18152 10307 1 15 . 1 1 94 94 GLU CB C 94 33.787 33.787 34.340 -0.553 18152 10308 1 15 . 1 1 94 94 GLU H H 94 9.100 9.100 9.329 -0.229 18152 10309 1 15 . 1 1 95 95 ILE N N 95 128.525 128.525 126.828 1.697 18152 10310 1 15 . 1 1 95 95 ILE HA H 95 3.737 3.737 4.151 -0.414 18152 10311 1 15 . 1 1 95 95 ILE C C 95 176.261 176.261 176.725 -0.464 18152 10312 1 15 . 1 1 95 95 ILE CA C 95 64.664 64.664 63.017 1.647 18152 10313 1 15 . 1 1 95 95 ILE CB C 95 37.472 37.472 36.582 0.890 18152 10314 1 15 . 1 1 95 95 ILE H H 95 9.293 9.293 8.449 0.844 18152 10315 1 15 . 1 1 96 96 GLN N N 96 127.221 127.221 128.256 -1.035 18152 10316 1 15 . 1 1 96 96 GLN HA H 96 4.831 4.831 4.428 0.403 18152 10317 1 15 . 1 1 96 96 GLN C C 96 174.674 174.674 176.123 -1.449 18152 10318 1 15 . 1 1 96 96 GLN CA C 96 54.632 54.632 57.193 -2.561 18152 10319 1 15 . 1 1 96 96 GLN CB C 96 31.165 31.165 30.142 1.023 18152 10320 1 15 . 1 1 96 96 GLN H H 96 10.106 10.106 8.573 1.533 18152 10321 1 15 . 1 1 97 97 LYS N N 97 120.717 120.717 119.066 1.651 18152 10322 1 15 . 1 1 97 97 LYS HA H 97 4.658 4.658 4.646 0.012 18152 10323 1 15 . 1 1 97 97 LYS C C 97 173.200 173.200 174.387 -1.187 18152 10324 1 15 . 1 1 97 97 LYS CA C 97 56.528 56.528 55.830 0.698 18152 10325 1 15 . 1 1 97 97 LYS CB C 97 36.462 36.462 35.609 0.853 18152 10326 1 15 . 1 1 97 97 LYS H H 97 7.958 7.958 7.619 0.339 18152 10327 1 15 . 1 1 98 98 ILE N N 98 125.089 125.089 124.826 0.263 18152 10328 1 15 . 1 1 98 98 ILE HA H 98 5.221 5.221 4.585 0.636 18152 10329 1 15 . 1 1 98 98 ILE C C 98 175.821 175.821 175.649 0.172 18152 10330 1 15 . 1 1 98 98 ILE CA C 98 60.078 60.078 60.544 -0.466 18152 10331 1 15 . 1 1 98 98 ILE CB C 98 42.082 42.082 39.703 2.379 18152 10332 1 15 . 1 1 98 98 ILE H H 98 8.458 8.458 8.679 -0.221 18152 10333 1 15 . 1 1 99 99 TRP N N 99 129.003 129.003 127.495 1.508 18152 10334 1 15 . 1 1 99 99 TRP HA H 99 4.661 4.661 4.952 -0.291 18152 10335 1 15 . 1 1 99 99 TRP C C 99 170.353 170.353 172.853 -2.500 18152 10336 1 15 . 1 1 99 99 TRP CA C 99 56.388 56.388 55.565 0.823 18152 10337 1 15 . 1 1 99 99 TRP CB C 99 31.158 31.158 30.557 0.601 18152 10338 1 15 . 1 1 99 99 TRP H H 99 9.291 9.291 8.278 1.012 18152 10339 1 15 . 1 1 100 100 ILE N N 100 117.739 117.739 119.864 -2.125 18152 10340 1 15 . 1 1 100 100 ILE HA H 100 4.616 4.616 4.508 0.108 18152 10341 1 15 . 1 1 100 100 ILE C C 100 176.258 176.258 175.309 0.949 18152 10342 1 15 . 1 1 100 100 ILE CA C 100 58.973 58.973 60.268 -1.295 18152 10343 1 15 . 1 1 100 100 ILE CB C 100 40.734 40.734 40.791 -0.057 18152 10344 1 15 . 1 1 100 100 ILE H H 100 7.778 7.778 8.345 -0.567 18152 10345 1 15 . 1 1 101 101 THR N N 101 120.676 120.676 120.363 0.313 18152 10346 1 15 . 1 1 101 101 THR HA H 101 4.755 4.755 4.792 -0.037 18152 10347 1 15 . 1 1 101 101 THR C C 101 172.069 172.069 172.875 -0.806 18152 10348 1 15 . 1 1 101 101 THR CA C 101 57.557 57.557 59.978 -2.421 18152 10349 1 15 . 1 1 101 101 THR CB C 101 70.656 70.656 71.279 -0.623 18152 10350 1 15 . 1 1 101 101 THR H H 101 8.587 8.587 8.486 0.101 18152 10351 1 15 . 1 1 102 102 HIS N N 102 119.885 119.885 119.449 0.436 18152 10352 1 15 . 1 1 102 102 HIS HA H 102 5.401 5.401 4.591 0.810 18152 10353 1 15 . 1 1 102 102 HIS C C 102 176.781 176.781 176.878 -0.097 18152 10354 1 15 . 1 1 102 102 HIS CA C 102 54.482 54.482 58.343 -3.861 18152 10355 1 15 . 1 1 102 102 HIS CB C 102 31.240 31.240 30.375 0.865 18152 10356 1 15 . 1 1 102 102 HIS H H 102 8.194 8.194 8.794 -0.600 18152 10357 1 15 . 1 1 103 103 ALA N N 103 121.632 121.632 125.260 -3.628 18152 10358 1 15 . 1 1 103 103 ALA HA H 103 3.710 3.710 4.230 -0.520 18152 10359 1 15 . 1 1 103 103 ALA C C 103 177.587 177.587 177.415 0.172 18152 10360 1 15 . 1 1 103 103 ALA CA C 103 54.899 54.899 54.572 0.327 18152 10361 1 15 . 1 1 103 103 ALA CB C 103 17.981 17.981 19.085 -1.104 18152 10362 1 15 . 1 1 103 103 ALA H H 103 8.405 8.405 8.587 -0.182 18152 10363 1 15 . 1 1 104 104 ASP N N 104 114.513 114.513 116.230 -1.717 18152 10364 1 15 . 1 1 104 104 ASP HA H 104 4.603 4.603 4.669 -0.066 18152 10365 1 15 . 1 1 104 104 ASP C C 104 175.283 175.283 175.345 -0.062 18152 10366 1 15 . 1 1 104 104 ASP CA C 104 53.070 53.070 53.749 -0.679 18152 10367 1 15 . 1 1 104 104 ASP CB C 104 40.034 40.034 40.517 -0.483 18152 10368 1 15 . 1 1 104 104 ASP H H 104 8.314 8.314 8.342 -0.028 18152 10369 1 15 . 1 1 105 105 ASP N N 105 119.184 119.184 121.475 -2.291 18152 10370 1 15 . 1 1 105 105 ASP HA H 105 4.170 4.170 4.714 -0.544 18152 10371 1 15 . 1 1 105 105 ASP C C 105 177.674 177.674 176.996 0.678 18152 10372 1 15 . 1 1 105 105 ASP CA C 105 54.268 54.268 53.872 0.396 18152 10373 1 15 . 1 1 105 105 ASP CB C 105 39.846 39.846 40.921 -1.075 18152 10374 1 15 . 1 1 105 105 ASP H H 105 7.043 7.043 7.611 -0.568 18152 10375 1 15 . 1 1 106 106 ARG N N 106 127.998 127.998 127.147 0.851 18152 10376 1 15 . 1 1 106 106 ARG HA H 106 4.368 4.368 4.038 0.330 18152 10377 1 15 . 1 1 106 106 ARG C C 106 177.709 177.709 177.358 0.351 18152 10378 1 15 . 1 1 106 106 ARG CA C 106 55.888 55.888 59.255 -3.367 18152 10379 1 15 . 1 1 106 106 ARG CB C 106 29.264 29.264 29.723 -0.459 18152 10380 1 15 . 1 1 106 106 ARG H H 106 8.921 8.921 7.916 1.005 18152 10381 1 15 . 1 1 107 107 THR N N 107 111.880 111.880 112.093 -0.213 18152 10382 1 15 . 1 1 107 107 THR HA H 107 4.139 4.139 4.029 0.110 18152 10383 1 15 . 1 1 107 107 THR C C 107 173.548 173.548 175.449 -1.901 18152 10384 1 15 . 1 1 107 107 THR CA C 107 62.350 62.350 64.803 -2.453 18152 10385 1 15 . 1 1 107 107 THR CB C 107 68.935 68.935 68.016 0.919 18152 10386 1 15 . 1 1 107 107 THR H H 107 8.857 8.857 8.294 0.563 18152 10387 1 15 . 1 1 108 108 VAL N N 108 118.971 118.971 116.152 2.819 18152 10388 1 15 . 1 1 108 108 VAL HA H 108 3.942 3.942 4.276 -0.334 18152 10389 1 15 . 1 1 108 108 VAL C C 108 176.853 176.853 175.358 1.495 18152 10390 1 15 . 1 1 108 108 VAL CA C 108 63.878 63.878 62.254 1.624 18152 10391 1 15 . 1 1 108 108 VAL CB C 108 32.470 32.470 32.663 -0.193 18152 10392 1 15 . 1 1 108 108 VAL H H 108 6.811 6.811 7.398 -0.587 18152 10393 1 15 . 1 1 109 109 ILE N N 109 120.334 120.334 118.385 1.949 18152 10394 1 15 . 1 1 109 109 ILE HA H 109 3.438 3.438 4.074 -0.636 18152 10395 1 15 . 1 1 109 109 ILE C C 109 173.191 173.191 175.239 -2.048 18152 10396 1 15 . 1 1 109 109 ILE CA C 109 60.963 60.963 59.667 1.296 18152 10397 1 15 . 1 1 109 109 ILE CB C 109 33.933 33.933 36.285 -2.352 18152 10398 1 15 . 1 1 109 109 ILE H H 109 8.053 8.053 8.110 -0.057 18152 10399 1 15 . 1 1 110 110 ILE N N 110 118.981 118.981 119.418 -0.437 18152 10400 1 15 . 1 1 110 110 ILE HA H 110 4.542 4.542 4.441 0.101 18152 10401 1 15 . 1 1 110 110 ILE C C 110 174.405 174.405 174.614 -0.209 18152 10402 1 15 . 1 1 110 110 ILE CA C 110 57.932 57.932 58.930 -0.998 18152 10403 1 15 . 1 1 110 110 ILE CB C 110 42.146 42.146 38.652 3.494 18152 10404 1 15 . 1 1 110 110 ILE H H 110 6.877 6.877 7.555 -0.678 18152 10405 1 15 . 1 1 111 111 LYS N N 111 123.307 123.307 119.619 3.688 18152 10406 1 15 . 1 1 111 111 LYS HA H 111 4.609 4.609 4.684 -0.075 18152 10407 1 15 . 1 1 111 111 LYS C C 111 176.528 176.528 176.118 0.410 18152 10408 1 15 . 1 1 111 111 LYS CA C 111 56.695 56.695 55.576 1.119 18152 10409 1 15 . 1 1 111 111 LYS CB C 111 33.092 33.092 33.795 -0.703 18152 10410 1 15 . 1 1 111 111 LYS H H 111 8.492 8.492 8.078 0.414 18152 10411 1 15 . 1 1 112 112 LYS N N 112 121.425 121.425 122.795 -1.370 18152 10412 1 15 . 1 1 112 112 LYS HA H 112 4.706 4.706 4.503 0.203 18152 10413 1 15 . 1 1 112 112 LYS C C 112 175.996 175.996 175.248 0.748 18152 10414 1 15 . 1 1 112 112 LYS CA C 112 53.271 53.271 55.603 -2.332 18152 10415 1 15 . 1 1 112 112 LYS CB C 112 36.089 36.089 35.098 0.991 18152 10416 1 15 . 1 1 112 112 LYS H H 112 8.351 8.351 8.743 -0.392 18152 10417 1 15 . 1 1 113 113 GLU N N 113 119.533 119.533 122.631 -3.098 18152 10418 1 15 . 1 1 113 113 GLU HA H 113 4.372 4.372 4.192 0.180 18152 10419 1 15 . 1 1 113 113 GLU C C 113 174.477 174.477 175.750 -1.273 18152 10420 1 15 . 1 1 113 113 GLU CA C 113 55.175 55.175 56.271 -1.096 18152 10421 1 15 . 1 1 113 113 GLU CB C 113 29.097 29.097 29.797 -0.701 18152 10422 1 15 . 1 1 113 113 GLU H H 113 8.815 8.815 8.830 -0.015 18152 10423 1 15 . 1 1 114 114 GLU N N 114 117.843 117.843 117.319 0.524 18152 10424 1 15 . 1 1 114 114 GLU HA H 114 4.701 4.701 4.683 0.018 18152 10425 1 15 . 1 1 114 114 GLU C C 114 172.378 172.378 174.040 -1.662 18152 10426 1 15 . 1 1 114 114 GLU CA C 114 52.633 52.633 52.923 -0.290 18152 10427 1 15 . 1 1 114 114 GLU CB C 114 30.487 30.487 30.657 -0.170 18152 10428 1 15 . 1 1 114 114 GLU H H 114 7.426 7.426 7.660 -0.234 18152 10429 1 15 . 1 1 115 115 PRO HA H 115 4.725 4.725 5.004 -0.279 18152 10430 1 15 . 1 1 115 115 PRO CA C 115 62.352 62.352 62.968 -0.616 18152 10431 1 15 . 1 1 115 115 PRO CB C 115 30.706 30.706 31.286 -0.580 18152 10432 1 15 . 1 1 116 116 ILE N N 116 130.464 130.464 123.966 6.498 18152 10433 1 15 . 1 1 116 116 ILE HA H 116 4.785 4.785 4.889 -0.104 18152 10434 1 15 . 1 1 116 116 ILE C C 116 172.992 172.992 174.262 -1.270 18152 10435 1 15 . 1 1 116 116 ILE CA C 116 56.976 56.976 58.710 -1.734 18152 10436 1 15 . 1 1 116 116 ILE CB C 116 41.420 41.420 41.932 -0.512 18152 10437 1 15 . 1 1 116 116 ILE H H 116 7.830 7.830 8.329 -0.499 18152 10438 1 15 . 1 1 117 117 LEU N N 117 128.504 128.504 128.854 -0.350 18152 10439 1 15 . 1 1 117 117 LEU HA H 117 5.307 5.307 5.139 0.168 18152 10440 1 15 . 1 1 117 117 LEU C C 117 174.488 174.488 175.086 -0.598 18152 10441 1 15 . 1 1 117 117 LEU CA C 117 52.062 52.062 53.093 -1.031 18152 10442 1 15 . 1 1 117 117 LEU CB C 117 45.447 45.447 44.325 1.121 18152 10443 1 15 . 1 1 117 117 LEU H H 117 8.838 8.838 8.978 -0.140 18152 10444 1 15 . 1 1 118 118 THR N N 118 125.436 125.436 123.461 1.975 18152 10445 1 15 . 1 1 118 118 THR HA H 118 5.417 5.417 4.951 0.466 18152 10446 1 15 . 1 1 118 118 THR C C 118 173.169 173.169 172.714 0.455 18152 10447 1 15 . 1 1 118 118 THR CA C 118 60.596 60.596 62.009 -1.413 18152 10448 1 15 . 1 1 118 118 THR CB C 118 68.558 68.558 70.560 -2.002 18152 10449 1 15 . 1 1 118 118 THR H H 118 8.938 8.938 9.205 -0.267 18152 10450 1 15 . 1 1 119 119 LEU N N 119 128.310 128.310 130.260 -1.950 18152 10451 1 15 . 1 1 119 119 LEU HA H 119 5.103 5.103 5.116 -0.013 18152 10452 1 15 . 1 1 119 119 LEU C C 119 174.404 174.404 174.799 -0.395 18152 10453 1 15 . 1 1 119 119 LEU CA C 119 52.439 52.439 53.351 -0.912 18152 10454 1 15 . 1 1 119 119 LEU CB C 119 44.373 44.373 44.958 -0.585 18152 10455 1 15 . 1 1 119 119 LEU H H 119 9.280 9.280 8.981 0.299 18152 10456 1 15 . 1 1 120 120 THR N N 120 117.635 117.635 120.757 -3.122 18152 10457 1 15 . 1 1 120 120 THR HA H 120 5.590 5.590 5.709 -0.119 18152 10458 1 15 . 1 1 120 120 THR C C 120 172.735 172.735 173.960 -1.225 18152 10459 1 15 . 1 1 120 120 THR CA C 120 57.360 57.360 59.824 -2.464 18152 10460 1 15 . 1 1 120 120 THR CB C 120 70.136 70.136 70.356 -0.220 18152 10461 1 15 . 1 1 120 120 THR H H 120 8.640 8.640 9.282 -0.642 18152 10462 1 15 . 1 1 121 121 THR N N 121 116.149 116.149 122.127 -5.978 18152 10463 1 15 . 1 1 121 121 THR HA H 121 4.766 4.766 5.218 -0.452 18152 10464 1 15 . 1 1 121 121 THR C C 121 174.145 174.145 174.323 -0.178 18152 10465 1 15 . 1 1 121 121 THR CA C 121 59.550 59.550 59.468 0.082 18152 10466 1 15 . 1 1 121 121 THR CB C 121 71.701 71.701 70.873 0.828 18152 10467 1 15 . 1 1 121 121 THR H H 121 8.374 8.374 8.490 -0.116 18152 10468 1 15 . 1 1 123 123 TYR N N 123 121.847 121.847 121.169 0.678 18152 10469 1 15 . 1 1 123 123 TYR H H 123 7.461 7.461 7.979 -0.518 18152 10470 1 15 . 1 1 125 125 PHE N N 125 120.754 120.754 112.037 8.717 18152 10471 1 15 . 1 1 125 125 PHE HA H 125 4.420 4.420 4.904 -0.484 18152 10472 1 15 . 1 1 125 125 PHE C C 125 176.083 176.083 176.411 -0.328 18152 10473 1 15 . 1 1 125 125 PHE CA C 125 58.918 58.918 56.695 2.223 18152 10474 1 15 . 1 1 125 125 PHE CB C 125 38.624 38.624 39.310 -0.686 18152 10475 1 15 . 1 1 125 125 PHE H H 125 7.334 7.334 7.266 0.068 18152 10476 1 15 . 1 1 126 126 ASP N N 126 114.938 114.938 120.411 -5.473 18152 10477 1 15 . 1 1 126 126 ASP HA H 126 4.548 4.548 4.516 0.032 18152 10478 1 15 . 1 1 126 126 ASP C C 126 175.285 175.285 177.075 -1.790 18152 10479 1 15 . 1 1 126 126 ASP CA C 126 51.974 51.974 53.785 -1.811 18152 10480 1 15 . 1 1 126 126 ASP CB C 126 39.454 39.454 39.581 -0.127 18152 10481 1 15 . 1 1 126 126 ASP H H 126 8.179 8.179 7.815 0.364 18152 10482 1 15 . 1 1 127 127 TYR N N 127 121.170 121.170 121.663 -0.493 18152 10483 1 15 . 1 1 127 127 TYR HA H 127 3.947 3.947 4.197 -0.250 18152 10484 1 15 . 1 1 127 127 TYR C C 127 175.022 175.022 175.433 -0.411 18152 10485 1 15 . 1 1 127 127 TYR CA C 127 58.734 58.734 59.355 -0.621 18152 10486 1 15 . 1 1 127 127 TYR CB C 127 39.330 39.330 38.781 0.549 18152 10487 1 15 . 1 1 127 127 TYR H H 127 7.196 7.196 7.837 -0.641 18152 10488 1 15 . 1 1 128 128 ILE N N 128 127.293 127.293 119.259 8.034 18152 10489 1 15 . 1 1 128 128 ILE HA H 128 4.081 4.081 3.622 0.459 18152 10490 1 15 . 1 1 128 128 ILE C C 128 174.579 174.579 176.913 -2.334 18152 10491 1 15 . 1 1 128 128 ILE CA C 128 60.165 60.165 62.127 -1.962 18152 10492 1 15 . 1 1 128 128 ILE CB C 128 37.120 37.120 36.011 1.109 18152 10493 1 15 . 1 1 128 128 ILE H H 128 7.634 7.634 7.979 -0.345 18152 10494 1 15 . 1 1 129 129 GLY N N 129 114.862 114.862 113.324 1.538 18152 10495 1 15 . 1 1 129 129 GLY C C 129 172.992 172.992 172.857 0.135 18152 10496 1 15 . 1 1 129 129 GLY CA C 129 43.458 43.458 45.984 -2.526 18152 10497 1 15 . 1 1 129 129 GLY H H 129 8.150 8.150 8.883 -0.733 18152 10498 1 15 . 1 1 130 130 ASP N N 130 122.165 122.165 121.999 0.166 18152 10499 1 15 . 1 1 130 130 ASP HA H 130 4.639 4.639 4.566 0.073 18152 10500 1 15 . 1 1 130 130 ASP C C 130 174.579 174.579 174.315 0.264 18152 10501 1 15 . 1 1 130 130 ASP CA C 130 53.344 53.344 52.845 0.499 18152 10502 1 15 . 1 1 130 130 ASP CB C 130 39.979 39.979 43.520 -3.541 18152 10503 1 15 . 1 1 130 130 ASP H H 130 8.541 8.541 7.936 0.605 18152 10504 1 15 . 1 1 131 131 ALA N N 131 129.087 129.087 125.897 3.190 18152 10505 1 15 . 1 1 131 131 ALA HA H 131 3.673 3.673 4.581 -0.908 18152 10506 1 15 . 1 1 131 131 ALA C C 131 176.791 176.791 176.655 0.136 18152 10507 1 15 . 1 1 131 131 ALA CA C 131 50.186 50.186 49.796 0.390 18152 10508 1 15 . 1 1 131 131 ALA CB C 131 17.692 17.692 18.940 -1.248 18152 10509 1 15 . 1 1 131 131 ALA H H 131 8.280 8.280 8.297 -0.017 18152 10510 1 15 . 1 1 133 133 ASP N N 133 117.477 117.477 113.181 4.296 18152 10511 1 15 . 1 1 133 133 ASP HA H 133 5.512 5.512 4.550 0.962 18152 10512 1 15 . 1 1 133 133 ASP C C 133 175.988 175.988 174.314 1.674 18152 10513 1 15 . 1 1 133 133 ASP CA C 133 53.067 53.067 53.148 -0.081 18152 10514 1 15 . 1 1 133 133 ASP CB C 133 45.102 45.102 41.772 3.330 18152 10515 1 15 . 1 1 133 133 ASP H H 133 7.355 7.355 7.976 -0.621 18152 10516 1 15 . 1 1 134 134 ARG N N 134 120.986 120.986 122.099 -1.113 18152 10517 1 15 . 1 1 134 134 ARG HA H 134 4.871 4.871 4.849 0.022 18152 10518 1 15 . 1 1 134 134 ARG C C 134 172.288 172.288 175.292 -3.004 18152 10519 1 15 . 1 1 134 134 ARG CA C 134 53.958 53.958 54.855 -0.897 18152 10520 1 15 . 1 1 134 134 ARG CB C 134 33.787 33.787 32.697 1.090 18152 10521 1 15 . 1 1 134 134 ARG H H 134 9.308 9.308 8.319 0.989 18152 10522 1 15 . 1 1 135 135 TYR N N 135 127.342 127.342 124.457 2.885 18152 10523 1 15 . 1 1 135 135 TYR HA H 135 4.037 4.037 4.354 -0.317 18152 10524 1 15 . 1 1 135 135 TYR C C 135 173.811 173.811 174.179 -0.368 18152 10525 1 15 . 1 1 135 135 TYR CA C 135 57.419 57.419 59.626 -2.207 18152 10526 1 15 . 1 1 135 135 TYR CB C 135 40.515 40.515 39.918 0.597 18152 10527 1 15 . 1 1 135 135 TYR H H 135 8.867 8.867 8.592 0.275 18152 10528 1 15 . 1 1 136 136 ILE N N 136 128.458 128.458 125.868 2.590 18152 10529 1 15 . 1 1 136 136 ILE HA H 136 4.133 4.133 4.480 -0.347 18152 10530 1 15 . 1 1 136 136 ILE C C 136 173.610 173.610 173.825 -0.215 18152 10531 1 15 . 1 1 136 136 ILE CA C 136 58.968 58.968 58.699 0.269 18152 10532 1 15 . 1 1 136 136 ILE CB C 136 40.998 40.998 38.473 2.525 18152 10533 1 15 . 1 1 136 136 ILE H H 136 8.569 8.569 8.394 0.175 18152 10534 1 15 . 1 1 137 137 ILE N N 137 123.623 123.623 128.843 -5.220 18152 10535 1 15 . 1 1 137 137 ILE HA H 137 4.330 4.330 4.086 0.244 18152 10536 1 15 . 1 1 137 137 ILE C C 137 173.524 173.524 173.721 -0.197 18152 10537 1 15 . 1 1 137 137 ILE CA C 137 59.873 59.873 59.892 -0.019 18152 10538 1 15 . 1 1 137 137 ILE CB C 137 40.767 40.767 40.157 0.610 18152 10539 1 15 . 1 1 137 137 ILE H H 137 8.263 8.263 8.795 -0.532 18152 10540 1 15 . 1 1 138 138 GLU N N 138 127.009 127.009 129.578 -2.569 18152 10541 1 15 . 1 1 138 138 GLU HA H 138 5.219 5.219 4.820 0.399 18152 10542 1 15 . 1 1 138 138 GLU C C 138 175.383 175.383 174.686 0.697 18152 10543 1 15 . 1 1 138 138 GLU CA C 138 54.895 54.895 54.861 0.034 18152 10544 1 15 . 1 1 138 138 GLU CB C 138 33.904 33.904 32.603 1.301 18152 10545 1 15 . 1 1 138 138 GLU H H 138 9.166 9.166 7.971 1.195 18152 10546 1 15 . 1 1 139 139 ALA N N 139 132.785 132.785 127.458 5.327 18152 10547 1 15 . 1 1 139 139 ALA HA H 139 5.231 5.231 5.350 -0.119 18152 10548 1 15 . 1 1 139 139 ALA C C 139 173.789 173.789 175.094 -1.305 18152 10549 1 15 . 1 1 139 139 ALA CA C 139 50.197 50.197 50.851 -0.654 18152 10550 1 15 . 1 1 139 139 ALA CB C 139 24.262 24.262 23.453 0.809 18152 10551 1 15 . 1 1 139 139 ALA H H 139 10.313 10.313 8.689 1.624 18152 10552 1 15 . 1 1 140 140 LYS N N 140 120.672 120.672 122.056 -1.384 18152 10553 1 15 . 1 1 140 140 LYS HA H 140 5.062 5.062 5.091 -0.029 18152 10554 1 15 . 1 1 140 140 LYS C C 140 175.807 175.807 175.034 0.773 18152 10555 1 15 . 1 1 140 140 LYS CA C 140 54.250 54.250 54.179 0.071 18152 10556 1 15 . 1 1 140 140 LYS CB C 140 34.937 34.937 37.046 -2.109 18152 10557 1 15 . 1 1 140 140 LYS H H 140 8.507 8.507 8.622 -0.115 18152 10558 1 15 . 1 1 141 141 LEU N N 141 126.557 126.557 127.420 -0.863 18152 10559 1 15 . 1 1 141 141 LEU HA H 141 4.107 4.107 4.091 0.016 18152 10560 1 15 . 1 1 141 141 LEU C C 141 177.236 177.236 176.948 0.288 18152 10561 1 15 . 1 1 141 141 LEU CA C 141 56.169 56.169 55.406 0.763 18152 10562 1 15 . 1 1 141 141 LEU CB C 141 42.408 42.408 42.189 0.219 18152 10563 1 15 . 1 1 141 141 LEU H H 141 7.560 7.560 8.349 -0.789 18152 10564 1 15 . 1 1 142 142 THR N N 142 119.454 119.454 120.130 -0.676 18152 10565 1 15 . 1 1 142 142 THR HA H 142 4.522 4.522 4.406 0.116 18152 10566 1 15 . 1 1 142 142 THR C C 142 175.187 175.187 174.856 0.331 18152 10567 1 15 . 1 1 142 142 THR CA C 142 60.915 60.915 61.947 -1.032 18152 10568 1 15 . 1 1 142 142 THR CB C 142 69.490 69.490 70.116 -0.626 18152 10569 1 15 . 1 1 142 142 THR H H 142 9.562 9.562 9.130 0.432 18152 10570 1 15 . 1 1 143 143 GLY N N 143 109.946 109.946 109.727 0.219 18152 10571 1 15 . 1 1 143 143 GLY C C 143 170.713 170.713 172.139 -1.426 18152 10572 1 15 . 1 1 143 143 GLY CA C 143 45.254 45.254 44.220 1.034 18152 10573 1 15 . 1 1 143 143 GLY H H 143 7.513 7.513 7.591 -0.078 18152 10574 1 15 . 1 1 144 144 SER N N 144 112.778 112.778 113.087 -0.309 18152 10575 1 15 . 1 1 144 144 SER HA H 144 5.059 5.059 5.015 0.044 18152 10576 1 15 . 1 1 144 144 SER C C 144 173.178 173.178 172.189 0.989 18152 10577 1 15 . 1 1 144 144 SER CA C 144 56.393 56.393 56.852 -0.459 18152 10578 1 15 . 1 1 144 144 SER CB C 144 65.587 65.587 65.753 -0.166 18152 10579 1 15 . 1 1 144 144 SER H H 144 7.877 7.877 7.900 -0.023 18152 10580 1 15 . 1 1 145 145 TYR N N 145 119.351 119.351 119.198 0.153 18152 10581 1 15 . 1 1 145 145 TYR HA H 145 4.755 4.755 4.695 0.060 18152 10582 1 15 . 1 1 145 145 TYR C C 145 174.580 174.580 174.346 0.234 18152 10583 1 15 . 1 1 145 145 TYR CA C 145 56.413 56.413 57.014 -0.601 18152 10584 1 15 . 1 1 145 145 TYR CB C 145 40.096 40.096 43.587 -3.491 18152 10585 1 15 . 1 1 145 145 TYR H H 145 8.374 8.374 8.317 0.057 18152 10586 1 15 . 1 1 146 146 SER N N 146 117.533 117.533 115.314 2.219 18152 10587 1 15 . 1 1 146 146 SER HA H 146 4.564 4.564 4.782 -0.218 18152 10588 1 15 . 1 1 146 146 SER CA C 146 58.000 58.000 57.325 0.675 18152 10589 1 15 . 1 1 146 146 SER CB C 146 63.905 63.905 65.198 -1.293 18152 10590 1 15 . 1 1 146 146 SER H H 146 8.502 8.502 8.585 -0.083 18152 10591 1 16 . 1 1 7 7 GLN N N 7 122.485 122.485 123.370 -0.885 18152 10592 1 16 . 1 1 7 7 GLN CA C 7 55.218 55.218 54.997 0.221 18152 10593 1 16 . 1 1 7 7 GLN CB C 7 28.842 28.842 30.135 -1.293 18152 10594 1 16 . 1 1 7 7 GLN H H 7 8.175 8.175 8.512 -0.337 18152 10595 1 16 . 1 1 8 8 THR N N 8 115.244 115.244 115.558 -0.314 18152 10596 1 16 . 1 1 8 8 THR HA H 8 4.189 4.189 4.039 0.150 18152 10597 1 16 . 1 1 8 8 THR C C 8 173.961 173.961 175.748 -1.787 18152 10598 1 16 . 1 1 8 8 THR CA C 8 61.486 61.486 64.689 -3.203 18152 10599 1 16 . 1 1 8 8 THR CB C 8 69.316 69.316 68.898 0.418 18152 10600 1 16 . 1 1 8 8 THR H H 8 8.027 8.027 8.450 -0.423 18152 10601 1 16 . 1 1 9 9 GLU N N 9 123.496 123.496 118.981 4.515 18152 10602 1 16 . 1 1 9 9 GLU HA H 9 4.060 4.060 3.520 0.540 18152 10603 1 16 . 1 1 9 9 GLU C C 9 175.555 175.555 175.361 0.194 18152 10604 1 16 . 1 1 9 9 GLU CA C 9 55.868 55.868 58.319 -2.451 18152 10605 1 16 . 1 1 9 9 GLU CB C 9 29.611 29.611 29.292 0.319 18152 10606 1 16 . 1 1 9 9 GLU H H 9 8.225 8.225 8.423 -0.198 18152 10607 1 16 . 1 1 10 10 HIS N N 10 119.084 119.084 116.407 2.677 18152 10608 1 16 . 1 1 10 10 HIS HA H 10 4.384 4.384 4.458 -0.074 18152 10609 1 16 . 1 1 10 10 HIS C C 10 173.742 173.742 174.126 -0.384 18152 10610 1 16 . 1 1 10 10 HIS CA C 10 53.932 53.932 54.428 -0.496 18152 10611 1 16 . 1 1 10 10 HIS CB C 10 28.922 28.922 29.337 -0.415 18152 10612 1 16 . 1 1 10 10 HIS H H 10 7.357 7.357 8.223 -0.866 18152 10613 1 16 . 1 1 11 11 LYS N N 11 121.509 121.509 121.651 -0.142 18152 10614 1 16 . 1 1 11 11 LYS HA H 11 4.469 4.469 4.479 -0.010 18152 10615 1 16 . 1 1 11 11 LYS C C 11 176.210 176.210 176.751 -0.541 18152 10616 1 16 . 1 1 11 11 LYS CA C 11 54.245 54.245 55.334 -1.089 18152 10617 1 16 . 1 1 11 11 LYS CB C 11 33.548 33.548 33.136 0.412 18152 10618 1 16 . 1 1 11 11 LYS H H 11 8.409 8.409 7.538 0.871 18152 10619 1 16 . 1 1 12 12 GLU N N 12 123.025 123.025 121.076 1.949 18152 10620 1 16 . 1 1 12 12 GLU HA H 12 4.240 4.240 4.384 -0.144 18152 10621 1 16 . 1 1 12 12 GLU C C 12 178.023 178.023 177.976 0.047 18152 10622 1 16 . 1 1 12 12 GLU CA C 12 58.350 58.350 58.126 0.224 18152 10623 1 16 . 1 1 12 12 GLU CB C 12 29.254 29.254 29.654 -0.400 18152 10624 1 16 . 1 1 12 12 GLU H H 12 8.929 8.929 8.594 0.335 18152 10625 1 16 . 1 1 13 13 GLY N N 13 113.216 113.216 113.108 0.108 18152 10626 1 16 . 1 1 13 13 GLY C C 13 174.141 174.141 174.062 0.079 18152 10627 1 16 . 1 1 13 13 GLY CA C 13 45.243 45.243 45.352 -0.109 18152 10628 1 16 . 1 1 13 13 GLY H H 13 9.714 9.714 9.496 0.218 18152 10629 1 16 . 1 1 14 14 GLU N N 14 120.782 120.782 120.412 0.370 18152 10630 1 16 . 1 1 14 14 GLU HA H 14 4.472 4.472 4.859 -0.387 18152 10631 1 16 . 1 1 14 14 GLU C C 14 176.436 176.436 175.826 0.610 18152 10632 1 16 . 1 1 14 14 GLU CA C 14 55.641 55.641 54.269 1.372 18152 10633 1 16 . 1 1 14 14 GLU CB C 14 30.989 30.989 32.334 -1.345 18152 10634 1 16 . 1 1 14 14 GLU H H 14 8.289 8.289 7.893 0.396 18152 10635 1 16 . 1 1 15 15 LYS N N 15 125.126 125.126 125.845 -0.719 18152 10636 1 16 . 1 1 15 15 LYS HA H 15 4.100 4.100 3.380 0.720 18152 10637 1 16 . 1 1 15 15 LYS C C 15 176.970 176.970 176.208 0.762 18152 10638 1 16 . 1 1 15 15 LYS CA C 15 57.098 57.098 56.950 0.148 18152 10639 1 16 . 1 1 15 15 LYS CB C 15 31.680 31.680 31.084 0.596 18152 10640 1 16 . 1 1 15 15 LYS H H 15 8.978 8.978 8.890 0.088 18152 10641 1 16 . 1 1 16 16 VAL N N 16 119.214 119.214 119.351 -0.137 18152 10642 1 16 . 1 1 16 16 VAL HA H 16 4.572 4.572 4.041 0.531 18152 10643 1 16 . 1 1 16 16 VAL C C 16 174.148 174.148 174.684 -0.536 18152 10644 1 16 . 1 1 16 16 VAL CA C 16 60.141 60.141 61.944 -1.802 18152 10645 1 16 . 1 1 16 16 VAL CB C 16 34.881 34.881 32.974 1.907 18152 10646 1 16 . 1 1 16 16 VAL H H 16 8.976 8.976 7.679 1.297 18152 10647 1 16 . 1 1 17 17 ALA N N 17 121.368 121.368 119.965 1.403 18152 10648 1 16 . 1 1 17 17 ALA HA H 17 5.186 5.186 5.210 -0.024 18152 10649 1 16 . 1 1 17 17 ALA C C 17 174.664 174.664 174.938 -0.274 18152 10650 1 16 . 1 1 17 17 ALA CA C 17 51.098 51.098 49.755 1.343 18152 10651 1 16 . 1 1 17 17 ALA CB C 17 22.853 22.853 22.491 0.362 18152 10652 1 16 . 1 1 17 17 ALA H H 17 8.069 8.069 7.544 0.525 18152 10653 1 16 . 1 1 18 18 MET N N 18 116.475 116.475 119.951 -3.476 18152 10654 1 16 . 1 1 18 18 MET HA H 18 5.303 5.303 5.087 0.216 18152 10655 1 16 . 1 1 18 18 MET C C 18 174.413 174.413 174.195 0.218 18152 10656 1 16 . 1 1 18 18 MET CA C 18 53.607 53.607 54.756 -1.149 18152 10657 1 16 . 1 1 18 18 MET CB C 18 35.038 35.038 36.805 -1.767 18152 10658 1 16 . 1 1 18 18 MET H H 18 8.142 8.142 8.288 -0.146 18152 10659 1 16 . 1 1 19 19 LEU N N 19 126.244 126.244 128.600 -2.356 18152 10660 1 16 . 1 1 19 19 LEU HA H 19 5.268 5.268 5.319 -0.051 18152 10661 1 16 . 1 1 19 19 LEU C C 19 173.617 173.617 174.321 -0.704 18152 10662 1 16 . 1 1 19 19 LEU CA C 19 52.851 52.851 53.794 -0.943 18152 10663 1 16 . 1 1 19 19 LEU CB C 19 44.705 44.705 44.298 0.407 18152 10664 1 16 . 1 1 19 19 LEU H H 19 9.369 9.369 9.269 0.100 18152 10665 1 16 . 1 1 20 20 ASN N N 20 126.596 126.596 125.851 0.745 18152 10666 1 16 . 1 1 20 20 ASN HA H 20 5.340 5.340 5.264 0.076 18152 10667 1 16 . 1 1 20 20 ASN C C 20 174.316 174.316 173.741 0.575 18152 10668 1 16 . 1 1 20 20 ASN CA C 20 51.344 51.344 51.732 -0.388 18152 10669 1 16 . 1 1 20 20 ASN CB C 20 40.972 40.972 42.142 -1.169 18152 10670 1 16 . 1 1 20 20 ASN H H 20 10.032 10.032 9.413 0.619 18152 10671 1 16 . 1 1 21 21 ILE N N 21 123.799 123.799 124.723 -0.924 18152 10672 1 16 . 1 1 21 21 ILE HA H 21 4.829 4.829 4.882 -0.053 18152 10673 1 16 . 1 1 21 21 ILE C C 21 174.409 174.409 174.656 -0.247 18152 10674 1 16 . 1 1 21 21 ILE CA C 21 58.243 58.243 57.953 0.290 18152 10675 1 16 . 1 1 21 21 ILE CB C 21 37.477 37.477 39.638 -2.161 18152 10676 1 16 . 1 1 21 21 ILE H H 21 8.614 8.614 9.036 -0.422 18152 10677 1 16 . 1 1 22 22 PRO HA H 22 4.178 4.178 4.410 -0.232 18152 10678 1 16 . 1 1 22 22 PRO CA C 22 65.629 65.629 65.370 0.259 18152 10679 1 16 . 1 1 22 22 PRO CB C 22 31.806 31.806 32.021 -0.215 18152 10680 1 16 . 1 1 23 23 LYS N N 23 118.170 118.170 121.800 -3.630 18152 10681 1 16 . 1 1 23 23 LYS HA H 23 3.943 3.943 4.143 -0.200 18152 10682 1 16 . 1 1 23 23 LYS C C 23 177.231 177.231 177.270 -0.039 18152 10683 1 16 . 1 1 23 23 LYS CA C 23 58.643 58.643 58.397 0.247 18152 10684 1 16 . 1 1 23 23 LYS CB C 23 33.171 33.171 31.989 1.182 18152 10685 1 16 . 1 1 23 23 LYS H H 23 9.365 9.365 8.501 0.864 18152 10686 1 16 . 1 1 24 24 LEU N N 24 111.984 111.984 117.770 -5.786 18152 10687 1 16 . 1 1 24 24 LEU HA H 24 4.319 4.319 4.476 -0.157 18152 10688 1 16 . 1 1 24 24 LEU C C 24 175.562 175.562 176.216 -0.654 18152 10689 1 16 . 1 1 24 24 LEU CA C 24 52.965 52.965 54.102 -1.137 18152 10690 1 16 . 1 1 24 24 LEU CB C 24 42.473 42.473 41.034 1.439 18152 10691 1 16 . 1 1 24 24 LEU H H 24 6.919 6.919 7.895 -0.976 18152 10692 1 16 . 1 1 25 25 LYS N N 25 115.814 115.814 118.397 -2.583 18152 10693 1 16 . 1 1 25 25 LYS HA H 25 3.849 3.849 4.021 -0.172 18152 10694 1 16 . 1 1 25 25 LYS C C 25 175.297 175.297 175.622 -0.325 18152 10695 1 16 . 1 1 25 25 LYS CA C 25 56.598 56.598 57.390 -0.792 18152 10696 1 16 . 1 1 25 25 LYS CB C 25 28.918 28.918 29.349 -0.431 18152 10697 1 16 . 1 1 25 25 LYS H H 25 7.912 7.912 7.667 0.245 18152 10698 1 16 . 1 1 26 26 LYS N N 26 115.145 115.145 117.760 -2.615 18152 10699 1 16 . 1 1 26 26 LYS HA H 26 4.559 4.559 4.463 0.096 18152 10700 1 16 . 1 1 26 26 LYS C C 26 173.961 173.961 173.643 0.318 18152 10701 1 16 . 1 1 26 26 LYS CA C 26 53.788 53.788 54.561 -0.773 18152 10702 1 16 . 1 1 26 26 LYS CB C 26 37.483 37.483 36.330 1.153 18152 10703 1 16 . 1 1 26 26 LYS H H 26 6.765 6.765 8.328 -1.563 18152 10704 1 16 . 1 1 27 27 LYS N N 27 119.758 119.758 119.108 0.650 18152 10705 1 16 . 1 1 27 27 LYS HA H 27 5.452 5.452 4.832 0.620 18152 10706 1 16 . 1 1 27 27 LYS C C 27 175.482 175.482 174.917 0.565 18152 10707 1 16 . 1 1 27 27 LYS CA C 27 53.883 53.883 54.882 -0.999 18152 10708 1 16 . 1 1 27 27 LYS CB C 27 35.855 35.855 36.201 -0.346 18152 10709 1 16 . 1 1 27 27 LYS H H 27 7.885 7.885 7.808 0.077 18152 10710 1 16 . 1 1 28 28 PHE N N 28 119.077 119.077 121.294 -2.217 18152 10711 1 16 . 1 1 28 28 PHE HA H 28 4.871 4.871 4.857 0.014 18152 10712 1 16 . 1 1 28 28 PHE C C 28 175.477 175.477 174.458 1.019 18152 10713 1 16 . 1 1 28 28 PHE CA C 28 56.100 56.100 56.452 -0.352 18152 10714 1 16 . 1 1 28 28 PHE CB C 28 42.734 42.734 43.302 -0.568 18152 10715 1 16 . 1 1 28 28 PHE H H 28 9.397 9.397 9.419 -0.022 18152 10716 1 16 . 1 1 29 29 SER N N 29 121.189 121.189 118.522 2.667 18152 10717 1 16 . 1 1 29 29 SER HA H 29 4.848 4.848 4.603 0.245 18152 10718 1 16 . 1 1 29 29 SER C C 29 172.010 172.010 174.020 -2.010 18152 10719 1 16 . 1 1 29 29 SER CA C 29 59.961 59.961 57.827 2.134 18152 10720 1 16 . 1 1 29 29 SER CB C 29 64.433 64.433 63.401 1.032 18152 10721 1 16 . 1 1 29 29 SER H H 29 9.010 9.010 8.822 0.188 18152 10722 1 16 . 1 1 30 30 ILE N N 30 120.881 120.881 125.632 -4.751 18152 10723 1 16 . 1 1 30 30 ILE HA H 30 4.942 4.942 4.265 0.677 18152 10724 1 16 . 1 1 30 30 ILE C C 30 174.874 174.874 175.054 -0.180 18152 10725 1 16 . 1 1 30 30 ILE CA C 30 57.775 57.775 59.551 -1.776 18152 10726 1 16 . 1 1 30 30 ILE CB C 30 38.001 38.001 37.042 0.959 18152 10727 1 16 . 1 1 30 30 ILE H H 30 8.084 8.084 8.257 -0.173 18152 10728 1 16 . 1 1 31 31 TYR N N 31 127.573 127.573 127.015 0.558 18152 10729 1 16 . 1 1 31 31 TYR HA H 31 5.299 5.299 4.895 0.404 18152 10730 1 16 . 1 1 31 31 TYR C C 31 174.806 174.806 175.868 -1.062 18152 10731 1 16 . 1 1 31 31 TYR CA C 31 56.120 56.120 56.821 -0.701 18152 10732 1 16 . 1 1 31 31 TYR CB C 31 41.139 41.139 40.802 0.337 18152 10733 1 16 . 1 1 31 31 TYR H H 31 9.174 9.174 8.446 0.728 18152 10734 1 16 . 1 1 32 32 TRP N N 32 121.993 121.993 125.763 -3.770 18152 10735 1 16 . 1 1 32 32 TRP HA H 32 4.583 4.583 4.556 0.027 18152 10736 1 16 . 1 1 32 32 TRP C C 32 175.194 175.194 175.454 -0.260 18152 10737 1 16 . 1 1 32 32 TRP CA C 32 57.396 57.396 59.794 -2.398 18152 10738 1 16 . 1 1 32 32 TRP CB C 32 29.670 29.670 30.839 -1.169 18152 10739 1 16 . 1 1 32 32 TRP H H 32 9.007 9.007 9.047 -0.040 18152 10740 1 16 . 1 1 33 33 GLY N N 33 120.470 120.470 112.860 7.610 18152 10741 1 16 . 1 1 33 33 GLY C C 33 171.936 171.936 172.234 -0.298 18152 10742 1 16 . 1 1 33 33 GLY CA C 33 44.532 44.532 44.546 -0.014 18152 10743 1 16 . 1 1 33 33 GLY H H 33 7.758 7.758 7.870 -0.112 18152 10744 1 16 . 1 1 34 34 ALA N N 34 120.239 120.239 126.395 -6.156 18152 10745 1 16 . 1 1 34 34 ALA HA H 34 4.447 4.447 4.377 0.070 18152 10746 1 16 . 1 1 34 34 ALA C C 34 176.174 176.174 176.264 -0.090 18152 10747 1 16 . 1 1 34 34 ALA CA C 34 49.913 49.913 50.781 -0.868 18152 10748 1 16 . 1 1 34 34 ALA CB C 34 18.955 18.955 19.168 -0.213 18152 10749 1 16 . 1 1 34 34 ALA H H 34 7.883 7.883 7.915 -0.033 18152 10750 1 16 . 1 1 35 35 ASP N N 35 118.828 118.828 124.069 -5.241 18152 10751 1 16 . 1 1 35 35 ASP HA H 35 4.450 4.450 4.628 -0.178 18152 10752 1 16 . 1 1 35 35 ASP C C 35 175.990 175.990 175.898 0.092 18152 10753 1 16 . 1 1 35 35 ASP CA C 35 53.030 53.030 54.191 -1.161 18152 10754 1 16 . 1 1 35 35 ASP CB C 35 41.508 41.508 42.350 -0.842 18152 10755 1 16 . 1 1 35 35 ASP H H 35 7.944 7.944 8.003 -0.059 18152 10756 1 16 . 1 1 36 36 ASP N N 36 121.051 121.051 122.795 -1.744 18152 10757 1 16 . 1 1 36 36 ASP HA H 36 4.335 4.335 4.526 -0.191 18152 10758 1 16 . 1 1 36 36 ASP C C 36 177.296 177.296 177.013 0.283 18152 10759 1 16 . 1 1 36 36 ASP CA C 36 55.183 55.183 54.517 0.666 18152 10760 1 16 . 1 1 36 36 ASP CB C 36 39.837 39.837 41.026 -1.189 18152 10761 1 16 . 1 1 36 36 ASP H H 36 8.509 8.509 8.544 -0.035 18152 10762 1 16 . 1 1 37 37 ALA N N 37 119.568 119.568 120.984 -1.416 18152 10763 1 16 . 1 1 37 37 ALA HA H 37 4.060 4.060 4.196 -0.136 18152 10764 1 16 . 1 1 37 37 ALA C C 37 179.598 179.598 177.840 1.758 18152 10765 1 16 . 1 1 37 37 ALA CA C 37 53.967 53.967 53.509 0.458 18152 10766 1 16 . 1 1 37 37 ALA CB C 37 18.009 18.009 18.794 -0.785 18152 10767 1 16 . 1 1 37 37 ALA H H 37 8.169 8.169 7.803 0.366 18152 10768 1 16 . 1 1 38 38 THR HA H 38 3.850 3.850 4.236 -0.386 18152 10769 1 16 . 1 1 38 38 THR CA C 38 68.437 68.437 61.522 6.915 18152 10770 1 16 . 1 1 38 38 THR CB C 38 72.916 72.916 69.700 3.216 18152 10771 1 16 . 1 1 38 38 THR H H 38 7.621 7.621 7.520 0.101 18152 10772 1 16 . 1 1 42 42 GLY N N 42 106.310 106.310 107.113 -0.803 18152 10773 1 16 . 1 1 42 42 GLY CA C 42 46.480 46.480 45.058 1.422 18152 10774 1 16 . 1 1 43 43 VAL N N 43 121.961 121.961 120.167 1.794 18152 10775 1 16 . 1 1 43 43 VAL HA H 43 4.481 4.481 4.740 -0.259 18152 10776 1 16 . 1 1 43 43 VAL C C 43 174.308 174.308 175.402 -1.094 18152 10777 1 16 . 1 1 43 43 VAL CA C 43 61.079 61.079 60.878 0.201 18152 10778 1 16 . 1 1 43 43 VAL CB C 43 32.911 32.911 30.496 2.415 18152 10779 1 16 . 1 1 43 43 VAL H H 43 8.247 8.247 7.489 0.758 18152 10780 1 16 . 1 1 44 44 GLY N N 44 114.325 114.325 114.069 0.256 18152 10781 1 16 . 1 1 44 44 GLY C C 44 172.465 172.465 171.864 0.601 18152 10782 1 16 . 1 1 44 44 GLY CA C 44 43.458 43.458 43.661 -0.203 18152 10783 1 16 . 1 1 44 44 GLY H H 44 9.063 9.063 8.136 0.927 18152 10784 1 16 . 1 1 45 45 MET N N 45 125.031 125.031 120.967 4.064 18152 10785 1 16 . 1 1 45 45 MET HA H 45 4.742 4.742 4.803 -0.061 18152 10786 1 16 . 1 1 45 45 MET C C 45 173.873 173.873 174.114 -0.241 18152 10787 1 16 . 1 1 45 45 MET CA C 45 54.084 54.084 55.092 -1.008 18152 10788 1 16 . 1 1 45 45 MET CB C 45 34.548 34.548 35.564 -1.016 18152 10789 1 16 . 1 1 45 45 MET H H 45 8.966 8.966 9.158 -0.192 18152 10790 1 16 . 1 1 46 46 PHE N N 46 127.637 127.637 125.057 2.580 18152 10791 1 16 . 1 1 46 46 PHE HA H 46 3.611 3.611 4.342 -0.731 18152 10792 1 16 . 1 1 46 46 PHE C C 46 175.023 175.023 174.383 0.640 18152 10793 1 16 . 1 1 46 46 PHE CA C 46 59.286 59.286 58.656 0.630 18152 10794 1 16 . 1 1 46 46 PHE CB C 46 40.644 40.644 39.960 0.684 18152 10795 1 16 . 1 1 46 46 PHE H H 46 8.790 8.790 8.599 0.191 18152 10796 1 16 . 1 1 47 47 VAL N N 47 130.695 130.695 126.801 3.894 18152 10797 1 16 . 1 1 47 47 VAL HA H 47 3.663 3.663 4.031 -0.368 18152 10798 1 16 . 1 1 47 47 VAL C C 47 174.235 174.235 174.575 -0.340 18152 10799 1 16 . 1 1 47 47 VAL CA C 47 61.455 61.455 61.896 -0.441 18152 10800 1 16 . 1 1 47 47 VAL CB C 47 32.002 32.002 32.249 -0.247 18152 10801 1 16 . 1 1 47 47 VAL H H 47 7.942 7.942 7.832 0.110 18152 10802 1 16 . 1 1 48 48 SER N N 48 120.391 120.391 123.648 -3.257 18152 10803 1 16 . 1 1 48 48 SER HA H 48 4.626 4.626 4.680 -0.054 18152 10804 1 16 . 1 1 48 48 SER C C 48 173.167 173.167 173.942 -0.775 18152 10805 1 16 . 1 1 48 48 SER CA C 48 57.384 57.384 57.946 -0.562 18152 10806 1 16 . 1 1 48 48 SER CB C 48 65.720 65.720 65.314 0.406 18152 10807 1 16 . 1 1 48 48 SER H H 48 7.971 7.971 8.426 -0.455 18152 10808 1 16 . 1 1 49 49 ASP N N 49 117.498 117.498 119.410 -1.912 18152 10809 1 16 . 1 1 49 49 ASP HA H 49 4.603 4.603 4.634 -0.031 18152 10810 1 16 . 1 1 49 49 ASP C C 49 174.539 174.539 176.662 -2.123 18152 10811 1 16 . 1 1 49 49 ASP CA C 49 55.222 55.222 56.101 -0.879 18152 10812 1 16 . 1 1 49 49 ASP CB C 49 40.206 40.206 40.927 -0.721 18152 10813 1 16 . 1 1 49 49 ASP H H 49 8.701 8.701 8.746 -0.045 18152 10814 1 16 . 1 1 50 50 VAL N N 50 109.465 109.465 112.960 -3.495 18152 10815 1 16 . 1 1 50 50 VAL HA H 50 4.455 4.455 4.527 -0.072 18152 10816 1 16 . 1 1 50 50 VAL C C 50 174.487 174.487 175.897 -1.410 18152 10817 1 16 . 1 1 50 50 VAL CA C 50 60.840 60.840 62.189 -1.349 18152 10818 1 16 . 1 1 50 50 VAL CB C 50 32.067 32.067 32.478 -0.411 18152 10819 1 16 . 1 1 50 50 VAL H H 50 7.770 7.770 7.557 0.213 18152 10820 1 16 . 1 1 51 51 THR N N 51 110.572 110.572 116.987 -6.415 18152 10821 1 16 . 1 1 51 51 THR HA H 51 5.293 5.293 4.458 0.835 18152 10822 1 16 . 1 1 51 51 THR C C 51 174.591 174.591 174.378 0.213 18152 10823 1 16 . 1 1 51 51 THR CA C 51 58.487 58.487 61.629 -3.142 18152 10824 1 16 . 1 1 51 51 THR CB C 51 71.674 71.674 69.428 2.246 18152 10825 1 16 . 1 1 51 51 THR H H 51 7.095 7.095 8.091 -0.996 18152 10826 1 16 . 1 1 52 52 THR N N 52 109.706 109.706 118.876 -9.170 18152 10827 1 16 . 1 1 52 52 THR HA H 52 4.988 4.988 4.839 0.149 18152 10828 1 16 . 1 1 52 52 THR C C 52 177.060 177.060 173.298 3.762 18152 10829 1 16 . 1 1 52 52 THR CA C 52 59.777 59.777 60.314 -0.537 18152 10830 1 16 . 1 1 52 52 THR CB C 52 72.911 72.911 71.496 1.415 18152 10831 1 16 . 1 1 52 52 THR H H 52 8.836 8.836 8.896 -0.060 18152 10832 1 16 . 1 1 53 53 THR N N 53 113.970 113.970 116.428 -2.458 18152 10833 1 16 . 1 1 53 53 THR HA H 53 4.601 4.601 4.780 -0.179 18152 10834 1 16 . 1 1 53 53 THR C C 53 176.085 176.085 173.154 2.931 18152 10835 1 16 . 1 1 53 53 THR CA C 53 60.920 60.920 59.333 1.587 18152 10836 1 16 . 1 1 53 53 THR CB C 53 67.192 67.192 69.885 -2.693 18152 10837 1 16 . 1 1 53 53 THR H H 53 8.857 8.857 8.415 0.442 18152 10838 1 16 . 1 1 54 54 PRO HA H 54 4.023 4.023 4.504 -0.481 18152 10839 1 16 . 1 1 54 54 PRO CA C 54 64.658 64.658 62.479 2.179 18152 10840 1 16 . 1 1 54 54 PRO CB C 54 29.665 29.665 30.475 -0.810 18152 10841 1 16 . 1 1 55 55 SER N N 55 105.932 105.932 116.552 -10.620 18152 10842 1 16 . 1 1 55 55 SER HA H 55 4.448 4.448 4.174 0.274 18152 10843 1 16 . 1 1 55 55 SER C C 55 176.253 176.253 173.956 2.297 18152 10844 1 16 . 1 1 55 55 SER CA C 55 58.086 58.086 57.536 0.550 18152 10845 1 16 . 1 1 55 55 SER CB C 55 62.950 62.950 64.518 -1.568 18152 10846 1 16 . 1 1 55 55 SER H H 55 6.879 6.879 7.865 -0.986 18152 10847 1 16 . 1 1 56 56 GLY N N 56 109.826 109.826 109.313 0.513 18152 10848 1 16 . 1 1 56 56 GLY C C 56 175.832 175.832 174.158 1.674 18152 10849 1 16 . 1 1 56 56 GLY CA C 56 45.213 45.213 45.489 -0.276 18152 10850 1 16 . 1 1 56 56 GLY H H 56 7.733 7.733 7.301 0.432 18152 10851 1 16 . 1 1 57 57 GLY N N 57 105.805 105.805 110.887 -5.082 18152 10852 1 16 . 1 1 57 57 GLY C C 57 172.905 172.905 173.544 -0.639 18152 10853 1 16 . 1 1 57 57 GLY CA C 57 46.480 46.480 45.578 0.902 18152 10854 1 16 . 1 1 57 57 GLY H H 57 7.481 7.481 8.648 -1.167 18152 10855 1 16 . 1 1 58 58 GLY N N 58 109.086 109.086 109.673 -0.587 18152 10856 1 16 . 1 1 58 58 GLY C C 58 172.807 172.807 172.466 0.341 18152 10857 1 16 . 1 1 58 58 GLY CA C 58 43.642 43.642 44.487 -0.845 18152 10858 1 16 . 1 1 58 58 GLY H H 58 7.549 7.549 7.848 -0.299 18152 10859 1 16 . 1 1 59 59 HIS N N 59 127.776 127.776 121.473 6.303 18152 10860 1 16 . 1 1 59 59 HIS HA H 59 5.162 5.162 4.721 0.441 18152 10861 1 16 . 1 1 59 59 HIS C C 59 174.930 174.930 174.347 0.583 18152 10862 1 16 . 1 1 59 59 HIS CA C 59 52.820 52.820 55.011 -2.191 18152 10863 1 16 . 1 1 59 59 HIS CB C 59 30.250 30.250 30.411 -0.161 18152 10864 1 16 . 1 1 59 59 HIS H H 59 9.517 9.517 8.811 0.706 18152 10865 1 16 . 1 1 60 60 THR N N 60 127.768 127.768 125.856 1.912 18152 10866 1 16 . 1 1 60 60 THR HA H 60 4.870 4.870 5.008 -0.138 18152 10867 1 16 . 1 1 60 60 THR C C 60 171.847 171.847 173.015 -1.168 18152 10868 1 16 . 1 1 60 60 THR CA C 60 61.358 61.358 61.515 -0.157 18152 10869 1 16 . 1 1 60 60 THR CB C 60 69.821 69.821 69.744 0.077 18152 10870 1 16 . 1 1 60 60 THR H H 60 9.769 9.769 9.264 0.505 18152 10871 1 16 . 1 1 61 61 VAL N N 61 126.493 126.493 128.199 -1.706 18152 10872 1 16 . 1 1 61 61 VAL HA H 61 4.641 4.641 4.755 -0.114 18152 10873 1 16 . 1 1 61 61 VAL C C 61 173.794 173.794 174.351 -0.557 18152 10874 1 16 . 1 1 61 61 VAL CA C 61 59.808 59.808 61.582 -1.774 18152 10875 1 16 . 1 1 61 61 VAL CB C 61 33.334 33.334 33.183 0.151 18152 10876 1 16 . 1 1 61 61 VAL H H 61 8.534 8.534 8.721 -0.187 18152 10877 1 16 . 1 1 62 62 LEU N N 62 126.342 126.342 127.577 -1.235 18152 10878 1 16 . 1 1 62 62 LEU HA H 62 5.345 5.345 5.334 0.011 18152 10879 1 16 . 1 1 62 62 LEU C C 62 175.554 175.554 175.542 0.012 18152 10880 1 16 . 1 1 62 62 LEU CA C 62 51.143 51.143 52.858 -1.715 18152 10881 1 16 . 1 1 62 62 LEU CB C 62 43.344 43.344 46.026 -2.682 18152 10882 1 16 . 1 1 62 62 LEU H H 62 9.284 9.284 9.446 -0.162 18152 10883 1 16 . 1 1 63 63 SER N N 63 116.370 116.370 114.248 2.122 18152 10884 1 16 . 1 1 63 63 SER HA H 63 5.328 5.328 5.927 -0.599 18152 10885 1 16 . 1 1 63 63 SER C C 63 174.576 174.576 173.669 0.907 18152 10886 1 16 . 1 1 63 63 SER CA C 63 54.893 54.893 56.576 -1.683 18152 10887 1 16 . 1 1 63 63 SER CB C 63 64.901 64.901 66.686 -1.785 18152 10888 1 16 . 1 1 63 63 SER H H 63 9.117 9.117 8.548 0.569 18152 10889 1 16 . 1 1 64 64 GLY N N 64 111.783 111.783 106.950 4.833 18152 10890 1 16 . 1 1 64 64 GLY C C 64 173.058 173.058 171.502 1.556 18152 10891 1 16 . 1 1 64 64 GLY CA C 64 45.547 45.547 45.319 0.228 18152 10892 1 16 . 1 1 64 64 GLY H H 64 8.723 8.723 8.289 0.434 18152 10893 1 16 . 1 1 74 74 GLY C C 74 173.703 173.703 175.443 -1.740 18152 10894 1 16 . 1 1 74 74 GLY CA C 74 45.507 45.507 45.982 -0.475 18152 10895 1 16 . 1 1 75 75 GLN N N 75 116.093 116.093 119.576 -3.483 18152 10896 1 16 . 1 1 75 75 GLN HA H 75 4.229 4.229 4.150 0.079 18152 10897 1 16 . 1 1 75 75 GLN C C 75 177.319 177.319 177.087 0.232 18152 10898 1 16 . 1 1 75 75 GLN CA C 75 56.016 56.016 57.552 -1.536 18152 10899 1 16 . 1 1 75 75 GLN CB C 75 29.310 29.310 29.714 -0.404 18152 10900 1 16 . 1 1 75 75 GLN H H 75 7.598 7.598 7.873 -0.275 18152 10901 1 16 . 1 1 76 76 LEU N N 76 117.894 117.894 120.771 -2.877 18152 10902 1 16 . 1 1 76 76 LEU HA H 76 4.373 4.373 4.405 -0.032 18152 10903 1 16 . 1 1 76 76 LEU C C 76 175.639 175.639 175.045 0.594 18152 10904 1 16 . 1 1 76 76 LEU CA C 76 54.578 54.578 54.748 -0.170 18152 10905 1 16 . 1 1 76 76 LEU CB C 76 41.720 41.720 39.970 1.750 18152 10906 1 16 . 1 1 76 76 LEU H H 76 7.285 7.285 8.156 -0.871 18152 10907 1 16 . 1 1 77 77 LYS N N 77 122.287 122.287 119.795 2.492 18152 10908 1 16 . 1 1 77 77 LYS HA H 77 4.545 4.545 4.431 0.114 18152 10909 1 16 . 1 1 77 77 LYS C C 77 175.553 175.553 175.845 -0.292 18152 10910 1 16 . 1 1 77 77 LYS CA C 77 53.336 53.336 55.922 -2.587 18152 10911 1 16 . 1 1 77 77 LYS CB C 77 36.380 36.380 34.122 2.258 18152 10912 1 16 . 1 1 77 77 LYS H H 77 9.513 9.513 7.561 1.952 18152 10913 1 16 . 1 1 78 78 GLU N N 78 118.949 118.949 120.775 -1.826 18152 10914 1 16 . 1 1 78 78 GLU HA H 78 3.523 3.523 4.387 -0.864 18152 10915 1 16 . 1 1 78 78 GLU C C 78 177.053 177.053 177.136 -0.083 18152 10916 1 16 . 1 1 78 78 GLU CA C 78 59.205 59.205 58.814 0.391 18152 10917 1 16 . 1 1 78 78 GLU CB C 78 28.284 28.284 29.758 -1.474 18152 10918 1 16 . 1 1 78 78 GLU H H 78 8.900 8.900 8.920 -0.020 18152 10919 1 16 . 1 1 79 79 LYS N N 79 114.843 114.843 114.971 -0.128 18152 10920 1 16 . 1 1 79 79 LYS HA H 79 3.751 3.751 4.286 -0.535 18152 10921 1 16 . 1 1 79 79 LYS C C 79 176.434 176.434 176.386 0.048 18152 10922 1 16 . 1 1 79 79 LYS CA C 79 59.231 59.231 56.830 2.401 18152 10923 1 16 . 1 1 79 79 LYS CB C 79 29.657 29.657 32.129 -2.471 18152 10924 1 16 . 1 1 79 79 LYS H H 79 8.909 8.909 7.948 0.961 18152 10925 1 16 . 1 1 80 80 ASP N N 80 119.664 119.664 120.729 -1.065 18152 10926 1 16 . 1 1 80 80 ASP HA H 80 4.946 4.946 4.608 0.338 18152 10927 1 16 . 1 1 80 80 ASP C C 80 175.886 175.886 175.114 0.772 18152 10928 1 16 . 1 1 80 80 ASP CA C 80 55.661 55.661 54.611 1.050 18152 10929 1 16 . 1 1 80 80 ASP CB C 80 41.782 41.782 42.420 -0.638 18152 10930 1 16 . 1 1 80 80 ASP H H 80 8.052 8.052 7.556 0.496 18152 10931 1 16 . 1 1 81 81 THR N N 81 111.597 111.597 113.051 -1.454 18152 10932 1 16 . 1 1 81 81 THR HA H 81 5.321 5.321 5.024 0.297 18152 10933 1 16 . 1 1 81 81 THR C C 81 174.221 174.221 173.404 0.817 18152 10934 1 16 . 1 1 81 81 THR CA C 81 61.103 61.103 60.914 0.189 18152 10935 1 16 . 1 1 81 81 THR CB C 81 71.264 71.264 71.937 -0.673 18152 10936 1 16 . 1 1 81 81 THR H H 81 8.083 8.083 8.275 -0.192 18152 10937 1 16 . 1 1 82 82 LEU N N 82 120.358 120.358 125.042 -4.684 18152 10938 1 16 . 1 1 82 82 LEU HA H 82 4.836 4.836 4.865 -0.029 18152 10939 1 16 . 1 1 82 82 LEU C C 82 174.850 174.850 175.654 -0.804 18152 10940 1 16 . 1 1 82 82 LEU CA C 82 53.721 53.721 54.002 -0.281 18152 10941 1 16 . 1 1 82 82 LEU CB C 82 45.655 45.655 44.587 1.069 18152 10942 1 16 . 1 1 82 82 LEU H H 82 8.684 8.684 9.129 -0.445 18152 10943 1 16 . 1 1 83 83 VAL N N 83 121.834 121.834 124.196 -2.362 18152 10944 1 16 . 1 1 83 83 VAL HA H 83 5.269 5.269 5.298 -0.029 18152 10945 1 16 . 1 1 83 83 VAL C C 83 174.766 174.766 175.147 -0.381 18152 10946 1 16 . 1 1 83 83 VAL CA C 83 61.157 61.157 61.540 -0.383 18152 10947 1 16 . 1 1 83 83 VAL CB C 83 34.923 34.923 33.336 1.587 18152 10948 1 16 . 1 1 83 83 VAL H H 83 8.670 8.670 9.268 -0.598 18152 10949 1 16 . 1 1 84 84 LEU N N 84 129.811 129.811 129.099 0.712 18152 10950 1 16 . 1 1 84 84 LEU HA H 84 5.647 5.647 5.345 0.302 18152 10951 1 16 . 1 1 84 84 LEU C C 84 175.644 175.644 176.276 -0.632 18152 10952 1 16 . 1 1 84 84 LEU CA C 84 53.160 53.160 53.419 -0.259 18152 10953 1 16 . 1 1 84 84 LEU CB C 84 46.815 46.815 43.803 3.012 18152 10954 1 16 . 1 1 84 84 LEU H H 84 10.025 10.025 9.531 0.494 18152 10955 1 16 . 1 1 85 85 GLU N N 85 125.273 125.273 124.730 0.543 18152 10956 1 16 . 1 1 85 85 GLU HA H 85 5.293 5.293 5.443 -0.150 18152 10957 1 16 . 1 1 85 85 GLU C C 85 175.910 175.910 175.212 0.698 18152 10958 1 16 . 1 1 85 85 GLU CA C 85 54.716 54.716 55.345 -0.629 18152 10959 1 16 . 1 1 85 85 GLU CB C 85 30.904 30.904 31.390 -0.486 18152 10960 1 16 . 1 1 85 85 GLU H H 85 9.117 9.117 8.994 0.123 18152 10961 1 16 . 1 1 86 86 TYR N N 86 125.299 125.299 125.732 -0.433 18152 10962 1 16 . 1 1 86 86 TYR HA H 86 4.825 4.825 4.770 0.055 18152 10963 1 16 . 1 1 86 86 TYR C C 86 174.077 174.077 174.754 -0.677 18152 10964 1 16 . 1 1 86 86 TYR CA C 86 57.516 57.516 57.941 -0.425 18152 10965 1 16 . 1 1 86 86 TYR CB C 86 41.720 41.720 42.523 -0.803 18152 10966 1 16 . 1 1 86 86 TYR H H 86 9.056 9.056 9.290 -0.234 18152 10967 1 16 . 1 1 87 87 ASP N N 87 131.006 131.006 129.184 1.822 18152 10968 1 16 . 1 1 87 87 ASP HA H 87 3.921 3.921 4.341 -0.420 18152 10969 1 16 . 1 1 87 87 ASP C C 87 171.773 171.773 175.765 -3.992 18152 10970 1 16 . 1 1 87 87 ASP CA C 87 54.613 54.613 55.372 -0.759 18152 10971 1 16 . 1 1 87 87 ASP CB C 87 39.659 39.659 39.779 -0.120 18152 10972 1 16 . 1 1 87 87 ASP H H 87 9.071 9.071 9.417 -0.346 18152 10973 1 16 . 1 1 88 88 ASN N N 88 109.843 109.843 110.977 -1.134 18152 10974 1 16 . 1 1 88 88 ASN HA H 88 4.159 4.159 4.376 -0.217 18152 10975 1 16 . 1 1 88 88 ASN C C 88 173.995 173.995 174.315 -0.320 18152 10976 1 16 . 1 1 88 88 ASN CA C 88 54.528 54.528 54.982 -0.454 18152 10977 1 16 . 1 1 88 88 ASN CB C 88 37.383 37.383 38.431 -1.048 18152 10978 1 16 . 1 1 88 88 ASN H H 88 8.613 8.613 8.859 -0.246 18152 10979 1 16 . 1 1 89 89 LYS N N 89 119.021 119.021 119.009 0.012 18152 10980 1 16 . 1 1 89 89 LYS HA H 89 4.714 4.714 4.879 -0.165 18152 10981 1 16 . 1 1 89 89 LYS C C 89 174.644 174.644 175.856 -1.212 18152 10982 1 16 . 1 1 89 89 LYS CA C 89 55.133 55.133 55.889 -0.756 18152 10983 1 16 . 1 1 89 89 LYS CB C 89 36.460 36.460 35.398 1.062 18152 10984 1 16 . 1 1 89 89 LYS H H 89 7.903 7.903 8.073 -0.170 18152 10985 1 16 . 1 1 90 90 THR N N 90 117.141 117.141 118.609 -1.468 18152 10986 1 16 . 1 1 90 90 THR HA H 90 4.819 4.819 5.344 -0.525 18152 10987 1 16 . 1 1 90 90 THR C C 90 172.823 172.823 173.924 -1.101 18152 10988 1 16 . 1 1 90 90 THR CA C 90 61.745 61.745 60.915 0.830 18152 10989 1 16 . 1 1 90 90 THR CB C 90 69.709 69.709 69.601 0.108 18152 10990 1 16 . 1 1 90 90 THR H H 90 8.451 8.451 9.251 -0.800 18152 10991 1 16 . 1 1 91 91 TYR N N 91 127.333 127.333 127.686 -0.353 18152 10992 1 16 . 1 1 91 91 TYR HA H 91 4.620 4.620 4.911 -0.291 18152 10993 1 16 . 1 1 91 91 TYR C C 91 174.313 174.313 175.769 -1.456 18152 10994 1 16 . 1 1 91 91 TYR CA C 91 56.764 56.764 56.861 -0.097 18152 10995 1 16 . 1 1 91 91 TYR CB C 91 41.054 41.054 40.683 0.371 18152 10996 1 16 . 1 1 91 91 TYR H H 91 9.552 9.552 9.937 -0.385 18152 10997 1 16 . 1 1 92 92 THR N N 92 117.709 117.709 119.200 -1.491 18152 10998 1 16 . 1 1 92 92 THR HA H 92 4.941 4.941 4.699 0.242 18152 10999 1 16 . 1 1 92 92 THR C C 92 172.464 172.464 173.424 -0.960 18152 11000 1 16 . 1 1 92 92 THR CA C 92 61.320 61.320 61.368 -0.048 18152 11001 1 16 . 1 1 92 92 THR CB C 92 69.546 69.546 68.751 0.795 18152 11002 1 16 . 1 1 92 92 THR H H 92 8.705 8.705 9.117 -0.412 18152 11003 1 16 . 1 1 93 93 TYR N N 93 122.946 122.946 125.859 -2.913 18152 11004 1 16 . 1 1 93 93 TYR HA H 93 5.431 5.431 5.380 0.051 18152 11005 1 16 . 1 1 93 93 TYR C C 93 174.846 174.846 175.138 -0.292 18152 11006 1 16 . 1 1 93 93 TYR CA C 93 55.804 55.804 56.616 -0.812 18152 11007 1 16 . 1 1 93 93 TYR CB C 93 42.627 42.627 42.474 0.153 18152 11008 1 16 . 1 1 93 93 TYR H H 93 9.381 9.381 9.649 -0.268 18152 11009 1 16 . 1 1 94 94 GLU N N 94 121.240 121.240 121.164 0.076 18152 11010 1 16 . 1 1 94 94 GLU HA H 94 4.901 4.901 5.074 -0.173 18152 11011 1 16 . 1 1 94 94 GLU C C 94 177.060 177.060 175.612 1.448 18152 11012 1 16 . 1 1 94 94 GLU CA C 94 54.073 54.073 53.890 0.183 18152 11013 1 16 . 1 1 94 94 GLU CB C 94 33.787 33.787 34.300 -0.513 18152 11014 1 16 . 1 1 94 94 GLU H H 94 9.100 9.100 9.349 -0.249 18152 11015 1 16 . 1 1 95 95 ILE N N 95 128.525 128.525 126.964 1.561 18152 11016 1 16 . 1 1 95 95 ILE HA H 95 3.737 3.737 4.056 -0.319 18152 11017 1 16 . 1 1 95 95 ILE C C 95 176.261 176.261 176.579 -0.318 18152 11018 1 16 . 1 1 95 95 ILE CA C 95 64.664 64.664 63.392 1.272 18152 11019 1 16 . 1 1 95 95 ILE CB C 95 37.472 37.472 36.402 1.070 18152 11020 1 16 . 1 1 95 95 ILE H H 95 9.293 9.293 8.510 0.783 18152 11021 1 16 . 1 1 96 96 GLN N N 96 127.221 127.221 128.321 -1.100 18152 11022 1 16 . 1 1 96 96 GLN HA H 96 4.831 4.831 4.412 0.419 18152 11023 1 16 . 1 1 96 96 GLN C C 96 174.674 174.674 176.199 -1.525 18152 11024 1 16 . 1 1 96 96 GLN CA C 96 54.632 54.632 57.187 -2.555 18152 11025 1 16 . 1 1 96 96 GLN CB C 96 31.165 31.165 30.167 0.998 18152 11026 1 16 . 1 1 96 96 GLN H H 96 10.106 10.106 8.676 1.430 18152 11027 1 16 . 1 1 97 97 LYS N N 97 120.717 120.717 118.627 2.090 18152 11028 1 16 . 1 1 97 97 LYS HA H 97 4.658 4.658 4.621 0.037 18152 11029 1 16 . 1 1 97 97 LYS C C 97 173.200 173.200 174.302 -1.102 18152 11030 1 16 . 1 1 97 97 LYS CA C 97 56.528 56.528 55.732 0.796 18152 11031 1 16 . 1 1 97 97 LYS CB C 97 36.462 36.462 35.138 1.324 18152 11032 1 16 . 1 1 97 97 LYS H H 97 7.958 7.958 7.663 0.295 18152 11033 1 16 . 1 1 98 98 ILE N N 98 125.089 125.089 124.514 0.575 18152 11034 1 16 . 1 1 98 98 ILE HA H 98 5.221 5.221 4.535 0.686 18152 11035 1 16 . 1 1 98 98 ILE C C 98 175.821 175.821 175.873 -0.052 18152 11036 1 16 . 1 1 98 98 ILE CA C 98 60.078 60.078 60.257 -0.179 18152 11037 1 16 . 1 1 98 98 ILE CB C 98 42.082 42.082 39.669 2.413 18152 11038 1 16 . 1 1 98 98 ILE H H 98 8.458 8.458 8.507 -0.049 18152 11039 1 16 . 1 1 99 99 TRP N N 99 129.003 129.003 127.491 1.512 18152 11040 1 16 . 1 1 99 99 TRP HA H 99 4.661 4.661 4.967 -0.306 18152 11041 1 16 . 1 1 99 99 TRP C C 99 170.353 170.353 172.950 -2.597 18152 11042 1 16 . 1 1 99 99 TRP CA C 99 56.388 56.388 55.919 0.469 18152 11043 1 16 . 1 1 99 99 TRP CB C 99 31.158 31.158 30.597 0.561 18152 11044 1 16 . 1 1 99 99 TRP H H 99 9.291 9.291 7.908 1.383 18152 11045 1 16 . 1 1 100 100 ILE N N 100 117.739 117.739 120.196 -2.457 18152 11046 1 16 . 1 1 100 100 ILE HA H 100 4.616 4.616 4.827 -0.211 18152 11047 1 16 . 1 1 100 100 ILE C C 100 176.258 176.258 175.397 0.861 18152 11048 1 16 . 1 1 100 100 ILE CA C 100 58.973 58.973 60.146 -1.173 18152 11049 1 16 . 1 1 100 100 ILE CB C 100 40.734 40.734 41.209 -0.475 18152 11050 1 16 . 1 1 100 100 ILE H H 100 7.778 7.778 8.362 -0.584 18152 11051 1 16 . 1 1 101 101 THR N N 101 120.676 120.676 119.361 1.315 18152 11052 1 16 . 1 1 101 101 THR HA H 101 4.755 4.755 4.453 0.302 18152 11053 1 16 . 1 1 101 101 THR C C 101 172.069 172.069 172.936 -0.867 18152 11054 1 16 . 1 1 101 101 THR CA C 101 57.557 57.557 59.645 -2.088 18152 11055 1 16 . 1 1 101 101 THR CB C 101 70.656 70.656 70.624 0.032 18152 11056 1 16 . 1 1 101 101 THR H H 101 8.587 8.587 8.571 0.016 18152 11057 1 16 . 1 1 102 102 HIS N N 102 119.885 119.885 119.633 0.252 18152 11058 1 16 . 1 1 102 102 HIS HA H 102 5.401 5.401 4.567 0.834 18152 11059 1 16 . 1 1 102 102 HIS C C 102 176.781 176.781 177.033 -0.252 18152 11060 1 16 . 1 1 102 102 HIS CA C 102 54.482 54.482 56.927 -2.445 18152 11061 1 16 . 1 1 102 102 HIS CB C 102 31.240 31.240 29.847 1.393 18152 11062 1 16 . 1 1 102 102 HIS H H 102 8.194 8.194 7.784 0.410 18152 11063 1 16 . 1 1 103 103 ALA N N 103 121.632 121.632 124.857 -3.225 18152 11064 1 16 . 1 1 103 103 ALA HA H 103 3.710 3.710 4.152 -0.442 18152 11065 1 16 . 1 1 103 103 ALA C C 103 177.587 177.587 177.398 0.189 18152 11066 1 16 . 1 1 103 103 ALA CA C 103 54.899 54.899 54.316 0.583 18152 11067 1 16 . 1 1 103 103 ALA CB C 103 17.981 17.981 19.256 -1.274 18152 11068 1 16 . 1 1 103 103 ALA H H 103 8.405 8.405 8.753 -0.348 18152 11069 1 16 . 1 1 104 104 ASP N N 104 114.513 114.513 113.959 0.554 18152 11070 1 16 . 1 1 104 104 ASP HA H 104 4.603 4.603 4.619 -0.016 18152 11071 1 16 . 1 1 104 104 ASP C C 104 175.283 175.283 175.874 -0.591 18152 11072 1 16 . 1 1 104 104 ASP CA C 104 53.070 53.070 52.666 0.404 18152 11073 1 16 . 1 1 104 104 ASP CB C 104 40.034 40.034 40.277 -0.243 18152 11074 1 16 . 1 1 104 104 ASP H H 104 8.314 8.314 8.206 0.108 18152 11075 1 16 . 1 1 105 105 ASP N N 105 119.184 119.184 122.318 -3.134 18152 11076 1 16 . 1 1 105 105 ASP HA H 105 4.170 4.170 4.614 -0.444 18152 11077 1 16 . 1 1 105 105 ASP C C 105 177.674 177.674 177.201 0.473 18152 11078 1 16 . 1 1 105 105 ASP CA C 105 54.268 54.268 54.162 0.106 18152 11079 1 16 . 1 1 105 105 ASP CB C 105 39.846 39.846 40.863 -1.017 18152 11080 1 16 . 1 1 105 105 ASP H H 105 7.043 7.043 7.517 -0.474 18152 11081 1 16 . 1 1 106 106 ARG N N 106 127.998 127.998 127.007 0.991 18152 11082 1 16 . 1 1 106 106 ARG HA H 106 4.368 4.368 3.973 0.395 18152 11083 1 16 . 1 1 106 106 ARG C C 106 177.709 177.709 178.127 -0.418 18152 11084 1 16 . 1 1 106 106 ARG CA C 106 55.888 55.888 58.997 -3.109 18152 11085 1 16 . 1 1 106 106 ARG CB C 106 29.264 29.264 29.459 -0.195 18152 11086 1 16 . 1 1 106 106 ARG H H 106 8.921 8.921 8.268 0.653 18152 11087 1 16 . 1 1 107 107 THR N N 107 111.880 111.880 112.349 -0.469 18152 11088 1 16 . 1 1 107 107 THR HA H 107 4.139 4.139 4.027 0.112 18152 11089 1 16 . 1 1 107 107 THR C C 107 173.548 173.548 175.476 -1.928 18152 11090 1 16 . 1 1 107 107 THR CA C 107 62.350 62.350 64.739 -2.389 18152 11091 1 16 . 1 1 107 107 THR CB C 107 68.935 68.935 68.486 0.450 18152 11092 1 16 . 1 1 107 107 THR H H 107 8.857 8.857 8.284 0.573 18152 11093 1 16 . 1 1 108 108 VAL N N 108 118.971 118.971 116.118 2.853 18152 11094 1 16 . 1 1 108 108 VAL HA H 108 3.942 3.942 4.375 -0.433 18152 11095 1 16 . 1 1 108 108 VAL C C 108 176.853 176.853 175.437 1.416 18152 11096 1 16 . 1 1 108 108 VAL CA C 108 63.878 63.878 61.785 2.093 18152 11097 1 16 . 1 1 108 108 VAL CB C 108 32.470 32.470 32.881 -0.411 18152 11098 1 16 . 1 1 108 108 VAL H H 108 6.811 6.811 7.699 -0.888 18152 11099 1 16 . 1 1 109 109 ILE N N 109 120.334 120.334 119.297 1.037 18152 11100 1 16 . 1 1 109 109 ILE HA H 109 3.438 3.438 4.116 -0.678 18152 11101 1 16 . 1 1 109 109 ILE C C 109 173.191 173.191 176.040 -2.849 18152 11102 1 16 . 1 1 109 109 ILE CA C 109 60.963 60.963 60.151 0.812 18152 11103 1 16 . 1 1 109 109 ILE CB C 109 33.933 33.933 36.716 -2.783 18152 11104 1 16 . 1 1 109 109 ILE H H 109 8.053 8.053 8.120 -0.067 18152 11105 1 16 . 1 1 110 110 ILE N N 110 118.981 118.981 118.568 0.413 18152 11106 1 16 . 1 1 110 110 ILE HA H 110 4.542 4.542 4.477 0.065 18152 11107 1 16 . 1 1 110 110 ILE C C 110 174.405 174.405 174.956 -0.551 18152 11108 1 16 . 1 1 110 110 ILE CA C 110 57.932 57.932 59.066 -1.134 18152 11109 1 16 . 1 1 110 110 ILE CB C 110 42.146 42.146 38.575 3.571 18152 11110 1 16 . 1 1 110 110 ILE H H 110 6.877 6.877 7.644 -0.767 18152 11111 1 16 . 1 1 111 111 LYS N N 111 123.307 123.307 120.299 3.008 18152 11112 1 16 . 1 1 111 111 LYS HA H 111 4.609 4.609 4.625 -0.015 18152 11113 1 16 . 1 1 111 111 LYS C C 111 176.528 176.528 176.081 0.447 18152 11114 1 16 . 1 1 111 111 LYS CA C 111 56.695 56.695 55.830 0.865 18152 11115 1 16 . 1 1 111 111 LYS CB C 111 33.092 33.092 33.911 -0.819 18152 11116 1 16 . 1 1 111 111 LYS H H 111 8.492 8.492 8.115 0.377 18152 11117 1 16 . 1 1 112 112 LYS N N 112 121.425 121.425 123.335 -1.910 18152 11118 1 16 . 1 1 112 112 LYS HA H 112 4.706 4.706 4.507 0.199 18152 11119 1 16 . 1 1 112 112 LYS C C 112 175.996 175.996 175.274 0.722 18152 11120 1 16 . 1 1 112 112 LYS CA C 112 53.271 53.271 55.520 -2.249 18152 11121 1 16 . 1 1 112 112 LYS CB C 112 36.089 36.089 35.114 0.975 18152 11122 1 16 . 1 1 112 112 LYS H H 112 8.351 8.351 8.705 -0.354 18152 11123 1 16 . 1 1 113 113 GLU N N 113 119.533 119.533 120.869 -1.336 18152 11124 1 16 . 1 1 113 113 GLU HA H 113 4.372 4.372 4.253 0.119 18152 11125 1 16 . 1 1 113 113 GLU C C 113 174.477 174.477 175.574 -1.097 18152 11126 1 16 . 1 1 113 113 GLU CA C 113 55.175 55.175 56.089 -0.914 18152 11127 1 16 . 1 1 113 113 GLU CB C 113 29.097 29.097 30.063 -0.966 18152 11128 1 16 . 1 1 113 113 GLU H H 113 8.815 8.815 8.755 0.060 18152 11129 1 16 . 1 1 114 114 GLU N N 114 117.843 117.843 117.284 0.559 18152 11130 1 16 . 1 1 114 114 GLU HA H 114 4.701 4.701 4.739 -0.038 18152 11131 1 16 . 1 1 114 114 GLU C C 114 172.378 172.378 174.232 -1.854 18152 11132 1 16 . 1 1 114 114 GLU CA C 114 52.633 52.633 53.067 -0.434 18152 11133 1 16 . 1 1 114 114 GLU CB C 114 30.487 30.487 29.807 0.680 18152 11134 1 16 . 1 1 114 114 GLU H H 114 7.426 7.426 7.692 -0.266 18152 11135 1 16 . 1 1 115 115 PRO HA H 115 4.725 4.725 4.986 -0.261 18152 11136 1 16 . 1 1 115 115 PRO CA C 115 62.352 62.352 63.000 -0.648 18152 11137 1 16 . 1 1 115 115 PRO CB C 115 30.706 30.706 31.096 -0.390 18152 11138 1 16 . 1 1 116 116 ILE N N 116 130.464 130.464 123.711 6.753 18152 11139 1 16 . 1 1 116 116 ILE HA H 116 4.785 4.785 4.918 -0.133 18152 11140 1 16 . 1 1 116 116 ILE C C 116 172.992 172.992 174.400 -1.408 18152 11141 1 16 . 1 1 116 116 ILE CA C 116 56.976 56.976 58.616 -1.640 18152 11142 1 16 . 1 1 116 116 ILE CB C 116 41.420 41.420 41.545 -0.125 18152 11143 1 16 . 1 1 116 116 ILE H H 116 7.830 7.830 8.251 -0.421 18152 11144 1 16 . 1 1 117 117 LEU N N 117 128.504 128.504 129.054 -0.550 18152 11145 1 16 . 1 1 117 117 LEU HA H 117 5.307 5.307 5.228 0.079 18152 11146 1 16 . 1 1 117 117 LEU C C 117 174.488 174.488 175.177 -0.689 18152 11147 1 16 . 1 1 117 117 LEU CA C 117 52.062 52.062 53.171 -1.109 18152 11148 1 16 . 1 1 117 117 LEU CB C 117 45.447 45.447 44.615 0.832 18152 11149 1 16 . 1 1 117 117 LEU H H 117 8.838 8.838 8.556 0.282 18152 11150 1 16 . 1 1 118 118 THR N N 118 125.436 125.436 123.884 1.552 18152 11151 1 16 . 1 1 118 118 THR HA H 118 5.417 5.417 4.925 0.492 18152 11152 1 16 . 1 1 118 118 THR C C 118 173.169 173.169 172.576 0.593 18152 11153 1 16 . 1 1 118 118 THR CA C 118 60.596 60.596 61.900 -1.304 18152 11154 1 16 . 1 1 118 118 THR CB C 118 68.558 68.558 70.422 -1.864 18152 11155 1 16 . 1 1 118 118 THR H H 118 8.938 8.938 9.210 -0.272 18152 11156 1 16 . 1 1 119 119 LEU N N 119 128.310 128.310 130.252 -1.942 18152 11157 1 16 . 1 1 119 119 LEU HA H 119 5.103 5.103 4.989 0.114 18152 11158 1 16 . 1 1 119 119 LEU C C 119 174.404 174.404 174.951 -0.547 18152 11159 1 16 . 1 1 119 119 LEU CA C 119 52.439 52.439 53.339 -0.900 18152 11160 1 16 . 1 1 119 119 LEU CB C 119 44.373 44.373 44.532 -0.160 18152 11161 1 16 . 1 1 119 119 LEU H H 119 9.280 9.280 8.916 0.364 18152 11162 1 16 . 1 1 120 120 THR N N 120 117.635 117.635 120.928 -3.293 18152 11163 1 16 . 1 1 120 120 THR HA H 120 5.590 5.590 5.546 0.044 18152 11164 1 16 . 1 1 120 120 THR C C 120 172.735 172.735 174.484 -1.749 18152 11165 1 16 . 1 1 120 120 THR CA C 120 57.360 57.360 59.757 -2.397 18152 11166 1 16 . 1 1 120 120 THR CB C 120 70.136 70.136 70.390 -0.254 18152 11167 1 16 . 1 1 120 120 THR H H 120 8.640 8.640 9.308 -0.668 18152 11168 1 16 . 1 1 121 121 THR N N 121 116.149 116.149 118.313 -2.164 18152 11169 1 16 . 1 1 121 121 THR HA H 121 4.766 4.766 5.673 -0.907 18152 11170 1 16 . 1 1 121 121 THR C C 121 174.145 174.145 174.078 0.067 18152 11171 1 16 . 1 1 121 121 THR CA C 121 59.550 59.550 59.943 -0.393 18152 11172 1 16 . 1 1 121 121 THR CB C 121 71.701 71.701 72.726 -1.025 18152 11173 1 16 . 1 1 121 121 THR H H 121 8.374 8.374 9.155 -0.781 18152 11174 1 16 . 1 1 123 123 TYR N N 123 121.847 121.847 118.392 3.455 18152 11175 1 16 . 1 1 123 123 TYR H H 123 7.461 7.461 8.601 -1.140 18152 11176 1 16 . 1 1 125 125 PHE N N 125 120.754 120.754 119.529 1.225 18152 11177 1 16 . 1 1 125 125 PHE HA H 125 4.420 4.420 4.612 -0.192 18152 11178 1 16 . 1 1 125 125 PHE C C 125 176.083 176.083 175.411 0.672 18152 11179 1 16 . 1 1 125 125 PHE CA C 125 58.918 58.918 58.910 0.008 18152 11180 1 16 . 1 1 125 125 PHE CB C 125 38.624 38.624 39.509 -0.885 18152 11181 1 16 . 1 1 125 125 PHE H H 125 7.334 7.334 8.781 -1.447 18152 11182 1 16 . 1 1 126 126 ASP N N 126 114.938 114.938 117.217 -2.279 18152 11183 1 16 . 1 1 126 126 ASP HA H 126 4.548 4.548 4.310 0.238 18152 11184 1 16 . 1 1 126 126 ASP C C 126 175.285 175.285 174.927 0.358 18152 11185 1 16 . 1 1 126 126 ASP CA C 126 51.974 51.974 53.940 -1.966 18152 11186 1 16 . 1 1 126 126 ASP CB C 126 39.454 39.454 42.184 -2.730 18152 11187 1 16 . 1 1 126 126 ASP H H 126 8.179 8.179 7.784 0.395 18152 11188 1 16 . 1 1 127 127 TYR N N 127 121.170 121.170 120.238 0.932 18152 11189 1 16 . 1 1 127 127 TYR HA H 127 3.947 3.947 4.608 -0.661 18152 11190 1 16 . 1 1 127 127 TYR C C 127 175.022 175.022 174.113 0.909 18152 11191 1 16 . 1 1 127 127 TYR CA C 127 58.734 58.734 57.286 1.448 18152 11192 1 16 . 1 1 127 127 TYR CB C 127 39.330 39.330 40.664 -1.334 18152 11193 1 16 . 1 1 127 127 TYR H H 127 7.196 7.196 7.690 -0.494 18152 11194 1 16 . 1 1 128 128 ILE N N 128 127.293 127.293 122.848 4.445 18152 11195 1 16 . 1 1 128 128 ILE HA H 128 4.081 4.081 3.802 0.279 18152 11196 1 16 . 1 1 128 128 ILE C C 128 174.579 174.579 175.183 -0.604 18152 11197 1 16 . 1 1 128 128 ILE CA C 128 60.165 60.165 60.887 -0.722 18152 11198 1 16 . 1 1 128 128 ILE CB C 128 37.120 37.120 37.890 -0.770 18152 11199 1 16 . 1 1 128 128 ILE H H 128 7.634 7.634 7.249 0.385 18152 11200 1 16 . 1 1 129 129 GLY N N 129 114.862 114.862 117.122 -2.260 18152 11201 1 16 . 1 1 129 129 GLY C C 129 172.992 172.992 173.248 -0.256 18152 11202 1 16 . 1 1 129 129 GLY CA C 129 43.458 43.458 44.938 -1.480 18152 11203 1 16 . 1 1 129 129 GLY H H 129 8.150 8.150 8.517 -0.367 18152 11204 1 16 . 1 1 130 130 ASP N N 130 122.165 122.165 125.259 -3.094 18152 11205 1 16 . 1 1 130 130 ASP HA H 130 4.639 4.639 4.839 -0.200 18152 11206 1 16 . 1 1 130 130 ASP C C 130 174.579 174.579 175.218 -0.639 18152 11207 1 16 . 1 1 130 130 ASP CA C 130 53.344 53.344 52.832 0.512 18152 11208 1 16 . 1 1 130 130 ASP CB C 130 39.979 39.979 42.154 -2.175 18152 11209 1 16 . 1 1 130 130 ASP H H 130 8.541 8.541 8.647 -0.106 18152 11210 1 16 . 1 1 131 131 ALA N N 131 129.087 129.087 128.298 0.789 18152 11211 1 16 . 1 1 131 131 ALA HA H 131 3.673 3.673 3.884 -0.211 18152 11212 1 16 . 1 1 131 131 ALA C C 131 176.791 176.791 176.850 -0.059 18152 11213 1 16 . 1 1 131 131 ALA CA C 131 50.186 50.186 51.062 -0.876 18152 11214 1 16 . 1 1 131 131 ALA CB C 131 17.692 17.692 18.534 -0.842 18152 11215 1 16 . 1 1 131 131 ALA H H 131 8.280 8.280 8.617 -0.337 18152 11216 1 16 . 1 1 133 133 ASP N N 133 117.477 117.477 115.942 1.535 18152 11217 1 16 . 1 1 133 133 ASP HA H 133 5.512 5.512 4.713 0.799 18152 11218 1 16 . 1 1 133 133 ASP C C 133 175.988 175.988 175.537 0.451 18152 11219 1 16 . 1 1 133 133 ASP CA C 133 53.067 53.067 52.953 0.114 18152 11220 1 16 . 1 1 133 133 ASP CB C 133 45.102 45.102 41.850 3.252 18152 11221 1 16 . 1 1 133 133 ASP H H 133 7.355 7.355 7.871 -0.516 18152 11222 1 16 . 1 1 134 134 ARG N N 134 120.986 120.986 118.540 2.446 18152 11223 1 16 . 1 1 134 134 ARG HA H 134 4.871 4.871 4.821 0.050 18152 11224 1 16 . 1 1 134 134 ARG C C 134 172.288 172.288 174.792 -2.504 18152 11225 1 16 . 1 1 134 134 ARG CA C 134 53.958 53.958 53.572 0.386 18152 11226 1 16 . 1 1 134 134 ARG CB C 134 33.787 33.787 31.993 1.794 18152 11227 1 16 . 1 1 134 134 ARG H H 134 9.308 9.308 8.828 0.480 18152 11228 1 16 . 1 1 135 135 TYR N N 135 127.342 127.342 124.905 2.437 18152 11229 1 16 . 1 1 135 135 TYR HA H 135 4.037 4.037 4.491 -0.454 18152 11230 1 16 . 1 1 135 135 TYR C C 135 173.811 173.811 174.198 -0.387 18152 11231 1 16 . 1 1 135 135 TYR CA C 135 57.419 57.419 59.034 -1.615 18152 11232 1 16 . 1 1 135 135 TYR CB C 135 40.515 40.515 39.440 1.075 18152 11233 1 16 . 1 1 135 135 TYR H H 135 8.867 8.867 8.900 -0.033 18152 11234 1 16 . 1 1 136 136 ILE N N 136 128.458 128.458 128.077 0.381 18152 11235 1 16 . 1 1 136 136 ILE HA H 136 4.133 4.133 4.702 -0.569 18152 11236 1 16 . 1 1 136 136 ILE C C 136 173.610 173.610 173.691 -0.081 18152 11237 1 16 . 1 1 136 136 ILE CA C 136 58.968 58.968 59.718 -0.750 18152 11238 1 16 . 1 1 136 136 ILE CB C 136 40.998 40.998 41.335 -0.337 18152 11239 1 16 . 1 1 136 136 ILE H H 136 8.569 8.569 8.100 0.469 18152 11240 1 16 . 1 1 137 137 ILE N N 137 123.623 123.623 128.530 -4.907 18152 11241 1 16 . 1 1 137 137 ILE HA H 137 4.330 4.330 4.100 0.230 18152 11242 1 16 . 1 1 137 137 ILE C C 137 173.524 173.524 173.871 -0.347 18152 11243 1 16 . 1 1 137 137 ILE CA C 137 59.873 59.873 59.801 0.072 18152 11244 1 16 . 1 1 137 137 ILE CB C 137 40.767 40.767 39.720 1.047 18152 11245 1 16 . 1 1 137 137 ILE H H 137 8.263 8.263 8.859 -0.596 18152 11246 1 16 . 1 1 138 138 GLU N N 138 127.009 127.009 129.385 -2.376 18152 11247 1 16 . 1 1 138 138 GLU HA H 138 5.219 5.219 5.021 0.198 18152 11248 1 16 . 1 1 138 138 GLU C C 138 175.383 175.383 174.822 0.561 18152 11249 1 16 . 1 1 138 138 GLU CA C 138 54.895 54.895 54.578 0.317 18152 11250 1 16 . 1 1 138 138 GLU CB C 138 33.904 33.904 32.605 1.299 18152 11251 1 16 . 1 1 138 138 GLU H H 138 9.166 9.166 7.899 1.267 18152 11252 1 16 . 1 1 139 139 ALA N N 139 132.785 132.785 127.817 4.968 18152 11253 1 16 . 1 1 139 139 ALA HA H 139 5.231 5.231 5.418 -0.187 18152 11254 1 16 . 1 1 139 139 ALA C C 139 173.789 173.789 175.206 -1.417 18152 11255 1 16 . 1 1 139 139 ALA CA C 139 50.197 50.197 50.620 -0.423 18152 11256 1 16 . 1 1 139 139 ALA CB C 139 24.262 24.262 23.489 0.773 18152 11257 1 16 . 1 1 139 139 ALA H H 139 10.313 10.313 8.790 1.523 18152 11258 1 16 . 1 1 140 140 LYS N N 140 120.672 120.672 121.428 -0.756 18152 11259 1 16 . 1 1 140 140 LYS HA H 140 5.062 5.062 5.026 0.036 18152 11260 1 16 . 1 1 140 140 LYS C C 140 175.807 175.807 175.581 0.226 18152 11261 1 16 . 1 1 140 140 LYS CA C 140 54.250 54.250 53.711 0.539 18152 11262 1 16 . 1 1 140 140 LYS CB C 140 34.937 34.937 36.515 -1.578 18152 11263 1 16 . 1 1 140 140 LYS H H 140 8.507 8.507 8.868 -0.361 18152 11264 1 16 . 1 1 141 141 LEU N N 141 126.557 126.557 128.476 -1.919 18152 11265 1 16 . 1 1 141 141 LEU HA H 141 4.107 4.107 3.993 0.114 18152 11266 1 16 . 1 1 141 141 LEU C C 141 177.236 177.236 176.897 0.339 18152 11267 1 16 . 1 1 141 141 LEU CA C 141 56.169 56.169 55.658 0.511 18152 11268 1 16 . 1 1 141 141 LEU CB C 141 42.408 42.408 42.348 0.060 18152 11269 1 16 . 1 1 141 141 LEU H H 141 7.560 7.560 8.381 -0.821 18152 11270 1 16 . 1 1 142 142 THR N N 142 119.454 119.454 119.117 0.337 18152 11271 1 16 . 1 1 142 142 THR HA H 142 4.522 4.522 4.467 0.055 18152 11272 1 16 . 1 1 142 142 THR C C 142 175.187 175.187 175.220 -0.033 18152 11273 1 16 . 1 1 142 142 THR CA C 142 60.915 60.915 62.239 -1.323 18152 11274 1 16 . 1 1 142 142 THR CB C 142 69.490 69.490 70.585 -1.095 18152 11275 1 16 . 1 1 142 142 THR H H 142 9.562 9.562 9.097 0.465 18152 11276 1 16 . 1 1 143 143 GLY N N 143 109.946 109.946 108.949 0.997 18152 11277 1 16 . 1 1 143 143 GLY C C 143 170.713 170.713 172.194 -1.481 18152 11278 1 16 . 1 1 143 143 GLY CA C 143 45.254 45.254 44.354 0.900 18152 11279 1 16 . 1 1 143 143 GLY H H 143 7.513 7.513 7.565 -0.052 18152 11280 1 16 . 1 1 144 144 SER N N 144 112.778 112.778 114.294 -1.516 18152 11281 1 16 . 1 1 144 144 SER HA H 144 5.059 5.059 4.833 0.226 18152 11282 1 16 . 1 1 144 144 SER C C 144 173.178 173.178 172.474 0.704 18152 11283 1 16 . 1 1 144 144 SER CA C 144 56.393 56.393 57.120 -0.727 18152 11284 1 16 . 1 1 144 144 SER CB C 144 65.587 65.587 65.743 -0.156 18152 11285 1 16 . 1 1 144 144 SER H H 144 7.877 7.877 7.807 0.070 18152 11286 1 16 . 1 1 145 145 TYR N N 145 119.351 119.351 123.631 -4.280 18152 11287 1 16 . 1 1 145 145 TYR HA H 145 4.755 4.755 4.714 0.041 18152 11288 1 16 . 1 1 145 145 TYR C C 145 174.580 174.580 174.663 -0.083 18152 11289 1 16 . 1 1 145 145 TYR CA C 145 56.413 56.413 56.679 -0.266 18152 11290 1 16 . 1 1 145 145 TYR CB C 145 40.096 40.096 42.287 -2.191 18152 11291 1 16 . 1 1 145 145 TYR H H 145 8.374 8.374 9.262 -0.888 18152 11292 1 16 . 1 1 146 146 SER N N 146 117.533 117.533 117.086 0.447 18152 11293 1 16 . 1 1 146 146 SER HA H 146 4.564 4.564 4.602 -0.038 18152 11294 1 16 . 1 1 146 146 SER CA C 146 58.000 58.000 56.973 1.027 18152 11295 1 16 . 1 1 146 146 SER CB C 146 63.905 63.905 64.285 -0.380 18152 11296 1 16 . 1 1 146 146 SER H H 146 8.502 8.502 8.402 0.100 18152 11297 1 17 . 1 1 7 7 GLN N N 7 122.485 122.485 119.680 2.805 18152 11298 1 17 . 1 1 7 7 GLN CA C 7 55.218 55.218 55.718 -0.499 18152 11299 1 17 . 1 1 7 7 GLN CB C 7 28.842 28.842 28.902 -0.060 18152 11300 1 17 . 1 1 7 7 GLN H H 7 8.175 8.175 8.414 -0.239 18152 11301 1 17 . 1 1 8 8 THR N N 8 115.244 115.244 112.456 2.788 18152 11302 1 17 . 1 1 8 8 THR HA H 8 4.189 4.189 4.411 -0.222 18152 11303 1 17 . 1 1 8 8 THR C C 8 173.961 173.961 174.947 -0.986 18152 11304 1 17 . 1 1 8 8 THR CA C 8 61.486 61.486 62.111 -0.625 18152 11305 1 17 . 1 1 8 8 THR CB C 8 69.316 69.316 69.371 -0.055 18152 11306 1 17 . 1 1 8 8 THR H H 8 8.027 8.027 7.800 0.228 18152 11307 1 17 . 1 1 9 9 GLU N N 9 123.496 123.496 122.052 1.444 18152 11308 1 17 . 1 1 9 9 GLU HA H 9 4.060 4.060 4.511 -0.451 18152 11309 1 17 . 1 1 9 9 GLU C C 9 175.555 175.555 176.405 -0.850 18152 11310 1 17 . 1 1 9 9 GLU CA C 9 55.868 55.868 56.164 -0.296 18152 11311 1 17 . 1 1 9 9 GLU CB C 9 29.611 29.611 30.653 -1.042 18152 11312 1 17 . 1 1 9 9 GLU H H 9 8.225 8.225 8.107 0.118 18152 11313 1 17 . 1 1 10 10 HIS N N 10 119.084 119.084 118.449 0.635 18152 11314 1 17 . 1 1 10 10 HIS HA H 10 4.384 4.384 4.443 -0.059 18152 11315 1 17 . 1 1 10 10 HIS C C 10 173.742 173.742 175.015 -1.273 18152 11316 1 17 . 1 1 10 10 HIS CA C 10 53.932 53.932 54.852 -0.920 18152 11317 1 17 . 1 1 10 10 HIS CB C 10 28.922 28.922 28.968 -0.046 18152 11318 1 17 . 1 1 10 10 HIS H H 10 7.357 7.357 8.809 -1.452 18152 11319 1 17 . 1 1 11 11 LYS N N 11 121.509 121.509 121.476 0.033 18152 11320 1 17 . 1 1 11 11 LYS HA H 11 4.469 4.469 4.321 0.148 18152 11321 1 17 . 1 1 11 11 LYS C C 11 176.210 176.210 176.470 -0.260 18152 11322 1 17 . 1 1 11 11 LYS CA C 11 54.245 54.245 56.599 -2.354 18152 11323 1 17 . 1 1 11 11 LYS CB C 11 33.548 33.548 33.574 -0.026 18152 11324 1 17 . 1 1 11 11 LYS H H 11 8.409 8.409 7.842 0.567 18152 11325 1 17 . 1 1 12 12 GLU N N 12 123.025 123.025 122.554 0.471 18152 11326 1 17 . 1 1 12 12 GLU HA H 12 4.240 4.240 4.123 0.117 18152 11327 1 17 . 1 1 12 12 GLU C C 12 178.023 178.023 177.455 0.568 18152 11328 1 17 . 1 1 12 12 GLU CA C 12 58.350 58.350 57.344 1.006 18152 11329 1 17 . 1 1 12 12 GLU CB C 12 29.254 29.254 29.199 0.055 18152 11330 1 17 . 1 1 12 12 GLU H H 12 8.929 8.929 8.713 0.216 18152 11331 1 17 . 1 1 13 13 GLY N N 13 113.216 113.216 112.974 0.242 18152 11332 1 17 . 1 1 13 13 GLY C C 13 174.141 174.141 173.971 0.170 18152 11333 1 17 . 1 1 13 13 GLY CA C 13 45.243 45.243 45.142 0.101 18152 11334 1 17 . 1 1 13 13 GLY H H 13 9.714 9.714 9.556 0.158 18152 11335 1 17 . 1 1 14 14 GLU N N 14 120.782 120.782 120.965 -0.183 18152 11336 1 17 . 1 1 14 14 GLU HA H 14 4.472 4.472 4.898 -0.426 18152 11337 1 17 . 1 1 14 14 GLU C C 14 176.436 176.436 175.936 0.500 18152 11338 1 17 . 1 1 14 14 GLU CA C 14 55.641 55.641 53.897 1.744 18152 11339 1 17 . 1 1 14 14 GLU CB C 14 30.989 30.989 32.135 -1.145 18152 11340 1 17 . 1 1 14 14 GLU H H 14 8.289 8.289 8.030 0.259 18152 11341 1 17 . 1 1 15 15 LYS N N 15 125.126 125.126 125.142 -0.016 18152 11342 1 17 . 1 1 15 15 LYS HA H 15 4.100 4.100 3.579 0.521 18152 11343 1 17 . 1 1 15 15 LYS C C 15 176.970 176.970 176.304 0.666 18152 11344 1 17 . 1 1 15 15 LYS CA C 15 57.098 57.098 57.518 -0.420 18152 11345 1 17 . 1 1 15 15 LYS CB C 15 31.680 31.680 31.859 -0.179 18152 11346 1 17 . 1 1 15 15 LYS H H 15 8.978 8.978 8.909 0.069 18152 11347 1 17 . 1 1 16 16 VAL N N 16 119.214 119.214 118.947 0.267 18152 11348 1 17 . 1 1 16 16 VAL HA H 16 4.572 4.572 4.081 0.491 18152 11349 1 17 . 1 1 16 16 VAL C C 16 174.148 174.148 174.651 -0.503 18152 11350 1 17 . 1 1 16 16 VAL CA C 16 60.141 60.141 61.725 -1.584 18152 11351 1 17 . 1 1 16 16 VAL CB C 16 34.881 34.881 33.408 1.473 18152 11352 1 17 . 1 1 16 16 VAL H H 16 8.976 8.976 7.902 1.074 18152 11353 1 17 . 1 1 17 17 ALA N N 17 121.368 121.368 121.190 0.178 18152 11354 1 17 . 1 1 17 17 ALA HA H 17 5.186 5.186 5.128 0.058 18152 11355 1 17 . 1 1 17 17 ALA C C 17 174.664 174.664 174.933 -0.269 18152 11356 1 17 . 1 1 17 17 ALA CA C 17 51.098 51.098 49.770 1.327 18152 11357 1 17 . 1 1 17 17 ALA CB C 17 22.853 22.853 22.497 0.356 18152 11358 1 17 . 1 1 17 17 ALA H H 17 8.069 8.069 7.458 0.611 18152 11359 1 17 . 1 1 18 18 MET N N 18 116.475 116.475 119.744 -3.269 18152 11360 1 17 . 1 1 18 18 MET HA H 18 5.303 5.303 4.950 0.353 18152 11361 1 17 . 1 1 18 18 MET C C 18 174.413 174.413 174.010 0.403 18152 11362 1 17 . 1 1 18 18 MET CA C 18 53.607 53.607 54.500 -0.893 18152 11363 1 17 . 1 1 18 18 MET CB C 18 35.038 35.038 37.005 -1.967 18152 11364 1 17 . 1 1 18 18 MET H H 18 8.142 8.142 8.218 -0.076 18152 11365 1 17 . 1 1 19 19 LEU N N 19 126.244 126.244 126.101 0.143 18152 11366 1 17 . 1 1 19 19 LEU HA H 19 5.268 5.268 5.198 0.070 18152 11367 1 17 . 1 1 19 19 LEU C C 19 173.617 173.617 174.253 -0.636 18152 11368 1 17 . 1 1 19 19 LEU CA C 19 52.851 52.851 53.500 -0.649 18152 11369 1 17 . 1 1 19 19 LEU CB C 19 44.705 44.705 44.883 -0.178 18152 11370 1 17 . 1 1 19 19 LEU H H 19 9.369 9.369 9.268 0.101 18152 11371 1 17 . 1 1 20 20 ASN N N 20 126.596 126.596 125.768 0.828 18152 11372 1 17 . 1 1 20 20 ASN HA H 20 5.340 5.340 5.394 -0.054 18152 11373 1 17 . 1 1 20 20 ASN C C 20 174.316 174.316 173.952 0.364 18152 11374 1 17 . 1 1 20 20 ASN CA C 20 51.344 51.344 51.917 -0.573 18152 11375 1 17 . 1 1 20 20 ASN CB C 20 40.972 40.972 41.530 -0.558 18152 11376 1 17 . 1 1 20 20 ASN H H 20 10.032 10.032 8.715 1.317 18152 11377 1 17 . 1 1 21 21 ILE N N 21 123.799 123.799 126.281 -2.482 18152 11378 1 17 . 1 1 21 21 ILE HA H 21 4.829 4.829 4.841 -0.012 18152 11379 1 17 . 1 1 21 21 ILE C C 21 174.409 174.409 175.035 -0.626 18152 11380 1 17 . 1 1 21 21 ILE CA C 21 58.243 58.243 58.378 -0.135 18152 11381 1 17 . 1 1 21 21 ILE CB C 21 37.477 37.477 38.953 -1.476 18152 11382 1 17 . 1 1 21 21 ILE H H 21 8.614 8.614 9.368 -0.754 18152 11383 1 17 . 1 1 22 22 PRO HA H 22 4.178 4.178 4.368 -0.190 18152 11384 1 17 . 1 1 22 22 PRO CA C 22 65.629 65.629 65.435 0.194 18152 11385 1 17 . 1 1 22 22 PRO CB C 22 31.806 31.806 32.314 -0.508 18152 11386 1 17 . 1 1 23 23 LYS N N 23 118.170 118.170 118.981 -0.811 18152 11387 1 17 . 1 1 23 23 LYS HA H 23 3.943 3.943 4.133 -0.190 18152 11388 1 17 . 1 1 23 23 LYS C C 23 177.231 177.231 177.642 -0.411 18152 11389 1 17 . 1 1 23 23 LYS CA C 23 58.643 58.643 59.098 -0.455 18152 11390 1 17 . 1 1 23 23 LYS CB C 23 33.171 33.171 31.991 1.180 18152 11391 1 17 . 1 1 23 23 LYS H H 23 9.365 9.365 8.375 0.990 18152 11392 1 17 . 1 1 24 24 LEU N N 24 111.984 111.984 116.543 -4.559 18152 11393 1 17 . 1 1 24 24 LEU HA H 24 4.319 4.319 4.563 -0.244 18152 11394 1 17 . 1 1 24 24 LEU C C 24 175.562 175.562 175.823 -0.261 18152 11395 1 17 . 1 1 24 24 LEU CA C 24 52.965 52.965 54.303 -1.338 18152 11396 1 17 . 1 1 24 24 LEU CB C 24 42.473 42.473 41.076 1.397 18152 11397 1 17 . 1 1 24 24 LEU H H 24 6.919 6.919 7.898 -0.979 18152 11398 1 17 . 1 1 25 25 LYS N N 25 115.814 115.814 117.689 -1.875 18152 11399 1 17 . 1 1 25 25 LYS HA H 25 3.849 3.849 3.947 -0.098 18152 11400 1 17 . 1 1 25 25 LYS C C 25 175.297 175.297 175.474 -0.177 18152 11401 1 17 . 1 1 25 25 LYS CA C 25 56.598 56.598 57.598 -1.000 18152 11402 1 17 . 1 1 25 25 LYS CB C 25 28.918 28.918 29.834 -0.916 18152 11403 1 17 . 1 1 25 25 LYS H H 25 7.912 7.912 7.535 0.377 18152 11404 1 17 . 1 1 26 26 LYS N N 26 115.145 115.145 118.875 -3.730 18152 11405 1 17 . 1 1 26 26 LYS HA H 26 4.559 4.559 4.395 0.164 18152 11406 1 17 . 1 1 26 26 LYS C C 26 173.961 173.961 175.016 -1.055 18152 11407 1 17 . 1 1 26 26 LYS CA C 26 53.788 53.788 54.906 -1.118 18152 11408 1 17 . 1 1 26 26 LYS CB C 26 37.483 37.483 35.820 1.663 18152 11409 1 17 . 1 1 26 26 LYS H H 26 6.765 6.765 7.996 -1.231 18152 11410 1 17 . 1 1 27 27 LYS N N 27 119.758 119.758 119.930 -0.172 18152 11411 1 17 . 1 1 27 27 LYS HA H 27 5.452 5.452 5.265 0.187 18152 11412 1 17 . 1 1 27 27 LYS C C 27 175.482 175.482 175.128 0.354 18152 11413 1 17 . 1 1 27 27 LYS CA C 27 53.883 53.883 55.047 -1.164 18152 11414 1 17 . 1 1 27 27 LYS CB C 27 35.855 35.855 35.908 -0.053 18152 11415 1 17 . 1 1 27 27 LYS H H 27 7.885 7.885 7.964 -0.079 18152 11416 1 17 . 1 1 28 28 PHE N N 28 119.077 119.077 121.151 -2.074 18152 11417 1 17 . 1 1 28 28 PHE HA H 28 4.871 4.871 4.894 -0.023 18152 11418 1 17 . 1 1 28 28 PHE C C 28 175.477 175.477 174.453 1.024 18152 11419 1 17 . 1 1 28 28 PHE CA C 28 56.100 56.100 56.946 -0.846 18152 11420 1 17 . 1 1 28 28 PHE CB C 28 42.734 42.734 44.091 -1.357 18152 11421 1 17 . 1 1 28 28 PHE H H 28 9.397 9.397 9.410 -0.013 18152 11422 1 17 . 1 1 29 29 SER N N 29 121.189 121.189 117.603 3.586 18152 11423 1 17 . 1 1 29 29 SER HA H 29 4.848 4.848 4.687 0.161 18152 11424 1 17 . 1 1 29 29 SER C C 29 172.010 172.010 173.243 -1.233 18152 11425 1 17 . 1 1 29 29 SER CA C 29 59.961 59.961 57.823 2.138 18152 11426 1 17 . 1 1 29 29 SER CB C 29 64.433 64.433 64.080 0.353 18152 11427 1 17 . 1 1 29 29 SER H H 29 9.010 9.010 8.726 0.284 18152 11428 1 17 . 1 1 30 30 ILE N N 30 120.881 120.881 125.916 -5.035 18152 11429 1 17 . 1 1 30 30 ILE HA H 30 4.942 4.942 4.369 0.573 18152 11430 1 17 . 1 1 30 30 ILE C C 30 174.874 174.874 174.795 0.079 18152 11431 1 17 . 1 1 30 30 ILE CA C 30 57.775 57.775 58.694 -0.918 18152 11432 1 17 . 1 1 30 30 ILE CB C 30 38.001 38.001 37.152 0.849 18152 11433 1 17 . 1 1 30 30 ILE H H 30 8.084 8.084 8.766 -0.682 18152 11434 1 17 . 1 1 31 31 TYR N N 31 127.573 127.573 126.809 0.764 18152 11435 1 17 . 1 1 31 31 TYR HA H 31 5.299 5.299 4.834 0.465 18152 11436 1 17 . 1 1 31 31 TYR C C 31 174.806 174.806 175.618 -0.812 18152 11437 1 17 . 1 1 31 31 TYR CA C 31 56.120 56.120 56.824 -0.704 18152 11438 1 17 . 1 1 31 31 TYR CB C 31 41.139 41.139 40.479 0.660 18152 11439 1 17 . 1 1 31 31 TYR H H 31 9.174 9.174 8.521 0.653 18152 11440 1 17 . 1 1 32 32 TRP N N 32 121.993 121.993 125.770 -3.777 18152 11441 1 17 . 1 1 32 32 TRP HA H 32 4.583 4.583 4.498 0.085 18152 11442 1 17 . 1 1 32 32 TRP C C 32 175.194 175.194 176.350 -1.156 18152 11443 1 17 . 1 1 32 32 TRP CA C 32 57.396 57.396 59.615 -2.219 18152 11444 1 17 . 1 1 32 32 TRP CB C 32 29.670 29.670 30.695 -1.025 18152 11445 1 17 . 1 1 32 32 TRP H H 32 9.007 9.007 9.151 -0.144 18152 11446 1 17 . 1 1 33 33 GLY N N 33 120.470 120.470 112.702 7.768 18152 11447 1 17 . 1 1 33 33 GLY C C 33 171.936 171.936 171.902 0.034 18152 11448 1 17 . 1 1 33 33 GLY CA C 33 44.532 44.532 44.372 0.160 18152 11449 1 17 . 1 1 33 33 GLY H H 33 7.758 7.758 7.005 0.753 18152 11450 1 17 . 1 1 34 34 ALA N N 34 120.239 120.239 123.774 -3.535 18152 11451 1 17 . 1 1 34 34 ALA HA H 34 4.447 4.447 4.411 0.036 18152 11452 1 17 . 1 1 34 34 ALA C C 34 176.174 176.174 175.608 0.566 18152 11453 1 17 . 1 1 34 34 ALA CA C 34 49.913 49.913 51.544 -1.631 18152 11454 1 17 . 1 1 34 34 ALA CB C 34 18.955 18.955 20.960 -2.005 18152 11455 1 17 . 1 1 34 34 ALA H H 34 7.883 7.883 8.009 -0.126 18152 11456 1 17 . 1 1 35 35 ASP N N 35 118.828 118.828 125.316 -6.488 18152 11457 1 17 . 1 1 35 35 ASP HA H 35 4.450 4.450 4.723 -0.273 18152 11458 1 17 . 1 1 35 35 ASP C C 35 175.990 175.990 176.313 -0.323 18152 11459 1 17 . 1 1 35 35 ASP CA C 35 53.030 53.030 54.221 -1.191 18152 11460 1 17 . 1 1 35 35 ASP CB C 35 41.508 41.508 42.100 -0.592 18152 11461 1 17 . 1 1 35 35 ASP H H 35 7.944 7.944 8.435 -0.491 18152 11462 1 17 . 1 1 36 36 ASP N N 36 121.051 121.051 124.047 -2.996 18152 11463 1 17 . 1 1 36 36 ASP HA H 36 4.335 4.335 4.360 -0.025 18152 11464 1 17 . 1 1 36 36 ASP C C 36 177.296 177.296 177.436 -0.140 18152 11465 1 17 . 1 1 36 36 ASP CA C 36 55.183 55.183 56.259 -1.076 18152 11466 1 17 . 1 1 36 36 ASP CB C 36 39.837 39.837 41.180 -1.343 18152 11467 1 17 . 1 1 36 36 ASP H H 36 8.509 8.509 8.738 -0.229 18152 11468 1 17 . 1 1 37 37 ALA N N 37 119.568 119.568 120.795 -1.227 18152 11469 1 17 . 1 1 37 37 ALA HA H 37 4.060 4.060 4.191 -0.131 18152 11470 1 17 . 1 1 37 37 ALA C C 37 179.598 179.598 177.478 2.120 18152 11471 1 17 . 1 1 37 37 ALA CA C 37 53.967 53.967 53.745 0.222 18152 11472 1 17 . 1 1 37 37 ALA CB C 37 18.009 18.009 18.905 -0.896 18152 11473 1 17 . 1 1 37 37 ALA H H 37 8.169 8.169 8.159 0.010 18152 11474 1 17 . 1 1 38 38 THR HA H 38 3.850 3.850 4.330 -0.480 18152 11475 1 17 . 1 1 38 38 THR CA C 38 68.437 68.437 60.879 7.558 18152 11476 1 17 . 1 1 38 38 THR CB C 38 72.916 72.916 70.391 2.525 18152 11477 1 17 . 1 1 38 38 THR H H 38 7.621 7.621 6.946 0.675 18152 11478 1 17 . 1 1 42 42 GLY N N 42 106.310 106.310 104.804 1.506 18152 11479 1 17 . 1 1 42 42 GLY CA C 42 46.480 46.480 44.650 1.830 18152 11480 1 17 . 1 1 43 43 VAL N N 43 121.961 121.961 119.279 2.682 18152 11481 1 17 . 1 1 43 43 VAL HA H 43 4.481 4.481 4.526 -0.045 18152 11482 1 17 . 1 1 43 43 VAL C C 43 174.308 174.308 174.524 -0.216 18152 11483 1 17 . 1 1 43 43 VAL CA C 43 61.079 61.079 59.238 1.841 18152 11484 1 17 . 1 1 43 43 VAL CB C 43 32.911 32.911 30.378 2.533 18152 11485 1 17 . 1 1 43 43 VAL H H 43 8.247 8.247 7.621 0.626 18152 11486 1 17 . 1 1 44 44 GLY N N 44 114.325 114.325 113.974 0.351 18152 11487 1 17 . 1 1 44 44 GLY C C 44 172.465 172.465 171.899 0.566 18152 11488 1 17 . 1 1 44 44 GLY CA C 44 43.458 43.458 44.087 -0.629 18152 11489 1 17 . 1 1 44 44 GLY H H 44 9.063 9.063 8.598 0.465 18152 11490 1 17 . 1 1 45 45 MET N N 45 125.031 125.031 122.821 2.210 18152 11491 1 17 . 1 1 45 45 MET HA H 45 4.742 4.742 5.194 -0.452 18152 11492 1 17 . 1 1 45 45 MET C C 45 173.873 173.873 174.002 -0.129 18152 11493 1 17 . 1 1 45 45 MET CA C 45 54.084 54.084 53.204 0.880 18152 11494 1 17 . 1 1 45 45 MET CB C 45 34.548 34.548 35.101 -0.553 18152 11495 1 17 . 1 1 45 45 MET H H 45 8.966 8.966 9.027 -0.061 18152 11496 1 17 . 1 1 46 46 PHE N N 46 127.637 127.637 126.774 0.863 18152 11497 1 17 . 1 1 46 46 PHE HA H 46 3.611 3.611 4.305 -0.694 18152 11498 1 17 . 1 1 46 46 PHE C C 46 175.023 175.023 174.214 0.809 18152 11499 1 17 . 1 1 46 46 PHE CA C 46 59.286 59.286 58.248 1.038 18152 11500 1 17 . 1 1 46 46 PHE CB C 46 40.644 40.644 40.288 0.356 18152 11501 1 17 . 1 1 46 46 PHE H H 46 8.790 8.790 8.303 0.487 18152 11502 1 17 . 1 1 47 47 VAL N N 47 130.695 130.695 127.293 3.402 18152 11503 1 17 . 1 1 47 47 VAL HA H 47 3.663 3.663 3.784 -0.121 18152 11504 1 17 . 1 1 47 47 VAL C C 47 174.235 174.235 174.504 -0.269 18152 11505 1 17 . 1 1 47 47 VAL CA C 47 61.455 61.455 61.592 -0.137 18152 11506 1 17 . 1 1 47 47 VAL CB C 47 32.002 32.002 32.865 -0.863 18152 11507 1 17 . 1 1 47 47 VAL H H 47 7.942 7.942 7.259 0.683 18152 11508 1 17 . 1 1 48 48 SER N N 48 120.391 120.391 121.622 -1.231 18152 11509 1 17 . 1 1 48 48 SER HA H 48 4.626 4.626 4.593 0.033 18152 11510 1 17 . 1 1 48 48 SER C C 48 173.167 173.167 173.104 0.063 18152 11511 1 17 . 1 1 48 48 SER CA C 48 57.384 57.384 57.198 0.186 18152 11512 1 17 . 1 1 48 48 SER CB C 48 65.720 65.720 66.208 -0.488 18152 11513 1 17 . 1 1 48 48 SER H H 48 7.971 7.971 8.067 -0.096 18152 11514 1 17 . 1 1 49 49 ASP N N 49 117.498 117.498 120.816 -3.318 18152 11515 1 17 . 1 1 49 49 ASP HA H 49 4.603 4.603 4.517 0.086 18152 11516 1 17 . 1 1 49 49 ASP C C 49 174.539 174.539 177.661 -3.122 18152 11517 1 17 . 1 1 49 49 ASP CA C 49 55.222 55.222 55.982 -0.760 18152 11518 1 17 . 1 1 49 49 ASP CB C 49 40.206 40.206 41.295 -1.089 18152 11519 1 17 . 1 1 49 49 ASP H H 49 8.701 8.701 8.760 -0.059 18152 11520 1 17 . 1 1 50 50 VAL N N 50 109.465 109.465 113.733 -4.268 18152 11521 1 17 . 1 1 50 50 VAL HA H 50 4.455 4.455 4.200 0.255 18152 11522 1 17 . 1 1 50 50 VAL C C 50 174.487 174.487 176.036 -1.549 18152 11523 1 17 . 1 1 50 50 VAL CA C 50 60.840 60.840 63.262 -2.422 18152 11524 1 17 . 1 1 50 50 VAL CB C 50 32.067 32.067 31.831 0.236 18152 11525 1 17 . 1 1 50 50 VAL H H 50 7.770 7.770 7.962 -0.192 18152 11526 1 17 . 1 1 51 51 THR N N 51 110.572 110.572 112.128 -1.556 18152 11527 1 17 . 1 1 51 51 THR HA H 51 5.293 5.293 4.380 0.913 18152 11528 1 17 . 1 1 51 51 THR C C 51 174.591 174.591 174.671 -0.080 18152 11529 1 17 . 1 1 51 51 THR CA C 51 58.487 58.487 61.993 -3.506 18152 11530 1 17 . 1 1 51 51 THR CB C 51 71.674 71.674 69.649 2.025 18152 11531 1 17 . 1 1 51 51 THR H H 51 7.095 7.095 7.622 -0.527 18152 11532 1 17 . 1 1 52 52 THR N N 52 109.706 109.706 115.465 -5.759 18152 11533 1 17 . 1 1 52 52 THR HA H 52 4.988 4.988 4.804 0.184 18152 11534 1 17 . 1 1 52 52 THR C C 52 177.060 177.060 173.161 3.899 18152 11535 1 17 . 1 1 52 52 THR CA C 52 59.777 59.777 60.237 -0.460 18152 11536 1 17 . 1 1 52 52 THR CB C 52 72.911 72.911 71.040 1.871 18152 11537 1 17 . 1 1 52 52 THR H H 52 8.836 8.836 9.106 -0.270 18152 11538 1 17 . 1 1 53 53 THR N N 53 113.970 113.970 114.989 -1.019 18152 11539 1 17 . 1 1 53 53 THR HA H 53 4.601 4.601 4.814 -0.213 18152 11540 1 17 . 1 1 53 53 THR C C 53 176.085 176.085 173.148 2.937 18152 11541 1 17 . 1 1 53 53 THR CA C 53 60.920 60.920 59.898 1.022 18152 11542 1 17 . 1 1 53 53 THR CB C 53 67.192 67.192 69.656 -2.464 18152 11543 1 17 . 1 1 53 53 THR H H 53 8.857 8.857 8.346 0.511 18152 11544 1 17 . 1 1 54 54 PRO HA H 54 4.023 4.023 4.601 -0.578 18152 11545 1 17 . 1 1 54 54 PRO CA C 54 64.658 64.658 62.688 1.970 18152 11546 1 17 . 1 1 54 54 PRO CB C 54 29.665 29.665 30.426 -0.761 18152 11547 1 17 . 1 1 55 55 SER N N 55 105.932 105.932 116.977 -11.045 18152 11548 1 17 . 1 1 55 55 SER HA H 55 4.448 4.448 4.155 0.293 18152 11549 1 17 . 1 1 55 55 SER C C 55 176.253 176.253 173.922 2.331 18152 11550 1 17 . 1 1 55 55 SER CA C 55 58.086 58.086 57.375 0.711 18152 11551 1 17 . 1 1 55 55 SER CB C 55 62.950 62.950 64.263 -1.313 18152 11552 1 17 . 1 1 55 55 SER H H 55 6.879 6.879 7.907 -1.028 18152 11553 1 17 . 1 1 56 56 GLY N N 56 109.826 109.826 109.034 0.792 18152 11554 1 17 . 1 1 56 56 GLY C C 56 175.832 175.832 174.215 1.617 18152 11555 1 17 . 1 1 56 56 GLY CA C 56 45.213 45.213 45.342 -0.129 18152 11556 1 17 . 1 1 56 56 GLY H H 56 7.733 7.733 7.378 0.355 18152 11557 1 17 . 1 1 57 57 GLY N N 57 105.805 105.805 111.276 -5.471 18152 11558 1 17 . 1 1 57 57 GLY C C 57 172.905 172.905 173.398 -0.493 18152 11559 1 17 . 1 1 57 57 GLY CA C 57 46.480 46.480 45.571 0.909 18152 11560 1 17 . 1 1 57 57 GLY H H 57 7.481 7.481 8.726 -1.245 18152 11561 1 17 . 1 1 58 58 GLY N N 58 109.086 109.086 109.099 -0.013 18152 11562 1 17 . 1 1 58 58 GLY C C 58 172.807 172.807 172.533 0.274 18152 11563 1 17 . 1 1 58 58 GLY CA C 58 43.642 43.642 44.577 -0.935 18152 11564 1 17 . 1 1 58 58 GLY H H 58 7.549 7.549 7.863 -0.314 18152 11565 1 17 . 1 1 59 59 HIS N N 59 127.776 127.776 121.524 6.252 18152 11566 1 17 . 1 1 59 59 HIS HA H 59 5.162 5.162 4.980 0.182 18152 11567 1 17 . 1 1 59 59 HIS C C 59 174.930 174.930 174.142 0.788 18152 11568 1 17 . 1 1 59 59 HIS CA C 59 52.820 52.820 55.111 -2.291 18152 11569 1 17 . 1 1 59 59 HIS CB C 59 30.250 30.250 30.602 -0.352 18152 11570 1 17 . 1 1 59 59 HIS H H 59 9.517 9.517 8.722 0.795 18152 11571 1 17 . 1 1 60 60 THR N N 60 127.768 127.768 125.408 2.360 18152 11572 1 17 . 1 1 60 60 THR HA H 60 4.870 4.870 5.060 -0.190 18152 11573 1 17 . 1 1 60 60 THR C C 60 171.847 171.847 173.024 -1.177 18152 11574 1 17 . 1 1 60 60 THR CA C 60 61.358 61.358 61.569 -0.211 18152 11575 1 17 . 1 1 60 60 THR CB C 60 69.821 69.821 70.231 -0.410 18152 11576 1 17 . 1 1 60 60 THR H H 60 9.769 9.769 9.160 0.609 18152 11577 1 17 . 1 1 61 61 VAL N N 61 126.493 126.493 127.132 -0.639 18152 11578 1 17 . 1 1 61 61 VAL HA H 61 4.641 4.641 4.930 -0.289 18152 11579 1 17 . 1 1 61 61 VAL C C 61 173.794 173.794 174.316 -0.522 18152 11580 1 17 . 1 1 61 61 VAL CA C 61 59.808 59.808 60.823 -1.015 18152 11581 1 17 . 1 1 61 61 VAL CB C 61 33.334 33.334 33.835 -0.501 18152 11582 1 17 . 1 1 61 61 VAL H H 61 8.534 8.534 8.791 -0.257 18152 11583 1 17 . 1 1 62 62 LEU N N 62 126.342 126.342 128.135 -1.793 18152 11584 1 17 . 1 1 62 62 LEU HA H 62 5.345 5.345 5.245 0.100 18152 11585 1 17 . 1 1 62 62 LEU C C 62 175.554 175.554 175.375 0.179 18152 11586 1 17 . 1 1 62 62 LEU CA C 62 51.143 51.143 53.126 -1.983 18152 11587 1 17 . 1 1 62 62 LEU CB C 62 43.344 43.344 45.373 -2.029 18152 11588 1 17 . 1 1 62 62 LEU H H 62 9.284 9.284 9.382 -0.098 18152 11589 1 17 . 1 1 63 63 SER N N 63 116.370 116.370 116.483 -0.113 18152 11590 1 17 . 1 1 63 63 SER HA H 63 5.328 5.328 5.810 -0.482 18152 11591 1 17 . 1 1 63 63 SER C C 63 174.576 174.576 173.375 1.201 18152 11592 1 17 . 1 1 63 63 SER CA C 63 54.893 54.893 56.050 -1.157 18152 11593 1 17 . 1 1 63 63 SER CB C 63 64.901 64.901 65.576 -0.675 18152 11594 1 17 . 1 1 63 63 SER H H 63 9.117 9.117 9.101 0.016 18152 11595 1 17 . 1 1 64 64 GLY N N 64 111.783 111.783 111.594 0.189 18152 11596 1 17 . 1 1 64 64 GLY C C 64 173.058 173.058 171.444 1.614 18152 11597 1 17 . 1 1 64 64 GLY CA C 64 45.547 45.547 44.831 0.716 18152 11598 1 17 . 1 1 64 64 GLY H H 64 8.723 8.723 8.043 0.680 18152 11599 1 17 . 1 1 74 74 GLY C C 74 173.703 173.703 175.614 -1.911 18152 11600 1 17 . 1 1 74 74 GLY CA C 74 45.507 45.507 46.517 -1.010 18152 11601 1 17 . 1 1 75 75 GLN N N 75 116.093 116.093 119.065 -2.972 18152 11602 1 17 . 1 1 75 75 GLN HA H 75 4.229 4.229 4.159 0.070 18152 11603 1 17 . 1 1 75 75 GLN C C 75 177.319 177.319 176.730 0.589 18152 11604 1 17 . 1 1 75 75 GLN CA C 75 56.016 56.016 57.903 -1.887 18152 11605 1 17 . 1 1 75 75 GLN CB C 75 29.310 29.310 29.536 -0.226 18152 11606 1 17 . 1 1 75 75 GLN H H 75 7.598 7.598 7.716 -0.118 18152 11607 1 17 . 1 1 76 76 LEU N N 76 117.894 117.894 115.165 2.729 18152 11608 1 17 . 1 1 76 76 LEU HA H 76 4.373 4.373 4.805 -0.432 18152 11609 1 17 . 1 1 76 76 LEU C C 76 175.639 175.639 174.659 0.980 18152 11610 1 17 . 1 1 76 76 LEU CA C 76 54.578 54.578 54.202 0.376 18152 11611 1 17 . 1 1 76 76 LEU CB C 76 41.720 41.720 41.847 -0.127 18152 11612 1 17 . 1 1 76 76 LEU H H 76 7.285 7.285 7.575 -0.290 18152 11613 1 17 . 1 1 77 77 LYS N N 77 122.287 122.287 119.616 2.671 18152 11614 1 17 . 1 1 77 77 LYS HA H 77 4.545 4.545 4.386 0.159 18152 11615 1 17 . 1 1 77 77 LYS C C 77 175.553 175.553 176.145 -0.592 18152 11616 1 17 . 1 1 77 77 LYS CA C 77 53.336 53.336 56.286 -2.950 18152 11617 1 17 . 1 1 77 77 LYS CB C 77 36.380 36.380 34.644 1.736 18152 11618 1 17 . 1 1 77 77 LYS H H 77 9.513 9.513 8.092 1.421 18152 11619 1 17 . 1 1 78 78 GLU N N 78 118.949 118.949 121.026 -2.077 18152 11620 1 17 . 1 1 78 78 GLU HA H 78 3.523 3.523 4.456 -0.933 18152 11621 1 17 . 1 1 78 78 GLU C C 78 177.053 177.053 177.044 0.009 18152 11622 1 17 . 1 1 78 78 GLU CA C 78 59.205 59.205 58.541 0.665 18152 11623 1 17 . 1 1 78 78 GLU CB C 78 28.284 28.284 29.741 -1.457 18152 11624 1 17 . 1 1 78 78 GLU H H 78 8.900 8.900 8.934 -0.034 18152 11625 1 17 . 1 1 79 79 LYS N N 79 114.843 114.843 115.741 -0.898 18152 11626 1 17 . 1 1 79 79 LYS HA H 79 3.751 3.751 4.422 -0.671 18152 11627 1 17 . 1 1 79 79 LYS C C 79 176.434 176.434 176.167 0.267 18152 11628 1 17 . 1 1 79 79 LYS CA C 79 59.231 59.231 56.726 2.505 18152 11629 1 17 . 1 1 79 79 LYS CB C 79 29.657 29.657 32.530 -2.873 18152 11630 1 17 . 1 1 79 79 LYS H H 79 8.909 8.909 7.992 0.917 18152 11631 1 17 . 1 1 80 80 ASP N N 80 119.664 119.664 121.085 -1.421 18152 11632 1 17 . 1 1 80 80 ASP HA H 80 4.946 4.946 4.641 0.305 18152 11633 1 17 . 1 1 80 80 ASP C C 80 175.886 175.886 174.758 1.128 18152 11634 1 17 . 1 1 80 80 ASP CA C 80 55.661 55.661 54.872 0.789 18152 11635 1 17 . 1 1 80 80 ASP CB C 80 41.782 41.782 42.023 -0.241 18152 11636 1 17 . 1 1 80 80 ASP H H 80 8.052 8.052 7.595 0.457 18152 11637 1 17 . 1 1 81 81 THR N N 81 111.597 111.597 115.765 -4.168 18152 11638 1 17 . 1 1 81 81 THR HA H 81 5.321 5.321 4.981 0.340 18152 11639 1 17 . 1 1 81 81 THR C C 81 174.221 174.221 173.873 0.348 18152 11640 1 17 . 1 1 81 81 THR CA C 81 61.103 61.103 61.356 -0.253 18152 11641 1 17 . 1 1 81 81 THR CB C 81 71.264 71.264 70.968 0.296 18152 11642 1 17 . 1 1 81 81 THR H H 81 8.083 8.083 8.301 -0.218 18152 11643 1 17 . 1 1 82 82 LEU N N 82 120.358 120.358 127.173 -6.815 18152 11644 1 17 . 1 1 82 82 LEU HA H 82 4.836 4.836 4.692 0.144 18152 11645 1 17 . 1 1 82 82 LEU C C 82 174.850 174.850 176.143 -1.293 18152 11646 1 17 . 1 1 82 82 LEU CA C 82 53.721 53.721 54.214 -0.493 18152 11647 1 17 . 1 1 82 82 LEU CB C 82 45.655 45.655 43.127 2.528 18152 11648 1 17 . 1 1 82 82 LEU H H 82 8.684 8.684 8.990 -0.306 18152 11649 1 17 . 1 1 83 83 VAL N N 83 121.834 121.834 123.489 -1.655 18152 11650 1 17 . 1 1 83 83 VAL HA H 83 5.269 5.269 5.308 -0.039 18152 11651 1 17 . 1 1 83 83 VAL C C 83 174.766 174.766 175.530 -0.764 18152 11652 1 17 . 1 1 83 83 VAL CA C 83 61.157 61.157 61.055 0.102 18152 11653 1 17 . 1 1 83 83 VAL CB C 83 34.923 34.923 32.850 2.073 18152 11654 1 17 . 1 1 83 83 VAL H H 83 8.670 8.670 8.682 -0.012 18152 11655 1 17 . 1 1 84 84 LEU N N 84 129.811 129.811 130.202 -0.391 18152 11656 1 17 . 1 1 84 84 LEU HA H 84 5.647 5.647 5.015 0.632 18152 11657 1 17 . 1 1 84 84 LEU C C 84 175.644 175.644 176.190 -0.546 18152 11658 1 17 . 1 1 84 84 LEU CA C 84 53.160 53.160 53.864 -0.704 18152 11659 1 17 . 1 1 84 84 LEU CB C 84 46.815 46.815 42.737 4.078 18152 11660 1 17 . 1 1 84 84 LEU H H 84 10.025 10.025 9.412 0.612 18152 11661 1 17 . 1 1 85 85 GLU N N 85 125.273 125.273 125.721 -0.448 18152 11662 1 17 . 1 1 85 85 GLU HA H 85 5.293 5.293 5.284 0.009 18152 11663 1 17 . 1 1 85 85 GLU C C 85 175.910 175.910 175.104 0.806 18152 11664 1 17 . 1 1 85 85 GLU CA C 85 54.716 54.716 55.554 -0.838 18152 11665 1 17 . 1 1 85 85 GLU CB C 85 30.904 30.904 30.936 -0.032 18152 11666 1 17 . 1 1 85 85 GLU H H 85 9.117 9.117 8.877 0.240 18152 11667 1 17 . 1 1 86 86 TYR N N 86 125.299 125.299 125.959 -0.660 18152 11668 1 17 . 1 1 86 86 TYR HA H 86 4.825 4.825 4.737 0.088 18152 11669 1 17 . 1 1 86 86 TYR C C 86 174.077 174.077 174.629 -0.552 18152 11670 1 17 . 1 1 86 86 TYR CA C 86 57.516 57.516 57.949 -0.433 18152 11671 1 17 . 1 1 86 86 TYR CB C 86 41.720 41.720 42.547 -0.827 18152 11672 1 17 . 1 1 86 86 TYR H H 86 9.056 9.056 9.224 -0.168 18152 11673 1 17 . 1 1 87 87 ASP N N 87 131.006 131.006 128.464 2.542 18152 11674 1 17 . 1 1 87 87 ASP HA H 87 3.921 3.921 4.337 -0.416 18152 11675 1 17 . 1 1 87 87 ASP C C 87 171.773 171.773 175.776 -4.003 18152 11676 1 17 . 1 1 87 87 ASP CA C 87 54.613 54.613 55.341 -0.728 18152 11677 1 17 . 1 1 87 87 ASP CB C 87 39.659 39.659 39.842 -0.183 18152 11678 1 17 . 1 1 87 87 ASP H H 87 9.071 9.071 9.354 -0.283 18152 11679 1 17 . 1 1 88 88 ASN N N 88 109.843 109.843 111.149 -1.306 18152 11680 1 17 . 1 1 88 88 ASN HA H 88 4.159 4.159 4.370 -0.211 18152 11681 1 17 . 1 1 88 88 ASN C C 88 173.995 173.995 174.200 -0.205 18152 11682 1 17 . 1 1 88 88 ASN CA C 88 54.528 54.528 55.051 -0.523 18152 11683 1 17 . 1 1 88 88 ASN CB C 88 37.383 37.383 38.429 -1.046 18152 11684 1 17 . 1 1 88 88 ASN H H 88 8.613 8.613 8.816 -0.203 18152 11685 1 17 . 1 1 89 89 LYS N N 89 119.021 119.021 118.731 0.290 18152 11686 1 17 . 1 1 89 89 LYS HA H 89 4.714 4.714 4.819 -0.105 18152 11687 1 17 . 1 1 89 89 LYS C C 89 174.644 174.644 175.755 -1.111 18152 11688 1 17 . 1 1 89 89 LYS CA C 89 55.133 55.133 55.649 -0.516 18152 11689 1 17 . 1 1 89 89 LYS CB C 89 36.460 36.460 35.598 0.862 18152 11690 1 17 . 1 1 89 89 LYS H H 89 7.903 7.903 7.984 -0.081 18152 11691 1 17 . 1 1 90 90 THR N N 90 117.141 117.141 117.848 -0.707 18152 11692 1 17 . 1 1 90 90 THR HA H 90 4.819 4.819 5.348 -0.529 18152 11693 1 17 . 1 1 90 90 THR C C 90 172.823 172.823 173.830 -1.007 18152 11694 1 17 . 1 1 90 90 THR CA C 90 61.745 61.745 61.190 0.555 18152 11695 1 17 . 1 1 90 90 THR CB C 90 69.709 69.709 70.282 -0.573 18152 11696 1 17 . 1 1 90 90 THR H H 90 8.451 8.451 9.110 -0.659 18152 11697 1 17 . 1 1 91 91 TYR N N 91 127.333 127.333 127.037 0.296 18152 11698 1 17 . 1 1 91 91 TYR HA H 91 4.620 4.620 4.772 -0.152 18152 11699 1 17 . 1 1 91 91 TYR C C 91 174.313 174.313 175.783 -1.470 18152 11700 1 17 . 1 1 91 91 TYR CA C 91 56.764 56.764 56.708 0.056 18152 11701 1 17 . 1 1 91 91 TYR CB C 91 41.054 41.054 40.720 0.334 18152 11702 1 17 . 1 1 91 91 TYR H H 91 9.552 9.552 9.705 -0.153 18152 11703 1 17 . 1 1 92 92 THR N N 92 117.709 117.709 119.499 -1.790 18152 11704 1 17 . 1 1 92 92 THR HA H 92 4.941 4.941 4.679 0.262 18152 11705 1 17 . 1 1 92 92 THR C C 92 172.464 172.464 173.389 -0.925 18152 11706 1 17 . 1 1 92 92 THR CA C 92 61.320 61.320 61.703 -0.383 18152 11707 1 17 . 1 1 92 92 THR CB C 92 69.546 69.546 68.697 0.849 18152 11708 1 17 . 1 1 92 92 THR H H 92 8.705 8.705 8.870 -0.165 18152 11709 1 17 . 1 1 93 93 TYR N N 93 122.946 122.946 126.720 -3.774 18152 11710 1 17 . 1 1 93 93 TYR HA H 93 5.431 5.431 5.305 0.126 18152 11711 1 17 . 1 1 93 93 TYR C C 93 174.846 174.846 175.303 -0.457 18152 11712 1 17 . 1 1 93 93 TYR CA C 93 55.804 55.804 56.739 -0.935 18152 11713 1 17 . 1 1 93 93 TYR CB C 93 42.627 42.627 42.106 0.521 18152 11714 1 17 . 1 1 93 93 TYR H H 93 9.381 9.381 9.678 -0.297 18152 11715 1 17 . 1 1 94 94 GLU N N 94 121.240 121.240 120.051 1.189 18152 11716 1 17 . 1 1 94 94 GLU HA H 94 4.901 4.901 5.098 -0.197 18152 11717 1 17 . 1 1 94 94 GLU C C 94 177.060 177.060 176.260 0.800 18152 11718 1 17 . 1 1 94 94 GLU CA C 94 54.073 54.073 54.161 -0.088 18152 11719 1 17 . 1 1 94 94 GLU CB C 94 33.787 33.787 32.939 0.848 18152 11720 1 17 . 1 1 94 94 GLU H H 94 9.100 9.100 9.304 -0.204 18152 11721 1 17 . 1 1 95 95 ILE N N 95 128.525 128.525 125.185 3.340 18152 11722 1 17 . 1 1 95 95 ILE HA H 95 3.737 3.737 4.142 -0.405 18152 11723 1 17 . 1 1 95 95 ILE C C 95 176.261 176.261 176.619 -0.358 18152 11724 1 17 . 1 1 95 95 ILE CA C 95 64.664 64.664 63.045 1.619 18152 11725 1 17 . 1 1 95 95 ILE CB C 95 37.472 37.472 36.456 1.016 18152 11726 1 17 . 1 1 95 95 ILE H H 95 9.293 9.293 8.505 0.788 18152 11727 1 17 . 1 1 96 96 GLN N N 96 127.221 127.221 128.295 -1.074 18152 11728 1 17 . 1 1 96 96 GLN HA H 96 4.831 4.831 4.345 0.486 18152 11729 1 17 . 1 1 96 96 GLN C C 96 174.674 174.674 176.071 -1.397 18152 11730 1 17 . 1 1 96 96 GLN CA C 96 54.632 54.632 57.262 -2.630 18152 11731 1 17 . 1 1 96 96 GLN CB C 96 31.165 31.165 30.095 1.071 18152 11732 1 17 . 1 1 96 96 GLN H H 96 10.106 10.106 8.542 1.564 18152 11733 1 17 . 1 1 97 97 LYS N N 97 120.717 120.717 117.997 2.720 18152 11734 1 17 . 1 1 97 97 LYS HA H 97 4.658 4.658 4.627 0.031 18152 11735 1 17 . 1 1 97 97 LYS C C 97 173.200 173.200 174.377 -1.177 18152 11736 1 17 . 1 1 97 97 LYS CA C 97 56.528 56.528 55.598 0.930 18152 11737 1 17 . 1 1 97 97 LYS CB C 97 36.462 36.462 35.100 1.362 18152 11738 1 17 . 1 1 97 97 LYS H H 97 7.958 7.958 7.734 0.224 18152 11739 1 17 . 1 1 98 98 ILE N N 98 125.089 125.089 124.511 0.578 18152 11740 1 17 . 1 1 98 98 ILE HA H 98 5.221 5.221 4.705 0.516 18152 11741 1 17 . 1 1 98 98 ILE C C 98 175.821 175.821 175.767 0.054 18152 11742 1 17 . 1 1 98 98 ILE CA C 98 60.078 60.078 60.225 -0.147 18152 11743 1 17 . 1 1 98 98 ILE CB C 98 42.082 42.082 39.676 2.406 18152 11744 1 17 . 1 1 98 98 ILE H H 98 8.458 8.458 8.553 -0.095 18152 11745 1 17 . 1 1 99 99 TRP N N 99 129.003 129.003 126.993 2.010 18152 11746 1 17 . 1 1 99 99 TRP HA H 99 4.661 4.661 4.960 -0.299 18152 11747 1 17 . 1 1 99 99 TRP C C 99 170.353 170.353 172.861 -2.508 18152 11748 1 17 . 1 1 99 99 TRP CA C 99 56.388 56.388 55.695 0.693 18152 11749 1 17 . 1 1 99 99 TRP CB C 99 31.158 31.158 30.482 0.676 18152 11750 1 17 . 1 1 99 99 TRP H H 99 9.291 9.291 8.196 1.095 18152 11751 1 17 . 1 1 100 100 ILE N N 100 117.739 117.739 120.128 -2.389 18152 11752 1 17 . 1 1 100 100 ILE HA H 100 4.616 4.616 4.784 -0.168 18152 11753 1 17 . 1 1 100 100 ILE C C 100 176.258 176.258 175.455 0.803 18152 11754 1 17 . 1 1 100 100 ILE CA C 100 58.973 58.973 60.290 -1.317 18152 11755 1 17 . 1 1 100 100 ILE CB C 100 40.734 40.734 40.978 -0.244 18152 11756 1 17 . 1 1 100 100 ILE H H 100 7.778 7.778 8.377 -0.599 18152 11757 1 17 . 1 1 101 101 THR N N 101 120.676 120.676 121.077 -0.401 18152 11758 1 17 . 1 1 101 101 THR HA H 101 4.755 4.755 4.779 -0.024 18152 11759 1 17 . 1 1 101 101 THR C C 101 172.069 172.069 172.868 -0.799 18152 11760 1 17 . 1 1 101 101 THR CA C 101 57.557 57.557 59.221 -1.664 18152 11761 1 17 . 1 1 101 101 THR CB C 101 70.656 70.656 70.958 -0.302 18152 11762 1 17 . 1 1 101 101 THR H H 101 8.587 8.587 8.460 0.127 18152 11763 1 17 . 1 1 102 102 HIS N N 102 119.885 119.885 121.397 -1.512 18152 11764 1 17 . 1 1 102 102 HIS HA H 102 5.401 5.401 4.442 0.959 18152 11765 1 17 . 1 1 102 102 HIS C C 102 176.781 176.781 176.394 0.387 18152 11766 1 17 . 1 1 102 102 HIS CA C 102 54.482 54.482 57.457 -2.975 18152 11767 1 17 . 1 1 102 102 HIS CB C 102 31.240 31.240 31.178 0.062 18152 11768 1 17 . 1 1 102 102 HIS H H 102 8.194 8.194 8.760 -0.566 18152 11769 1 17 . 1 1 103 103 ALA N N 103 121.632 121.632 126.937 -5.305 18152 11770 1 17 . 1 1 103 103 ALA HA H 103 3.710 3.710 4.115 -0.405 18152 11771 1 17 . 1 1 103 103 ALA C C 103 177.587 177.587 177.549 0.038 18152 11772 1 17 . 1 1 103 103 ALA CA C 103 54.899 54.899 53.925 0.974 18152 11773 1 17 . 1 1 103 103 ALA CB C 103 17.981 17.981 18.959 -0.978 18152 11774 1 17 . 1 1 103 103 ALA H H 103 8.405 8.405 9.236 -0.831 18152 11775 1 17 . 1 1 104 104 ASP N N 104 114.513 114.513 116.441 -1.928 18152 11776 1 17 . 1 1 104 104 ASP HA H 104 4.603 4.603 4.690 -0.087 18152 11777 1 17 . 1 1 104 104 ASP C C 104 175.283 175.283 175.459 -0.176 18152 11778 1 17 . 1 1 104 104 ASP CA C 104 53.070 53.070 54.579 -1.509 18152 11779 1 17 . 1 1 104 104 ASP CB C 104 40.034 40.034 41.092 -1.058 18152 11780 1 17 . 1 1 104 104 ASP H H 104 8.314 8.314 7.789 0.525 18152 11781 1 17 . 1 1 105 105 ASP N N 105 119.184 119.184 121.182 -1.998 18152 11782 1 17 . 1 1 105 105 ASP HA H 105 4.170 4.170 4.748 -0.578 18152 11783 1 17 . 1 1 105 105 ASP C C 105 177.674 177.674 176.854 0.820 18152 11784 1 17 . 1 1 105 105 ASP CA C 105 54.268 54.268 52.966 1.302 18152 11785 1 17 . 1 1 105 105 ASP CB C 105 39.846 39.846 40.774 -0.928 18152 11786 1 17 . 1 1 105 105 ASP H H 105 7.043 7.043 7.672 -0.629 18152 11787 1 17 . 1 1 106 106 ARG N N 106 127.998 127.998 127.131 0.867 18152 11788 1 17 . 1 1 106 106 ARG HA H 106 4.368 4.368 4.123 0.245 18152 11789 1 17 . 1 1 106 106 ARG C C 106 177.709 177.709 177.994 -0.285 18152 11790 1 17 . 1 1 106 106 ARG CA C 106 55.888 55.888 58.521 -2.633 18152 11791 1 17 . 1 1 106 106 ARG CB C 106 29.264 29.264 29.857 -0.593 18152 11792 1 17 . 1 1 106 106 ARG H H 106 8.921 8.921 8.041 0.880 18152 11793 1 17 . 1 1 107 107 THR N N 107 111.880 111.880 113.629 -1.749 18152 11794 1 17 . 1 1 107 107 THR HA H 107 4.139 4.139 4.083 0.056 18152 11795 1 17 . 1 1 107 107 THR C C 107 173.548 173.548 175.174 -1.626 18152 11796 1 17 . 1 1 107 107 THR CA C 107 62.350 62.350 65.540 -3.190 18152 11797 1 17 . 1 1 107 107 THR CB C 107 68.935 68.935 68.153 0.782 18152 11798 1 17 . 1 1 107 107 THR H H 107 8.857 8.857 8.226 0.631 18152 11799 1 17 . 1 1 108 108 VAL N N 108 118.971 118.971 116.450 2.521 18152 11800 1 17 . 1 1 108 108 VAL HA H 108 3.942 3.942 4.341 -0.399 18152 11801 1 17 . 1 1 108 108 VAL C C 108 176.853 176.853 175.603 1.250 18152 11802 1 17 . 1 1 108 108 VAL CA C 108 63.878 63.878 62.740 1.138 18152 11803 1 17 . 1 1 108 108 VAL CB C 108 32.470 32.470 33.090 -0.619 18152 11804 1 17 . 1 1 108 108 VAL H H 108 6.811 6.811 7.465 -0.654 18152 11805 1 17 . 1 1 109 109 ILE N N 109 120.334 120.334 119.135 1.199 18152 11806 1 17 . 1 1 109 109 ILE HA H 109 3.438 3.438 4.316 -0.878 18152 11807 1 17 . 1 1 109 109 ILE C C 109 173.191 173.191 176.550 -3.359 18152 11808 1 17 . 1 1 109 109 ILE CA C 109 60.963 60.963 60.463 0.500 18152 11809 1 17 . 1 1 109 109 ILE CB C 109 33.933 33.933 37.840 -3.907 18152 11810 1 17 . 1 1 109 109 ILE H H 109 8.053 8.053 8.261 -0.208 18152 11811 1 17 . 1 1 110 110 ILE N N 110 118.981 118.981 119.346 -0.365 18152 11812 1 17 . 1 1 110 110 ILE HA H 110 4.542 4.542 4.457 0.085 18152 11813 1 17 . 1 1 110 110 ILE C C 110 174.405 174.405 174.483 -0.078 18152 11814 1 17 . 1 1 110 110 ILE CA C 110 57.932 57.932 59.650 -1.718 18152 11815 1 17 . 1 1 110 110 ILE CB C 110 42.146 42.146 38.348 3.798 18152 11816 1 17 . 1 1 110 110 ILE H H 110 6.877 6.877 7.741 -0.864 18152 11817 1 17 . 1 1 111 111 LYS N N 111 123.307 123.307 118.712 4.595 18152 11818 1 17 . 1 1 111 111 LYS HA H 111 4.609 4.609 4.839 -0.230 18152 11819 1 17 . 1 1 111 111 LYS C C 111 176.528 176.528 175.637 0.891 18152 11820 1 17 . 1 1 111 111 LYS CA C 111 56.695 56.695 55.209 1.486 18152 11821 1 17 . 1 1 111 111 LYS CB C 111 33.092 33.092 34.302 -1.210 18152 11822 1 17 . 1 1 111 111 LYS H H 111 8.492 8.492 8.018 0.474 18152 11823 1 17 . 1 1 112 112 LYS N N 112 121.425 121.425 120.701 0.724 18152 11824 1 17 . 1 1 112 112 LYS HA H 112 4.706 4.706 4.484 0.222 18152 11825 1 17 . 1 1 112 112 LYS C C 112 175.996 175.996 175.788 0.208 18152 11826 1 17 . 1 1 112 112 LYS CA C 112 53.271 53.271 55.395 -2.124 18152 11827 1 17 . 1 1 112 112 LYS CB C 112 36.089 36.089 35.542 0.547 18152 11828 1 17 . 1 1 112 112 LYS H H 112 8.351 8.351 8.444 -0.093 18152 11829 1 17 . 1 1 113 113 GLU N N 113 119.533 119.533 121.819 -2.286 18152 11830 1 17 . 1 1 113 113 GLU HA H 113 4.372 4.372 4.237 0.135 18152 11831 1 17 . 1 1 113 113 GLU C C 113 174.477 174.477 175.972 -1.495 18152 11832 1 17 . 1 1 113 113 GLU CA C 113 55.175 55.175 56.462 -1.287 18152 11833 1 17 . 1 1 113 113 GLU CB C 113 29.097 29.097 30.014 -0.917 18152 11834 1 17 . 1 1 113 113 GLU H H 113 8.815 8.815 8.845 -0.030 18152 11835 1 17 . 1 1 114 114 GLU N N 114 117.843 117.843 117.702 0.141 18152 11836 1 17 . 1 1 114 114 GLU HA H 114 4.701 4.701 4.703 -0.002 18152 11837 1 17 . 1 1 114 114 GLU C C 114 172.378 172.378 174.147 -1.769 18152 11838 1 17 . 1 1 114 114 GLU CA C 114 52.633 52.633 52.913 -0.280 18152 11839 1 17 . 1 1 114 114 GLU CB C 114 30.487 30.487 31.635 -1.148 18152 11840 1 17 . 1 1 114 114 GLU H H 114 7.426 7.426 7.727 -0.301 18152 11841 1 17 . 1 1 115 115 PRO HA H 115 4.725 4.725 4.969 -0.244 18152 11842 1 17 . 1 1 115 115 PRO CA C 115 62.352 62.352 63.026 -0.674 18152 11843 1 17 . 1 1 115 115 PRO CB C 115 30.706 30.706 31.240 -0.534 18152 11844 1 17 . 1 1 116 116 ILE N N 116 130.464 130.464 123.396 7.068 18152 11845 1 17 . 1 1 116 116 ILE HA H 116 4.785 4.785 4.905 -0.120 18152 11846 1 17 . 1 1 116 116 ILE C C 116 172.992 172.992 174.565 -1.573 18152 11847 1 17 . 1 1 116 116 ILE CA C 116 56.976 56.976 58.529 -1.553 18152 11848 1 17 . 1 1 116 116 ILE CB C 116 41.420 41.420 41.576 -0.156 18152 11849 1 17 . 1 1 116 116 ILE H H 116 7.830 7.830 8.066 -0.236 18152 11850 1 17 . 1 1 117 117 LEU N N 117 128.504 128.504 129.450 -0.946 18152 11851 1 17 . 1 1 117 117 LEU HA H 117 5.307 5.307 5.057 0.250 18152 11852 1 17 . 1 1 117 117 LEU C C 117 174.488 174.488 175.183 -0.695 18152 11853 1 17 . 1 1 117 117 LEU CA C 117 52.062 52.062 53.238 -1.176 18152 11854 1 17 . 1 1 117 117 LEU CB C 117 45.447 45.447 44.182 1.265 18152 11855 1 17 . 1 1 117 117 LEU H H 117 8.838 8.838 8.443 0.395 18152 11856 1 17 . 1 1 118 118 THR N N 118 125.436 125.436 123.295 2.141 18152 11857 1 17 . 1 1 118 118 THR HA H 118 5.417 5.417 5.081 0.336 18152 11858 1 17 . 1 1 118 118 THR C C 118 173.169 173.169 172.705 0.464 18152 11859 1 17 . 1 1 118 118 THR CA C 118 60.596 60.596 61.527 -0.931 18152 11860 1 17 . 1 1 118 118 THR CB C 118 68.558 68.558 70.862 -2.304 18152 11861 1 17 . 1 1 118 118 THR H H 118 8.938 8.938 9.077 -0.139 18152 11862 1 17 . 1 1 119 119 LEU N N 119 128.310 128.310 129.461 -1.151 18152 11863 1 17 . 1 1 119 119 LEU HA H 119 5.103 5.103 4.939 0.164 18152 11864 1 17 . 1 1 119 119 LEU C C 119 174.404 174.404 174.941 -0.537 18152 11865 1 17 . 1 1 119 119 LEU CA C 119 52.439 52.439 53.426 -0.987 18152 11866 1 17 . 1 1 119 119 LEU CB C 119 44.373 44.373 44.782 -0.409 18152 11867 1 17 . 1 1 119 119 LEU H H 119 9.280 9.280 8.804 0.476 18152 11868 1 17 . 1 1 120 120 THR N N 120 117.635 117.635 121.043 -3.408 18152 11869 1 17 . 1 1 120 120 THR HA H 120 5.590 5.590 5.596 -0.006 18152 11870 1 17 . 1 1 120 120 THR C C 120 172.735 172.735 173.896 -1.161 18152 11871 1 17 . 1 1 120 120 THR CA C 120 57.360 57.360 59.788 -2.428 18152 11872 1 17 . 1 1 120 120 THR CB C 120 70.136 70.136 70.076 0.060 18152 11873 1 17 . 1 1 120 120 THR H H 120 8.640 8.640 9.269 -0.629 18152 11874 1 17 . 1 1 121 121 THR N N 121 116.149 116.149 121.987 -5.838 18152 11875 1 17 . 1 1 121 121 THR HA H 121 4.766 4.766 5.407 -0.641 18152 11876 1 17 . 1 1 121 121 THR C C 121 174.145 174.145 172.945 1.200 18152 11877 1 17 . 1 1 121 121 THR CA C 121 59.550 59.550 60.219 -0.669 18152 11878 1 17 . 1 1 121 121 THR CB C 121 71.701 71.701 71.663 0.038 18152 11879 1 17 . 1 1 121 121 THR H H 121 8.374 8.374 8.329 0.045 18152 11880 1 17 . 1 1 123 123 TYR N N 123 121.847 121.847 118.877 2.970 18152 11881 1 17 . 1 1 123 123 TYR H H 123 7.461 7.461 8.092 -0.631 18152 11882 1 17 . 1 1 125 125 PHE N N 125 120.754 120.754 116.280 4.474 18152 11883 1 17 . 1 1 125 125 PHE HA H 125 4.420 4.420 4.349 0.071 18152 11884 1 17 . 1 1 125 125 PHE C C 125 176.083 176.083 175.179 0.904 18152 11885 1 17 . 1 1 125 125 PHE CA C 125 58.918 58.918 59.898 -0.980 18152 11886 1 17 . 1 1 125 125 PHE CB C 125 38.624 38.624 38.232 0.392 18152 11887 1 17 . 1 1 125 125 PHE H H 125 7.334 7.334 8.736 -1.402 18152 11888 1 17 . 1 1 126 126 ASP N N 126 114.938 114.938 117.927 -2.989 18152 11889 1 17 . 1 1 126 126 ASP HA H 126 4.548 4.548 4.471 0.077 18152 11890 1 17 . 1 1 126 126 ASP C C 126 175.285 175.285 176.165 -0.880 18152 11891 1 17 . 1 1 126 126 ASP CA C 126 51.974 51.974 53.631 -1.657 18152 11892 1 17 . 1 1 126 126 ASP CB C 126 39.454 39.454 39.376 0.078 18152 11893 1 17 . 1 1 126 126 ASP H H 126 8.179 8.179 7.584 0.595 18152 11894 1 17 . 1 1 127 127 TYR N N 127 121.170 121.170 120.827 0.343 18152 11895 1 17 . 1 1 127 127 TYR HA H 127 3.947 3.947 4.036 -0.089 18152 11896 1 17 . 1 1 127 127 TYR C C 127 175.022 175.022 174.846 0.176 18152 11897 1 17 . 1 1 127 127 TYR CA C 127 58.734 58.734 60.433 -1.699 18152 11898 1 17 . 1 1 127 127 TYR CB C 127 39.330 39.330 39.168 0.162 18152 11899 1 17 . 1 1 127 127 TYR H H 127 7.196 7.196 8.354 -1.158 18152 11900 1 17 . 1 1 128 128 ILE N N 128 127.293 127.293 117.912 9.381 18152 11901 1 17 . 1 1 128 128 ILE HA H 128 4.081 4.081 3.679 0.402 18152 11902 1 17 . 1 1 128 128 ILE C C 128 174.579 174.579 176.722 -2.143 18152 11903 1 17 . 1 1 128 128 ILE CA C 128 60.165 60.165 62.364 -2.199 18152 11904 1 17 . 1 1 128 128 ILE CB C 128 37.120 37.120 36.038 1.081 18152 11905 1 17 . 1 1 128 128 ILE H H 128 7.634 7.634 8.177 -0.543 18152 11906 1 17 . 1 1 129 129 GLY N N 129 114.862 114.862 116.722 -1.860 18152 11907 1 17 . 1 1 129 129 GLY C C 129 172.992 172.992 172.801 0.191 18152 11908 1 17 . 1 1 129 129 GLY CA C 129 43.458 43.458 44.733 -1.274 18152 11909 1 17 . 1 1 129 129 GLY H H 129 8.150 8.150 8.227 -0.077 18152 11910 1 17 . 1 1 130 130 ASP N N 130 122.165 122.165 125.166 -3.001 18152 11911 1 17 . 1 1 130 130 ASP HA H 130 4.639 4.639 4.683 -0.044 18152 11912 1 17 . 1 1 130 130 ASP C C 130 174.579 174.579 174.723 -0.144 18152 11913 1 17 . 1 1 130 130 ASP CA C 130 53.344 53.344 52.807 0.537 18152 11914 1 17 . 1 1 130 130 ASP CB C 130 39.979 39.979 42.618 -2.639 18152 11915 1 17 . 1 1 130 130 ASP H H 130 8.541 8.541 7.848 0.694 18152 11916 1 17 . 1 1 131 131 ALA N N 131 129.087 129.087 125.785 3.302 18152 11917 1 17 . 1 1 131 131 ALA HA H 131 3.673 3.673 4.118 -0.445 18152 11918 1 17 . 1 1 131 131 ALA C C 131 176.791 176.791 177.052 -0.261 18152 11919 1 17 . 1 1 131 131 ALA CA C 131 50.186 50.186 51.548 -1.362 18152 11920 1 17 . 1 1 131 131 ALA CB C 131 17.692 17.692 18.126 -0.434 18152 11921 1 17 . 1 1 131 131 ALA H H 131 8.280 8.280 8.502 -0.222 18152 11922 1 17 . 1 1 133 133 ASP N N 133 117.477 117.477 114.292 3.185 18152 11923 1 17 . 1 1 133 133 ASP HA H 133 5.512 5.512 4.481 1.031 18152 11924 1 17 . 1 1 133 133 ASP C C 133 175.988 175.988 174.651 1.337 18152 11925 1 17 . 1 1 133 133 ASP CA C 133 53.067 53.067 53.269 -0.202 18152 11926 1 17 . 1 1 133 133 ASP CB C 133 45.102 45.102 42.125 2.977 18152 11927 1 17 . 1 1 133 133 ASP H H 133 7.355 7.355 7.533 -0.178 18152 11928 1 17 . 1 1 134 134 ARG N N 134 120.986 120.986 121.636 -0.650 18152 11929 1 17 . 1 1 134 134 ARG HA H 134 4.871 4.871 4.682 0.189 18152 11930 1 17 . 1 1 134 134 ARG C C 134 172.288 172.288 175.034 -2.746 18152 11931 1 17 . 1 1 134 134 ARG CA C 134 53.958 53.958 54.789 -0.831 18152 11932 1 17 . 1 1 134 134 ARG CB C 134 33.787 33.787 32.872 0.915 18152 11933 1 17 . 1 1 134 134 ARG H H 134 9.308 9.308 8.637 0.671 18152 11934 1 17 . 1 1 135 135 TYR N N 135 127.342 127.342 125.602 1.740 18152 11935 1 17 . 1 1 135 135 TYR HA H 135 4.037 4.037 4.331 -0.294 18152 11936 1 17 . 1 1 135 135 TYR C C 135 173.811 173.811 174.101 -0.290 18152 11937 1 17 . 1 1 135 135 TYR CA C 135 57.419 57.419 59.154 -1.736 18152 11938 1 17 . 1 1 135 135 TYR CB C 135 40.515 40.515 39.702 0.813 18152 11939 1 17 . 1 1 135 135 TYR H H 135 8.867 8.867 9.038 -0.171 18152 11940 1 17 . 1 1 136 136 ILE N N 136 128.458 128.458 127.045 1.413 18152 11941 1 17 . 1 1 136 136 ILE HA H 136 4.133 4.133 4.672 -0.539 18152 11942 1 17 . 1 1 136 136 ILE C C 136 173.610 173.610 174.109 -0.499 18152 11943 1 17 . 1 1 136 136 ILE CA C 136 58.968 58.968 58.517 0.451 18152 11944 1 17 . 1 1 136 136 ILE CB C 136 40.998 40.998 38.036 2.962 18152 11945 1 17 . 1 1 136 136 ILE H H 136 8.569 8.569 8.400 0.169 18152 11946 1 17 . 1 1 137 137 ILE N N 137 123.623 123.623 127.521 -3.898 18152 11947 1 17 . 1 1 137 137 ILE HA H 137 4.330 4.330 4.158 0.172 18152 11948 1 17 . 1 1 137 137 ILE C C 137 173.524 173.524 174.689 -1.165 18152 11949 1 17 . 1 1 137 137 ILE CA C 137 59.873 59.873 58.642 1.231 18152 11950 1 17 . 1 1 137 137 ILE CB C 137 40.767 40.767 36.945 3.822 18152 11951 1 17 . 1 1 137 137 ILE H H 137 8.263 8.263 8.604 -0.341 18152 11952 1 17 . 1 1 138 138 GLU N N 138 127.009 127.009 128.937 -1.928 18152 11953 1 17 . 1 1 138 138 GLU HA H 138 5.219 5.219 4.833 0.386 18152 11954 1 17 . 1 1 138 138 GLU C C 138 175.383 175.383 174.852 0.531 18152 11955 1 17 . 1 1 138 138 GLU CA C 138 54.895 54.895 55.047 -0.152 18152 11956 1 17 . 1 1 138 138 GLU CB C 138 33.904 33.904 32.559 1.345 18152 11957 1 17 . 1 1 138 138 GLU H H 138 9.166 9.166 8.007 1.159 18152 11958 1 17 . 1 1 139 139 ALA N N 139 132.785 132.785 127.761 5.024 18152 11959 1 17 . 1 1 139 139 ALA HA H 139 5.231 5.231 5.330 -0.099 18152 11960 1 17 . 1 1 139 139 ALA C C 139 173.789 173.789 175.422 -1.633 18152 11961 1 17 . 1 1 139 139 ALA CA C 139 50.197 50.197 50.565 -0.367 18152 11962 1 17 . 1 1 139 139 ALA CB C 139 24.262 24.262 23.324 0.938 18152 11963 1 17 . 1 1 139 139 ALA H H 139 10.313 10.313 8.731 1.582 18152 11964 1 17 . 1 1 140 140 LYS N N 140 120.672 120.672 122.140 -1.468 18152 11965 1 17 . 1 1 140 140 LYS HA H 140 5.062 5.062 5.039 0.023 18152 11966 1 17 . 1 1 140 140 LYS C C 140 175.807 175.807 175.384 0.423 18152 11967 1 17 . 1 1 140 140 LYS CA C 140 54.250 54.250 53.861 0.389 18152 11968 1 17 . 1 1 140 140 LYS CB C 140 34.937 34.937 36.744 -1.807 18152 11969 1 17 . 1 1 140 140 LYS H H 140 8.507 8.507 8.843 -0.336 18152 11970 1 17 . 1 1 141 141 LEU N N 141 126.557 126.557 129.139 -2.582 18152 11971 1 17 . 1 1 141 141 LEU HA H 141 4.107 4.107 3.939 0.168 18152 11972 1 17 . 1 1 141 141 LEU C C 141 177.236 177.236 176.853 0.383 18152 11973 1 17 . 1 1 141 141 LEU CA C 141 56.169 56.169 55.580 0.589 18152 11974 1 17 . 1 1 141 141 LEU CB C 141 42.408 42.408 42.321 0.087 18152 11975 1 17 . 1 1 141 141 LEU H H 141 7.560 7.560 8.422 -0.862 18152 11976 1 17 . 1 1 142 142 THR N N 142 119.454 119.454 120.014 -0.560 18152 11977 1 17 . 1 1 142 142 THR HA H 142 4.522 4.522 4.425 0.097 18152 11978 1 17 . 1 1 142 142 THR C C 142 175.187 175.187 174.826 0.361 18152 11979 1 17 . 1 1 142 142 THR CA C 142 60.915 60.915 62.052 -1.137 18152 11980 1 17 . 1 1 142 142 THR CB C 142 69.490 69.490 70.333 -0.843 18152 11981 1 17 . 1 1 142 142 THR H H 142 9.562 9.562 9.231 0.331 18152 11982 1 17 . 1 1 143 143 GLY N N 143 109.946 109.946 109.462 0.484 18152 11983 1 17 . 1 1 143 143 GLY C C 143 170.713 170.713 171.916 -1.203 18152 11984 1 17 . 1 1 143 143 GLY CA C 143 45.254 45.254 44.084 1.170 18152 11985 1 17 . 1 1 143 143 GLY H H 143 7.513 7.513 7.496 0.017 18152 11986 1 17 . 1 1 144 144 SER N N 144 112.778 112.778 112.709 0.069 18152 11987 1 17 . 1 1 144 144 SER HA H 144 5.059 5.059 4.962 0.097 18152 11988 1 17 . 1 1 144 144 SER C C 144 173.178 173.178 172.231 0.947 18152 11989 1 17 . 1 1 144 144 SER CA C 144 56.393 56.393 56.736 -0.343 18152 11990 1 17 . 1 1 144 144 SER CB C 144 65.587 65.587 66.093 -0.506 18152 11991 1 17 . 1 1 144 144 SER H H 144 7.877 7.877 7.866 0.011 18152 11992 1 17 . 1 1 145 145 TYR N N 145 119.351 119.351 120.009 -0.658 18152 11993 1 17 . 1 1 145 145 TYR HA H 145 4.755 4.755 4.748 0.007 18152 11994 1 17 . 1 1 145 145 TYR C C 145 174.580 174.580 174.334 0.246 18152 11995 1 17 . 1 1 145 145 TYR CA C 145 56.413 56.413 56.777 -0.364 18152 11996 1 17 . 1 1 145 145 TYR CB C 145 40.096 40.096 43.688 -3.591 18152 11997 1 17 . 1 1 145 145 TYR H H 145 8.374 8.374 8.871 -0.497 18152 11998 1 17 . 1 1 146 146 SER N N 146 117.533 117.533 116.642 0.891 18152 11999 1 17 . 1 1 146 146 SER HA H 146 4.564 4.564 4.826 -0.262 18152 12000 1 17 . 1 1 146 146 SER CA C 146 58.000 58.000 57.216 0.784 18152 12001 1 17 . 1 1 146 146 SER CB C 146 63.905 63.905 64.969 -1.063 18152 12002 1 17 . 1 1 146 146 SER H H 146 8.502 8.502 8.756 -0.254 18152 12003 1 18 . 1 1 7 7 GLN N N 7 122.485 122.485 117.258 5.227 18152 12004 1 18 . 1 1 7 7 GLN CA C 7 55.218 55.218 56.939 -1.721 18152 12005 1 18 . 1 1 7 7 GLN CB C 7 28.842 28.842 27.027 1.815 18152 12006 1 18 . 1 1 7 7 GLN H H 7 8.175 8.175 8.485 -0.310 18152 12007 1 18 . 1 1 8 8 THR N N 8 115.244 115.244 108.396 6.848 18152 12008 1 18 . 1 1 8 8 THR HA H 8 4.189 4.189 4.591 -0.402 18152 12009 1 18 . 1 1 8 8 THR C C 8 173.961 173.961 173.341 0.620 18152 12010 1 18 . 1 1 8 8 THR CA C 8 61.486 61.486 60.800 0.687 18152 12011 1 18 . 1 1 8 8 THR CB C 8 69.316 69.316 70.932 -1.616 18152 12012 1 18 . 1 1 8 8 THR H H 8 8.027 8.027 7.631 0.396 18152 12013 1 18 . 1 1 9 9 GLU N N 9 123.496 123.496 125.602 -2.106 18152 12014 1 18 . 1 1 9 9 GLU HA H 9 4.060 4.060 4.348 -0.288 18152 12015 1 18 . 1 1 9 9 GLU C C 9 175.555 175.555 175.631 -0.076 18152 12016 1 18 . 1 1 9 9 GLU CA C 9 55.868 55.868 55.551 0.317 18152 12017 1 18 . 1 1 9 9 GLU CB C 9 29.611 29.611 30.519 -0.908 18152 12018 1 18 . 1 1 9 9 GLU H H 9 8.225 8.225 8.343 -0.118 18152 12019 1 18 . 1 1 10 10 HIS N N 10 119.084 119.084 117.556 1.528 18152 12020 1 18 . 1 1 10 10 HIS HA H 10 4.384 4.384 4.208 0.176 18152 12021 1 18 . 1 1 10 10 HIS C C 10 173.742 173.742 175.068 -1.326 18152 12022 1 18 . 1 1 10 10 HIS CA C 10 53.932 53.932 56.350 -2.418 18152 12023 1 18 . 1 1 10 10 HIS CB C 10 28.922 28.922 30.148 -1.226 18152 12024 1 18 . 1 1 10 10 HIS H H 10 7.357 7.357 8.081 -0.724 18152 12025 1 18 . 1 1 11 11 LYS N N 11 121.509 121.509 120.410 1.099 18152 12026 1 18 . 1 1 11 11 LYS HA H 11 4.469 4.469 4.283 0.186 18152 12027 1 18 . 1 1 11 11 LYS C C 11 176.210 176.210 176.810 -0.600 18152 12028 1 18 . 1 1 11 11 LYS CA C 11 54.245 54.245 56.833 -2.588 18152 12029 1 18 . 1 1 11 11 LYS CB C 11 33.548 33.548 32.232 1.316 18152 12030 1 18 . 1 1 11 11 LYS H H 11 8.409 8.409 7.985 0.424 18152 12031 1 18 . 1 1 12 12 GLU N N 12 123.025 123.025 122.203 0.822 18152 12032 1 18 . 1 1 12 12 GLU HA H 12 4.240 4.240 4.319 -0.079 18152 12033 1 18 . 1 1 12 12 GLU C C 12 178.023 178.023 177.531 0.492 18152 12034 1 18 . 1 1 12 12 GLU CA C 12 58.350 58.350 57.118 1.232 18152 12035 1 18 . 1 1 12 12 GLU CB C 12 29.254 29.254 30.254 -1.000 18152 12036 1 18 . 1 1 12 12 GLU H H 12 8.929 8.929 8.543 0.386 18152 12037 1 18 . 1 1 13 13 GLY N N 13 113.216 113.216 112.076 1.140 18152 12038 1 18 . 1 1 13 13 GLY C C 13 174.141 174.141 174.141 0.000 18152 12039 1 18 . 1 1 13 13 GLY CA C 13 45.243 45.243 45.712 -0.469 18152 12040 1 18 . 1 1 13 13 GLY H H 13 9.714 9.714 9.368 0.346 18152 12041 1 18 . 1 1 14 14 GLU N N 14 120.782 120.782 119.749 1.033 18152 12042 1 18 . 1 1 14 14 GLU HA H 14 4.472 4.472 4.857 -0.385 18152 12043 1 18 . 1 1 14 14 GLU C C 14 176.436 176.436 175.375 1.061 18152 12044 1 18 . 1 1 14 14 GLU CA C 14 55.641 55.641 54.040 1.601 18152 12045 1 18 . 1 1 14 14 GLU CB C 14 30.989 30.989 32.629 -1.640 18152 12046 1 18 . 1 1 14 14 GLU H H 14 8.289 8.289 7.742 0.547 18152 12047 1 18 . 1 1 15 15 LYS N N 15 125.126 125.126 125.189 -0.063 18152 12048 1 18 . 1 1 15 15 LYS HA H 15 4.100 4.100 3.682 0.418 18152 12049 1 18 . 1 1 15 15 LYS C C 15 176.970 176.970 176.643 0.327 18152 12050 1 18 . 1 1 15 15 LYS CA C 15 57.098 57.098 57.206 -0.108 18152 12051 1 18 . 1 1 15 15 LYS CB C 15 31.680 31.680 31.737 -0.057 18152 12052 1 18 . 1 1 15 15 LYS H H 15 8.978 8.978 8.732 0.246 18152 12053 1 18 . 1 1 16 16 VAL N N 16 119.214 119.214 119.568 -0.354 18152 12054 1 18 . 1 1 16 16 VAL HA H 16 4.572 4.572 4.296 0.276 18152 12055 1 18 . 1 1 16 16 VAL C C 16 174.148 174.148 174.074 0.074 18152 12056 1 18 . 1 1 16 16 VAL CA C 16 60.141 60.141 61.217 -1.076 18152 12057 1 18 . 1 1 16 16 VAL CB C 16 34.881 34.881 33.653 1.228 18152 12058 1 18 . 1 1 16 16 VAL H H 16 8.976 8.976 8.599 0.377 18152 12059 1 18 . 1 1 17 17 ALA N N 17 121.368 121.368 120.912 0.456 18152 12060 1 18 . 1 1 17 17 ALA HA H 17 5.186 5.186 4.811 0.375 18152 12061 1 18 . 1 1 17 17 ALA C C 17 174.664 174.664 174.451 0.213 18152 12062 1 18 . 1 1 17 17 ALA CA C 17 51.098 51.098 50.570 0.528 18152 12063 1 18 . 1 1 17 17 ALA CB C 17 22.853 22.853 22.604 0.249 18152 12064 1 18 . 1 1 17 17 ALA H H 17 8.069 8.069 7.552 0.517 18152 12065 1 18 . 1 1 18 18 MET N N 18 116.475 116.475 120.096 -3.621 18152 12066 1 18 . 1 1 18 18 MET HA H 18 5.303 5.303 4.999 0.304 18152 12067 1 18 . 1 1 18 18 MET C C 18 174.413 174.413 173.922 0.491 18152 12068 1 18 . 1 1 18 18 MET CA C 18 53.607 53.607 54.475 -0.869 18152 12069 1 18 . 1 1 18 18 MET CB C 18 35.038 35.038 36.804 -1.766 18152 12070 1 18 . 1 1 18 18 MET H H 18 8.142 8.142 8.265 -0.123 18152 12071 1 18 . 1 1 19 19 LEU N N 19 126.244 126.244 126.365 -0.121 18152 12072 1 18 . 1 1 19 19 LEU HA H 19 5.268 5.268 5.397 -0.129 18152 12073 1 18 . 1 1 19 19 LEU C C 19 173.617 173.617 174.330 -0.713 18152 12074 1 18 . 1 1 19 19 LEU CA C 19 52.851 52.851 53.587 -0.736 18152 12075 1 18 . 1 1 19 19 LEU CB C 19 44.705 44.705 45.123 -0.418 18152 12076 1 18 . 1 1 19 19 LEU H H 19 9.369 9.369 9.466 -0.097 18152 12077 1 18 . 1 1 20 20 ASN N N 20 126.596 126.596 125.788 0.808 18152 12078 1 18 . 1 1 20 20 ASN HA H 20 5.340 5.340 5.339 0.001 18152 12079 1 18 . 1 1 20 20 ASN C C 20 174.316 174.316 173.697 0.619 18152 12080 1 18 . 1 1 20 20 ASN CA C 20 51.344 51.344 52.310 -0.966 18152 12081 1 18 . 1 1 20 20 ASN CB C 20 40.972 40.972 42.063 -1.091 18152 12082 1 18 . 1 1 20 20 ASN H H 20 10.032 10.032 8.929 1.103 18152 12083 1 18 . 1 1 21 21 ILE N N 21 123.799 123.799 125.811 -2.012 18152 12084 1 18 . 1 1 21 21 ILE HA H 21 4.829 4.829 4.923 -0.094 18152 12085 1 18 . 1 1 21 21 ILE C C 21 174.409 174.409 174.824 -0.415 18152 12086 1 18 . 1 1 21 21 ILE CA C 21 58.243 58.243 58.140 0.103 18152 12087 1 18 . 1 1 21 21 ILE CB C 21 37.477 37.477 39.585 -2.108 18152 12088 1 18 . 1 1 21 21 ILE H H 21 8.614 8.614 9.382 -0.768 18152 12089 1 18 . 1 1 22 22 PRO HA H 22 4.178 4.178 4.436 -0.258 18152 12090 1 18 . 1 1 22 22 PRO CA C 22 65.629 65.629 65.236 0.393 18152 12091 1 18 . 1 1 22 22 PRO CB C 22 31.806 31.806 32.230 -0.424 18152 12092 1 18 . 1 1 23 23 LYS N N 23 118.170 118.170 119.022 -0.852 18152 12093 1 18 . 1 1 23 23 LYS HA H 23 3.943 3.943 4.099 -0.156 18152 12094 1 18 . 1 1 23 23 LYS C C 23 177.231 177.231 177.463 -0.232 18152 12095 1 18 . 1 1 23 23 LYS CA C 23 58.643 58.643 58.569 0.074 18152 12096 1 18 . 1 1 23 23 LYS CB C 23 33.171 33.171 32.377 0.794 18152 12097 1 18 . 1 1 23 23 LYS H H 23 9.365 9.365 8.316 1.049 18152 12098 1 18 . 1 1 24 24 LEU N N 24 111.984 111.984 117.314 -5.330 18152 12099 1 18 . 1 1 24 24 LEU HA H 24 4.319 4.319 4.430 -0.111 18152 12100 1 18 . 1 1 24 24 LEU C C 24 175.562 175.562 176.111 -0.549 18152 12101 1 18 . 1 1 24 24 LEU CA C 24 52.965 52.965 53.753 -0.788 18152 12102 1 18 . 1 1 24 24 LEU CB C 24 42.473 42.473 41.271 1.202 18152 12103 1 18 . 1 1 24 24 LEU H H 24 6.919 6.919 8.230 -1.311 18152 12104 1 18 . 1 1 25 25 LYS N N 25 115.814 115.814 116.503 -0.689 18152 12105 1 18 . 1 1 25 25 LYS HA H 25 3.849 3.849 4.003 -0.154 18152 12106 1 18 . 1 1 25 25 LYS C C 25 175.297 175.297 175.703 -0.406 18152 12107 1 18 . 1 1 25 25 LYS CA C 25 56.598 56.598 57.253 -0.655 18152 12108 1 18 . 1 1 25 25 LYS CB C 25 28.918 28.918 30.036 -1.118 18152 12109 1 18 . 1 1 25 25 LYS H H 25 7.912 7.912 7.824 0.088 18152 12110 1 18 . 1 1 26 26 LYS N N 26 115.145 115.145 119.136 -3.991 18152 12111 1 18 . 1 1 26 26 LYS HA H 26 4.559 4.559 4.418 0.141 18152 12112 1 18 . 1 1 26 26 LYS C C 26 173.961 173.961 174.165 -0.204 18152 12113 1 18 . 1 1 26 26 LYS CA C 26 53.788 53.788 54.939 -1.151 18152 12114 1 18 . 1 1 26 26 LYS CB C 26 37.483 37.483 36.727 0.756 18152 12115 1 18 . 1 1 26 26 LYS H H 26 6.765 6.765 8.281 -1.516 18152 12116 1 18 . 1 1 27 27 LYS N N 27 119.758 119.758 119.889 -0.131 18152 12117 1 18 . 1 1 27 27 LYS HA H 27 5.452 5.452 5.279 0.173 18152 12118 1 18 . 1 1 27 27 LYS C C 27 175.482 175.482 175.310 0.172 18152 12119 1 18 . 1 1 27 27 LYS CA C 27 53.883 53.883 55.275 -1.392 18152 12120 1 18 . 1 1 27 27 LYS CB C 27 35.855 35.855 35.221 0.634 18152 12121 1 18 . 1 1 27 27 LYS H H 27 7.885 7.885 7.813 0.072 18152 12122 1 18 . 1 1 28 28 PHE N N 28 119.077 119.077 121.754 -2.677 18152 12123 1 18 . 1 1 28 28 PHE HA H 28 4.871 4.871 4.859 0.012 18152 12124 1 18 . 1 1 28 28 PHE C C 28 175.477 175.477 174.207 1.270 18152 12125 1 18 . 1 1 28 28 PHE CA C 28 56.100 56.100 56.836 -0.736 18152 12126 1 18 . 1 1 28 28 PHE CB C 28 42.734 42.734 43.564 -0.830 18152 12127 1 18 . 1 1 28 28 PHE H H 28 9.397 9.397 9.382 0.015 18152 12128 1 18 . 1 1 29 29 SER N N 29 121.189 121.189 116.829 4.360 18152 12129 1 18 . 1 1 29 29 SER HA H 29 4.848 4.848 4.740 0.108 18152 12130 1 18 . 1 1 29 29 SER C C 29 172.010 172.010 173.957 -1.947 18152 12131 1 18 . 1 1 29 29 SER CA C 29 59.961 59.961 57.208 2.753 18152 12132 1 18 . 1 1 29 29 SER CB C 29 64.433 64.433 63.925 0.508 18152 12133 1 18 . 1 1 29 29 SER H H 29 9.010 9.010 8.768 0.242 18152 12134 1 18 . 1 1 30 30 ILE N N 30 120.881 120.881 127.020 -6.139 18152 12135 1 18 . 1 1 30 30 ILE HA H 30 4.942 4.942 4.362 0.580 18152 12136 1 18 . 1 1 30 30 ILE C C 30 174.874 174.874 174.694 0.180 18152 12137 1 18 . 1 1 30 30 ILE CA C 30 57.775 57.775 59.141 -1.366 18152 12138 1 18 . 1 1 30 30 ILE CB C 30 38.001 38.001 37.613 0.388 18152 12139 1 18 . 1 1 30 30 ILE H H 30 8.084 8.084 9.035 -0.951 18152 12140 1 18 . 1 1 31 31 TYR N N 31 127.573 127.573 126.087 1.486 18152 12141 1 18 . 1 1 31 31 TYR HA H 31 5.299 5.299 4.989 0.310 18152 12142 1 18 . 1 1 31 31 TYR C C 31 174.806 174.806 175.381 -0.575 18152 12143 1 18 . 1 1 31 31 TYR CA C 31 56.120 56.120 56.628 -0.508 18152 12144 1 18 . 1 1 31 31 TYR CB C 31 41.139 41.139 40.947 0.192 18152 12145 1 18 . 1 1 31 31 TYR H H 31 9.174 9.174 8.565 0.609 18152 12146 1 18 . 1 1 32 32 TRP N N 32 121.993 121.993 124.233 -2.240 18152 12147 1 18 . 1 1 32 32 TRP HA H 32 4.583 4.583 4.617 -0.034 18152 12148 1 18 . 1 1 32 32 TRP C C 32 175.194 175.194 175.794 -0.600 18152 12149 1 18 . 1 1 32 32 TRP CA C 32 57.396 57.396 58.489 -1.093 18152 12150 1 18 . 1 1 32 32 TRP CB C 32 29.670 29.670 30.973 -1.303 18152 12151 1 18 . 1 1 32 32 TRP H H 32 9.007 9.007 9.357 -0.350 18152 12152 1 18 . 1 1 33 33 GLY N N 33 120.470 120.470 113.282 7.188 18152 12153 1 18 . 1 1 33 33 GLY C C 33 171.936 171.936 171.782 0.154 18152 12154 1 18 . 1 1 33 33 GLY CA C 33 44.532 44.532 44.261 0.271 18152 12155 1 18 . 1 1 33 33 GLY H H 33 7.758 7.758 7.342 0.416 18152 12156 1 18 . 1 1 34 34 ALA N N 34 120.239 120.239 122.959 -2.720 18152 12157 1 18 . 1 1 34 34 ALA HA H 34 4.447 4.447 4.521 -0.074 18152 12158 1 18 . 1 1 34 34 ALA C C 34 176.174 176.174 175.654 0.520 18152 12159 1 18 . 1 1 34 34 ALA CA C 34 49.913 49.913 51.406 -1.493 18152 12160 1 18 . 1 1 34 34 ALA CB C 34 18.955 18.955 19.853 -0.898 18152 12161 1 18 . 1 1 34 34 ALA H H 34 7.883 7.883 8.065 -0.182 18152 12162 1 18 . 1 1 35 35 ASP N N 35 118.828 118.828 121.798 -2.970 18152 12163 1 18 . 1 1 35 35 ASP HA H 35 4.450 4.450 4.637 -0.187 18152 12164 1 18 . 1 1 35 35 ASP C C 35 175.990 175.990 177.253 -1.263 18152 12165 1 18 . 1 1 35 35 ASP CA C 35 53.030 53.030 52.957 0.073 18152 12166 1 18 . 1 1 35 35 ASP CB C 35 41.508 41.508 43.140 -1.632 18152 12167 1 18 . 1 1 35 35 ASP H H 35 7.944 7.944 8.162 -0.218 18152 12168 1 18 . 1 1 36 36 ASP N N 36 121.051 121.051 123.442 -2.391 18152 12169 1 18 . 1 1 36 36 ASP HA H 36 4.335 4.335 4.373 -0.038 18152 12170 1 18 . 1 1 36 36 ASP C C 36 177.296 177.296 176.471 0.825 18152 12171 1 18 . 1 1 36 36 ASP CA C 36 55.183 55.183 55.858 -0.675 18152 12172 1 18 . 1 1 36 36 ASP CB C 36 39.837 39.837 40.609 -0.772 18152 12173 1 18 . 1 1 36 36 ASP H H 36 8.509 8.509 8.586 -0.077 18152 12174 1 18 . 1 1 37 37 ALA N N 37 119.568 119.568 121.368 -1.800 18152 12175 1 18 . 1 1 37 37 ALA HA H 37 4.060 4.060 4.177 -0.117 18152 12176 1 18 . 1 1 37 37 ALA C C 37 179.598 179.598 178.003 1.595 18152 12177 1 18 . 1 1 37 37 ALA CA C 37 53.967 53.967 53.223 0.744 18152 12178 1 18 . 1 1 37 37 ALA CB C 37 18.009 18.009 18.952 -0.943 18152 12179 1 18 . 1 1 37 37 ALA H H 37 8.169 8.169 8.101 0.068 18152 12180 1 18 . 1 1 38 38 THR HA H 38 3.850 3.850 4.142 -0.292 18152 12181 1 18 . 1 1 38 38 THR CA C 38 68.437 68.437 62.965 5.472 18152 12182 1 18 . 1 1 38 38 THR CB C 38 72.916 72.916 69.398 3.518 18152 12183 1 18 . 1 1 38 38 THR H H 38 7.621 7.621 7.700 -0.079 18152 12184 1 18 . 1 1 42 42 GLY N N 42 106.310 106.310 105.778 0.532 18152 12185 1 18 . 1 1 42 42 GLY CA C 42 46.480 46.480 45.365 1.115 18152 12186 1 18 . 1 1 43 43 VAL N N 43 121.961 121.961 124.037 -2.076 18152 12187 1 18 . 1 1 43 43 VAL HA H 43 4.481 4.481 4.840 -0.359 18152 12188 1 18 . 1 1 43 43 VAL C C 43 174.308 174.308 174.868 -0.560 18152 12189 1 18 . 1 1 43 43 VAL CA C 43 61.079 61.079 61.302 -0.223 18152 12190 1 18 . 1 1 43 43 VAL CB C 43 32.911 32.911 32.230 0.681 18152 12191 1 18 . 1 1 43 43 VAL H H 43 8.247 8.247 7.825 0.422 18152 12192 1 18 . 1 1 44 44 GLY N N 44 114.325 114.325 112.830 1.495 18152 12193 1 18 . 1 1 44 44 GLY C C 44 172.465 172.465 172.091 0.374 18152 12194 1 18 . 1 1 44 44 GLY CA C 44 43.458 43.458 43.078 0.380 18152 12195 1 18 . 1 1 44 44 GLY H H 44 9.063 9.063 8.282 0.781 18152 12196 1 18 . 1 1 45 45 MET N N 45 125.031 125.031 124.202 0.829 18152 12197 1 18 . 1 1 45 45 MET HA H 45 4.742 4.742 5.037 -0.295 18152 12198 1 18 . 1 1 45 45 MET C C 45 173.873 173.873 174.284 -0.411 18152 12199 1 18 . 1 1 45 45 MET CA C 45 54.084 54.084 55.114 -1.030 18152 12200 1 18 . 1 1 45 45 MET CB C 45 34.548 34.548 35.094 -0.546 18152 12201 1 18 . 1 1 45 45 MET H H 45 8.966 8.966 9.132 -0.166 18152 12202 1 18 . 1 1 46 46 PHE N N 46 127.637 127.637 127.431 0.206 18152 12203 1 18 . 1 1 46 46 PHE HA H 46 3.611 3.611 4.294 -0.683 18152 12204 1 18 . 1 1 46 46 PHE C C 46 175.023 175.023 174.295 0.728 18152 12205 1 18 . 1 1 46 46 PHE CA C 46 59.286 59.286 58.921 0.365 18152 12206 1 18 . 1 1 46 46 PHE CB C 46 40.644 40.644 39.993 0.651 18152 12207 1 18 . 1 1 46 46 PHE H H 46 8.790 8.790 8.607 0.183 18152 12208 1 18 . 1 1 47 47 VAL N N 47 130.695 130.695 127.790 2.905 18152 12209 1 18 . 1 1 47 47 VAL HA H 47 3.663 3.663 4.042 -0.379 18152 12210 1 18 . 1 1 47 47 VAL C C 47 174.235 174.235 173.980 0.255 18152 12211 1 18 . 1 1 47 47 VAL CA C 47 61.455 61.455 61.258 0.197 18152 12212 1 18 . 1 1 47 47 VAL CB C 47 32.002 32.002 32.268 -0.266 18152 12213 1 18 . 1 1 47 47 VAL H H 47 7.942 7.942 7.421 0.521 18152 12214 1 18 . 1 1 48 48 SER N N 48 120.391 120.391 122.040 -1.649 18152 12215 1 18 . 1 1 48 48 SER HA H 48 4.626 4.626 4.663 -0.037 18152 12216 1 18 . 1 1 48 48 SER C C 48 173.167 173.167 173.566 -0.399 18152 12217 1 18 . 1 1 48 48 SER CA C 48 57.384 57.384 57.313 0.071 18152 12218 1 18 . 1 1 48 48 SER CB C 48 65.720 65.720 66.107 -0.387 18152 12219 1 18 . 1 1 48 48 SER H H 48 7.971 7.971 8.285 -0.314 18152 12220 1 18 . 1 1 49 49 ASP N N 49 117.498 117.498 121.198 -3.700 18152 12221 1 18 . 1 1 49 49 ASP HA H 49 4.603 4.603 4.540 0.063 18152 12222 1 18 . 1 1 49 49 ASP C C 49 174.539 174.539 177.598 -3.059 18152 12223 1 18 . 1 1 49 49 ASP CA C 49 55.222 55.222 56.681 -1.459 18152 12224 1 18 . 1 1 49 49 ASP CB C 49 40.206 40.206 41.183 -0.977 18152 12225 1 18 . 1 1 49 49 ASP H H 49 8.701 8.701 8.743 -0.042 18152 12226 1 18 . 1 1 50 50 VAL N N 50 109.465 109.465 113.473 -4.008 18152 12227 1 18 . 1 1 50 50 VAL HA H 50 4.455 4.455 4.193 0.262 18152 12228 1 18 . 1 1 50 50 VAL C C 50 174.487 174.487 175.777 -1.290 18152 12229 1 18 . 1 1 50 50 VAL CA C 50 60.840 60.840 64.829 -3.989 18152 12230 1 18 . 1 1 50 50 VAL CB C 50 32.067 32.067 32.270 -0.203 18152 12231 1 18 . 1 1 50 50 VAL H H 50 7.770 7.770 7.314 0.456 18152 12232 1 18 . 1 1 51 51 THR N N 51 110.572 110.572 110.413 0.159 18152 12233 1 18 . 1 1 51 51 THR HA H 51 5.293 5.293 4.825 0.468 18152 12234 1 18 . 1 1 51 51 THR C C 51 174.591 174.591 174.504 0.087 18152 12235 1 18 . 1 1 51 51 THR CA C 51 58.487 58.487 61.362 -2.875 18152 12236 1 18 . 1 1 51 51 THR CB C 51 71.674 71.674 70.459 1.215 18152 12237 1 18 . 1 1 51 51 THR H H 51 7.095 7.095 7.477 -0.382 18152 12238 1 18 . 1 1 52 52 THR N N 52 109.706 109.706 115.344 -5.638 18152 12239 1 18 . 1 1 52 52 THR HA H 52 4.988 4.988 4.817 0.171 18152 12240 1 18 . 1 1 52 52 THR C C 52 177.060 177.060 172.908 4.152 18152 12241 1 18 . 1 1 52 52 THR CA C 52 59.777 59.777 60.522 -0.745 18152 12242 1 18 . 1 1 52 52 THR CB C 52 72.911 72.911 70.513 2.398 18152 12243 1 18 . 1 1 52 52 THR H H 52 8.836 8.836 8.958 -0.122 18152 12244 1 18 . 1 1 53 53 THR N N 53 113.970 113.970 115.029 -1.059 18152 12245 1 18 . 1 1 53 53 THR HA H 53 4.601 4.601 5.018 -0.417 18152 12246 1 18 . 1 1 53 53 THR C C 53 176.085 176.085 173.294 2.791 18152 12247 1 18 . 1 1 53 53 THR CA C 53 60.920 60.920 58.791 2.129 18152 12248 1 18 . 1 1 53 53 THR CB C 53 67.192 67.192 69.818 -2.626 18152 12249 1 18 . 1 1 53 53 THR H H 53 8.857 8.857 8.358 0.499 18152 12250 1 18 . 1 1 54 54 PRO HA H 54 4.023 4.023 4.579 -0.556 18152 12251 1 18 . 1 1 54 54 PRO CA C 54 64.658 64.658 62.488 2.170 18152 12252 1 18 . 1 1 54 54 PRO CB C 54 29.665 29.665 30.244 -0.579 18152 12253 1 18 . 1 1 55 55 SER N N 55 105.932 105.932 115.967 -10.035 18152 12254 1 18 . 1 1 55 55 SER HA H 55 4.448 4.448 4.240 0.208 18152 12255 1 18 . 1 1 55 55 SER C C 55 176.253 176.253 173.732 2.521 18152 12256 1 18 . 1 1 55 55 SER CA C 55 58.086 58.086 57.627 0.459 18152 12257 1 18 . 1 1 55 55 SER CB C 55 62.950 62.950 64.881 -1.931 18152 12258 1 18 . 1 1 55 55 SER H H 55 6.879 6.879 7.698 -0.819 18152 12259 1 18 . 1 1 56 56 GLY N N 56 109.826 109.826 108.925 0.901 18152 12260 1 18 . 1 1 56 56 GLY C C 56 175.832 175.832 174.102 1.730 18152 12261 1 18 . 1 1 56 56 GLY CA C 56 45.213 45.213 45.433 -0.220 18152 12262 1 18 . 1 1 56 56 GLY H H 56 7.733 7.733 7.407 0.326 18152 12263 1 18 . 1 1 57 57 GLY N N 57 105.805 105.805 110.825 -5.020 18152 12264 1 18 . 1 1 57 57 GLY C C 57 172.905 172.905 173.414 -0.509 18152 12265 1 18 . 1 1 57 57 GLY CA C 57 46.480 46.480 45.581 0.899 18152 12266 1 18 . 1 1 57 57 GLY H H 57 7.481 7.481 8.622 -1.141 18152 12267 1 18 . 1 1 58 58 GLY N N 58 109.086 109.086 110.203 -1.117 18152 12268 1 18 . 1 1 58 58 GLY C C 58 172.807 172.807 172.949 -0.142 18152 12269 1 18 . 1 1 58 58 GLY CA C 58 43.642 43.642 44.584 -0.942 18152 12270 1 18 . 1 1 58 58 GLY H H 58 7.549 7.549 7.937 -0.388 18152 12271 1 18 . 1 1 59 59 HIS N N 59 127.776 127.776 123.714 4.062 18152 12272 1 18 . 1 1 59 59 HIS HA H 59 5.162 5.162 4.794 0.368 18152 12273 1 18 . 1 1 59 59 HIS C C 59 174.930 174.930 174.484 0.446 18152 12274 1 18 . 1 1 59 59 HIS CA C 59 52.820 52.820 55.185 -2.365 18152 12275 1 18 . 1 1 59 59 HIS CB C 59 30.250 30.250 29.746 0.504 18152 12276 1 18 . 1 1 59 59 HIS H H 59 9.517 9.517 8.867 0.650 18152 12277 1 18 . 1 1 60 60 THR N N 60 127.768 127.768 125.474 2.294 18152 12278 1 18 . 1 1 60 60 THR HA H 60 4.870 4.870 5.134 -0.264 18152 12279 1 18 . 1 1 60 60 THR C C 60 171.847 171.847 173.286 -1.439 18152 12280 1 18 . 1 1 60 60 THR CA C 60 61.358 61.358 62.403 -1.045 18152 12281 1 18 . 1 1 60 60 THR CB C 60 69.821 69.821 69.566 0.255 18152 12282 1 18 . 1 1 60 60 THR H H 60 9.769 9.769 9.103 0.666 18152 12283 1 18 . 1 1 61 61 VAL N N 61 126.493 126.493 127.510 -1.017 18152 12284 1 18 . 1 1 61 61 VAL HA H 61 4.641 4.641 4.758 -0.117 18152 12285 1 18 . 1 1 61 61 VAL C C 61 173.794 173.794 174.384 -0.590 18152 12286 1 18 . 1 1 61 61 VAL CA C 61 59.808 59.808 60.539 -0.731 18152 12287 1 18 . 1 1 61 61 VAL CB C 61 33.334 33.334 33.879 -0.545 18152 12288 1 18 . 1 1 61 61 VAL H H 61 8.534 8.534 8.853 -0.319 18152 12289 1 18 . 1 1 62 62 LEU N N 62 126.342 126.342 127.879 -1.537 18152 12290 1 18 . 1 1 62 62 LEU HA H 62 5.345 5.345 5.135 0.210 18152 12291 1 18 . 1 1 62 62 LEU C C 62 175.554 175.554 175.455 0.099 18152 12292 1 18 . 1 1 62 62 LEU CA C 62 51.143 51.143 53.227 -2.084 18152 12293 1 18 . 1 1 62 62 LEU CB C 62 43.344 43.344 45.240 -1.897 18152 12294 1 18 . 1 1 62 62 LEU H H 62 9.284 9.284 9.333 -0.049 18152 12295 1 18 . 1 1 63 63 SER N N 63 116.370 116.370 117.223 -0.853 18152 12296 1 18 . 1 1 63 63 SER HA H 63 5.328 5.328 5.217 0.111 18152 12297 1 18 . 1 1 63 63 SER C C 63 174.576 174.576 173.619 0.957 18152 12298 1 18 . 1 1 63 63 SER CA C 63 54.893 54.893 56.550 -1.657 18152 12299 1 18 . 1 1 63 63 SER CB C 63 64.901 64.901 64.823 0.077 18152 12300 1 18 . 1 1 63 63 SER H H 63 9.117 9.117 9.055 0.062 18152 12301 1 18 . 1 1 64 64 GLY N N 64 111.783 111.783 113.395 -1.612 18152 12302 1 18 . 1 1 64 64 GLY C C 64 173.058 173.058 172.876 0.182 18152 12303 1 18 . 1 1 64 64 GLY CA C 64 45.547 45.547 44.125 1.422 18152 12304 1 18 . 1 1 64 64 GLY H H 64 8.723 8.723 9.156 -0.433 18152 12305 1 18 . 1 1 74 74 GLY C C 74 173.703 173.703 176.384 -2.681 18152 12306 1 18 . 1 1 74 74 GLY CA C 74 45.507 45.507 46.245 -0.738 18152 12307 1 18 . 1 1 75 75 GLN N N 75 116.093 116.093 120.220 -4.127 18152 12308 1 18 . 1 1 75 75 GLN HA H 75 4.229 4.229 4.217 0.012 18152 12309 1 18 . 1 1 75 75 GLN C C 75 177.319 177.319 177.522 -0.203 18152 12310 1 18 . 1 1 75 75 GLN CA C 75 56.016 56.016 56.345 -0.329 18152 12311 1 18 . 1 1 75 75 GLN CB C 75 29.310 29.310 28.849 0.461 18152 12312 1 18 . 1 1 75 75 GLN H H 75 7.598 7.598 8.330 -0.732 18152 12313 1 18 . 1 1 76 76 LEU N N 76 117.894 117.894 118.020 -0.126 18152 12314 1 18 . 1 1 76 76 LEU HA H 76 4.373 4.373 4.596 -0.223 18152 12315 1 18 . 1 1 76 76 LEU C C 76 175.639 175.639 175.106 0.533 18152 12316 1 18 . 1 1 76 76 LEU CA C 76 54.578 54.578 54.961 -0.383 18152 12317 1 18 . 1 1 76 76 LEU CB C 76 41.720 41.720 40.731 0.989 18152 12318 1 18 . 1 1 76 76 LEU H H 76 7.285 7.285 7.985 -0.700 18152 12319 1 18 . 1 1 77 77 LYS N N 77 122.287 122.287 120.474 1.813 18152 12320 1 18 . 1 1 77 77 LYS HA H 77 4.545 4.545 4.376 0.169 18152 12321 1 18 . 1 1 77 77 LYS C C 77 175.553 175.553 175.902 -0.349 18152 12322 1 18 . 1 1 77 77 LYS CA C 77 53.336 53.336 56.351 -3.015 18152 12323 1 18 . 1 1 77 77 LYS CB C 77 36.380 36.380 34.171 2.209 18152 12324 1 18 . 1 1 77 77 LYS H H 77 9.513 9.513 7.621 1.892 18152 12325 1 18 . 1 1 78 78 GLU N N 78 118.949 118.949 120.323 -1.374 18152 12326 1 18 . 1 1 78 78 GLU HA H 78 3.523 3.523 4.523 -1.000 18152 12327 1 18 . 1 1 78 78 GLU C C 78 177.053 177.053 177.090 -0.037 18152 12328 1 18 . 1 1 78 78 GLU CA C 78 59.205 59.205 58.542 0.663 18152 12329 1 18 . 1 1 78 78 GLU CB C 78 28.284 28.284 29.828 -1.544 18152 12330 1 18 . 1 1 78 78 GLU H H 78 8.900 8.900 8.945 -0.045 18152 12331 1 18 . 1 1 79 79 LYS N N 79 114.843 114.843 115.559 -0.716 18152 12332 1 18 . 1 1 79 79 LYS HA H 79 3.751 3.751 4.346 -0.595 18152 12333 1 18 . 1 1 79 79 LYS C C 79 176.434 176.434 175.804 0.630 18152 12334 1 18 . 1 1 79 79 LYS CA C 79 59.231 59.231 56.754 2.478 18152 12335 1 18 . 1 1 79 79 LYS CB C 79 29.657 29.657 32.569 -2.912 18152 12336 1 18 . 1 1 79 79 LYS H H 79 8.909 8.909 8.010 0.899 18152 12337 1 18 . 1 1 80 80 ASP N N 80 119.664 119.664 119.998 -0.334 18152 12338 1 18 . 1 1 80 80 ASP HA H 80 4.946 4.946 4.594 0.352 18152 12339 1 18 . 1 1 80 80 ASP C C 80 175.886 175.886 175.163 0.723 18152 12340 1 18 . 1 1 80 80 ASP CA C 80 55.661 55.661 54.944 0.717 18152 12341 1 18 . 1 1 80 80 ASP CB C 80 41.782 41.782 42.093 -0.310 18152 12342 1 18 . 1 1 80 80 ASP H H 80 8.052 8.052 7.479 0.573 18152 12343 1 18 . 1 1 81 81 THR N N 81 111.597 111.597 114.153 -2.556 18152 12344 1 18 . 1 1 81 81 THR HA H 81 5.321 5.321 4.933 0.388 18152 12345 1 18 . 1 1 81 81 THR C C 81 174.221 174.221 173.381 0.840 18152 12346 1 18 . 1 1 81 81 THR CA C 81 61.103 61.103 61.255 -0.152 18152 12347 1 18 . 1 1 81 81 THR CB C 81 71.264 71.264 71.740 -0.476 18152 12348 1 18 . 1 1 81 81 THR H H 81 8.083 8.083 8.152 -0.069 18152 12349 1 18 . 1 1 82 82 LEU N N 82 120.358 120.358 124.706 -4.348 18152 12350 1 18 . 1 1 82 82 LEU HA H 82 4.836 4.836 4.808 0.028 18152 12351 1 18 . 1 1 82 82 LEU C C 82 174.850 174.850 175.710 -0.860 18152 12352 1 18 . 1 1 82 82 LEU CA C 82 53.721 53.721 53.779 -0.058 18152 12353 1 18 . 1 1 82 82 LEU CB C 82 45.655 45.655 43.972 1.683 18152 12354 1 18 . 1 1 82 82 LEU H H 82 8.684 8.684 8.865 -0.181 18152 12355 1 18 . 1 1 83 83 VAL N N 83 121.834 121.834 123.674 -1.840 18152 12356 1 18 . 1 1 83 83 VAL HA H 83 5.269 5.269 5.170 0.099 18152 12357 1 18 . 1 1 83 83 VAL C C 83 174.766 174.766 175.260 -0.494 18152 12358 1 18 . 1 1 83 83 VAL CA C 83 61.157 61.157 60.356 0.801 18152 12359 1 18 . 1 1 83 83 VAL CB C 83 34.923 34.923 32.359 2.564 18152 12360 1 18 . 1 1 83 83 VAL H H 83 8.670 8.670 8.851 -0.181 18152 12361 1 18 . 1 1 84 84 LEU N N 84 129.811 129.811 129.921 -0.110 18152 12362 1 18 . 1 1 84 84 LEU HA H 84 5.647 5.647 5.035 0.612 18152 12363 1 18 . 1 1 84 84 LEU C C 84 175.644 175.644 176.003 -0.359 18152 12364 1 18 . 1 1 84 84 LEU CA C 84 53.160 53.160 53.901 -0.741 18152 12365 1 18 . 1 1 84 84 LEU CB C 84 46.815 46.815 43.205 3.610 18152 12366 1 18 . 1 1 84 84 LEU H H 84 10.025 10.025 9.640 0.385 18152 12367 1 18 . 1 1 85 85 GLU N N 85 125.273 125.273 125.335 -0.062 18152 12368 1 18 . 1 1 85 85 GLU HA H 85 5.293 5.293 5.398 -0.105 18152 12369 1 18 . 1 1 85 85 GLU C C 85 175.910 175.910 175.512 0.398 18152 12370 1 18 . 1 1 85 85 GLU CA C 85 54.716 54.716 55.397 -0.681 18152 12371 1 18 . 1 1 85 85 GLU CB C 85 30.904 30.904 31.012 -0.107 18152 12372 1 18 . 1 1 85 85 GLU H H 85 9.117 9.117 8.931 0.186 18152 12373 1 18 . 1 1 86 86 TYR N N 86 125.299 125.299 126.221 -0.922 18152 12374 1 18 . 1 1 86 86 TYR HA H 86 4.825 4.825 4.806 0.019 18152 12375 1 18 . 1 1 86 86 TYR C C 86 174.077 174.077 174.989 -0.912 18152 12376 1 18 . 1 1 86 86 TYR CA C 86 57.516 57.516 58.071 -0.555 18152 12377 1 18 . 1 1 86 86 TYR CB C 86 41.720 41.720 42.553 -0.833 18152 12378 1 18 . 1 1 86 86 TYR H H 86 9.056 9.056 9.257 -0.201 18152 12379 1 18 . 1 1 87 87 ASP N N 87 131.006 131.006 127.762 3.244 18152 12380 1 18 . 1 1 87 87 ASP HA H 87 3.921 3.921 4.427 -0.506 18152 12381 1 18 . 1 1 87 87 ASP C C 87 171.773 171.773 175.597 -3.824 18152 12382 1 18 . 1 1 87 87 ASP CA C 87 54.613 54.613 54.970 -0.357 18152 12383 1 18 . 1 1 87 87 ASP CB C 87 39.659 39.659 40.338 -0.679 18152 12384 1 18 . 1 1 87 87 ASP H H 87 9.071 9.071 9.191 -0.120 18152 12385 1 18 . 1 1 88 88 ASN N N 88 109.843 109.843 110.423 -0.580 18152 12386 1 18 . 1 1 88 88 ASN HA H 88 4.159 4.159 4.375 -0.216 18152 12387 1 18 . 1 1 88 88 ASN C C 88 173.995 173.995 174.379 -0.384 18152 12388 1 18 . 1 1 88 88 ASN CA C 88 54.528 54.528 54.920 -0.392 18152 12389 1 18 . 1 1 88 88 ASN CB C 88 37.383 37.383 37.869 -0.486 18152 12390 1 18 . 1 1 88 88 ASN H H 88 8.613 8.613 8.858 -0.245 18152 12391 1 18 . 1 1 89 89 LYS N N 89 119.021 119.021 119.200 -0.179 18152 12392 1 18 . 1 1 89 89 LYS HA H 89 4.714 4.714 4.937 -0.223 18152 12393 1 18 . 1 1 89 89 LYS C C 89 174.644 174.644 175.472 -0.828 18152 12394 1 18 . 1 1 89 89 LYS CA C 89 55.133 55.133 55.801 -0.668 18152 12395 1 18 . 1 1 89 89 LYS CB C 89 36.460 36.460 35.956 0.504 18152 12396 1 18 . 1 1 89 89 LYS H H 89 7.903 7.903 7.815 0.088 18152 12397 1 18 . 1 1 90 90 THR N N 90 117.141 117.141 118.580 -1.439 18152 12398 1 18 . 1 1 90 90 THR HA H 90 4.819 4.819 5.262 -0.443 18152 12399 1 18 . 1 1 90 90 THR C C 90 172.823 172.823 174.095 -1.272 18152 12400 1 18 . 1 1 90 90 THR CA C 90 61.745 61.745 61.554 0.191 18152 12401 1 18 . 1 1 90 90 THR CB C 90 69.709 69.709 69.495 0.214 18152 12402 1 18 . 1 1 90 90 THR H H 90 8.451 8.451 9.158 -0.707 18152 12403 1 18 . 1 1 91 91 TYR N N 91 127.333 127.333 127.469 -0.136 18152 12404 1 18 . 1 1 91 91 TYR HA H 91 4.620 4.620 5.057 -0.437 18152 12405 1 18 . 1 1 91 91 TYR C C 91 174.313 174.313 176.060 -1.747 18152 12406 1 18 . 1 1 91 91 TYR CA C 91 56.764 56.764 56.303 0.460 18152 12407 1 18 . 1 1 91 91 TYR CB C 91 41.054 41.054 39.876 1.178 18152 12408 1 18 . 1 1 91 91 TYR H H 91 9.552 9.552 9.843 -0.291 18152 12409 1 18 . 1 1 92 92 THR N N 92 117.709 117.709 120.585 -2.876 18152 12410 1 18 . 1 1 92 92 THR HA H 92 4.941 4.941 4.832 0.110 18152 12411 1 18 . 1 1 92 92 THR C C 92 172.464 172.464 173.562 -1.098 18152 12412 1 18 . 1 1 92 92 THR CA C 92 61.320 61.320 62.025 -0.705 18152 12413 1 18 . 1 1 92 92 THR CB C 92 69.546 69.546 69.488 0.058 18152 12414 1 18 . 1 1 92 92 THR H H 92 8.705 8.705 9.393 -0.688 18152 12415 1 18 . 1 1 93 93 TYR N N 93 122.946 122.946 126.434 -3.488 18152 12416 1 18 . 1 1 93 93 TYR HA H 93 5.431 5.431 5.447 -0.016 18152 12417 1 18 . 1 1 93 93 TYR C C 93 174.846 174.846 175.243 -0.397 18152 12418 1 18 . 1 1 93 93 TYR CA C 93 55.804 55.804 56.633 -0.829 18152 12419 1 18 . 1 1 93 93 TYR CB C 93 42.627 42.627 42.523 0.104 18152 12420 1 18 . 1 1 93 93 TYR H H 93 9.381 9.381 9.633 -0.252 18152 12421 1 18 . 1 1 94 94 GLU N N 94 121.240 121.240 120.973 0.267 18152 12422 1 18 . 1 1 94 94 GLU HA H 94 4.901 4.901 5.086 -0.185 18152 12423 1 18 . 1 1 94 94 GLU C C 94 177.060 177.060 175.416 1.644 18152 12424 1 18 . 1 1 94 94 GLU CA C 94 54.073 54.073 54.105 -0.032 18152 12425 1 18 . 1 1 94 94 GLU CB C 94 33.787 33.787 34.377 -0.590 18152 12426 1 18 . 1 1 94 94 GLU H H 94 9.100 9.100 9.368 -0.268 18152 12427 1 18 . 1 1 95 95 ILE N N 95 128.525 128.525 126.476 2.049 18152 12428 1 18 . 1 1 95 95 ILE HA H 95 3.737 3.737 4.194 -0.457 18152 12429 1 18 . 1 1 95 95 ILE C C 95 176.261 176.261 176.775 -0.514 18152 12430 1 18 . 1 1 95 95 ILE CA C 95 64.664 64.664 62.272 2.393 18152 12431 1 18 . 1 1 95 95 ILE CB C 95 37.472 37.472 36.281 1.191 18152 12432 1 18 . 1 1 95 95 ILE H H 95 9.293 9.293 8.454 0.839 18152 12433 1 18 . 1 1 96 96 GLN N N 96 127.221 127.221 129.107 -1.886 18152 12434 1 18 . 1 1 96 96 GLN HA H 96 4.831 4.831 4.376 0.455 18152 12435 1 18 . 1 1 96 96 GLN C C 96 174.674 174.674 176.243 -1.569 18152 12436 1 18 . 1 1 96 96 GLN CA C 96 54.632 54.632 57.723 -3.091 18152 12437 1 18 . 1 1 96 96 GLN CB C 96 31.165 31.165 29.958 1.207 18152 12438 1 18 . 1 1 96 96 GLN H H 96 10.106 10.106 8.560 1.546 18152 12439 1 18 . 1 1 97 97 LYS N N 97 120.717 120.717 117.951 2.766 18152 12440 1 18 . 1 1 97 97 LYS HA H 97 4.658 4.658 4.610 0.048 18152 12441 1 18 . 1 1 97 97 LYS C C 97 173.200 173.200 173.913 -0.713 18152 12442 1 18 . 1 1 97 97 LYS CA C 97 56.528 56.528 56.029 0.499 18152 12443 1 18 . 1 1 97 97 LYS CB C 97 36.462 36.462 35.035 1.427 18152 12444 1 18 . 1 1 97 97 LYS H H 97 7.958 7.958 7.724 0.234 18152 12445 1 18 . 1 1 98 98 ILE N N 98 125.089 125.089 123.028 2.061 18152 12446 1 18 . 1 1 98 98 ILE HA H 98 5.221 5.221 4.683 0.538 18152 12447 1 18 . 1 1 98 98 ILE C C 98 175.821 175.821 175.983 -0.162 18152 12448 1 18 . 1 1 98 98 ILE CA C 98 60.078 60.078 58.409 1.669 18152 12449 1 18 . 1 1 98 98 ILE CB C 98 42.082 42.082 38.525 3.557 18152 12450 1 18 . 1 1 98 98 ILE H H 98 8.458 8.458 8.543 -0.085 18152 12451 1 18 . 1 1 99 99 TRP N N 99 129.003 129.003 127.064 1.939 18152 12452 1 18 . 1 1 99 99 TRP HA H 99 4.661 4.661 4.979 -0.318 18152 12453 1 18 . 1 1 99 99 TRP C C 99 170.353 170.353 172.829 -2.476 18152 12454 1 18 . 1 1 99 99 TRP CA C 99 56.388 56.388 55.729 0.659 18152 12455 1 18 . 1 1 99 99 TRP CB C 99 31.158 31.158 30.456 0.702 18152 12456 1 18 . 1 1 99 99 TRP H H 99 9.291 9.291 8.060 1.231 18152 12457 1 18 . 1 1 100 100 ILE N N 100 117.739 117.739 120.182 -2.443 18152 12458 1 18 . 1 1 100 100 ILE HA H 100 4.616 4.616 4.740 -0.124 18152 12459 1 18 . 1 1 100 100 ILE C C 100 176.258 176.258 175.366 0.892 18152 12460 1 18 . 1 1 100 100 ILE CA C 100 58.973 58.973 60.141 -1.168 18152 12461 1 18 . 1 1 100 100 ILE CB C 100 40.734 40.734 41.189 -0.455 18152 12462 1 18 . 1 1 100 100 ILE H H 100 7.778 7.778 8.383 -0.605 18152 12463 1 18 . 1 1 101 101 THR N N 101 120.676 120.676 119.301 1.375 18152 12464 1 18 . 1 1 101 101 THR HA H 101 4.755 4.755 4.924 -0.169 18152 12465 1 18 . 1 1 101 101 THR C C 101 172.069 172.069 173.354 -1.285 18152 12466 1 18 . 1 1 101 101 THR CA C 101 57.557 57.557 59.364 -1.807 18152 12467 1 18 . 1 1 101 101 THR CB C 101 70.656 70.656 70.851 -0.195 18152 12468 1 18 . 1 1 101 101 THR H H 101 8.587 8.587 8.996 -0.409 18152 12469 1 18 . 1 1 102 102 HIS N N 102 119.885 119.885 120.375 -0.490 18152 12470 1 18 . 1 1 102 102 HIS HA H 102 5.401 5.401 4.532 0.869 18152 12471 1 18 . 1 1 102 102 HIS C C 102 176.781 176.781 176.593 0.188 18152 12472 1 18 . 1 1 102 102 HIS CA C 102 54.482 54.482 56.071 -1.589 18152 12473 1 18 . 1 1 102 102 HIS CB C 102 31.240 31.240 31.095 0.145 18152 12474 1 18 . 1 1 102 102 HIS H H 102 8.194 8.194 8.821 -0.627 18152 12475 1 18 . 1 1 103 103 ALA N N 103 121.632 121.632 123.820 -2.188 18152 12476 1 18 . 1 1 103 103 ALA HA H 103 3.710 3.710 4.057 -0.347 18152 12477 1 18 . 1 1 103 103 ALA C C 103 177.587 177.587 177.285 0.302 18152 12478 1 18 . 1 1 103 103 ALA CA C 103 54.899 54.899 53.901 0.998 18152 12479 1 18 . 1 1 103 103 ALA CB C 103 17.981 17.981 18.997 -1.016 18152 12480 1 18 . 1 1 103 103 ALA H H 103 8.405 8.405 8.795 -0.390 18152 12481 1 18 . 1 1 104 104 ASP N N 104 114.513 114.513 115.872 -1.359 18152 12482 1 18 . 1 1 104 104 ASP HA H 104 4.603 4.603 4.716 -0.113 18152 12483 1 18 . 1 1 104 104 ASP C C 104 175.283 175.283 175.205 0.078 18152 12484 1 18 . 1 1 104 104 ASP CA C 104 53.070 53.070 53.616 -0.546 18152 12485 1 18 . 1 1 104 104 ASP CB C 104 40.034 40.034 40.854 -0.820 18152 12486 1 18 . 1 1 104 104 ASP H H 104 8.314 8.314 8.145 0.169 18152 12487 1 18 . 1 1 105 105 ASP N N 105 119.184 119.184 120.967 -1.783 18152 12488 1 18 . 1 1 105 105 ASP HA H 105 4.170 4.170 4.746 -0.576 18152 12489 1 18 . 1 1 105 105 ASP C C 105 177.674 177.674 176.891 0.783 18152 12490 1 18 . 1 1 105 105 ASP CA C 105 54.268 54.268 53.261 1.008 18152 12491 1 18 . 1 1 105 105 ASP CB C 105 39.846 39.846 41.355 -1.509 18152 12492 1 18 . 1 1 105 105 ASP H H 105 7.043 7.043 7.467 -0.424 18152 12493 1 18 . 1 1 106 106 ARG N N 106 127.998 127.998 127.087 0.911 18152 12494 1 18 . 1 1 106 106 ARG HA H 106 4.368 4.368 4.142 0.226 18152 12495 1 18 . 1 1 106 106 ARG C C 106 177.709 177.709 178.086 -0.377 18152 12496 1 18 . 1 1 106 106 ARG CA C 106 55.888 55.888 58.385 -2.497 18152 12497 1 18 . 1 1 106 106 ARG CB C 106 29.264 29.264 29.778 -0.514 18152 12498 1 18 . 1 1 106 106 ARG H H 106 8.921 8.921 8.322 0.599 18152 12499 1 18 . 1 1 107 107 THR N N 107 111.880 111.880 113.748 -1.868 18152 12500 1 18 . 1 1 107 107 THR HA H 107 4.139 4.139 4.006 0.133 18152 12501 1 18 . 1 1 107 107 THR C C 107 173.548 173.548 175.482 -1.934 18152 12502 1 18 . 1 1 107 107 THR CA C 107 62.350 62.350 65.651 -3.301 18152 12503 1 18 . 1 1 107 107 THR CB C 107 68.935 68.935 68.222 0.713 18152 12504 1 18 . 1 1 107 107 THR H H 107 8.857 8.857 8.498 0.359 18152 12505 1 18 . 1 1 108 108 VAL N N 108 118.971 118.971 110.920 8.051 18152 12506 1 18 . 1 1 108 108 VAL HA H 108 3.942 3.942 4.453 -0.511 18152 12507 1 18 . 1 1 108 108 VAL C C 108 176.853 176.853 175.837 1.016 18152 12508 1 18 . 1 1 108 108 VAL CA C 108 63.878 63.878 62.501 1.377 18152 12509 1 18 . 1 1 108 108 VAL CB C 108 32.470 32.470 32.463 0.007 18152 12510 1 18 . 1 1 108 108 VAL H H 108 6.811 6.811 7.394 -0.583 18152 12511 1 18 . 1 1 109 109 ILE N N 109 120.334 120.334 119.720 0.614 18152 12512 1 18 . 1 1 109 109 ILE HA H 109 3.438 3.438 4.255 -0.817 18152 12513 1 18 . 1 1 109 109 ILE C C 109 173.191 173.191 176.200 -3.009 18152 12514 1 18 . 1 1 109 109 ILE CA C 109 60.963 60.963 60.102 0.861 18152 12515 1 18 . 1 1 109 109 ILE CB C 109 33.933 33.933 36.719 -2.786 18152 12516 1 18 . 1 1 109 109 ILE H H 109 8.053 8.053 8.124 -0.071 18152 12517 1 18 . 1 1 110 110 ILE N N 110 118.981 118.981 117.852 1.129 18152 12518 1 18 . 1 1 110 110 ILE HA H 110 4.542 4.542 4.320 0.222 18152 12519 1 18 . 1 1 110 110 ILE C C 110 174.405 174.405 174.352 0.053 18152 12520 1 18 . 1 1 110 110 ILE CA C 110 57.932 57.932 58.933 -1.001 18152 12521 1 18 . 1 1 110 110 ILE CB C 110 42.146 42.146 38.665 3.481 18152 12522 1 18 . 1 1 110 110 ILE H H 110 6.877 6.877 7.675 -0.798 18152 12523 1 18 . 1 1 111 111 LYS N N 111 123.307 123.307 119.747 3.560 18152 12524 1 18 . 1 1 111 111 LYS HA H 111 4.609 4.609 4.767 -0.158 18152 12525 1 18 . 1 1 111 111 LYS C C 111 176.528 176.528 176.042 0.486 18152 12526 1 18 . 1 1 111 111 LYS CA C 111 56.695 56.695 54.963 1.732 18152 12527 1 18 . 1 1 111 111 LYS CB C 111 33.092 33.092 34.236 -1.144 18152 12528 1 18 . 1 1 111 111 LYS H H 111 8.492 8.492 8.061 0.431 18152 12529 1 18 . 1 1 112 112 LYS N N 112 121.425 121.425 124.013 -2.588 18152 12530 1 18 . 1 1 112 112 LYS HA H 112 4.706 4.706 4.469 0.237 18152 12531 1 18 . 1 1 112 112 LYS C C 112 175.996 175.996 175.570 0.426 18152 12532 1 18 . 1 1 112 112 LYS CA C 112 53.271 53.271 55.297 -2.026 18152 12533 1 18 . 1 1 112 112 LYS CB C 112 36.089 36.089 34.511 1.578 18152 12534 1 18 . 1 1 112 112 LYS H H 112 8.351 8.351 8.782 -0.431 18152 12535 1 18 . 1 1 113 113 GLU N N 113 119.533 119.533 121.597 -2.064 18152 12536 1 18 . 1 1 113 113 GLU HA H 113 4.372 4.372 4.241 0.131 18152 12537 1 18 . 1 1 113 113 GLU C C 113 174.477 174.477 175.764 -1.287 18152 12538 1 18 . 1 1 113 113 GLU CA C 113 55.175 55.175 56.675 -1.500 18152 12539 1 18 . 1 1 113 113 GLU CB C 113 29.097 29.097 29.939 -0.842 18152 12540 1 18 . 1 1 113 113 GLU H H 113 8.815 8.815 8.750 0.065 18152 12541 1 18 . 1 1 114 114 GLU N N 114 117.843 117.843 117.687 0.156 18152 12542 1 18 . 1 1 114 114 GLU HA H 114 4.701 4.701 4.668 0.033 18152 12543 1 18 . 1 1 114 114 GLU C C 114 172.378 172.378 173.859 -1.481 18152 12544 1 18 . 1 1 114 114 GLU CA C 114 52.633 52.633 52.996 -0.363 18152 12545 1 18 . 1 1 114 114 GLU CB C 114 30.487 30.487 30.636 -0.149 18152 12546 1 18 . 1 1 114 114 GLU H H 114 7.426 7.426 7.669 -0.243 18152 12547 1 18 . 1 1 115 115 PRO HA H 115 4.725 4.725 4.942 -0.217 18152 12548 1 18 . 1 1 115 115 PRO CA C 115 62.352 62.352 62.907 -0.555 18152 12549 1 18 . 1 1 115 115 PRO CB C 115 30.706 30.706 31.466 -0.760 18152 12550 1 18 . 1 1 116 116 ILE N N 116 130.464 130.464 124.158 6.306 18152 12551 1 18 . 1 1 116 116 ILE HA H 116 4.785 4.785 4.912 -0.127 18152 12552 1 18 . 1 1 116 116 ILE C C 116 172.992 172.992 174.562 -1.570 18152 12553 1 18 . 1 1 116 116 ILE CA C 116 56.976 56.976 58.740 -1.764 18152 12554 1 18 . 1 1 116 116 ILE CB C 116 41.420 41.420 41.651 -0.231 18152 12555 1 18 . 1 1 116 116 ILE H H 116 7.830 7.830 8.319 -0.489 18152 12556 1 18 . 1 1 117 117 LEU N N 117 128.504 128.504 129.410 -0.906 18152 12557 1 18 . 1 1 117 117 LEU HA H 117 5.307 5.307 5.151 0.156 18152 12558 1 18 . 1 1 117 117 LEU C C 117 174.488 174.488 175.268 -0.780 18152 12559 1 18 . 1 1 117 117 LEU CA C 117 52.062 52.062 53.376 -1.314 18152 12560 1 18 . 1 1 117 117 LEU CB C 117 45.447 45.447 44.357 1.090 18152 12561 1 18 . 1 1 117 117 LEU H H 117 8.838 8.838 9.000 -0.162 18152 12562 1 18 . 1 1 118 118 THR N N 118 125.436 125.436 123.594 1.842 18152 12563 1 18 . 1 1 118 118 THR HA H 118 5.417 5.417 4.978 0.439 18152 12564 1 18 . 1 1 118 118 THR C C 118 173.169 173.169 173.097 0.072 18152 12565 1 18 . 1 1 118 118 THR CA C 118 60.596 60.596 61.513 -0.917 18152 12566 1 18 . 1 1 118 118 THR CB C 118 68.558 68.558 69.671 -1.113 18152 12567 1 18 . 1 1 118 118 THR H H 118 8.938 8.938 9.211 -0.273 18152 12568 1 18 . 1 1 119 119 LEU N N 119 128.310 128.310 130.422 -2.112 18152 12569 1 18 . 1 1 119 119 LEU HA H 119 5.103 5.103 5.134 -0.031 18152 12570 1 18 . 1 1 119 119 LEU C C 119 174.404 174.404 174.602 -0.198 18152 12571 1 18 . 1 1 119 119 LEU CA C 119 52.439 52.439 53.148 -0.709 18152 12572 1 18 . 1 1 119 119 LEU CB C 119 44.373 44.373 44.318 0.055 18152 12573 1 18 . 1 1 119 119 LEU H H 119 9.280 9.280 9.076 0.204 18152 12574 1 18 . 1 1 120 120 THR N N 120 117.635 117.635 118.790 -1.155 18152 12575 1 18 . 1 1 120 120 THR HA H 120 5.590 5.590 5.590 0.000 18152 12576 1 18 . 1 1 120 120 THR C C 120 172.735 172.735 174.118 -1.383 18152 12577 1 18 . 1 1 120 120 THR CA C 120 57.360 57.360 59.238 -1.878 18152 12578 1 18 . 1 1 120 120 THR CB C 120 70.136 70.136 71.010 -0.874 18152 12579 1 18 . 1 1 120 120 THR H H 120 8.640 8.640 9.259 -0.619 18152 12580 1 18 . 1 1 121 121 THR N N 121 116.149 116.149 115.813 0.336 18152 12581 1 18 . 1 1 121 121 THR HA H 121 4.766 4.766 5.295 -0.529 18152 12582 1 18 . 1 1 121 121 THR C C 121 174.145 174.145 174.546 -0.401 18152 12583 1 18 . 1 1 121 121 THR CA C 121 59.550 59.550 59.906 -0.356 18152 12584 1 18 . 1 1 121 121 THR CB C 121 71.701 71.701 72.159 -0.458 18152 12585 1 18 . 1 1 121 121 THR H H 121 8.374 8.374 8.481 -0.107 18152 12586 1 18 . 1 1 123 123 TYR N N 123 121.847 121.847 117.764 4.083 18152 12587 1 18 . 1 1 123 123 TYR H H 123 7.461 7.461 7.517 -0.056 18152 12588 1 18 . 1 1 125 125 PHE N N 125 120.754 120.754 114.429 6.325 18152 12589 1 18 . 1 1 125 125 PHE HA H 125 4.420 4.420 4.392 0.028 18152 12590 1 18 . 1 1 125 125 PHE C C 125 176.083 176.083 176.355 -0.272 18152 12591 1 18 . 1 1 125 125 PHE CA C 125 58.918 58.918 60.468 -1.550 18152 12592 1 18 . 1 1 125 125 PHE CB C 125 38.624 38.624 37.983 0.641 18152 12593 1 18 . 1 1 125 125 PHE H H 125 7.334 7.334 8.071 -0.737 18152 12594 1 18 . 1 1 126 126 ASP N N 126 114.938 114.938 117.962 -3.024 18152 12595 1 18 . 1 1 126 126 ASP HA H 126 4.548 4.548 4.039 0.509 18152 12596 1 18 . 1 1 126 126 ASP C C 126 175.285 175.285 176.278 -0.993 18152 12597 1 18 . 1 1 126 126 ASP CA C 126 51.974 51.974 55.299 -3.325 18152 12598 1 18 . 1 1 126 126 ASP CB C 126 39.454 39.454 40.463 -1.009 18152 12599 1 18 . 1 1 126 126 ASP H H 126 8.179 8.179 6.211 1.968 18152 12600 1 18 . 1 1 127 127 TYR N N 127 121.170 121.170 120.645 0.525 18152 12601 1 18 . 1 1 127 127 TYR HA H 127 3.947 3.947 4.148 -0.201 18152 12602 1 18 . 1 1 127 127 TYR C C 127 175.022 175.022 175.061 -0.039 18152 12603 1 18 . 1 1 127 127 TYR CA C 127 58.734 58.734 58.752 -0.018 18152 12604 1 18 . 1 1 127 127 TYR CB C 127 39.330 39.330 38.914 0.416 18152 12605 1 18 . 1 1 127 127 TYR H H 127 7.196 7.196 8.217 -1.021 18152 12606 1 18 . 1 1 128 128 ILE N N 128 127.293 127.293 125.281 2.012 18152 12607 1 18 . 1 1 128 128 ILE HA H 128 4.081 4.081 3.555 0.526 18152 12608 1 18 . 1 1 128 128 ILE C C 128 174.579 174.579 176.354 -1.775 18152 12609 1 18 . 1 1 128 128 ILE CA C 128 60.165 60.165 61.401 -1.236 18152 12610 1 18 . 1 1 128 128 ILE CB C 128 37.120 37.120 34.645 2.475 18152 12611 1 18 . 1 1 128 128 ILE H H 128 7.634 7.634 7.831 -0.197 18152 12612 1 18 . 1 1 129 129 GLY N N 129 114.862 114.862 117.793 -2.931 18152 12613 1 18 . 1 1 129 129 GLY C C 129 172.992 172.992 173.366 -0.374 18152 12614 1 18 . 1 1 129 129 GLY CA C 129 43.458 43.458 45.191 -1.733 18152 12615 1 18 . 1 1 129 129 GLY H H 129 8.150 8.150 8.139 0.011 18152 12616 1 18 . 1 1 130 130 ASP N N 130 122.165 122.165 124.365 -2.200 18152 12617 1 18 . 1 1 130 130 ASP HA H 130 4.639 4.639 5.060 -0.421 18152 12618 1 18 . 1 1 130 130 ASP C C 130 174.579 174.579 175.180 -0.601 18152 12619 1 18 . 1 1 130 130 ASP CA C 130 53.344 53.344 53.116 0.228 18152 12620 1 18 . 1 1 130 130 ASP CB C 130 39.979 39.979 42.562 -2.583 18152 12621 1 18 . 1 1 130 130 ASP H H 130 8.541 8.541 8.527 0.014 18152 12622 1 18 . 1 1 131 131 ALA N N 131 129.087 129.087 127.793 1.294 18152 12623 1 18 . 1 1 131 131 ALA HA H 131 3.673 3.673 3.833 -0.160 18152 12624 1 18 . 1 1 131 131 ALA C C 131 176.791 176.791 176.269 0.522 18152 12625 1 18 . 1 1 131 131 ALA CA C 131 50.186 50.186 49.965 0.221 18152 12626 1 18 . 1 1 131 131 ALA CB C 131 17.692 17.692 17.908 -0.216 18152 12627 1 18 . 1 1 131 131 ALA H H 131 8.280 8.280 8.300 -0.020 18152 12628 1 18 . 1 1 133 133 ASP N N 133 117.477 117.477 112.910 4.567 18152 12629 1 18 . 1 1 133 133 ASP HA H 133 5.512 5.512 4.596 0.916 18152 12630 1 18 . 1 1 133 133 ASP C C 133 175.988 175.988 174.415 1.573 18152 12631 1 18 . 1 1 133 133 ASP CA C 133 53.067 53.067 53.282 -0.215 18152 12632 1 18 . 1 1 133 133 ASP CB C 133 45.102 45.102 43.392 1.710 18152 12633 1 18 . 1 1 133 133 ASP H H 133 7.355 7.355 7.567 -0.212 18152 12634 1 18 . 1 1 134 134 ARG N N 134 120.986 120.986 120.579 0.407 18152 12635 1 18 . 1 1 134 134 ARG HA H 134 4.871 4.871 4.541 0.330 18152 12636 1 18 . 1 1 134 134 ARG C C 134 172.288 172.288 174.624 -2.336 18152 12637 1 18 . 1 1 134 134 ARG CA C 134 53.958 53.958 54.575 -0.617 18152 12638 1 18 . 1 1 134 134 ARG CB C 134 33.787 33.787 33.255 0.532 18152 12639 1 18 . 1 1 134 134 ARG H H 134 9.308 9.308 9.063 0.245 18152 12640 1 18 . 1 1 135 135 TYR N N 135 127.342 127.342 127.273 0.069 18152 12641 1 18 . 1 1 135 135 TYR HA H 135 4.037 4.037 4.306 -0.269 18152 12642 1 18 . 1 1 135 135 TYR C C 135 173.811 173.811 174.466 -0.655 18152 12643 1 18 . 1 1 135 135 TYR CA C 135 57.419 57.419 59.559 -2.139 18152 12644 1 18 . 1 1 135 135 TYR CB C 135 40.515 40.515 39.670 0.844 18152 12645 1 18 . 1 1 135 135 TYR H H 135 8.867 8.867 8.187 0.680 18152 12646 1 18 . 1 1 136 136 ILE N N 136 128.458 128.458 126.896 1.562 18152 12647 1 18 . 1 1 136 136 ILE HA H 136 4.133 4.133 4.263 -0.130 18152 12648 1 18 . 1 1 136 136 ILE C C 136 173.610 173.610 173.885 -0.275 18152 12649 1 18 . 1 1 136 136 ILE CA C 136 58.968 58.968 58.517 0.451 18152 12650 1 18 . 1 1 136 136 ILE CB C 136 40.998 40.998 38.154 2.844 18152 12651 1 18 . 1 1 136 136 ILE H H 136 8.569 8.569 8.403 0.166 18152 12652 1 18 . 1 1 137 137 ILE N N 137 123.623 123.623 128.101 -4.478 18152 12653 1 18 . 1 1 137 137 ILE HA H 137 4.330 4.330 4.109 0.221 18152 12654 1 18 . 1 1 137 137 ILE C C 137 173.524 173.524 174.232 -0.708 18152 12655 1 18 . 1 1 137 137 ILE CA C 137 59.873 59.873 58.627 1.246 18152 12656 1 18 . 1 1 137 137 ILE CB C 137 40.767 40.767 36.926 3.841 18152 12657 1 18 . 1 1 137 137 ILE H H 137 8.263 8.263 9.147 -0.884 18152 12658 1 18 . 1 1 138 138 GLU N N 138 127.009 127.009 129.163 -2.154 18152 12659 1 18 . 1 1 138 138 GLU HA H 138 5.219 5.219 4.885 0.334 18152 12660 1 18 . 1 1 138 138 GLU C C 138 175.383 175.383 174.758 0.625 18152 12661 1 18 . 1 1 138 138 GLU CA C 138 54.895 54.895 54.435 0.460 18152 12662 1 18 . 1 1 138 138 GLU CB C 138 33.904 33.904 32.568 1.336 18152 12663 1 18 . 1 1 138 138 GLU H H 138 9.166 9.166 7.813 1.353 18152 12664 1 18 . 1 1 139 139 ALA N N 139 132.785 132.785 127.228 5.557 18152 12665 1 18 . 1 1 139 139 ALA HA H 139 5.231 5.231 5.198 0.033 18152 12666 1 18 . 1 1 139 139 ALA C C 139 173.789 173.789 175.061 -1.272 18152 12667 1 18 . 1 1 139 139 ALA CA C 139 50.197 50.197 50.990 -0.793 18152 12668 1 18 . 1 1 139 139 ALA CB C 139 24.262 24.262 23.221 1.041 18152 12669 1 18 . 1 1 139 139 ALA H H 139 10.313 10.313 8.735 1.578 18152 12670 1 18 . 1 1 140 140 LYS N N 140 120.672 120.672 122.408 -1.736 18152 12671 1 18 . 1 1 140 140 LYS HA H 140 5.062 5.062 5.181 -0.119 18152 12672 1 18 . 1 1 140 140 LYS C C 140 175.807 175.807 174.968 0.839 18152 12673 1 18 . 1 1 140 140 LYS CA C 140 54.250 54.250 53.988 0.262 18152 12674 1 18 . 1 1 140 140 LYS CB C 140 34.937 34.937 37.106 -2.169 18152 12675 1 18 . 1 1 140 140 LYS H H 140 8.507 8.507 8.698 -0.191 18152 12676 1 18 . 1 1 141 141 LEU N N 141 126.557 126.557 125.880 0.677 18152 12677 1 18 . 1 1 141 141 LEU HA H 141 4.107 4.107 4.158 -0.051 18152 12678 1 18 . 1 1 141 141 LEU C C 141 177.236 177.236 176.703 0.533 18152 12679 1 18 . 1 1 141 141 LEU CA C 141 56.169 56.169 54.883 1.286 18152 12680 1 18 . 1 1 141 141 LEU CB C 141 42.408 42.408 42.327 0.081 18152 12681 1 18 . 1 1 141 141 LEU H H 141 7.560 7.560 8.291 -0.731 18152 12682 1 18 . 1 1 142 142 THR N N 142 119.454 119.454 120.112 -0.658 18152 12683 1 18 . 1 1 142 142 THR HA H 142 4.522 4.522 4.477 0.045 18152 12684 1 18 . 1 1 142 142 THR C C 142 175.187 175.187 175.155 0.032 18152 12685 1 18 . 1 1 142 142 THR CA C 142 60.915 60.915 61.813 -0.898 18152 12686 1 18 . 1 1 142 142 THR CB C 142 69.490 69.490 70.124 -0.634 18152 12687 1 18 . 1 1 142 142 THR H H 142 9.562 9.562 8.913 0.649 18152 12688 1 18 . 1 1 143 143 GLY N N 143 109.946 109.946 108.989 0.957 18152 12689 1 18 . 1 1 143 143 GLY C C 143 170.713 170.713 171.829 -1.116 18152 12690 1 18 . 1 1 143 143 GLY CA C 143 45.254 45.254 44.873 0.381 18152 12691 1 18 . 1 1 143 143 GLY H H 143 7.513 7.513 7.502 0.011 18152 12692 1 18 . 1 1 144 144 SER N N 144 112.778 112.778 115.518 -2.740 18152 12693 1 18 . 1 1 144 144 SER HA H 144 5.059 5.059 5.205 -0.146 18152 12694 1 18 . 1 1 144 144 SER C C 144 173.178 173.178 172.649 0.529 18152 12695 1 18 . 1 1 144 144 SER CA C 144 56.393 56.393 57.094 -0.701 18152 12696 1 18 . 1 1 144 144 SER CB C 144 65.587 65.587 66.467 -0.880 18152 12697 1 18 . 1 1 144 144 SER H H 144 7.877 7.877 7.991 -0.114 18152 12698 1 18 . 1 1 145 145 TYR N N 145 119.351 119.351 119.751 -0.400 18152 12699 1 18 . 1 1 145 145 TYR HA H 145 4.755 4.755 4.630 0.125 18152 12700 1 18 . 1 1 145 145 TYR C C 145 174.580 174.580 174.231 0.349 18152 12701 1 18 . 1 1 145 145 TYR CA C 145 56.413 56.413 57.190 -0.777 18152 12702 1 18 . 1 1 145 145 TYR CB C 145 40.096 40.096 42.613 -2.517 18152 12703 1 18 . 1 1 145 145 TYR H H 145 8.374 8.374 9.136 -0.762 18152 12704 1 18 . 1 1 146 146 SER N N 146 117.533 117.533 117.253 0.280 18152 12705 1 18 . 1 1 146 146 SER HA H 146 4.564 4.564 4.562 0.002 18152 12706 1 18 . 1 1 146 146 SER CA C 146 58.000 58.000 57.438 0.562 18152 12707 1 18 . 1 1 146 146 SER CB C 146 63.905 63.905 64.076 -0.171 18152 12708 1 18 . 1 1 146 146 SER H H 146 8.502 8.502 8.512 -0.010 18152 12709 1 19 . 1 1 7 7 GLN N N 7 122.485 122.485 121.605 0.880 18152 12710 1 19 . 1 1 7 7 GLN CA C 7 55.218 55.218 57.068 -1.850 18152 12711 1 19 . 1 1 7 7 GLN CB C 7 28.842 28.842 28.770 0.072 18152 12712 1 19 . 1 1 7 7 GLN H H 7 8.175 8.175 8.646 -0.471 18152 12713 1 19 . 1 1 8 8 THR N N 8 115.244 115.244 115.476 -0.232 18152 12714 1 19 . 1 1 8 8 THR HA H 8 4.189 4.189 4.379 -0.190 18152 12715 1 19 . 1 1 8 8 THR C C 8 173.961 173.961 173.430 0.531 18152 12716 1 19 . 1 1 8 8 THR CA C 8 61.486 61.486 61.520 -0.034 18152 12717 1 19 . 1 1 8 8 THR CB C 8 69.316 69.316 69.337 -0.021 18152 12718 1 19 . 1 1 8 8 THR H H 8 8.027 8.027 8.140 -0.113 18152 12719 1 19 . 1 1 9 9 GLU N N 9 123.496 123.496 124.632 -1.136 18152 12720 1 19 . 1 1 9 9 GLU HA H 9 4.060 4.060 4.182 -0.122 18152 12721 1 19 . 1 1 9 9 GLU C C 9 175.555 175.555 175.244 0.311 18152 12722 1 19 . 1 1 9 9 GLU CA C 9 55.868 55.868 54.586 1.282 18152 12723 1 19 . 1 1 9 9 GLU CB C 9 29.611 29.611 32.178 -2.567 18152 12724 1 19 . 1 1 9 9 GLU H H 9 8.225 8.225 8.732 -0.507 18152 12725 1 19 . 1 1 10 10 HIS N N 10 119.084 119.084 116.505 2.579 18152 12726 1 19 . 1 1 10 10 HIS HA H 10 4.384 4.384 4.407 -0.023 18152 12727 1 19 . 1 1 10 10 HIS C C 10 173.742 173.742 175.350 -1.608 18152 12728 1 19 . 1 1 10 10 HIS CA C 10 53.932 53.932 56.474 -2.542 18152 12729 1 19 . 1 1 10 10 HIS CB C 10 28.922 28.922 30.169 -1.247 18152 12730 1 19 . 1 1 10 10 HIS H H 10 7.357 7.357 8.293 -0.936 18152 12731 1 19 . 1 1 11 11 LYS N N 11 121.509 121.509 120.979 0.530 18152 12732 1 19 . 1 1 11 11 LYS HA H 11 4.469 4.469 4.298 0.171 18152 12733 1 19 . 1 1 11 11 LYS C C 11 176.210 176.210 176.479 -0.269 18152 12734 1 19 . 1 1 11 11 LYS CA C 11 54.245 54.245 56.116 -1.871 18152 12735 1 19 . 1 1 11 11 LYS CB C 11 33.548 33.548 33.548 0.000 18152 12736 1 19 . 1 1 11 11 LYS H H 11 8.409 8.409 7.438 0.971 18152 12737 1 19 . 1 1 12 12 GLU N N 12 123.025 123.025 121.466 1.559 18152 12738 1 19 . 1 1 12 12 GLU HA H 12 4.240 4.240 4.557 -0.317 18152 12739 1 19 . 1 1 12 12 GLU C C 12 178.023 178.023 177.269 0.754 18152 12740 1 19 . 1 1 12 12 GLU CA C 12 58.350 58.350 56.672 1.678 18152 12741 1 19 . 1 1 12 12 GLU CB C 12 29.254 29.254 30.131 -0.877 18152 12742 1 19 . 1 1 12 12 GLU H H 12 8.929 8.929 8.483 0.446 18152 12743 1 19 . 1 1 13 13 GLY N N 13 113.216 113.216 111.936 1.280 18152 12744 1 19 . 1 1 13 13 GLY C C 13 174.141 174.141 173.805 0.336 18152 12745 1 19 . 1 1 13 13 GLY CA C 13 45.243 45.243 45.336 -0.093 18152 12746 1 19 . 1 1 13 13 GLY H H 13 9.714 9.714 9.140 0.574 18152 12747 1 19 . 1 1 14 14 GLU N N 14 120.782 120.782 119.084 1.698 18152 12748 1 19 . 1 1 14 14 GLU HA H 14 4.472 4.472 4.846 -0.374 18152 12749 1 19 . 1 1 14 14 GLU C C 14 176.436 176.436 175.914 0.522 18152 12750 1 19 . 1 1 14 14 GLU CA C 14 55.641 55.641 53.679 1.962 18152 12751 1 19 . 1 1 14 14 GLU CB C 14 30.989 30.989 31.946 -0.957 18152 12752 1 19 . 1 1 14 14 GLU H H 14 8.289 8.289 7.702 0.587 18152 12753 1 19 . 1 1 15 15 LYS N N 15 125.126 125.126 127.210 -2.084 18152 12754 1 19 . 1 1 15 15 LYS HA H 15 4.100 4.100 3.343 0.757 18152 12755 1 19 . 1 1 15 15 LYS C C 15 176.970 176.970 176.171 0.799 18152 12756 1 19 . 1 1 15 15 LYS CA C 15 57.098 57.098 56.840 0.258 18152 12757 1 19 . 1 1 15 15 LYS CB C 15 31.680 31.680 30.886 0.794 18152 12758 1 19 . 1 1 15 15 LYS H H 15 8.978 8.978 8.956 0.022 18152 12759 1 19 . 1 1 16 16 VAL N N 16 119.214 119.214 118.714 0.500 18152 12760 1 19 . 1 1 16 16 VAL HA H 16 4.572 4.572 4.155 0.417 18152 12761 1 19 . 1 1 16 16 VAL C C 16 174.148 174.148 174.942 -0.794 18152 12762 1 19 . 1 1 16 16 VAL CA C 16 60.141 60.141 61.739 -1.598 18152 12763 1 19 . 1 1 16 16 VAL CB C 16 34.881 34.881 32.848 2.033 18152 12764 1 19 . 1 1 16 16 VAL H H 16 8.976 8.976 7.671 1.305 18152 12765 1 19 . 1 1 17 17 ALA N N 17 121.368 121.368 120.377 0.991 18152 12766 1 19 . 1 1 17 17 ALA HA H 17 5.186 5.186 5.205 -0.019 18152 12767 1 19 . 1 1 17 17 ALA C C 17 174.664 174.664 174.757 -0.093 18152 12768 1 19 . 1 1 17 17 ALA CA C 17 51.098 51.098 50.296 0.802 18152 12769 1 19 . 1 1 17 17 ALA CB C 17 22.853 22.853 22.829 0.024 18152 12770 1 19 . 1 1 17 17 ALA H H 17 8.069 8.069 7.562 0.507 18152 12771 1 19 . 1 1 18 18 MET N N 18 116.475 116.475 119.873 -3.398 18152 12772 1 19 . 1 1 18 18 MET HA H 18 5.303 5.303 5.061 0.242 18152 12773 1 19 . 1 1 18 18 MET C C 18 174.413 174.413 174.045 0.368 18152 12774 1 19 . 1 1 18 18 MET CA C 18 53.607 53.607 54.433 -0.826 18152 12775 1 19 . 1 1 18 18 MET CB C 18 35.038 35.038 37.000 -1.962 18152 12776 1 19 . 1 1 18 18 MET H H 18 8.142 8.142 8.237 -0.095 18152 12777 1 19 . 1 1 19 19 LEU N N 19 126.244 126.244 126.824 -0.580 18152 12778 1 19 . 1 1 19 19 LEU HA H 19 5.268 5.268 5.188 0.080 18152 12779 1 19 . 1 1 19 19 LEU C C 19 173.617 173.617 174.364 -0.747 18152 12780 1 19 . 1 1 19 19 LEU CA C 19 52.851 52.851 53.654 -0.803 18152 12781 1 19 . 1 1 19 19 LEU CB C 19 44.705 44.705 44.407 0.298 18152 12782 1 19 . 1 1 19 19 LEU H H 19 9.369 9.369 9.368 0.001 18152 12783 1 19 . 1 1 20 20 ASN N N 20 126.596 126.596 126.132 0.464 18152 12784 1 19 . 1 1 20 20 ASN HA H 20 5.340 5.340 5.325 0.015 18152 12785 1 19 . 1 1 20 20 ASN C C 20 174.316 174.316 174.095 0.221 18152 12786 1 19 . 1 1 20 20 ASN CA C 20 51.344 51.344 52.004 -0.660 18152 12787 1 19 . 1 1 20 20 ASN CB C 20 40.972 40.972 41.147 -0.175 18152 12788 1 19 . 1 1 20 20 ASN H H 20 10.032 10.032 8.778 1.254 18152 12789 1 19 . 1 1 21 21 ILE N N 21 123.799 123.799 126.388 -2.589 18152 12790 1 19 . 1 1 21 21 ILE HA H 21 4.829 4.829 4.823 0.006 18152 12791 1 19 . 1 1 21 21 ILE C C 21 174.409 174.409 175.019 -0.610 18152 12792 1 19 . 1 1 21 21 ILE CA C 21 58.243 58.243 58.453 -0.210 18152 12793 1 19 . 1 1 21 21 ILE CB C 21 37.477 37.477 38.813 -1.336 18152 12794 1 19 . 1 1 21 21 ILE H H 21 8.614 8.614 9.414 -0.800 18152 12795 1 19 . 1 1 22 22 PRO HA H 22 4.178 4.178 4.430 -0.252 18152 12796 1 19 . 1 1 22 22 PRO CA C 22 65.629 65.629 65.241 0.388 18152 12797 1 19 . 1 1 22 22 PRO CB C 22 31.806 31.806 32.153 -0.347 18152 12798 1 19 . 1 1 23 23 LYS N N 23 118.170 118.170 118.695 -0.525 18152 12799 1 19 . 1 1 23 23 LYS HA H 23 3.943 3.943 4.102 -0.159 18152 12800 1 19 . 1 1 23 23 LYS C C 23 177.231 177.231 177.705 -0.474 18152 12801 1 19 . 1 1 23 23 LYS CA C 23 58.643 58.643 58.813 -0.170 18152 12802 1 19 . 1 1 23 23 LYS CB C 23 33.171 33.171 32.247 0.924 18152 12803 1 19 . 1 1 23 23 LYS H H 23 9.365 9.365 8.440 0.925 18152 12804 1 19 . 1 1 24 24 LEU N N 24 111.984 111.984 117.861 -5.877 18152 12805 1 19 . 1 1 24 24 LEU HA H 24 4.319 4.319 4.451 -0.132 18152 12806 1 19 . 1 1 24 24 LEU C C 24 175.562 175.562 175.791 -0.229 18152 12807 1 19 . 1 1 24 24 LEU CA C 24 52.965 52.965 54.449 -1.484 18152 12808 1 19 . 1 1 24 24 LEU CB C 24 42.473 42.473 41.570 0.903 18152 12809 1 19 . 1 1 24 24 LEU H H 24 6.919 6.919 7.997 -1.078 18152 12810 1 19 . 1 1 25 25 LYS N N 25 115.814 115.814 115.121 0.693 18152 12811 1 19 . 1 1 25 25 LYS HA H 25 3.849 3.849 4.048 -0.199 18152 12812 1 19 . 1 1 25 25 LYS C C 25 175.297 175.297 175.547 -0.250 18152 12813 1 19 . 1 1 25 25 LYS CA C 25 56.598 56.598 56.956 -0.358 18152 12814 1 19 . 1 1 25 25 LYS CB C 25 28.918 28.918 29.420 -0.502 18152 12815 1 19 . 1 1 25 25 LYS H H 25 7.912 7.912 7.885 0.027 18152 12816 1 19 . 1 1 26 26 LYS N N 26 115.145 115.145 119.649 -4.504 18152 12817 1 19 . 1 1 26 26 LYS HA H 26 4.559 4.559 4.445 0.114 18152 12818 1 19 . 1 1 26 26 LYS C C 26 173.961 173.961 174.819 -0.858 18152 12819 1 19 . 1 1 26 26 LYS CA C 26 53.788 53.788 54.883 -1.095 18152 12820 1 19 . 1 1 26 26 LYS CB C 26 37.483 37.483 36.163 1.320 18152 12821 1 19 . 1 1 26 26 LYS H H 26 6.765 6.765 8.026 -1.261 18152 12822 1 19 . 1 1 27 27 LYS N N 27 119.758 119.758 120.443 -0.685 18152 12823 1 19 . 1 1 27 27 LYS HA H 27 5.452 5.452 5.301 0.151 18152 12824 1 19 . 1 1 27 27 LYS C C 27 175.482 175.482 175.335 0.147 18152 12825 1 19 . 1 1 27 27 LYS CA C 27 53.883 53.883 54.979 -1.096 18152 12826 1 19 . 1 1 27 27 LYS CB C 27 35.855 35.855 35.894 -0.039 18152 12827 1 19 . 1 1 27 27 LYS H H 27 7.885 7.885 8.184 -0.299 18152 12828 1 19 . 1 1 28 28 PHE N N 28 119.077 119.077 121.448 -2.371 18152 12829 1 19 . 1 1 28 28 PHE HA H 28 4.871 4.871 4.804 0.067 18152 12830 1 19 . 1 1 28 28 PHE C C 28 175.477 175.477 174.612 0.865 18152 12831 1 19 . 1 1 28 28 PHE CA C 28 56.100 56.100 56.927 -0.827 18152 12832 1 19 . 1 1 28 28 PHE CB C 28 42.734 42.734 43.844 -1.110 18152 12833 1 19 . 1 1 28 28 PHE H H 28 9.397 9.397 9.508 -0.111 18152 12834 1 19 . 1 1 29 29 SER N N 29 121.189 121.189 118.065 3.124 18152 12835 1 19 . 1 1 29 29 SER HA H 29 4.848 4.848 4.691 0.157 18152 12836 1 19 . 1 1 29 29 SER C C 29 172.010 172.010 173.294 -1.284 18152 12837 1 19 . 1 1 29 29 SER CA C 29 59.961 59.961 58.385 1.577 18152 12838 1 19 . 1 1 29 29 SER CB C 29 64.433 64.433 64.186 0.247 18152 12839 1 19 . 1 1 29 29 SER H H 29 9.010 9.010 8.823 0.187 18152 12840 1 19 . 1 1 30 30 ILE N N 30 120.881 120.881 126.994 -6.113 18152 12841 1 19 . 1 1 30 30 ILE HA H 30 4.942 4.942 4.474 0.468 18152 12842 1 19 . 1 1 30 30 ILE C C 30 174.874 174.874 174.781 0.093 18152 12843 1 19 . 1 1 30 30 ILE CA C 30 57.775 57.775 59.961 -2.186 18152 12844 1 19 . 1 1 30 30 ILE CB C 30 38.001 38.001 38.844 -0.843 18152 12845 1 19 . 1 1 30 30 ILE H H 30 8.084 8.084 8.598 -0.514 18152 12846 1 19 . 1 1 31 31 TYR N N 31 127.573 127.573 126.242 1.331 18152 12847 1 19 . 1 1 31 31 TYR HA H 31 5.299 5.299 4.996 0.303 18152 12848 1 19 . 1 1 31 31 TYR C C 31 174.806 174.806 175.506 -0.700 18152 12849 1 19 . 1 1 31 31 TYR CA C 31 56.120 56.120 56.482 -0.362 18152 12850 1 19 . 1 1 31 31 TYR CB C 31 41.139 41.139 41.078 0.062 18152 12851 1 19 . 1 1 31 31 TYR H H 31 9.174 9.174 8.553 0.621 18152 12852 1 19 . 1 1 32 32 TRP N N 32 121.993 121.993 124.560 -2.567 18152 12853 1 19 . 1 1 32 32 TRP HA H 32 4.583 4.583 4.430 0.153 18152 12854 1 19 . 1 1 32 32 TRP C C 32 175.194 175.194 175.988 -0.794 18152 12855 1 19 . 1 1 32 32 TRP CA C 32 57.396 57.396 59.326 -1.930 18152 12856 1 19 . 1 1 32 32 TRP CB C 32 29.670 29.670 30.657 -0.987 18152 12857 1 19 . 1 1 32 32 TRP H H 32 9.007 9.007 8.771 0.236 18152 12858 1 19 . 1 1 33 33 GLY N N 33 120.470 120.470 112.969 7.501 18152 12859 1 19 . 1 1 33 33 GLY C C 33 171.936 171.936 171.702 0.234 18152 12860 1 19 . 1 1 33 33 GLY CA C 33 44.532 44.532 44.395 0.137 18152 12861 1 19 . 1 1 33 33 GLY H H 33 7.758 7.758 7.397 0.361 18152 12862 1 19 . 1 1 34 34 ALA N N 34 120.239 120.239 123.268 -3.029 18152 12863 1 19 . 1 1 34 34 ALA HA H 34 4.447 4.447 4.369 0.078 18152 12864 1 19 . 1 1 34 34 ALA C C 34 176.174 176.174 175.399 0.775 18152 12865 1 19 . 1 1 34 34 ALA CA C 34 49.913 49.913 51.634 -1.721 18152 12866 1 19 . 1 1 34 34 ALA CB C 34 18.955 18.955 20.995 -2.040 18152 12867 1 19 . 1 1 34 34 ALA H H 34 7.883 7.883 7.816 0.067 18152 12868 1 19 . 1 1 35 35 ASP N N 35 118.828 118.828 124.851 -6.023 18152 12869 1 19 . 1 1 35 35 ASP HA H 35 4.450 4.450 4.787 -0.337 18152 12870 1 19 . 1 1 35 35 ASP C C 35 175.990 175.990 176.457 -0.467 18152 12871 1 19 . 1 1 35 35 ASP CA C 35 53.030 53.030 53.323 -0.293 18152 12872 1 19 . 1 1 35 35 ASP CB C 35 41.508 41.508 42.640 -1.132 18152 12873 1 19 . 1 1 35 35 ASP H H 35 7.944 7.944 8.249 -0.305 18152 12874 1 19 . 1 1 36 36 ASP N N 36 121.051 121.051 123.644 -2.593 18152 12875 1 19 . 1 1 36 36 ASP HA H 36 4.335 4.335 4.504 -0.169 18152 12876 1 19 . 1 1 36 36 ASP C C 36 177.296 177.296 176.487 0.809 18152 12877 1 19 . 1 1 36 36 ASP CA C 36 55.183 55.183 54.878 0.305 18152 12878 1 19 . 1 1 36 36 ASP CB C 36 39.837 39.837 40.652 -0.815 18152 12879 1 19 . 1 1 36 36 ASP H H 36 8.509 8.509 8.583 -0.074 18152 12880 1 19 . 1 1 37 37 ALA N N 37 119.568 119.568 123.408 -3.840 18152 12881 1 19 . 1 1 37 37 ALA HA H 37 4.060 4.060 4.198 -0.138 18152 12882 1 19 . 1 1 37 37 ALA C C 37 179.598 179.598 178.469 1.129 18152 12883 1 19 . 1 1 37 37 ALA CA C 37 53.967 53.967 53.616 0.351 18152 12884 1 19 . 1 1 37 37 ALA CB C 37 18.009 18.009 18.497 -0.488 18152 12885 1 19 . 1 1 37 37 ALA H H 37 8.169 8.169 7.884 0.285 18152 12886 1 19 . 1 1 38 38 THR HA H 38 3.850 3.850 4.371 -0.521 18152 12887 1 19 . 1 1 38 38 THR CA C 38 68.437 68.437 60.984 7.453 18152 12888 1 19 . 1 1 38 38 THR CB C 38 72.916 72.916 69.988 2.928 18152 12889 1 19 . 1 1 38 38 THR H H 38 7.621 7.621 7.764 -0.143 18152 12890 1 19 . 1 1 42 42 GLY N N 42 106.310 106.310 104.910 1.400 18152 12891 1 19 . 1 1 42 42 GLY CA C 42 46.480 46.480 45.103 1.377 18152 12892 1 19 . 1 1 43 43 VAL N N 43 121.961 121.961 123.182 -1.221 18152 12893 1 19 . 1 1 43 43 VAL HA H 43 4.481 4.481 4.440 0.041 18152 12894 1 19 . 1 1 43 43 VAL C C 43 174.308 174.308 174.975 -0.667 18152 12895 1 19 . 1 1 43 43 VAL CA C 43 61.079 61.079 61.171 -0.092 18152 12896 1 19 . 1 1 43 43 VAL CB C 43 32.911 32.911 30.678 2.233 18152 12897 1 19 . 1 1 43 43 VAL H H 43 8.247 8.247 7.737 0.510 18152 12898 1 19 . 1 1 44 44 GLY N N 44 114.325 114.325 114.450 -0.125 18152 12899 1 19 . 1 1 44 44 GLY C C 44 172.465 172.465 171.850 0.615 18152 12900 1 19 . 1 1 44 44 GLY CA C 44 43.458 43.458 43.564 -0.106 18152 12901 1 19 . 1 1 44 44 GLY H H 44 9.063 9.063 8.232 0.831 18152 12902 1 19 . 1 1 45 45 MET N N 45 125.031 125.031 120.571 4.460 18152 12903 1 19 . 1 1 45 45 MET HA H 45 4.742 4.742 5.359 -0.617 18152 12904 1 19 . 1 1 45 45 MET C C 45 173.873 173.873 173.878 -0.005 18152 12905 1 19 . 1 1 45 45 MET CA C 45 54.084 54.084 52.280 1.804 18152 12906 1 19 . 1 1 45 45 MET CB C 45 34.548 34.548 35.913 -1.365 18152 12907 1 19 . 1 1 45 45 MET H H 45 8.966 8.966 8.630 0.336 18152 12908 1 19 . 1 1 46 46 PHE N N 46 127.637 127.637 125.993 1.644 18152 12909 1 19 . 1 1 46 46 PHE HA H 46 3.611 3.611 4.312 -0.701 18152 12910 1 19 . 1 1 46 46 PHE C C 46 175.023 175.023 173.930 1.093 18152 12911 1 19 . 1 1 46 46 PHE CA C 46 59.286 59.286 57.877 1.409 18152 12912 1 19 . 1 1 46 46 PHE CB C 46 40.644 40.644 40.122 0.522 18152 12913 1 19 . 1 1 46 46 PHE H H 46 8.790 8.790 8.549 0.241 18152 12914 1 19 . 1 1 47 47 VAL N N 47 130.695 130.695 127.973 2.722 18152 12915 1 19 . 1 1 47 47 VAL HA H 47 3.663 3.663 3.940 -0.277 18152 12916 1 19 . 1 1 47 47 VAL C C 47 174.235 174.235 174.116 0.119 18152 12917 1 19 . 1 1 47 47 VAL CA C 47 61.455 61.455 60.928 0.527 18152 12918 1 19 . 1 1 47 47 VAL CB C 47 32.002 32.002 32.215 -0.213 18152 12919 1 19 . 1 1 47 47 VAL H H 47 7.942 7.942 7.498 0.444 18152 12920 1 19 . 1 1 48 48 SER N N 48 120.391 120.391 123.130 -2.739 18152 12921 1 19 . 1 1 48 48 SER HA H 48 4.626 4.626 4.639 -0.013 18152 12922 1 19 . 1 1 48 48 SER C C 48 173.167 173.167 172.980 0.187 18152 12923 1 19 . 1 1 48 48 SER CA C 48 57.384 57.384 57.237 0.147 18152 12924 1 19 . 1 1 48 48 SER CB C 48 65.720 65.720 65.668 0.052 18152 12925 1 19 . 1 1 48 48 SER H H 48 7.971 7.971 8.289 -0.318 18152 12926 1 19 . 1 1 49 49 ASP N N 49 117.498 117.498 121.895 -4.397 18152 12927 1 19 . 1 1 49 49 ASP HA H 49 4.603 4.603 4.537 0.066 18152 12928 1 19 . 1 1 49 49 ASP C C 49 174.539 174.539 177.513 -2.974 18152 12929 1 19 . 1 1 49 49 ASP CA C 49 55.222 55.222 56.306 -1.084 18152 12930 1 19 . 1 1 49 49 ASP CB C 49 40.206 40.206 41.299 -1.093 18152 12931 1 19 . 1 1 49 49 ASP H H 49 8.701 8.701 8.827 -0.126 18152 12932 1 19 . 1 1 50 50 VAL N N 50 109.465 109.465 112.609 -3.144 18152 12933 1 19 . 1 1 50 50 VAL HA H 50 4.455 4.455 4.186 0.269 18152 12934 1 19 . 1 1 50 50 VAL C C 50 174.487 174.487 176.142 -1.655 18152 12935 1 19 . 1 1 50 50 VAL CA C 50 60.840 60.840 63.402 -2.562 18152 12936 1 19 . 1 1 50 50 VAL CB C 50 32.067 32.067 32.282 -0.215 18152 12937 1 19 . 1 1 50 50 VAL H H 50 7.770 7.770 7.826 -0.056 18152 12938 1 19 . 1 1 51 51 THR N N 51 110.572 110.572 111.823 -1.251 18152 12939 1 19 . 1 1 51 51 THR HA H 51 5.293 5.293 4.434 0.859 18152 12940 1 19 . 1 1 51 51 THR C C 51 174.591 174.591 174.716 -0.125 18152 12941 1 19 . 1 1 51 51 THR CA C 51 58.487 58.487 62.050 -3.563 18152 12942 1 19 . 1 1 51 51 THR CB C 51 71.674 71.674 69.954 1.720 18152 12943 1 19 . 1 1 51 51 THR H H 51 7.095 7.095 7.799 -0.704 18152 12944 1 19 . 1 1 52 52 THR N N 52 109.706 109.706 115.710 -6.004 18152 12945 1 19 . 1 1 52 52 THR HA H 52 4.988 4.988 4.837 0.151 18152 12946 1 19 . 1 1 52 52 THR C C 52 177.060 177.060 172.963 4.097 18152 12947 1 19 . 1 1 52 52 THR CA C 52 59.777 59.777 60.792 -1.015 18152 12948 1 19 . 1 1 52 52 THR CB C 52 72.911 72.911 71.659 1.252 18152 12949 1 19 . 1 1 52 52 THR H H 52 8.836 8.836 8.789 0.047 18152 12950 1 19 . 1 1 53 53 THR N N 53 113.970 113.970 113.791 0.179 18152 12951 1 19 . 1 1 53 53 THR HA H 53 4.601 4.601 4.925 -0.324 18152 12952 1 19 . 1 1 53 53 THR C C 53 176.085 176.085 173.243 2.842 18152 12953 1 19 . 1 1 53 53 THR CA C 53 60.920 60.920 57.929 2.991 18152 12954 1 19 . 1 1 53 53 THR CB C 53 67.192 67.192 70.068 -2.876 18152 12955 1 19 . 1 1 53 53 THR H H 53 8.857 8.857 8.162 0.696 18152 12956 1 19 . 1 1 54 54 PRO HA H 54 4.023 4.023 4.405 -0.382 18152 12957 1 19 . 1 1 54 54 PRO CA C 54 64.658 64.658 63.055 1.603 18152 12958 1 19 . 1 1 54 54 PRO CB C 54 29.665 29.665 30.486 -0.821 18152 12959 1 19 . 1 1 55 55 SER N N 55 105.932 105.932 118.537 -12.605 18152 12960 1 19 . 1 1 55 55 SER HA H 55 4.448 4.448 4.182 0.266 18152 12961 1 19 . 1 1 55 55 SER C C 55 176.253 176.253 173.229 3.024 18152 12962 1 19 . 1 1 55 55 SER CA C 55 58.086 58.086 56.727 1.359 18152 12963 1 19 . 1 1 55 55 SER CB C 55 62.950 62.950 64.002 -1.052 18152 12964 1 19 . 1 1 55 55 SER H H 55 6.879 6.879 7.884 -1.005 18152 12965 1 19 . 1 1 56 56 GLY N N 56 109.826 109.826 108.770 1.056 18152 12966 1 19 . 1 1 56 56 GLY C C 56 175.832 175.832 174.038 1.794 18152 12967 1 19 . 1 1 56 56 GLY CA C 56 45.213 45.213 45.020 0.193 18152 12968 1 19 . 1 1 56 56 GLY H H 56 7.733 7.733 7.421 0.312 18152 12969 1 19 . 1 1 57 57 GLY N N 57 105.805 105.805 110.744 -4.939 18152 12970 1 19 . 1 1 57 57 GLY C C 57 172.905 172.905 173.473 -0.568 18152 12971 1 19 . 1 1 57 57 GLY CA C 57 46.480 46.480 45.531 0.949 18152 12972 1 19 . 1 1 57 57 GLY H H 57 7.481 7.481 8.547 -1.066 18152 12973 1 19 . 1 1 58 58 GLY N N 58 109.086 109.086 109.228 -0.142 18152 12974 1 19 . 1 1 58 58 GLY C C 58 172.807 172.807 172.688 0.119 18152 12975 1 19 . 1 1 58 58 GLY CA C 58 43.642 43.642 44.367 -0.725 18152 12976 1 19 . 1 1 58 58 GLY H H 58 7.549 7.549 7.853 -0.304 18152 12977 1 19 . 1 1 59 59 HIS N N 59 127.776 127.776 121.485 6.291 18152 12978 1 19 . 1 1 59 59 HIS HA H 59 5.162 5.162 4.943 0.219 18152 12979 1 19 . 1 1 59 59 HIS C C 59 174.930 174.930 174.159 0.771 18152 12980 1 19 . 1 1 59 59 HIS CA C 59 52.820 52.820 55.406 -2.586 18152 12981 1 19 . 1 1 59 59 HIS CB C 59 30.250 30.250 30.579 -0.329 18152 12982 1 19 . 1 1 59 59 HIS H H 59 9.517 9.517 8.802 0.715 18152 12983 1 19 . 1 1 60 60 THR N N 60 127.768 127.768 124.695 3.073 18152 12984 1 19 . 1 1 60 60 THR HA H 60 4.870 4.870 4.954 -0.084 18152 12985 1 19 . 1 1 60 60 THR C C 60 171.847 171.847 173.020 -1.173 18152 12986 1 19 . 1 1 60 60 THR CA C 60 61.358 61.358 61.519 -0.161 18152 12987 1 19 . 1 1 60 60 THR CB C 60 69.821 69.821 70.010 -0.189 18152 12988 1 19 . 1 1 60 60 THR H H 60 9.769 9.769 9.228 0.541 18152 12989 1 19 . 1 1 61 61 VAL N N 61 126.493 126.493 128.124 -1.631 18152 12990 1 19 . 1 1 61 61 VAL HA H 61 4.641 4.641 4.950 -0.309 18152 12991 1 19 . 1 1 61 61 VAL C C 61 173.794 173.794 174.516 -0.722 18152 12992 1 19 . 1 1 61 61 VAL CA C 61 59.808 59.808 61.246 -1.438 18152 12993 1 19 . 1 1 61 61 VAL CB C 61 33.334 33.334 34.283 -0.949 18152 12994 1 19 . 1 1 61 61 VAL H H 61 8.534 8.534 8.554 -0.020 18152 12995 1 19 . 1 1 62 62 LEU N N 62 126.342 126.342 128.047 -1.705 18152 12996 1 19 . 1 1 62 62 LEU HA H 62 5.345 5.345 5.298 0.047 18152 12997 1 19 . 1 1 62 62 LEU C C 62 175.554 175.554 175.307 0.247 18152 12998 1 19 . 1 1 62 62 LEU CA C 62 51.143 51.143 53.132 -1.989 18152 12999 1 19 . 1 1 62 62 LEU CB C 62 43.344 43.344 45.644 -2.300 18152 13000 1 19 . 1 1 62 62 LEU H H 62 9.284 9.284 9.371 -0.087 18152 13001 1 19 . 1 1 63 63 SER N N 63 116.370 116.370 116.684 -0.314 18152 13002 1 19 . 1 1 63 63 SER HA H 63 5.328 5.328 5.738 -0.410 18152 13003 1 19 . 1 1 63 63 SER C C 63 174.576 174.576 173.260 1.316 18152 13004 1 19 . 1 1 63 63 SER CA C 63 54.893 54.893 56.379 -1.486 18152 13005 1 19 . 1 1 63 63 SER CB C 63 64.901 64.901 65.229 -0.328 18152 13006 1 19 . 1 1 63 63 SER H H 63 9.117 9.117 8.757 0.360 18152 13007 1 19 . 1 1 64 64 GLY N N 64 111.783 111.783 111.467 0.316 18152 13008 1 19 . 1 1 64 64 GLY C C 64 173.058 173.058 171.189 1.869 18152 13009 1 19 . 1 1 64 64 GLY CA C 64 45.547 45.547 45.081 0.466 18152 13010 1 19 . 1 1 64 64 GLY H H 64 8.723 8.723 8.116 0.607 18152 13011 1 19 . 1 1 74 74 GLY C C 74 173.703 173.703 175.440 -1.737 18152 13012 1 19 . 1 1 74 74 GLY CA C 74 45.507 45.507 46.034 -0.527 18152 13013 1 19 . 1 1 75 75 GLN N N 75 116.093 116.093 119.047 -2.954 18152 13014 1 19 . 1 1 75 75 GLN HA H 75 4.229 4.229 4.134 0.095 18152 13015 1 19 . 1 1 75 75 GLN C C 75 177.319 177.319 176.588 0.731 18152 13016 1 19 . 1 1 75 75 GLN CA C 75 56.016 56.016 57.750 -1.734 18152 13017 1 19 . 1 1 75 75 GLN CB C 75 29.310 29.310 29.573 -0.263 18152 13018 1 19 . 1 1 75 75 GLN H H 75 7.598 7.598 7.638 -0.040 18152 13019 1 19 . 1 1 76 76 LEU N N 76 117.894 117.894 117.480 0.414 18152 13020 1 19 . 1 1 76 76 LEU HA H 76 4.373 4.373 4.629 -0.256 18152 13021 1 19 . 1 1 76 76 LEU C C 76 175.639 175.639 175.116 0.523 18152 13022 1 19 . 1 1 76 76 LEU CA C 76 54.578 54.578 54.538 0.041 18152 13023 1 19 . 1 1 76 76 LEU CB C 76 41.720 41.720 40.361 1.359 18152 13024 1 19 . 1 1 76 76 LEU H H 76 7.285 7.285 7.401 -0.116 18152 13025 1 19 . 1 1 77 77 LYS N N 77 122.287 122.287 119.795 2.492 18152 13026 1 19 . 1 1 77 77 LYS HA H 77 4.545 4.545 4.393 0.152 18152 13027 1 19 . 1 1 77 77 LYS C C 77 175.553 175.553 175.949 -0.396 18152 13028 1 19 . 1 1 77 77 LYS CA C 77 53.336 53.336 56.034 -2.698 18152 13029 1 19 . 1 1 77 77 LYS CB C 77 36.380 36.380 34.125 2.255 18152 13030 1 19 . 1 1 77 77 LYS H H 77 9.513 9.513 7.593 1.920 18152 13031 1 19 . 1 1 78 78 GLU N N 78 118.949 118.949 120.198 -1.249 18152 13032 1 19 . 1 1 78 78 GLU HA H 78 3.523 3.523 4.512 -0.989 18152 13033 1 19 . 1 1 78 78 GLU C C 78 177.053 177.053 177.052 0.001 18152 13034 1 19 . 1 1 78 78 GLU CA C 78 59.205 59.205 58.587 0.619 18152 13035 1 19 . 1 1 78 78 GLU CB C 78 28.284 28.284 29.754 -1.470 18152 13036 1 19 . 1 1 78 78 GLU H H 78 8.900 8.900 8.933 -0.033 18152 13037 1 19 . 1 1 79 79 LYS N N 79 114.843 114.843 115.881 -1.038 18152 13038 1 19 . 1 1 79 79 LYS HA H 79 3.751 3.751 4.308 -0.557 18152 13039 1 19 . 1 1 79 79 LYS C C 79 176.434 176.434 175.678 0.756 18152 13040 1 19 . 1 1 79 79 LYS CA C 79 59.231 59.231 56.914 2.317 18152 13041 1 19 . 1 1 79 79 LYS CB C 79 29.657 29.657 32.470 -2.813 18152 13042 1 19 . 1 1 79 79 LYS H H 79 8.909 8.909 7.900 1.009 18152 13043 1 19 . 1 1 80 80 ASP N N 80 119.664 119.664 120.074 -0.410 18152 13044 1 19 . 1 1 80 80 ASP HA H 80 4.946 4.946 4.599 0.347 18152 13045 1 19 . 1 1 80 80 ASP C C 80 175.886 175.886 174.919 0.967 18152 13046 1 19 . 1 1 80 80 ASP CA C 80 55.661 55.661 54.666 0.995 18152 13047 1 19 . 1 1 80 80 ASP CB C 80 41.782 41.782 42.425 -0.643 18152 13048 1 19 . 1 1 80 80 ASP H H 80 8.052 8.052 7.481 0.571 18152 13049 1 19 . 1 1 81 81 THR N N 81 111.597 111.597 114.577 -2.980 18152 13050 1 19 . 1 1 81 81 THR HA H 81 5.321 5.321 4.950 0.371 18152 13051 1 19 . 1 1 81 81 THR C C 81 174.221 174.221 173.643 0.578 18152 13052 1 19 . 1 1 81 81 THR CA C 81 61.103 61.103 61.303 -0.200 18152 13053 1 19 . 1 1 81 81 THR CB C 81 71.264 71.264 71.246 0.018 18152 13054 1 19 . 1 1 81 81 THR H H 81 8.083 8.083 8.331 -0.248 18152 13055 1 19 . 1 1 82 82 LEU N N 82 120.358 120.358 126.539 -6.181 18152 13056 1 19 . 1 1 82 82 LEU HA H 82 4.836 4.836 4.730 0.106 18152 13057 1 19 . 1 1 82 82 LEU C C 82 174.850 174.850 175.791 -0.941 18152 13058 1 19 . 1 1 82 82 LEU CA C 82 53.721 53.721 53.989 -0.268 18152 13059 1 19 . 1 1 82 82 LEU CB C 82 45.655 45.655 43.451 2.204 18152 13060 1 19 . 1 1 82 82 LEU H H 82 8.684 8.684 8.389 0.295 18152 13061 1 19 . 1 1 83 83 VAL N N 83 121.834 121.834 123.433 -1.599 18152 13062 1 19 . 1 1 83 83 VAL HA H 83 5.269 5.269 5.384 -0.115 18152 13063 1 19 . 1 1 83 83 VAL C C 83 174.766 174.766 175.332 -0.566 18152 13064 1 19 . 1 1 83 83 VAL CA C 83 61.157 61.157 59.966 1.191 18152 13065 1 19 . 1 1 83 83 VAL CB C 83 34.923 34.923 32.536 2.387 18152 13066 1 19 . 1 1 83 83 VAL H H 83 8.670 8.670 8.527 0.143 18152 13067 1 19 . 1 1 84 84 LEU N N 84 129.811 129.811 129.686 0.125 18152 13068 1 19 . 1 1 84 84 LEU HA H 84 5.647 5.647 5.049 0.598 18152 13069 1 19 . 1 1 84 84 LEU C C 84 175.644 175.644 176.264 -0.620 18152 13070 1 19 . 1 1 84 84 LEU CA C 84 53.160 53.160 53.944 -0.784 18152 13071 1 19 . 1 1 84 84 LEU CB C 84 46.815 46.815 43.331 3.484 18152 13072 1 19 . 1 1 84 84 LEU H H 84 10.025 10.025 9.448 0.577 18152 13073 1 19 . 1 1 85 85 GLU N N 85 125.273 125.273 125.045 0.228 18152 13074 1 19 . 1 1 85 85 GLU HA H 85 5.293 5.293 5.284 0.009 18152 13075 1 19 . 1 1 85 85 GLU C C 85 175.910 175.910 175.550 0.360 18152 13076 1 19 . 1 1 85 85 GLU CA C 85 54.716 54.716 55.564 -0.848 18152 13077 1 19 . 1 1 85 85 GLU CB C 85 30.904 30.904 31.014 -0.110 18152 13078 1 19 . 1 1 85 85 GLU H H 85 9.117 9.117 8.751 0.366 18152 13079 1 19 . 1 1 86 86 TYR N N 86 125.299 125.299 126.693 -1.394 18152 13080 1 19 . 1 1 86 86 TYR HA H 86 4.825 4.825 4.797 0.028 18152 13081 1 19 . 1 1 86 86 TYR C C 86 174.077 174.077 174.578 -0.501 18152 13082 1 19 . 1 1 86 86 TYR CA C 86 57.516 57.516 57.754 -0.238 18152 13083 1 19 . 1 1 86 86 TYR CB C 86 41.720 41.720 43.405 -1.685 18152 13084 1 19 . 1 1 86 86 TYR H H 86 9.056 9.056 9.408 -0.352 18152 13085 1 19 . 1 1 87 87 ASP N N 87 131.006 131.006 127.640 3.366 18152 13086 1 19 . 1 1 87 87 ASP HA H 87 3.921 3.921 4.189 -0.268 18152 13087 1 19 . 1 1 87 87 ASP C C 87 171.773 171.773 175.487 -3.714 18152 13088 1 19 . 1 1 87 87 ASP CA C 87 54.613 54.613 55.134 -0.521 18152 13089 1 19 . 1 1 87 87 ASP CB C 87 39.659 39.659 40.387 -0.728 18152 13090 1 19 . 1 1 87 87 ASP H H 87 9.071 9.071 9.061 0.010 18152 13091 1 19 . 1 1 88 88 ASN N N 88 109.843 109.843 110.700 -0.857 18152 13092 1 19 . 1 1 88 88 ASN HA H 88 4.159 4.159 4.307 -0.148 18152 13093 1 19 . 1 1 88 88 ASN C C 88 173.995 173.995 174.685 -0.690 18152 13094 1 19 . 1 1 88 88 ASN CA C 88 54.528 54.528 55.061 -0.533 18152 13095 1 19 . 1 1 88 88 ASN CB C 88 37.383 37.383 37.922 -0.540 18152 13096 1 19 . 1 1 88 88 ASN H H 88 8.613 8.613 8.784 -0.171 18152 13097 1 19 . 1 1 89 89 LYS N N 89 119.021 119.021 119.481 -0.460 18152 13098 1 19 . 1 1 89 89 LYS HA H 89 4.714 4.714 4.835 -0.121 18152 13099 1 19 . 1 1 89 89 LYS C C 89 174.644 174.644 175.617 -0.973 18152 13100 1 19 . 1 1 89 89 LYS CA C 89 55.133 55.133 55.950 -0.817 18152 13101 1 19 . 1 1 89 89 LYS CB C 89 36.460 36.460 35.240 1.220 18152 13102 1 19 . 1 1 89 89 LYS H H 89 7.903 7.903 8.432 -0.529 18152 13103 1 19 . 1 1 90 90 THR N N 90 117.141 117.141 119.058 -1.917 18152 13104 1 19 . 1 1 90 90 THR HA H 90 4.819 4.819 5.401 -0.582 18152 13105 1 19 . 1 1 90 90 THR C C 90 172.823 172.823 173.868 -1.045 18152 13106 1 19 . 1 1 90 90 THR CA C 90 61.745 61.745 61.413 0.332 18152 13107 1 19 . 1 1 90 90 THR CB C 90 69.709 69.709 70.117 -0.408 18152 13108 1 19 . 1 1 90 90 THR H H 90 8.451 8.451 9.104 -0.653 18152 13109 1 19 . 1 1 91 91 TYR N N 91 127.333 127.333 127.692 -0.359 18152 13110 1 19 . 1 1 91 91 TYR HA H 91 4.620 4.620 5.112 -0.492 18152 13111 1 19 . 1 1 91 91 TYR C C 91 174.313 174.313 175.813 -1.500 18152 13112 1 19 . 1 1 91 91 TYR CA C 91 56.764 56.764 56.579 0.185 18152 13113 1 19 . 1 1 91 91 TYR CB C 91 41.054 41.054 40.816 0.238 18152 13114 1 19 . 1 1 91 91 TYR H H 91 9.552 9.552 9.661 -0.109 18152 13115 1 19 . 1 1 92 92 THR N N 92 117.709 117.709 119.356 -1.647 18152 13116 1 19 . 1 1 92 92 THR HA H 92 4.941 4.941 4.753 0.188 18152 13117 1 19 . 1 1 92 92 THR C C 92 172.464 172.464 173.657 -1.193 18152 13118 1 19 . 1 1 92 92 THR CA C 92 61.320 61.320 61.403 -0.083 18152 13119 1 19 . 1 1 92 92 THR CB C 92 69.546 69.546 68.530 1.016 18152 13120 1 19 . 1 1 92 92 THR H H 92 8.705 8.705 9.322 -0.617 18152 13121 1 19 . 1 1 93 93 TYR N N 93 122.946 122.946 126.317 -3.371 18152 13122 1 19 . 1 1 93 93 TYR HA H 93 5.431 5.431 5.163 0.268 18152 13123 1 19 . 1 1 93 93 TYR C C 93 174.846 174.846 175.562 -0.716 18152 13124 1 19 . 1 1 93 93 TYR CA C 93 55.804 55.804 57.195 -1.391 18152 13125 1 19 . 1 1 93 93 TYR CB C 93 42.627 42.627 41.495 1.132 18152 13126 1 19 . 1 1 93 93 TYR H H 93 9.381 9.381 9.736 -0.355 18152 13127 1 19 . 1 1 94 94 GLU N N 94 121.240 121.240 121.393 -0.153 18152 13128 1 19 . 1 1 94 94 GLU HA H 94 4.901 4.901 4.990 -0.089 18152 13129 1 19 . 1 1 94 94 GLU C C 94 177.060 177.060 175.858 1.202 18152 13130 1 19 . 1 1 94 94 GLU CA C 94 54.073 54.073 54.282 -0.209 18152 13131 1 19 . 1 1 94 94 GLU CB C 94 33.787 33.787 33.846 -0.059 18152 13132 1 19 . 1 1 94 94 GLU H H 94 9.100 9.100 9.108 -0.008 18152 13133 1 19 . 1 1 95 95 ILE N N 95 128.525 128.525 128.319 0.206 18152 13134 1 19 . 1 1 95 95 ILE HA H 95 3.737 3.737 4.115 -0.378 18152 13135 1 19 . 1 1 95 95 ILE C C 95 176.261 176.261 176.650 -0.389 18152 13136 1 19 . 1 1 95 95 ILE CA C 95 64.664 64.664 62.913 1.751 18152 13137 1 19 . 1 1 95 95 ILE CB C 95 37.472 37.472 36.212 1.260 18152 13138 1 19 . 1 1 95 95 ILE H H 95 9.293 9.293 8.594 0.699 18152 13139 1 19 . 1 1 96 96 GLN N N 96 127.221 127.221 128.402 -1.181 18152 13140 1 19 . 1 1 96 96 GLN HA H 96 4.831 4.831 4.361 0.470 18152 13141 1 19 . 1 1 96 96 GLN C C 96 174.674 174.674 176.194 -1.520 18152 13142 1 19 . 1 1 96 96 GLN CA C 96 54.632 54.632 57.562 -2.930 18152 13143 1 19 . 1 1 96 96 GLN CB C 96 31.165 31.165 30.004 1.161 18152 13144 1 19 . 1 1 96 96 GLN H H 96 10.106 10.106 8.651 1.455 18152 13145 1 19 . 1 1 97 97 LYS N N 97 120.717 120.717 117.622 3.095 18152 13146 1 19 . 1 1 97 97 LYS HA H 97 4.658 4.658 4.606 0.052 18152 13147 1 19 . 1 1 97 97 LYS C C 97 173.200 173.200 174.391 -1.191 18152 13148 1 19 . 1 1 97 97 LYS CA C 97 56.528 56.528 55.727 0.801 18152 13149 1 19 . 1 1 97 97 LYS CB C 97 36.462 36.462 35.198 1.264 18152 13150 1 19 . 1 1 97 97 LYS H H 97 7.958 7.958 7.686 0.272 18152 13151 1 19 . 1 1 98 98 ILE N N 98 125.089 125.089 124.494 0.595 18152 13152 1 19 . 1 1 98 98 ILE HA H 98 5.221 5.221 4.813 0.408 18152 13153 1 19 . 1 1 98 98 ILE C C 98 175.821 175.821 175.611 0.210 18152 13154 1 19 . 1 1 98 98 ILE CA C 98 60.078 60.078 60.274 -0.196 18152 13155 1 19 . 1 1 98 98 ILE CB C 98 42.082 42.082 39.691 2.391 18152 13156 1 19 . 1 1 98 98 ILE H H 98 8.458 8.458 8.484 -0.026 18152 13157 1 19 . 1 1 99 99 TRP N N 99 129.003 129.003 126.391 2.612 18152 13158 1 19 . 1 1 99 99 TRP HA H 99 4.661 4.661 4.977 -0.316 18152 13159 1 19 . 1 1 99 99 TRP C C 99 170.353 170.353 172.910 -2.557 18152 13160 1 19 . 1 1 99 99 TRP CA C 99 56.388 56.388 55.803 0.584 18152 13161 1 19 . 1 1 99 99 TRP CB C 99 31.158 31.158 30.581 0.577 18152 13162 1 19 . 1 1 99 99 TRP H H 99 9.291 9.291 8.375 0.916 18152 13163 1 19 . 1 1 100 100 ILE N N 100 117.739 117.739 120.409 -2.670 18152 13164 1 19 . 1 1 100 100 ILE HA H 100 4.616 4.616 4.936 -0.320 18152 13165 1 19 . 1 1 100 100 ILE C C 100 176.258 176.258 175.552 0.706 18152 13166 1 19 . 1 1 100 100 ILE CA C 100 58.973 58.973 60.251 -1.278 18152 13167 1 19 . 1 1 100 100 ILE CB C 100 40.734 40.734 40.890 -0.156 18152 13168 1 19 . 1 1 100 100 ILE H H 100 7.778 7.778 8.418 -0.640 18152 13169 1 19 . 1 1 101 101 THR N N 101 120.676 120.676 120.413 0.263 18152 13170 1 19 . 1 1 101 101 THR HA H 101 4.755 4.755 4.881 -0.126 18152 13171 1 19 . 1 1 101 101 THR C C 101 172.069 172.069 173.067 -0.998 18152 13172 1 19 . 1 1 101 101 THR CA C 101 57.557 57.557 59.537 -1.980 18152 13173 1 19 . 1 1 101 101 THR CB C 101 70.656 70.656 70.668 -0.013 18152 13174 1 19 . 1 1 101 101 THR H H 101 8.587 8.587 8.998 -0.411 18152 13175 1 19 . 1 1 102 102 HIS N N 102 119.885 119.885 121.080 -1.195 18152 13176 1 19 . 1 1 102 102 HIS HA H 102 5.401 5.401 4.554 0.847 18152 13177 1 19 . 1 1 102 102 HIS C C 102 176.781 176.781 176.658 0.123 18152 13178 1 19 . 1 1 102 102 HIS CA C 102 54.482 54.482 56.400 -1.918 18152 13179 1 19 . 1 1 102 102 HIS CB C 102 31.240 31.240 30.967 0.273 18152 13180 1 19 . 1 1 102 102 HIS H H 102 8.194 8.194 8.863 -0.669 18152 13181 1 19 . 1 1 103 103 ALA N N 103 121.632 121.632 129.443 -7.811 18152 13182 1 19 . 1 1 103 103 ALA HA H 103 3.710 3.710 3.995 -0.285 18152 13183 1 19 . 1 1 103 103 ALA C C 103 177.587 177.587 177.532 0.055 18152 13184 1 19 . 1 1 103 103 ALA CA C 103 54.899 54.899 54.620 0.279 18152 13185 1 19 . 1 1 103 103 ALA CB C 103 17.981 17.981 18.756 -0.775 18152 13186 1 19 . 1 1 103 103 ALA H H 103 8.405 8.405 8.375 0.030 18152 13187 1 19 . 1 1 104 104 ASP N N 104 114.513 114.513 117.212 -2.699 18152 13188 1 19 . 1 1 104 104 ASP HA H 104 4.603 4.603 4.555 0.048 18152 13189 1 19 . 1 1 104 104 ASP C C 104 175.283 175.283 175.310 -0.027 18152 13190 1 19 . 1 1 104 104 ASP CA C 104 53.070 53.070 54.465 -1.395 18152 13191 1 19 . 1 1 104 104 ASP CB C 104 40.034 40.034 40.158 -0.124 18152 13192 1 19 . 1 1 104 104 ASP H H 104 8.314 8.314 7.827 0.487 18152 13193 1 19 . 1 1 105 105 ASP N N 105 119.184 119.184 120.459 -1.275 18152 13194 1 19 . 1 1 105 105 ASP HA H 105 4.170 4.170 4.688 -0.518 18152 13195 1 19 . 1 1 105 105 ASP C C 105 177.674 177.674 176.908 0.766 18152 13196 1 19 . 1 1 105 105 ASP CA C 105 54.268 54.268 53.426 0.842 18152 13197 1 19 . 1 1 105 105 ASP CB C 105 39.846 39.846 41.139 -1.293 18152 13198 1 19 . 1 1 105 105 ASP H H 105 7.043 7.043 7.563 -0.520 18152 13199 1 19 . 1 1 106 106 ARG N N 106 127.998 127.998 125.977 2.021 18152 13200 1 19 . 1 1 106 106 ARG HA H 106 4.368 4.368 4.145 0.223 18152 13201 1 19 . 1 1 106 106 ARG C C 106 177.709 177.709 177.802 -0.093 18152 13202 1 19 . 1 1 106 106 ARG CA C 106 55.888 55.888 58.219 -2.332 18152 13203 1 19 . 1 1 106 106 ARG CB C 106 29.264 29.264 29.780 -0.516 18152 13204 1 19 . 1 1 106 106 ARG H H 106 8.921 8.921 8.028 0.893 18152 13205 1 19 . 1 1 107 107 THR N N 107 111.880 111.880 113.140 -1.260 18152 13206 1 19 . 1 1 107 107 THR HA H 107 4.139 4.139 4.075 0.064 18152 13207 1 19 . 1 1 107 107 THR C C 107 173.548 173.548 175.126 -1.578 18152 13208 1 19 . 1 1 107 107 THR CA C 107 62.350 62.350 65.276 -2.926 18152 13209 1 19 . 1 1 107 107 THR CB C 107 68.935 68.935 68.396 0.539 18152 13210 1 19 . 1 1 107 107 THR H H 107 8.857 8.857 8.126 0.731 18152 13211 1 19 . 1 1 108 108 VAL N N 108 118.971 118.971 111.074 7.897 18152 13212 1 19 . 1 1 108 108 VAL HA H 108 3.942 3.942 4.528 -0.586 18152 13213 1 19 . 1 1 108 108 VAL C C 108 176.853 176.853 175.440 1.413 18152 13214 1 19 . 1 1 108 108 VAL CA C 108 63.878 63.878 62.467 1.411 18152 13215 1 19 . 1 1 108 108 VAL CB C 108 32.470 32.470 32.983 -0.513 18152 13216 1 19 . 1 1 108 108 VAL H H 108 6.811 6.811 7.418 -0.607 18152 13217 1 19 . 1 1 109 109 ILE N N 109 120.334 120.334 117.871 2.463 18152 13218 1 19 . 1 1 109 109 ILE HA H 109 3.438 3.438 4.204 -0.766 18152 13219 1 19 . 1 1 109 109 ILE C C 109 173.191 173.191 175.925 -2.734 18152 13220 1 19 . 1 1 109 109 ILE CA C 109 60.963 60.963 60.106 0.857 18152 13221 1 19 . 1 1 109 109 ILE CB C 109 33.933 33.933 38.095 -4.162 18152 13222 1 19 . 1 1 109 109 ILE H H 109 8.053 8.053 7.864 0.189 18152 13223 1 19 . 1 1 110 110 ILE N N 110 118.981 118.981 118.857 0.124 18152 13224 1 19 . 1 1 110 110 ILE HA H 110 4.542 4.542 4.421 0.121 18152 13225 1 19 . 1 1 110 110 ILE C C 110 174.405 174.405 174.669 -0.264 18152 13226 1 19 . 1 1 110 110 ILE CA C 110 57.932 57.932 59.529 -1.597 18152 13227 1 19 . 1 1 110 110 ILE CB C 110 42.146 42.146 38.381 3.765 18152 13228 1 19 . 1 1 110 110 ILE H H 110 6.877 6.877 7.830 -0.953 18152 13229 1 19 . 1 1 111 111 LYS N N 111 123.307 123.307 118.576 4.731 18152 13230 1 19 . 1 1 111 111 LYS HA H 111 4.609 4.609 4.734 -0.125 18152 13231 1 19 . 1 1 111 111 LYS C C 111 176.528 176.528 175.970 0.558 18152 13232 1 19 . 1 1 111 111 LYS CA C 111 56.695 56.695 55.254 1.441 18152 13233 1 19 . 1 1 111 111 LYS CB C 111 33.092 33.092 33.668 -0.576 18152 13234 1 19 . 1 1 111 111 LYS H H 111 8.492 8.492 7.958 0.534 18152 13235 1 19 . 1 1 112 112 LYS N N 112 121.425 121.425 121.247 0.178 18152 13236 1 19 . 1 1 112 112 LYS HA H 112 4.706 4.706 4.364 0.342 18152 13237 1 19 . 1 1 112 112 LYS C C 112 175.996 175.996 176.545 -0.549 18152 13238 1 19 . 1 1 112 112 LYS CA C 112 53.271 53.271 54.740 -1.469 18152 13239 1 19 . 1 1 112 112 LYS CB C 112 36.089 36.089 34.523 1.566 18152 13240 1 19 . 1 1 112 112 LYS H H 112 8.351 8.351 8.592 -0.241 18152 13241 1 19 . 1 1 113 113 GLU N N 113 119.533 119.533 122.471 -2.938 18152 13242 1 19 . 1 1 113 113 GLU HA H 113 4.372 4.372 4.231 0.141 18152 13243 1 19 . 1 1 113 113 GLU C C 113 174.477 174.477 175.795 -1.318 18152 13244 1 19 . 1 1 113 113 GLU CA C 113 55.175 55.175 56.663 -1.488 18152 13245 1 19 . 1 1 113 113 GLU CB C 113 29.097 29.097 29.756 -0.659 18152 13246 1 19 . 1 1 113 113 GLU H H 113 8.815 8.815 8.774 0.041 18152 13247 1 19 . 1 1 114 114 GLU N N 114 117.843 117.843 117.730 0.113 18152 13248 1 19 . 1 1 114 114 GLU HA H 114 4.701 4.701 4.695 0.006 18152 13249 1 19 . 1 1 114 114 GLU C C 114 172.378 172.378 173.830 -1.452 18152 13250 1 19 . 1 1 114 114 GLU CA C 114 52.633 52.633 52.932 -0.299 18152 13251 1 19 . 1 1 114 114 GLU CB C 114 30.487 30.487 30.482 0.005 18152 13252 1 19 . 1 1 114 114 GLU H H 114 7.426 7.426 7.654 -0.228 18152 13253 1 19 . 1 1 115 115 PRO HA H 115 4.725 4.725 4.927 -0.202 18152 13254 1 19 . 1 1 115 115 PRO CA C 115 62.352 62.352 63.061 -0.709 18152 13255 1 19 . 1 1 115 115 PRO CB C 115 30.706 30.706 31.198 -0.492 18152 13256 1 19 . 1 1 116 116 ILE N N 116 130.464 130.464 124.208 6.256 18152 13257 1 19 . 1 1 116 116 ILE HA H 116 4.785 4.785 4.988 -0.203 18152 13258 1 19 . 1 1 116 116 ILE C C 116 172.992 172.992 174.458 -1.466 18152 13259 1 19 . 1 1 116 116 ILE CA C 116 56.976 56.976 58.888 -1.912 18152 13260 1 19 . 1 1 116 116 ILE CB C 116 41.420 41.420 41.992 -0.572 18152 13261 1 19 . 1 1 116 116 ILE H H 116 7.830 7.830 8.337 -0.507 18152 13262 1 19 . 1 1 117 117 LEU N N 117 128.504 128.504 129.305 -0.801 18152 13263 1 19 . 1 1 117 117 LEU HA H 117 5.307 5.307 5.197 0.110 18152 13264 1 19 . 1 1 117 117 LEU C C 117 174.488 174.488 175.129 -0.641 18152 13265 1 19 . 1 1 117 117 LEU CA C 117 52.062 52.062 53.168 -1.106 18152 13266 1 19 . 1 1 117 117 LEU CB C 117 45.447 45.447 44.276 1.171 18152 13267 1 19 . 1 1 117 117 LEU H H 117 8.838 8.838 8.676 0.162 18152 13268 1 19 . 1 1 118 118 THR N N 118 125.436 125.436 123.449 1.987 18152 13269 1 19 . 1 1 118 118 THR HA H 118 5.417 5.417 4.889 0.528 18152 13270 1 19 . 1 1 118 118 THR C C 118 173.169 173.169 172.750 0.419 18152 13271 1 19 . 1 1 118 118 THR CA C 118 60.596 60.596 61.614 -1.018 18152 13272 1 19 . 1 1 118 118 THR CB C 118 68.558 68.558 70.405 -1.847 18152 13273 1 19 . 1 1 118 118 THR H H 118 8.938 8.938 9.163 -0.225 18152 13274 1 19 . 1 1 119 119 LEU N N 119 128.310 128.310 130.057 -1.747 18152 13275 1 19 . 1 1 119 119 LEU HA H 119 5.103 5.103 5.000 0.103 18152 13276 1 19 . 1 1 119 119 LEU C C 119 174.404 174.404 174.875 -0.471 18152 13277 1 19 . 1 1 119 119 LEU CA C 119 52.439 52.439 53.290 -0.851 18152 13278 1 19 . 1 1 119 119 LEU CB C 119 44.373 44.373 44.898 -0.525 18152 13279 1 19 . 1 1 119 119 LEU H H 119 9.280 9.280 8.621 0.659 18152 13280 1 19 . 1 1 120 120 THR N N 120 117.635 117.635 120.667 -3.032 18152 13281 1 19 . 1 1 120 120 THR HA H 120 5.590 5.590 5.638 -0.048 18152 13282 1 19 . 1 1 120 120 THR C C 120 172.735 172.735 174.039 -1.304 18152 13283 1 19 . 1 1 120 120 THR CA C 120 57.360 57.360 59.892 -2.532 18152 13284 1 19 . 1 1 120 120 THR CB C 120 70.136 70.136 70.256 -0.120 18152 13285 1 19 . 1 1 120 120 THR H H 120 8.640 8.640 9.256 -0.616 18152 13286 1 19 . 1 1 121 121 THR N N 121 116.149 116.149 121.456 -5.307 18152 13287 1 19 . 1 1 121 121 THR HA H 121 4.766 4.766 5.488 -0.722 18152 13288 1 19 . 1 1 121 121 THR C C 121 174.145 174.145 173.348 0.797 18152 13289 1 19 . 1 1 121 121 THR CA C 121 59.550 59.550 60.079 -0.529 18152 13290 1 19 . 1 1 121 121 THR CB C 121 71.701 71.701 71.477 0.224 18152 13291 1 19 . 1 1 121 121 THR H H 121 8.374 8.374 8.821 -0.447 18152 13292 1 19 . 1 1 123 123 TYR N N 123 121.847 121.847 120.198 1.649 18152 13293 1 19 . 1 1 123 123 TYR H H 123 7.461 7.461 8.565 -1.104 18152 13294 1 19 . 1 1 125 125 PHE N N 125 120.754 120.754 116.758 3.996 18152 13295 1 19 . 1 1 125 125 PHE HA H 125 4.420 4.420 4.268 0.152 18152 13296 1 19 . 1 1 125 125 PHE C C 125 176.083 176.083 175.576 0.507 18152 13297 1 19 . 1 1 125 125 PHE CA C 125 58.918 58.918 60.306 -1.389 18152 13298 1 19 . 1 1 125 125 PHE CB C 125 38.624 38.624 38.096 0.528 18152 13299 1 19 . 1 1 125 125 PHE H H 125 7.334 7.334 8.652 -1.318 18152 13300 1 19 . 1 1 126 126 ASP N N 126 114.938 114.938 116.610 -1.672 18152 13301 1 19 . 1 1 126 126 ASP HA H 126 4.548 4.548 4.269 0.279 18152 13302 1 19 . 1 1 126 126 ASP C C 126 175.285 175.285 176.672 -1.387 18152 13303 1 19 . 1 1 126 126 ASP CA C 126 51.974 51.974 52.825 -0.851 18152 13304 1 19 . 1 1 126 126 ASP CB C 126 39.454 39.454 38.529 0.925 18152 13305 1 19 . 1 1 126 126 ASP H H 126 8.179 8.179 7.569 0.610 18152 13306 1 19 . 1 1 127 127 TYR N N 127 121.170 121.170 121.453 -0.283 18152 13307 1 19 . 1 1 127 127 TYR HA H 127 3.947 3.947 4.039 -0.092 18152 13308 1 19 . 1 1 127 127 TYR C C 127 175.022 175.022 175.249 -0.227 18152 13309 1 19 . 1 1 127 127 TYR CA C 127 58.734 58.734 60.541 -1.808 18152 13310 1 19 . 1 1 127 127 TYR CB C 127 39.330 39.330 38.895 0.435 18152 13311 1 19 . 1 1 127 127 TYR H H 127 7.196 7.196 8.008 -0.812 18152 13312 1 19 . 1 1 128 128 ILE N N 128 127.293 127.293 118.621 8.672 18152 13313 1 19 . 1 1 128 128 ILE HA H 128 4.081 4.081 3.626 0.455 18152 13314 1 19 . 1 1 128 128 ILE C C 128 174.579 174.579 175.783 -1.204 18152 13315 1 19 . 1 1 128 128 ILE CA C 128 60.165 60.165 62.111 -1.946 18152 13316 1 19 . 1 1 128 128 ILE CB C 128 37.120 37.120 36.743 0.377 18152 13317 1 19 . 1 1 128 128 ILE H H 128 7.634 7.634 8.255 -0.621 18152 13318 1 19 . 1 1 129 129 GLY N N 129 114.862 114.862 114.561 0.301 18152 13319 1 19 . 1 1 129 129 GLY C C 129 172.992 172.992 172.130 0.862 18152 13320 1 19 . 1 1 129 129 GLY CA C 129 43.458 43.458 44.592 -1.134 18152 13321 1 19 . 1 1 129 129 GLY H H 129 8.150 8.150 7.673 0.477 18152 13322 1 19 . 1 1 130 130 ASP N N 130 122.165 122.165 124.613 -2.448 18152 13323 1 19 . 1 1 130 130 ASP HA H 130 4.639 4.639 4.524 0.115 18152 13324 1 19 . 1 1 130 130 ASP C C 130 174.579 174.579 174.646 -0.067 18152 13325 1 19 . 1 1 130 130 ASP CA C 130 53.344 53.344 52.136 1.208 18152 13326 1 19 . 1 1 130 130 ASP CB C 130 39.979 39.979 42.374 -2.395 18152 13327 1 19 . 1 1 130 130 ASP H H 130 8.541 8.541 7.895 0.646 18152 13328 1 19 . 1 1 131 131 ALA N N 131 129.087 129.087 127.494 1.593 18152 13329 1 19 . 1 1 131 131 ALA HA H 131 3.673 3.673 4.109 -0.436 18152 13330 1 19 . 1 1 131 131 ALA C C 131 176.791 176.791 176.866 -0.075 18152 13331 1 19 . 1 1 131 131 ALA CA C 131 50.186 50.186 51.176 -0.990 18152 13332 1 19 . 1 1 131 131 ALA CB C 131 17.692 17.692 18.470 -0.778 18152 13333 1 19 . 1 1 131 131 ALA H H 131 8.280 8.280 8.208 0.072 18152 13334 1 19 . 1 1 133 133 ASP N N 133 117.477 117.477 117.000 0.477 18152 13335 1 19 . 1 1 133 133 ASP HA H 133 5.512 5.512 5.009 0.503 18152 13336 1 19 . 1 1 133 133 ASP C C 133 175.988 175.988 174.786 1.202 18152 13337 1 19 . 1 1 133 133 ASP CA C 133 53.067 53.067 53.240 -0.173 18152 13338 1 19 . 1 1 133 133 ASP CB C 133 45.102 45.102 44.321 0.782 18152 13339 1 19 . 1 1 133 133 ASP H H 133 7.355 7.355 7.843 -0.488 18152 13340 1 19 . 1 1 134 134 ARG N N 134 120.986 120.986 121.545 -0.559 18152 13341 1 19 . 1 1 134 134 ARG HA H 134 4.871 4.871 4.740 0.131 18152 13342 1 19 . 1 1 134 134 ARG C C 134 172.288 172.288 174.949 -2.661 18152 13343 1 19 . 1 1 134 134 ARG CA C 134 53.958 53.958 54.558 -0.600 18152 13344 1 19 . 1 1 134 134 ARG CB C 134 33.787 33.787 33.846 -0.059 18152 13345 1 19 . 1 1 134 134 ARG H H 134 9.308 9.308 9.108 0.200 18152 13346 1 19 . 1 1 135 135 TYR N N 135 127.342 127.342 126.979 0.363 18152 13347 1 19 . 1 1 135 135 TYR HA H 135 4.037 4.037 4.425 -0.388 18152 13348 1 19 . 1 1 135 135 TYR C C 135 173.811 173.811 174.179 -0.368 18152 13349 1 19 . 1 1 135 135 TYR CA C 135 57.419 57.419 58.974 -1.555 18152 13350 1 19 . 1 1 135 135 TYR CB C 135 40.515 40.515 39.727 0.788 18152 13351 1 19 . 1 1 135 135 TYR H H 135 8.867 8.867 9.366 -0.499 18152 13352 1 19 . 1 1 136 136 ILE N N 136 128.458 128.458 127.303 1.155 18152 13353 1 19 . 1 1 136 136 ILE HA H 136 4.133 4.133 4.652 -0.519 18152 13354 1 19 . 1 1 136 136 ILE C C 136 173.610 173.610 174.180 -0.570 18152 13355 1 19 . 1 1 136 136 ILE CA C 136 58.968 58.968 58.248 0.720 18152 13356 1 19 . 1 1 136 136 ILE CB C 136 40.998 40.998 38.012 2.986 18152 13357 1 19 . 1 1 136 136 ILE H H 136 8.569 8.569 8.647 -0.078 18152 13358 1 19 . 1 1 137 137 ILE N N 137 123.623 123.623 127.996 -4.373 18152 13359 1 19 . 1 1 137 137 ILE HA H 137 4.330 4.330 4.096 0.234 18152 13360 1 19 . 1 1 137 137 ILE C C 137 173.524 173.524 174.215 -0.691 18152 13361 1 19 . 1 1 137 137 ILE CA C 137 59.873 59.873 59.562 0.311 18152 13362 1 19 . 1 1 137 137 ILE CB C 137 40.767 40.767 37.982 2.785 18152 13363 1 19 . 1 1 137 137 ILE H H 137 8.263 8.263 8.692 -0.429 18152 13364 1 19 . 1 1 138 138 GLU N N 138 127.009 127.009 128.934 -1.925 18152 13365 1 19 . 1 1 138 138 GLU HA H 138 5.219 5.219 4.879 0.340 18152 13366 1 19 . 1 1 138 138 GLU C C 138 175.383 175.383 174.925 0.458 18152 13367 1 19 . 1 1 138 138 GLU CA C 138 54.895 54.895 54.907 -0.012 18152 13368 1 19 . 1 1 138 138 GLU CB C 138 33.904 33.904 32.508 1.396 18152 13369 1 19 . 1 1 138 138 GLU H H 138 9.166 9.166 8.022 1.144 18152 13370 1 19 . 1 1 139 139 ALA N N 139 132.785 132.785 127.846 4.939 18152 13371 1 19 . 1 1 139 139 ALA HA H 139 5.231 5.231 5.248 -0.017 18152 13372 1 19 . 1 1 139 139 ALA C C 139 173.789 173.789 175.240 -1.451 18152 13373 1 19 . 1 1 139 139 ALA CA C 139 50.197 50.197 50.777 -0.580 18152 13374 1 19 . 1 1 139 139 ALA CB C 139 24.262 24.262 23.397 0.865 18152 13375 1 19 . 1 1 139 139 ALA H H 139 10.313 10.313 8.632 1.681 18152 13376 1 19 . 1 1 140 140 LYS N N 140 120.672 120.672 122.825 -2.153 18152 13377 1 19 . 1 1 140 140 LYS HA H 140 5.062 5.062 4.923 0.139 18152 13378 1 19 . 1 1 140 140 LYS C C 140 175.807 175.807 175.505 0.302 18152 13379 1 19 . 1 1 140 140 LYS CA C 140 54.250 54.250 53.581 0.668 18152 13380 1 19 . 1 1 140 140 LYS CB C 140 34.937 34.937 36.122 -1.185 18152 13381 1 19 . 1 1 140 140 LYS H H 140 8.507 8.507 8.745 -0.238 18152 13382 1 19 . 1 1 141 141 LEU N N 141 126.557 126.557 128.943 -2.386 18152 13383 1 19 . 1 1 141 141 LEU HA H 141 4.107 4.107 3.786 0.321 18152 13384 1 19 . 1 1 141 141 LEU C C 141 177.236 177.236 176.282 0.954 18152 13385 1 19 . 1 1 141 141 LEU CA C 141 56.169 56.169 55.018 1.151 18152 13386 1 19 . 1 1 141 141 LEU CB C 141 42.408 42.408 40.942 1.466 18152 13387 1 19 . 1 1 141 141 LEU H H 141 7.560 7.560 8.238 -0.678 18152 13388 1 19 . 1 1 142 142 THR N N 142 119.454 119.454 119.721 -0.267 18152 13389 1 19 . 1 1 142 142 THR HA H 142 4.522 4.522 4.379 0.143 18152 13390 1 19 . 1 1 142 142 THR C C 142 175.187 175.187 175.075 0.112 18152 13391 1 19 . 1 1 142 142 THR CA C 142 60.915 60.915 61.971 -1.056 18152 13392 1 19 . 1 1 142 142 THR CB C 142 69.490 69.490 69.996 -0.506 18152 13393 1 19 . 1 1 142 142 THR H H 142 9.562 9.562 8.755 0.807 18152 13394 1 19 . 1 1 143 143 GLY N N 143 109.946 109.946 109.988 -0.042 18152 13395 1 19 . 1 1 143 143 GLY C C 143 170.713 170.713 172.447 -1.734 18152 13396 1 19 . 1 1 143 143 GLY CA C 143 45.254 45.254 43.794 1.460 18152 13397 1 19 . 1 1 143 143 GLY H H 143 7.513 7.513 7.776 -0.263 18152 13398 1 19 . 1 1 144 144 SER N N 144 112.778 112.778 116.640 -3.862 18152 13399 1 19 . 1 1 144 144 SER HA H 144 5.059 5.059 4.798 0.261 18152 13400 1 19 . 1 1 144 144 SER C C 144 173.178 173.178 172.450 0.728 18152 13401 1 19 . 1 1 144 144 SER CA C 144 56.393 56.393 56.722 -0.329 18152 13402 1 19 . 1 1 144 144 SER CB C 144 65.587 65.587 65.445 0.142 18152 13403 1 19 . 1 1 144 144 SER H H 144 7.877 7.877 7.854 0.023 18152 13404 1 19 . 1 1 145 145 TYR N N 145 119.351 119.351 123.560 -4.209 18152 13405 1 19 . 1 1 145 145 TYR HA H 145 4.755 4.755 4.730 0.025 18152 13406 1 19 . 1 1 145 145 TYR C C 145 174.580 174.580 174.555 0.025 18152 13407 1 19 . 1 1 145 145 TYR CA C 145 56.413 56.413 56.800 -0.388 18152 13408 1 19 . 1 1 145 145 TYR CB C 145 40.096 40.096 42.220 -2.124 18152 13409 1 19 . 1 1 145 145 TYR H H 145 8.374 8.374 9.192 -0.818 18152 13410 1 19 . 1 1 146 146 SER N N 146 117.533 117.533 116.566 0.967 18152 13411 1 19 . 1 1 146 146 SER HA H 146 4.564 4.564 4.590 -0.026 18152 13412 1 19 . 1 1 146 146 SER CA C 146 58.000 58.000 57.096 0.904 18152 13413 1 19 . 1 1 146 146 SER CB C 146 63.905 63.905 65.246 -1.341 18152 13414 1 19 . 1 1 146 146 SER H H 146 8.502 8.502 8.356 0.146 18152 13415 1 20 . 1 1 7 7 GLN N N 7 122.485 122.485 120.098 2.387 18152 13416 1 20 . 1 1 7 7 GLN CA C 7 55.218 55.218 55.393 -0.175 18152 13417 1 20 . 1 1 7 7 GLN CB C 7 28.842 28.842 29.487 -0.645 18152 13418 1 20 . 1 1 7 7 GLN H H 7 8.175 8.175 8.369 -0.194 18152 13419 1 20 . 1 1 8 8 THR N N 8 115.244 115.244 113.446 1.798 18152 13420 1 20 . 1 1 8 8 THR HA H 8 4.189 4.189 3.959 0.230 18152 13421 1 20 . 1 1 8 8 THR C C 8 173.961 173.961 174.885 -0.924 18152 13422 1 20 . 1 1 8 8 THR CA C 8 61.486 61.486 63.558 -2.072 18152 13423 1 20 . 1 1 8 8 THR CB C 8 69.316 69.316 67.806 1.510 18152 13424 1 20 . 1 1 8 8 THR H H 8 8.027 8.027 7.933 0.094 18152 13425 1 20 . 1 1 9 9 GLU N N 9 123.496 123.496 121.313 2.183 18152 13426 1 20 . 1 1 9 9 GLU HA H 9 4.060 4.060 3.853 0.207 18152 13427 1 20 . 1 1 9 9 GLU C C 9 175.555 175.555 175.541 0.014 18152 13428 1 20 . 1 1 9 9 GLU CA C 9 55.868 55.868 58.972 -3.104 18152 13429 1 20 . 1 1 9 9 GLU CB C 9 29.611 29.611 28.610 1.000 18152 13430 1 20 . 1 1 9 9 GLU H H 9 8.225 8.225 8.574 -0.349 18152 13431 1 20 . 1 1 10 10 HIS N N 10 119.084 119.084 120.318 -1.234 18152 13432 1 20 . 1 1 10 10 HIS HA H 10 4.384 4.384 4.630 -0.246 18152 13433 1 20 . 1 1 10 10 HIS C C 10 173.742 173.742 174.431 -0.689 18152 13434 1 20 . 1 1 10 10 HIS CA C 10 53.932 53.932 54.990 -1.058 18152 13435 1 20 . 1 1 10 10 HIS CB C 10 28.922 28.922 29.864 -0.942 18152 13436 1 20 . 1 1 10 10 HIS H H 10 7.357 7.357 8.317 -0.960 18152 13437 1 20 . 1 1 11 11 LYS N N 11 121.509 121.509 122.400 -0.891 18152 13438 1 20 . 1 1 11 11 LYS HA H 11 4.469 4.469 4.298 0.172 18152 13439 1 20 . 1 1 11 11 LYS C C 11 176.210 176.210 176.227 -0.017 18152 13440 1 20 . 1 1 11 11 LYS CA C 11 54.245 54.245 56.053 -1.808 18152 13441 1 20 . 1 1 11 11 LYS CB C 11 33.548 33.548 33.286 0.262 18152 13442 1 20 . 1 1 11 11 LYS H H 11 8.409 8.409 7.897 0.512 18152 13443 1 20 . 1 1 12 12 GLU N N 12 123.025 123.025 124.937 -1.912 18152 13444 1 20 . 1 1 12 12 GLU HA H 12 4.240 4.240 4.420 -0.180 18152 13445 1 20 . 1 1 12 12 GLU C C 12 178.023 178.023 176.765 1.258 18152 13446 1 20 . 1 1 12 12 GLU CA C 12 58.350 58.350 57.221 1.129 18152 13447 1 20 . 1 1 12 12 GLU CB C 12 29.254 29.254 29.219 0.035 18152 13448 1 20 . 1 1 12 12 GLU H H 12 8.929 8.929 8.641 0.288 18152 13449 1 20 . 1 1 13 13 GLY N N 13 113.216 113.216 113.624 -0.408 18152 13450 1 20 . 1 1 13 13 GLY C C 13 174.141 174.141 173.371 0.770 18152 13451 1 20 . 1 1 13 13 GLY CA C 13 45.243 45.243 45.182 0.061 18152 13452 1 20 . 1 1 13 13 GLY H H 13 9.714 9.714 8.895 0.819 18152 13453 1 20 . 1 1 14 14 GLU N N 14 120.782 120.782 118.846 1.936 18152 13454 1 20 . 1 1 14 14 GLU HA H 14 4.472 4.472 4.836 -0.364 18152 13455 1 20 . 1 1 14 14 GLU C C 14 176.436 176.436 176.090 0.346 18152 13456 1 20 . 1 1 14 14 GLU CA C 14 55.641 55.641 53.682 1.959 18152 13457 1 20 . 1 1 14 14 GLU CB C 14 30.989 30.989 32.095 -1.106 18152 13458 1 20 . 1 1 14 14 GLU H H 14 8.289 8.289 7.857 0.432 18152 13459 1 20 . 1 1 15 15 LYS N N 15 125.126 125.126 127.552 -2.426 18152 13460 1 20 . 1 1 15 15 LYS HA H 15 4.100 4.100 3.684 0.416 18152 13461 1 20 . 1 1 15 15 LYS C C 15 176.970 176.970 176.335 0.635 18152 13462 1 20 . 1 1 15 15 LYS CA C 15 57.098 57.098 57.475 -0.377 18152 13463 1 20 . 1 1 15 15 LYS CB C 15 31.680 31.680 30.775 0.905 18152 13464 1 20 . 1 1 15 15 LYS H H 15 8.978 8.978 9.103 -0.125 18152 13465 1 20 . 1 1 16 16 VAL N N 16 119.214 119.214 121.466 -2.252 18152 13466 1 20 . 1 1 16 16 VAL HA H 16 4.572 4.572 4.169 0.403 18152 13467 1 20 . 1 1 16 16 VAL C C 16 174.148 174.148 174.817 -0.669 18152 13468 1 20 . 1 1 16 16 VAL CA C 16 60.141 60.141 62.092 -1.951 18152 13469 1 20 . 1 1 16 16 VAL CB C 16 34.881 34.881 32.727 2.154 18152 13470 1 20 . 1 1 16 16 VAL H H 16 8.976 8.976 7.902 1.074 18152 13471 1 20 . 1 1 17 17 ALA N N 17 121.368 121.368 120.000 1.368 18152 13472 1 20 . 1 1 17 17 ALA HA H 17 5.186 5.186 5.338 -0.152 18152 13473 1 20 . 1 1 17 17 ALA C C 17 174.664 174.664 174.878 -0.214 18152 13474 1 20 . 1 1 17 17 ALA CA C 17 51.098 51.098 50.017 1.081 18152 13475 1 20 . 1 1 17 17 ALA CB C 17 22.853 22.853 22.523 0.330 18152 13476 1 20 . 1 1 17 17 ALA H H 17 8.069 8.069 7.597 0.472 18152 13477 1 20 . 1 1 18 18 MET N N 18 116.475 116.475 120.315 -3.840 18152 13478 1 20 . 1 1 18 18 MET HA H 18 5.303 5.303 5.048 0.255 18152 13479 1 20 . 1 1 18 18 MET C C 18 174.413 174.413 174.112 0.301 18152 13480 1 20 . 1 1 18 18 MET CA C 18 53.607 53.607 54.391 -0.784 18152 13481 1 20 . 1 1 18 18 MET CB C 18 35.038 35.038 36.874 -1.836 18152 13482 1 20 . 1 1 18 18 MET H H 18 8.142 8.142 8.345 -0.203 18152 13483 1 20 . 1 1 19 19 LEU N N 19 126.244 126.244 127.601 -1.357 18152 13484 1 20 . 1 1 19 19 LEU HA H 19 5.268 5.268 5.093 0.175 18152 13485 1 20 . 1 1 19 19 LEU C C 19 173.617 173.617 174.307 -0.690 18152 13486 1 20 . 1 1 19 19 LEU CA C 19 52.851 52.851 53.787 -0.936 18152 13487 1 20 . 1 1 19 19 LEU CB C 19 44.705 44.705 44.428 0.277 18152 13488 1 20 . 1 1 19 19 LEU H H 19 9.369 9.369 9.104 0.265 18152 13489 1 20 . 1 1 20 20 ASN N N 20 126.596 126.596 125.877 0.719 18152 13490 1 20 . 1 1 20 20 ASN HA H 20 5.340 5.340 5.317 0.023 18152 13491 1 20 . 1 1 20 20 ASN C C 20 174.316 174.316 173.550 0.766 18152 13492 1 20 . 1 1 20 20 ASN CA C 20 51.344 51.344 52.144 -0.800 18152 13493 1 20 . 1 1 20 20 ASN CB C 20 40.972 40.972 42.284 -1.312 18152 13494 1 20 . 1 1 20 20 ASN H H 20 10.032 10.032 9.455 0.577 18152 13495 1 20 . 1 1 21 21 ILE N N 21 123.799 123.799 124.233 -0.434 18152 13496 1 20 . 1 1 21 21 ILE HA H 21 4.829 4.829 4.938 -0.109 18152 13497 1 20 . 1 1 21 21 ILE C C 21 174.409 174.409 174.655 -0.246 18152 13498 1 20 . 1 1 21 21 ILE CA C 21 58.243 58.243 57.930 0.313 18152 13499 1 20 . 1 1 21 21 ILE CB C 21 37.477 37.477 39.524 -2.047 18152 13500 1 20 . 1 1 21 21 ILE H H 21 8.614 8.614 9.232 -0.618 18152 13501 1 20 . 1 1 22 22 PRO HA H 22 4.178 4.178 4.356 -0.178 18152 13502 1 20 . 1 1 22 22 PRO CA C 22 65.629 65.629 65.292 0.337 18152 13503 1 20 . 1 1 22 22 PRO CB C 22 31.806 31.806 31.877 -0.071 18152 13504 1 20 . 1 1 23 23 LYS N N 23 118.170 118.170 120.775 -2.605 18152 13505 1 20 . 1 1 23 23 LYS HA H 23 3.943 3.943 4.149 -0.206 18152 13506 1 20 . 1 1 23 23 LYS C C 23 177.231 177.231 177.152 0.079 18152 13507 1 20 . 1 1 23 23 LYS CA C 23 58.643 58.643 58.536 0.107 18152 13508 1 20 . 1 1 23 23 LYS CB C 23 33.171 33.171 31.941 1.230 18152 13509 1 20 . 1 1 23 23 LYS H H 23 9.365 9.365 8.555 0.810 18152 13510 1 20 . 1 1 24 24 LEU N N 24 111.984 111.984 117.924 -5.940 18152 13511 1 20 . 1 1 24 24 LEU HA H 24 4.319 4.319 4.479 -0.160 18152 13512 1 20 . 1 1 24 24 LEU C C 24 175.562 175.562 176.190 -0.628 18152 13513 1 20 . 1 1 24 24 LEU CA C 24 52.965 52.965 54.127 -1.162 18152 13514 1 20 . 1 1 24 24 LEU CB C 24 42.473 42.473 41.193 1.280 18152 13515 1 20 . 1 1 24 24 LEU H H 24 6.919 6.919 7.935 -1.016 18152 13516 1 20 . 1 1 25 25 LYS N N 25 115.814 115.814 118.512 -2.698 18152 13517 1 20 . 1 1 25 25 LYS HA H 25 3.849 3.849 4.024 -0.175 18152 13518 1 20 . 1 1 25 25 LYS C C 25 175.297 175.297 175.533 -0.236 18152 13519 1 20 . 1 1 25 25 LYS CA C 25 56.598 56.598 57.359 -0.761 18152 13520 1 20 . 1 1 25 25 LYS CB C 25 28.918 28.918 29.793 -0.875 18152 13521 1 20 . 1 1 25 25 LYS H H 25 7.912 7.912 7.560 0.352 18152 13522 1 20 . 1 1 26 26 LYS N N 26 115.145 115.145 117.413 -2.268 18152 13523 1 20 . 1 1 26 26 LYS HA H 26 4.559 4.559 4.487 0.072 18152 13524 1 20 . 1 1 26 26 LYS C C 26 173.961 173.961 173.620 0.341 18152 13525 1 20 . 1 1 26 26 LYS CA C 26 53.788 53.788 54.870 -1.082 18152 13526 1 20 . 1 1 26 26 LYS CB C 26 37.483 37.483 36.460 1.023 18152 13527 1 20 . 1 1 26 26 LYS H H 26 6.765 6.765 8.515 -1.750 18152 13528 1 20 . 1 1 27 27 LYS N N 27 119.758 119.758 117.883 1.875 18152 13529 1 20 . 1 1 27 27 LYS HA H 27 5.452 5.452 5.129 0.323 18152 13530 1 20 . 1 1 27 27 LYS C C 27 175.482 175.482 174.566 0.916 18152 13531 1 20 . 1 1 27 27 LYS CA C 27 53.883 53.883 54.797 -0.914 18152 13532 1 20 . 1 1 27 27 LYS CB C 27 35.855 35.855 36.097 -0.242 18152 13533 1 20 . 1 1 27 27 LYS H H 27 7.885 7.885 7.598 0.287 18152 13534 1 20 . 1 1 28 28 PHE N N 28 119.077 119.077 119.006 0.071 18152 13535 1 20 . 1 1 28 28 PHE HA H 28 4.871 4.871 4.818 0.053 18152 13536 1 20 . 1 1 28 28 PHE C C 28 175.477 175.477 174.682 0.795 18152 13537 1 20 . 1 1 28 28 PHE CA C 28 56.100 56.100 56.625 -0.525 18152 13538 1 20 . 1 1 28 28 PHE CB C 28 42.734 42.734 43.387 -0.653 18152 13539 1 20 . 1 1 28 28 PHE H H 28 9.397 9.397 9.270 0.127 18152 13540 1 20 . 1 1 29 29 SER N N 29 121.189 121.189 117.485 3.704 18152 13541 1 20 . 1 1 29 29 SER HA H 29 4.848 4.848 4.580 0.268 18152 13542 1 20 . 1 1 29 29 SER C C 29 172.010 172.010 173.413 -1.403 18152 13543 1 20 . 1 1 29 29 SER CA C 29 59.961 59.961 58.242 1.719 18152 13544 1 20 . 1 1 29 29 SER CB C 29 64.433 64.433 63.453 0.980 18152 13545 1 20 . 1 1 29 29 SER H H 29 9.010 9.010 8.768 0.242 18152 13546 1 20 . 1 1 30 30 ILE N N 30 120.881 120.881 127.637 -6.756 18152 13547 1 20 . 1 1 30 30 ILE HA H 30 4.942 4.942 4.194 0.748 18152 13548 1 20 . 1 1 30 30 ILE C C 30 174.874 174.874 174.367 0.507 18152 13549 1 20 . 1 1 30 30 ILE CA C 30 57.775 57.775 59.989 -2.215 18152 13550 1 20 . 1 1 30 30 ILE CB C 30 38.001 38.001 38.302 -0.301 18152 13551 1 20 . 1 1 30 30 ILE H H 30 8.084 8.084 8.264 -0.180 18152 13552 1 20 . 1 1 31 31 TYR N N 31 127.573 127.573 126.240 1.333 18152 13553 1 20 . 1 1 31 31 TYR HA H 31 5.299 5.299 4.934 0.365 18152 13554 1 20 . 1 1 31 31 TYR C C 31 174.806 174.806 175.771 -0.965 18152 13555 1 20 . 1 1 31 31 TYR CA C 31 56.120 56.120 56.570 -0.450 18152 13556 1 20 . 1 1 31 31 TYR CB C 31 41.139 41.139 40.862 0.277 18152 13557 1 20 . 1 1 31 31 TYR H H 31 9.174 9.174 8.343 0.831 18152 13558 1 20 . 1 1 32 32 TRP N N 32 121.993 121.993 124.098 -2.105 18152 13559 1 20 . 1 1 32 32 TRP HA H 32 4.583 4.583 4.441 0.142 18152 13560 1 20 . 1 1 32 32 TRP C C 32 175.194 175.194 175.994 -0.800 18152 13561 1 20 . 1 1 32 32 TRP CA C 32 57.396 57.396 59.194 -1.798 18152 13562 1 20 . 1 1 32 32 TRP CB C 32 29.670 29.670 30.443 -0.773 18152 13563 1 20 . 1 1 32 32 TRP H H 32 9.007 9.007 8.681 0.326 18152 13564 1 20 . 1 1 33 33 GLY N N 33 120.470 120.470 113.457 7.013 18152 13565 1 20 . 1 1 33 33 GLY C C 33 171.936 171.936 171.915 0.021 18152 13566 1 20 . 1 1 33 33 GLY CA C 33 44.532 44.532 44.272 0.260 18152 13567 1 20 . 1 1 33 33 GLY H H 33 7.758 7.758 7.668 0.090 18152 13568 1 20 . 1 1 34 34 ALA N N 34 120.239 120.239 125.686 -5.447 18152 13569 1 20 . 1 1 34 34 ALA HA H 34 4.447 4.447 4.533 -0.086 18152 13570 1 20 . 1 1 34 34 ALA C C 34 176.174 176.174 176.047 0.127 18152 13571 1 20 . 1 1 34 34 ALA CA C 34 49.913 49.913 51.307 -1.394 18152 13572 1 20 . 1 1 34 34 ALA CB C 34 18.955 18.955 20.561 -1.606 18152 13573 1 20 . 1 1 34 34 ALA H H 34 7.883 7.883 8.059 -0.176 18152 13574 1 20 . 1 1 35 35 ASP N N 35 118.828 118.828 126.009 -7.181 18152 13575 1 20 . 1 1 35 35 ASP HA H 35 4.450 4.450 4.750 -0.300 18152 13576 1 20 . 1 1 35 35 ASP C C 35 175.990 175.990 176.676 -0.686 18152 13577 1 20 . 1 1 35 35 ASP CA C 35 53.030 53.030 53.893 -0.863 18152 13578 1 20 . 1 1 35 35 ASP CB C 35 41.508 41.508 41.678 -0.170 18152 13579 1 20 . 1 1 35 35 ASP H H 35 7.944 7.944 8.488 -0.544 18152 13580 1 20 . 1 1 36 36 ASP N N 36 121.051 121.051 123.881 -2.830 18152 13581 1 20 . 1 1 36 36 ASP HA H 36 4.335 4.335 4.459 -0.124 18152 13582 1 20 . 1 1 36 36 ASP C C 36 177.296 177.296 177.162 0.134 18152 13583 1 20 . 1 1 36 36 ASP CA C 36 55.183 55.183 56.066 -0.883 18152 13584 1 20 . 1 1 36 36 ASP CB C 36 39.837 39.837 40.792 -0.955 18152 13585 1 20 . 1 1 36 36 ASP H H 36 8.509 8.509 8.758 -0.249 18152 13586 1 20 . 1 1 37 37 ALA N N 37 119.568 119.568 122.291 -2.723 18152 13587 1 20 . 1 1 37 37 ALA HA H 37 4.060 4.060 4.210 -0.150 18152 13588 1 20 . 1 1 37 37 ALA C C 37 179.598 179.598 177.388 2.210 18152 13589 1 20 . 1 1 37 37 ALA CA C 37 53.967 53.967 53.367 0.600 18152 13590 1 20 . 1 1 37 37 ALA CB C 37 18.009 18.009 18.578 -0.569 18152 13591 1 20 . 1 1 37 37 ALA H H 37 8.169 8.169 8.209 -0.040 18152 13592 1 20 . 1 1 38 38 THR HA H 38 3.850 3.850 4.179 -0.329 18152 13593 1 20 . 1 1 38 38 THR CA C 38 68.437 68.437 62.905 5.532 18152 13594 1 20 . 1 1 38 38 THR CB C 38 72.916 72.916 69.329 3.587 18152 13595 1 20 . 1 1 38 38 THR H H 38 7.621 7.621 7.642 -0.021 18152 13596 1 20 . 1 1 42 42 GLY N N 42 106.310 106.310 109.134 -2.824 18152 13597 1 20 . 1 1 42 42 GLY CA C 42 46.480 46.480 45.512 0.968 18152 13598 1 20 . 1 1 43 43 VAL N N 43 121.961 121.961 119.560 2.401 18152 13599 1 20 . 1 1 43 43 VAL HA H 43 4.481 4.481 5.303 -0.822 18152 13600 1 20 . 1 1 43 43 VAL C C 43 174.308 174.308 174.976 -0.668 18152 13601 1 20 . 1 1 43 43 VAL CA C 43 61.079 61.079 59.359 1.720 18152 13602 1 20 . 1 1 43 43 VAL CB C 43 32.911 32.911 32.780 0.131 18152 13603 1 20 . 1 1 43 43 VAL H H 43 8.247 8.247 7.666 0.581 18152 13604 1 20 . 1 1 44 44 GLY N N 44 114.325 114.325 113.397 0.928 18152 13605 1 20 . 1 1 44 44 GLY C C 44 172.465 172.465 171.731 0.734 18152 13606 1 20 . 1 1 44 44 GLY CA C 44 43.458 43.458 44.737 -1.279 18152 13607 1 20 . 1 1 44 44 GLY H H 44 9.063 9.063 8.157 0.906 18152 13608 1 20 . 1 1 45 45 MET N N 45 125.031 125.031 120.244 4.787 18152 13609 1 20 . 1 1 45 45 MET HA H 45 4.742 4.742 5.216 -0.474 18152 13610 1 20 . 1 1 45 45 MET C C 45 173.873 173.873 174.715 -0.842 18152 13611 1 20 . 1 1 45 45 MET CA C 45 54.084 54.084 54.485 -0.401 18152 13612 1 20 . 1 1 45 45 MET CB C 45 34.548 34.548 35.756 -1.208 18152 13613 1 20 . 1 1 45 45 MET H H 45 8.966 8.966 8.974 -0.008 18152 13614 1 20 . 1 1 46 46 PHE N N 46 127.637 127.637 127.674 -0.037 18152 13615 1 20 . 1 1 46 46 PHE HA H 46 3.611 3.611 4.240 -0.629 18152 13616 1 20 . 1 1 46 46 PHE C C 46 175.023 175.023 174.012 1.011 18152 13617 1 20 . 1 1 46 46 PHE CA C 46 59.286 59.286 58.716 0.570 18152 13618 1 20 . 1 1 46 46 PHE CB C 46 40.644 40.644 40.060 0.584 18152 13619 1 20 . 1 1 46 46 PHE H H 46 8.790 8.790 8.470 0.320 18152 13620 1 20 . 1 1 47 47 VAL N N 47 130.695 130.695 127.976 2.719 18152 13621 1 20 . 1 1 47 47 VAL HA H 47 3.663 3.663 3.878 -0.215 18152 13622 1 20 . 1 1 47 47 VAL C C 47 174.235 174.235 173.644 0.591 18152 13623 1 20 . 1 1 47 47 VAL CA C 47 61.455 61.455 60.094 1.361 18152 13624 1 20 . 1 1 47 47 VAL CB C 47 32.002 32.002 32.874 -0.872 18152 13625 1 20 . 1 1 47 47 VAL H H 47 7.942 7.942 7.215 0.727 18152 13626 1 20 . 1 1 48 48 SER N N 48 120.391 120.391 123.311 -2.920 18152 13627 1 20 . 1 1 48 48 SER HA H 48 4.626 4.626 4.477 0.149 18152 13628 1 20 . 1 1 48 48 SER C C 48 173.167 173.167 173.942 -0.775 18152 13629 1 20 . 1 1 48 48 SER CA C 48 57.384 57.384 56.963 0.421 18152 13630 1 20 . 1 1 48 48 SER CB C 48 65.720 65.720 64.640 1.080 18152 13631 1 20 . 1 1 48 48 SER H H 48 7.971 7.971 8.604 -0.633 18152 13632 1 20 . 1 1 49 49 ASP N N 49 117.498 117.498 121.098 -3.600 18152 13633 1 20 . 1 1 49 49 ASP HA H 49 4.603 4.603 4.583 0.020 18152 13634 1 20 . 1 1 49 49 ASP C C 49 174.539 174.539 176.170 -1.631 18152 13635 1 20 . 1 1 49 49 ASP CA C 49 55.222 55.222 55.581 -0.359 18152 13636 1 20 . 1 1 49 49 ASP CB C 49 40.206 40.206 40.735 -0.529 18152 13637 1 20 . 1 1 49 49 ASP H H 49 8.701 8.701 8.762 -0.061 18152 13638 1 20 . 1 1 50 50 VAL N N 50 109.465 109.465 109.961 -0.496 18152 13639 1 20 . 1 1 50 50 VAL HA H 50 4.455 4.455 4.536 -0.081 18152 13640 1 20 . 1 1 50 50 VAL C C 50 174.487 174.487 175.272 -0.785 18152 13641 1 20 . 1 1 50 50 VAL CA C 50 60.840 60.840 62.241 -1.401 18152 13642 1 20 . 1 1 50 50 VAL CB C 50 32.067 32.067 32.759 -0.692 18152 13643 1 20 . 1 1 50 50 VAL H H 50 7.770 7.770 7.190 0.580 18152 13644 1 20 . 1 1 51 51 THR N N 51 110.572 110.572 112.901 -2.329 18152 13645 1 20 . 1 1 51 51 THR HA H 51 5.293 5.293 4.844 0.449 18152 13646 1 20 . 1 1 51 51 THR C C 51 174.591 174.591 174.224 0.367 18152 13647 1 20 . 1 1 51 51 THR CA C 51 58.487 58.487 60.300 -1.813 18152 13648 1 20 . 1 1 51 51 THR CB C 51 71.674 71.674 70.543 1.131 18152 13649 1 20 . 1 1 51 51 THR H H 51 7.095 7.095 7.486 -0.391 18152 13650 1 20 . 1 1 52 52 THR N N 52 109.706 109.706 118.165 -8.459 18152 13651 1 20 . 1 1 52 52 THR HA H 52 4.988 4.988 4.855 0.133 18152 13652 1 20 . 1 1 52 52 THR C C 52 177.060 177.060 173.210 3.850 18152 13653 1 20 . 1 1 52 52 THR CA C 52 59.777 59.777 60.759 -0.982 18152 13654 1 20 . 1 1 52 52 THR CB C 52 72.911 72.911 72.130 0.781 18152 13655 1 20 . 1 1 52 52 THR H H 52 8.836 8.836 8.970 -0.134 18152 13656 1 20 . 1 1 53 53 THR N N 53 113.970 113.970 115.821 -1.851 18152 13657 1 20 . 1 1 53 53 THR HA H 53 4.601 4.601 5.013 -0.412 18152 13658 1 20 . 1 1 53 53 THR C C 53 176.085 176.085 173.527 2.558 18152 13659 1 20 . 1 1 53 53 THR CA C 53 60.920 60.920 58.475 2.445 18152 13660 1 20 . 1 1 53 53 THR CB C 53 67.192 67.192 69.891 -2.699 18152 13661 1 20 . 1 1 53 53 THR H H 53 8.857 8.857 8.282 0.575 18152 13662 1 20 . 1 1 54 54 PRO HA H 54 4.023 4.023 4.415 -0.392 18152 13663 1 20 . 1 1 54 54 PRO CA C 54 64.658 64.658 62.620 2.038 18152 13664 1 20 . 1 1 54 54 PRO CB C 54 29.665 29.665 30.043 -0.378 18152 13665 1 20 . 1 1 55 55 SER N N 55 105.932 105.932 117.081 -11.149 18152 13666 1 20 . 1 1 55 55 SER HA H 55 4.448 4.448 4.274 0.174 18152 13667 1 20 . 1 1 55 55 SER C C 55 176.253 176.253 173.489 2.764 18152 13668 1 20 . 1 1 55 55 SER CA C 55 58.086 58.086 57.211 0.875 18152 13669 1 20 . 1 1 55 55 SER CB C 55 62.950 62.950 63.922 -0.972 18152 13670 1 20 . 1 1 55 55 SER H H 55 6.879 6.879 7.683 -0.804 18152 13671 1 20 . 1 1 56 56 GLY N N 56 109.826 109.826 109.133 0.693 18152 13672 1 20 . 1 1 56 56 GLY C C 56 175.832 175.832 174.161 1.671 18152 13673 1 20 . 1 1 56 56 GLY CA C 56 45.213 45.213 45.041 0.172 18152 13674 1 20 . 1 1 56 56 GLY H H 56 7.733 7.733 7.530 0.203 18152 13675 1 20 . 1 1 57 57 GLY N N 57 105.805 105.805 110.523 -4.718 18152 13676 1 20 . 1 1 57 57 GLY C C 57 172.905 172.905 173.443 -0.538 18152 13677 1 20 . 1 1 57 57 GLY CA C 57 46.480 46.480 45.536 0.944 18152 13678 1 20 . 1 1 57 57 GLY H H 57 7.481 7.481 8.637 -1.156 18152 13679 1 20 . 1 1 58 58 GLY N N 58 109.086 109.086 109.794 -0.708 18152 13680 1 20 . 1 1 58 58 GLY C C 58 172.807 172.807 172.676 0.131 18152 13681 1 20 . 1 1 58 58 GLY CA C 58 43.642 43.642 44.528 -0.886 18152 13682 1 20 . 1 1 58 58 GLY H H 58 7.549 7.549 7.888 -0.339 18152 13683 1 20 . 1 1 59 59 HIS N N 59 127.776 127.776 121.766 6.010 18152 13684 1 20 . 1 1 59 59 HIS HA H 59 5.162 5.162 4.938 0.224 18152 13685 1 20 . 1 1 59 59 HIS C C 59 174.930 174.930 174.237 0.693 18152 13686 1 20 . 1 1 59 59 HIS CA C 59 52.820 52.820 55.069 -2.249 18152 13687 1 20 . 1 1 59 59 HIS CB C 59 30.250 30.250 30.384 -0.134 18152 13688 1 20 . 1 1 59 59 HIS H H 59 9.517 9.517 8.867 0.650 18152 13689 1 20 . 1 1 60 60 THR N N 60 127.768 127.768 125.068 2.700 18152 13690 1 20 . 1 1 60 60 THR HA H 60 4.870 4.870 4.964 -0.094 18152 13691 1 20 . 1 1 60 60 THR C C 60 171.847 171.847 173.189 -1.342 18152 13692 1 20 . 1 1 60 60 THR CA C 60 61.358 61.358 61.972 -0.614 18152 13693 1 20 . 1 1 60 60 THR CB C 60 69.821 69.821 70.192 -0.371 18152 13694 1 20 . 1 1 60 60 THR H H 60 9.769 9.769 9.203 0.566 18152 13695 1 20 . 1 1 61 61 VAL N N 61 126.493 126.493 128.292 -1.799 18152 13696 1 20 . 1 1 61 61 VAL HA H 61 4.641 4.641 4.761 -0.120 18152 13697 1 20 . 1 1 61 61 VAL C C 61 173.794 173.794 174.451 -0.657 18152 13698 1 20 . 1 1 61 61 VAL CA C 61 59.808 59.808 61.482 -1.674 18152 13699 1 20 . 1 1 61 61 VAL CB C 61 33.334 33.334 33.866 -0.532 18152 13700 1 20 . 1 1 61 61 VAL H H 61 8.534 8.534 8.793 -0.259 18152 13701 1 20 . 1 1 62 62 LEU N N 62 126.342 126.342 128.192 -1.850 18152 13702 1 20 . 1 1 62 62 LEU HA H 62 5.345 5.345 5.069 0.276 18152 13703 1 20 . 1 1 62 62 LEU C C 62 175.554 175.554 175.353 0.201 18152 13704 1 20 . 1 1 62 62 LEU CA C 62 51.143 51.143 53.352 -2.209 18152 13705 1 20 . 1 1 62 62 LEU CB C 62 43.344 43.344 44.802 -1.458 18152 13706 1 20 . 1 1 62 62 LEU H H 62 9.284 9.284 9.415 -0.131 18152 13707 1 20 . 1 1 63 63 SER N N 63 116.370 116.370 116.702 -0.332 18152 13708 1 20 . 1 1 63 63 SER HA H 63 5.328 5.328 5.779 -0.451 18152 13709 1 20 . 1 1 63 63 SER C C 63 174.576 174.576 173.589 0.987 18152 13710 1 20 . 1 1 63 63 SER CA C 63 54.893 54.893 56.394 -1.501 18152 13711 1 20 . 1 1 63 63 SER CB C 63 64.901 64.901 65.358 -0.457 18152 13712 1 20 . 1 1 63 63 SER H H 63 9.117 9.117 8.600 0.517 18152 13713 1 20 . 1 1 64 64 GLY N N 64 111.783 111.783 111.361 0.422 18152 13714 1 20 . 1 1 64 64 GLY C C 64 173.058 173.058 171.814 1.244 18152 13715 1 20 . 1 1 64 64 GLY CA C 64 45.547 45.547 45.107 0.440 18152 13716 1 20 . 1 1 64 64 GLY H H 64 8.723 8.723 8.477 0.246 18152 13717 1 20 . 1 1 74 74 GLY C C 74 173.703 173.703 175.798 -2.095 18152 13718 1 20 . 1 1 74 74 GLY CA C 74 45.507 45.507 45.514 -0.007 18152 13719 1 20 . 1 1 75 75 GLN N N 75 116.093 116.093 119.127 -3.034 18152 13720 1 20 . 1 1 75 75 GLN HA H 75 4.229 4.229 4.345 -0.116 18152 13721 1 20 . 1 1 75 75 GLN C C 75 177.319 177.319 176.466 0.853 18152 13722 1 20 . 1 1 75 75 GLN CA C 75 56.016 56.016 56.994 -0.978 18152 13723 1 20 . 1 1 75 75 GLN CB C 75 29.310 29.310 30.297 -0.987 18152 13724 1 20 . 1 1 75 75 GLN H H 75 7.598 7.598 8.068 -0.470 18152 13725 1 20 . 1 1 76 76 LEU N N 76 117.894 117.894 116.752 1.142 18152 13726 1 20 . 1 1 76 76 LEU HA H 76 4.373 4.373 4.727 -0.354 18152 13727 1 20 . 1 1 76 76 LEU C C 76 175.639 175.639 174.701 0.938 18152 13728 1 20 . 1 1 76 76 LEU CA C 76 54.578 54.578 54.492 0.085 18152 13729 1 20 . 1 1 76 76 LEU CB C 76 41.720 41.720 41.232 0.488 18152 13730 1 20 . 1 1 76 76 LEU H H 76 7.285 7.285 8.118 -0.833 18152 13731 1 20 . 1 1 77 77 LYS N N 77 122.287 122.287 120.851 1.436 18152 13732 1 20 . 1 1 77 77 LYS HA H 77 4.545 4.545 4.374 0.171 18152 13733 1 20 . 1 1 77 77 LYS C C 77 175.553 175.553 176.001 -0.448 18152 13734 1 20 . 1 1 77 77 LYS CA C 77 53.336 53.336 56.700 -3.364 18152 13735 1 20 . 1 1 77 77 LYS CB C 77 36.380 36.380 34.538 1.842 18152 13736 1 20 . 1 1 77 77 LYS H H 77 9.513 9.513 7.820 1.693 18152 13737 1 20 . 1 1 78 78 GLU N N 78 118.949 118.949 122.226 -3.277 18152 13738 1 20 . 1 1 78 78 GLU HA H 78 3.523 3.523 4.320 -0.797 18152 13739 1 20 . 1 1 78 78 GLU C C 78 177.053 177.053 177.039 0.014 18152 13740 1 20 . 1 1 78 78 GLU CA C 78 59.205 59.205 59.081 0.124 18152 13741 1 20 . 1 1 78 78 GLU CB C 78 28.284 28.284 29.634 -1.351 18152 13742 1 20 . 1 1 78 78 GLU H H 78 8.900 8.900 9.071 -0.171 18152 13743 1 20 . 1 1 79 79 LYS N N 79 114.843 114.843 114.588 0.255 18152 13744 1 20 . 1 1 79 79 LYS HA H 79 3.751 3.751 4.369 -0.618 18152 13745 1 20 . 1 1 79 79 LYS C C 79 176.434 176.434 176.763 -0.329 18152 13746 1 20 . 1 1 79 79 LYS CA C 79 59.231 59.231 56.322 2.909 18152 13747 1 20 . 1 1 79 79 LYS CB C 79 29.657 29.657 31.761 -2.104 18152 13748 1 20 . 1 1 79 79 LYS H H 79 8.909 8.909 8.000 0.909 18152 13749 1 20 . 1 1 80 80 ASP N N 80 119.664 119.664 121.782 -2.118 18152 13750 1 20 . 1 1 80 80 ASP HA H 80 4.946 4.946 4.656 0.290 18152 13751 1 20 . 1 1 80 80 ASP C C 80 175.886 175.886 174.645 1.241 18152 13752 1 20 . 1 1 80 80 ASP CA C 80 55.661 55.661 55.355 0.306 18152 13753 1 20 . 1 1 80 80 ASP CB C 80 41.782 41.782 42.235 -0.453 18152 13754 1 20 . 1 1 80 80 ASP H H 80 8.052 8.052 7.672 0.380 18152 13755 1 20 . 1 1 81 81 THR N N 81 111.597 111.597 114.509 -2.912 18152 13756 1 20 . 1 1 81 81 THR HA H 81 5.321 5.321 4.962 0.359 18152 13757 1 20 . 1 1 81 81 THR C C 81 174.221 174.221 173.804 0.417 18152 13758 1 20 . 1 1 81 81 THR CA C 81 61.103 61.103 61.237 -0.134 18152 13759 1 20 . 1 1 81 81 THR CB C 81 71.264 71.264 71.084 0.180 18152 13760 1 20 . 1 1 81 81 THR H H 81 8.083 8.083 8.319 -0.236 18152 13761 1 20 . 1 1 82 82 LEU N N 82 120.358 120.358 126.839 -6.481 18152 13762 1 20 . 1 1 82 82 LEU HA H 82 4.836 4.836 4.785 0.051 18152 13763 1 20 . 1 1 82 82 LEU C C 82 174.850 174.850 175.874 -1.024 18152 13764 1 20 . 1 1 82 82 LEU CA C 82 53.721 53.721 54.160 -0.438 18152 13765 1 20 . 1 1 82 82 LEU CB C 82 45.655 45.655 43.195 2.460 18152 13766 1 20 . 1 1 82 82 LEU H H 82 8.684 8.684 8.832 -0.148 18152 13767 1 20 . 1 1 83 83 VAL N N 83 121.834 121.834 123.948 -2.114 18152 13768 1 20 . 1 1 83 83 VAL HA H 83 5.269 5.269 5.352 -0.083 18152 13769 1 20 . 1 1 83 83 VAL C C 83 174.766 174.766 175.154 -0.388 18152 13770 1 20 . 1 1 83 83 VAL CA C 83 61.157 61.157 61.149 0.008 18152 13771 1 20 . 1 1 83 83 VAL CB C 83 34.923 34.923 33.433 1.490 18152 13772 1 20 . 1 1 83 83 VAL H H 83 8.670 8.670 9.289 -0.619 18152 13773 1 20 . 1 1 84 84 LEU N N 84 129.811 129.811 129.412 0.399 18152 13774 1 20 . 1 1 84 84 LEU HA H 84 5.647 5.647 5.424 0.223 18152 13775 1 20 . 1 1 84 84 LEU C C 84 175.644 175.644 176.267 -0.623 18152 13776 1 20 . 1 1 84 84 LEU CA C 84 53.160 53.160 53.080 0.080 18152 13777 1 20 . 1 1 84 84 LEU CB C 84 46.815 46.815 44.001 2.814 18152 13778 1 20 . 1 1 84 84 LEU H H 84 10.025 10.025 9.417 0.608 18152 13779 1 20 . 1 1 85 85 GLU N N 85 125.273 125.273 123.681 1.592 18152 13780 1 20 . 1 1 85 85 GLU HA H 85 5.293 5.293 5.509 -0.216 18152 13781 1 20 . 1 1 85 85 GLU C C 85 175.910 175.910 175.546 0.364 18152 13782 1 20 . 1 1 85 85 GLU CA C 85 54.716 54.716 55.128 -0.412 18152 13783 1 20 . 1 1 85 85 GLU CB C 85 30.904 30.904 31.784 -0.880 18152 13784 1 20 . 1 1 85 85 GLU H H 85 9.117 9.117 9.032 0.085 18152 13785 1 20 . 1 1 86 86 TYR N N 86 125.299 125.299 126.662 -1.363 18152 13786 1 20 . 1 1 86 86 TYR HA H 86 4.825 4.825 4.785 0.040 18152 13787 1 20 . 1 1 86 86 TYR C C 86 174.077 174.077 174.624 -0.547 18152 13788 1 20 . 1 1 86 86 TYR CA C 86 57.516 57.516 57.489 0.027 18152 13789 1 20 . 1 1 86 86 TYR CB C 86 41.720 41.720 42.733 -1.013 18152 13790 1 20 . 1 1 86 86 TYR H H 86 9.056 9.056 9.506 -0.450 18152 13791 1 20 . 1 1 87 87 ASP N N 87 131.006 131.006 129.973 1.033 18152 13792 1 20 . 1 1 87 87 ASP HA H 87 3.921 3.921 4.085 -0.164 18152 13793 1 20 . 1 1 87 87 ASP C C 87 171.773 171.773 175.344 -3.571 18152 13794 1 20 . 1 1 87 87 ASP CA C 87 54.613 54.613 55.125 -0.512 18152 13795 1 20 . 1 1 87 87 ASP CB C 87 39.659 39.659 40.132 -0.473 18152 13796 1 20 . 1 1 87 87 ASP H H 87 9.071 9.071 8.976 0.095 18152 13797 1 20 . 1 1 88 88 ASN N N 88 109.843 109.843 111.621 -1.778 18152 13798 1 20 . 1 1 88 88 ASN HA H 88 4.159 4.159 4.363 -0.204 18152 13799 1 20 . 1 1 88 88 ASN C C 88 173.995 173.995 174.249 -0.254 18152 13800 1 20 . 1 1 88 88 ASN CA C 88 54.528 54.528 54.922 -0.395 18152 13801 1 20 . 1 1 88 88 ASN CB C 88 37.383 37.383 37.863 -0.480 18152 13802 1 20 . 1 1 88 88 ASN H H 88 8.613 8.613 8.780 -0.167 18152 13803 1 20 . 1 1 89 89 LYS N N 89 119.021 119.021 119.487 -0.466 18152 13804 1 20 . 1 1 89 89 LYS HA H 89 4.714 4.714 4.895 -0.181 18152 13805 1 20 . 1 1 89 89 LYS C C 89 174.644 174.644 175.528 -0.884 18152 13806 1 20 . 1 1 89 89 LYS CA C 89 55.133 55.133 55.407 -0.274 18152 13807 1 20 . 1 1 89 89 LYS CB C 89 36.460 36.460 35.157 1.304 18152 13808 1 20 . 1 1 89 89 LYS H H 89 7.903 7.903 8.171 -0.268 18152 13809 1 20 . 1 1 90 90 THR N N 90 117.141 117.141 119.650 -2.509 18152 13810 1 20 . 1 1 90 90 THR HA H 90 4.819 4.819 5.298 -0.479 18152 13811 1 20 . 1 1 90 90 THR C C 90 172.823 172.823 173.892 -1.069 18152 13812 1 20 . 1 1 90 90 THR CA C 90 61.745 61.745 62.131 -0.386 18152 13813 1 20 . 1 1 90 90 THR CB C 90 69.709 69.709 70.058 -0.349 18152 13814 1 20 . 1 1 90 90 THR H H 90 8.451 8.451 8.442 0.009 18152 13815 1 20 . 1 1 91 91 TYR N N 91 127.333 127.333 127.433 -0.100 18152 13816 1 20 . 1 1 91 91 TYR HA H 91 4.620 4.620 4.780 -0.160 18152 13817 1 20 . 1 1 91 91 TYR C C 91 174.313 174.313 175.766 -1.453 18152 13818 1 20 . 1 1 91 91 TYR CA C 91 56.764 56.764 56.971 -0.207 18152 13819 1 20 . 1 1 91 91 TYR CB C 91 41.054 41.054 40.625 0.429 18152 13820 1 20 . 1 1 91 91 TYR H H 91 9.552 9.552 9.910 -0.358 18152 13821 1 20 . 1 1 92 92 THR N N 92 117.709 117.709 119.856 -2.147 18152 13822 1 20 . 1 1 92 92 THR HA H 92 4.941 4.941 4.703 0.238 18152 13823 1 20 . 1 1 92 92 THR C C 92 172.464 172.464 173.409 -0.945 18152 13824 1 20 . 1 1 92 92 THR CA C 92 61.320 61.320 61.833 -0.513 18152 13825 1 20 . 1 1 92 92 THR CB C 92 69.546 69.546 69.099 0.447 18152 13826 1 20 . 1 1 92 92 THR H H 92 8.705 8.705 8.982 -0.277 18152 13827 1 20 . 1 1 93 93 TYR N N 93 122.946 122.946 126.729 -3.783 18152 13828 1 20 . 1 1 93 93 TYR HA H 93 5.431 5.431 5.386 0.045 18152 13829 1 20 . 1 1 93 93 TYR C C 93 174.846 174.846 175.042 -0.196 18152 13830 1 20 . 1 1 93 93 TYR CA C 93 55.804 55.804 56.744 -0.940 18152 13831 1 20 . 1 1 93 93 TYR CB C 93 42.627 42.627 42.110 0.517 18152 13832 1 20 . 1 1 93 93 TYR H H 93 9.381 9.381 9.604 -0.223 18152 13833 1 20 . 1 1 94 94 GLU N N 94 121.240 121.240 121.309 -0.069 18152 13834 1 20 . 1 1 94 94 GLU HA H 94 4.901 4.901 5.011 -0.110 18152 13835 1 20 . 1 1 94 94 GLU C C 94 177.060 177.060 175.561 1.499 18152 13836 1 20 . 1 1 94 94 GLU CA C 94 54.073 54.073 53.962 0.111 18152 13837 1 20 . 1 1 94 94 GLU CB C 94 33.787 33.787 34.299 -0.512 18152 13838 1 20 . 1 1 94 94 GLU H H 94 9.100 9.100 9.299 -0.199 18152 13839 1 20 . 1 1 95 95 ILE N N 95 128.525 128.525 126.328 2.197 18152 13840 1 20 . 1 1 95 95 ILE HA H 95 3.737 3.737 4.139 -0.402 18152 13841 1 20 . 1 1 95 95 ILE C C 95 176.261 176.261 176.682 -0.421 18152 13842 1 20 . 1 1 95 95 ILE CA C 95 64.664 64.664 62.581 2.083 18152 13843 1 20 . 1 1 95 95 ILE CB C 95 37.472 37.472 36.040 1.432 18152 13844 1 20 . 1 1 95 95 ILE H H 95 9.293 9.293 8.390 0.903 18152 13845 1 20 . 1 1 96 96 GLN N N 96 127.221 127.221 128.711 -1.490 18152 13846 1 20 . 1 1 96 96 GLN HA H 96 4.831 4.831 4.505 0.326 18152 13847 1 20 . 1 1 96 96 GLN C C 96 174.674 174.674 176.286 -1.612 18152 13848 1 20 . 1 1 96 96 GLN CA C 96 54.632 54.632 56.547 -1.915 18152 13849 1 20 . 1 1 96 96 GLN CB C 96 31.165 31.165 30.653 0.512 18152 13850 1 20 . 1 1 96 96 GLN H H 96 10.106 10.106 8.551 1.555 18152 13851 1 20 . 1 1 97 97 LYS N N 97 120.717 120.717 119.021 1.696 18152 13852 1 20 . 1 1 97 97 LYS HA H 97 4.658 4.658 4.645 0.013 18152 13853 1 20 . 1 1 97 97 LYS C C 97 173.200 173.200 174.074 -0.874 18152 13854 1 20 . 1 1 97 97 LYS CA C 97 56.528 56.528 56.648 -0.120 18152 13855 1 20 . 1 1 97 97 LYS CB C 97 36.462 36.462 35.133 1.329 18152 13856 1 20 . 1 1 97 97 LYS H H 97 7.958 7.958 7.556 0.402 18152 13857 1 20 . 1 1 98 98 ILE N N 98 125.089 125.089 125.005 0.084 18152 13858 1 20 . 1 1 98 98 ILE HA H 98 5.221 5.221 4.700 0.521 18152 13859 1 20 . 1 1 98 98 ILE C C 98 175.821 175.821 175.373 0.448 18152 13860 1 20 . 1 1 98 98 ILE CA C 98 60.078 60.078 60.160 -0.082 18152 13861 1 20 . 1 1 98 98 ILE CB C 98 42.082 42.082 40.104 1.978 18152 13862 1 20 . 1 1 98 98 ILE H H 98 8.458 8.458 8.588 -0.130 18152 13863 1 20 . 1 1 99 99 TRP N N 99 129.003 129.003 126.365 2.638 18152 13864 1 20 . 1 1 99 99 TRP HA H 99 4.661 4.661 4.911 -0.250 18152 13865 1 20 . 1 1 99 99 TRP C C 99 170.353 170.353 172.748 -2.395 18152 13866 1 20 . 1 1 99 99 TRP CA C 99 56.388 56.388 55.885 0.503 18152 13867 1 20 . 1 1 99 99 TRP CB C 99 31.158 31.158 30.198 0.960 18152 13868 1 20 . 1 1 99 99 TRP H H 99 9.291 9.291 7.971 1.320 18152 13869 1 20 . 1 1 100 100 ILE N N 100 117.739 117.739 120.038 -2.299 18152 13870 1 20 . 1 1 100 100 ILE HA H 100 4.616 4.616 4.837 -0.221 18152 13871 1 20 . 1 1 100 100 ILE C C 100 176.258 176.258 175.386 0.872 18152 13872 1 20 . 1 1 100 100 ILE CA C 100 58.973 58.973 60.148 -1.175 18152 13873 1 20 . 1 1 100 100 ILE CB C 100 40.734 40.734 40.548 0.186 18152 13874 1 20 . 1 1 100 100 ILE H H 100 7.778 7.778 8.312 -0.534 18152 13875 1 20 . 1 1 101 101 THR N N 101 120.676 120.676 120.830 -0.154 18152 13876 1 20 . 1 1 101 101 THR HA H 101 4.755 4.755 4.758 -0.003 18152 13877 1 20 . 1 1 101 101 THR C C 101 172.069 172.069 172.978 -0.909 18152 13878 1 20 . 1 1 101 101 THR CA C 101 57.557 57.557 59.136 -1.579 18152 13879 1 20 . 1 1 101 101 THR CB C 101 70.656 70.656 70.728 -0.072 18152 13880 1 20 . 1 1 101 101 THR H H 101 8.587 8.587 8.669 -0.082 18152 13881 1 20 . 1 1 102 102 HIS N N 102 119.885 119.885 119.919 -0.034 18152 13882 1 20 . 1 1 102 102 HIS HA H 102 5.401 5.401 4.594 0.807 18152 13883 1 20 . 1 1 102 102 HIS C C 102 176.781 176.781 176.940 -0.159 18152 13884 1 20 . 1 1 102 102 HIS CA C 102 54.482 54.482 57.415 -2.933 18152 13885 1 20 . 1 1 102 102 HIS CB C 102 31.240 31.240 30.646 0.594 18152 13886 1 20 . 1 1 102 102 HIS H H 102 8.194 8.194 8.761 -0.567 18152 13887 1 20 . 1 1 103 103 ALA N N 103 121.632 121.632 125.938 -4.306 18152 13888 1 20 . 1 1 103 103 ALA HA H 103 3.710 3.710 4.014 -0.304 18152 13889 1 20 . 1 1 103 103 ALA C C 103 177.587 177.587 178.244 -0.657 18152 13890 1 20 . 1 1 103 103 ALA CA C 103 54.899 54.899 54.889 0.010 18152 13891 1 20 . 1 1 103 103 ALA CB C 103 17.981 17.981 18.952 -0.971 18152 13892 1 20 . 1 1 103 103 ALA H H 103 8.405 8.405 9.089 -0.684 18152 13893 1 20 . 1 1 104 104 ASP N N 104 114.513 114.513 116.757 -2.244 18152 13894 1 20 . 1 1 104 104 ASP HA H 104 4.603 4.603 4.630 -0.027 18152 13895 1 20 . 1 1 104 104 ASP C C 104 175.283 175.283 175.163 0.120 18152 13896 1 20 . 1 1 104 104 ASP CA C 104 53.070 53.070 53.803 -0.733 18152 13897 1 20 . 1 1 104 104 ASP CB C 104 40.034 40.034 40.538 -0.505 18152 13898 1 20 . 1 1 104 104 ASP H H 104 8.314 8.314 8.374 -0.060 18152 13899 1 20 . 1 1 105 105 ASP N N 105 119.184 119.184 121.327 -2.143 18152 13900 1 20 . 1 1 105 105 ASP HA H 105 4.170 4.170 4.626 -0.456 18152 13901 1 20 . 1 1 105 105 ASP C C 105 177.674 177.674 177.101 0.573 18152 13902 1 20 . 1 1 105 105 ASP CA C 105 54.268 54.268 54.443 -0.175 18152 13903 1 20 . 1 1 105 105 ASP CB C 105 39.846 39.846 41.128 -1.282 18152 13904 1 20 . 1 1 105 105 ASP H H 105 7.043 7.043 7.643 -0.600 18152 13905 1 20 . 1 1 106 106 ARG N N 106 127.998 127.998 127.133 0.865 18152 13906 1 20 . 1 1 106 106 ARG HA H 106 4.368 4.368 4.036 0.332 18152 13907 1 20 . 1 1 106 106 ARG C C 106 177.709 177.709 177.629 0.080 18152 13908 1 20 . 1 1 106 106 ARG CA C 106 55.888 55.888 59.250 -3.362 18152 13909 1 20 . 1 1 106 106 ARG CB C 106 29.264 29.264 29.674 -0.410 18152 13910 1 20 . 1 1 106 106 ARG H H 106 8.921 8.921 7.918 1.003 18152 13911 1 20 . 1 1 107 107 THR N N 107 111.880 111.880 111.697 0.183 18152 13912 1 20 . 1 1 107 107 THR HA H 107 4.139 4.139 4.002 0.137 18152 13913 1 20 . 1 1 107 107 THR C C 107 173.548 173.548 175.852 -2.304 18152 13914 1 20 . 1 1 107 107 THR CA C 107 62.350 62.350 65.054 -2.704 18152 13915 1 20 . 1 1 107 107 THR CB C 107 68.935 68.935 68.192 0.743 18152 13916 1 20 . 1 1 107 107 THR H H 107 8.857 8.857 8.151 0.706 18152 13917 1 20 . 1 1 108 108 VAL N N 108 118.971 118.971 110.913 8.058 18152 13918 1 20 . 1 1 108 108 VAL HA H 108 3.942 3.942 4.416 -0.474 18152 13919 1 20 . 1 1 108 108 VAL C C 108 176.853 176.853 175.941 0.912 18152 13920 1 20 . 1 1 108 108 VAL CA C 108 63.878 63.878 63.026 0.852 18152 13921 1 20 . 1 1 108 108 VAL CB C 108 32.470 32.470 32.768 -0.298 18152 13922 1 20 . 1 1 108 108 VAL H H 108 6.811 6.811 7.485 -0.674 18152 13923 1 20 . 1 1 109 109 ILE N N 109 120.334 120.334 120.155 0.179 18152 13924 1 20 . 1 1 109 109 ILE HA H 109 3.438 3.438 4.204 -0.766 18152 13925 1 20 . 1 1 109 109 ILE C C 109 173.191 173.191 175.972 -2.781 18152 13926 1 20 . 1 1 109 109 ILE CA C 109 60.963 60.963 60.862 0.101 18152 13927 1 20 . 1 1 109 109 ILE CB C 109 33.933 33.933 36.023 -2.090 18152 13928 1 20 . 1 1 109 109 ILE H H 109 8.053 8.053 8.233 -0.180 18152 13929 1 20 . 1 1 110 110 ILE N N 110 118.981 118.981 117.867 1.114 18152 13930 1 20 . 1 1 110 110 ILE HA H 110 4.542 4.542 4.369 0.173 18152 13931 1 20 . 1 1 110 110 ILE C C 110 174.405 174.405 174.372 0.033 18152 13932 1 20 . 1 1 110 110 ILE CA C 110 57.932 57.932 58.879 -0.947 18152 13933 1 20 . 1 1 110 110 ILE CB C 110 42.146 42.146 38.656 3.490 18152 13934 1 20 . 1 1 110 110 ILE H H 110 6.877 6.877 7.635 -0.758 18152 13935 1 20 . 1 1 111 111 LYS N N 111 123.307 123.307 120.064 3.243 18152 13936 1 20 . 1 1 111 111 LYS HA H 111 4.609 4.609 5.088 -0.479 18152 13937 1 20 . 1 1 111 111 LYS C C 111 176.528 176.528 176.202 0.326 18152 13938 1 20 . 1 1 111 111 LYS CA C 111 56.695 56.695 55.015 1.680 18152 13939 1 20 . 1 1 111 111 LYS CB C 111 33.092 33.092 34.260 -1.168 18152 13940 1 20 . 1 1 111 111 LYS H H 111 8.492 8.492 8.129 0.363 18152 13941 1 20 . 1 1 112 112 LYS N N 112 121.425 121.425 124.653 -3.228 18152 13942 1 20 . 1 1 112 112 LYS HA H 112 4.706 4.706 4.587 0.119 18152 13943 1 20 . 1 1 112 112 LYS C C 112 175.996 175.996 176.040 -0.044 18152 13944 1 20 . 1 1 112 112 LYS CA C 112 53.271 53.271 55.275 -2.004 18152 13945 1 20 . 1 1 112 112 LYS CB C 112 36.089 36.089 35.069 1.020 18152 13946 1 20 . 1 1 112 112 LYS H H 112 8.351 8.351 8.623 -0.272 18152 13947 1 20 . 1 1 113 113 GLU N N 113 119.533 119.533 120.687 -1.154 18152 13948 1 20 . 1 1 113 113 GLU HA H 113 4.372 4.372 4.251 0.121 18152 13949 1 20 . 1 1 113 113 GLU C C 113 174.477 174.477 175.598 -1.121 18152 13950 1 20 . 1 1 113 113 GLU CA C 113 55.175 55.175 56.888 -1.713 18152 13951 1 20 . 1 1 113 113 GLU CB C 113 29.097 29.097 30.236 -1.139 18152 13952 1 20 . 1 1 113 113 GLU H H 113 8.815 8.815 8.794 0.021 18152 13953 1 20 . 1 1 114 114 GLU N N 114 117.843 117.843 117.765 0.078 18152 13954 1 20 . 1 1 114 114 GLU HA H 114 4.701 4.701 4.646 0.055 18152 13955 1 20 . 1 1 114 114 GLU C C 114 172.378 172.378 174.056 -1.678 18152 13956 1 20 . 1 1 114 114 GLU CA C 114 52.633 52.633 52.989 -0.356 18152 13957 1 20 . 1 1 114 114 GLU CB C 114 30.487 30.487 29.642 0.845 18152 13958 1 20 . 1 1 114 114 GLU H H 114 7.426 7.426 7.624 -0.198 18152 13959 1 20 . 1 1 115 115 PRO HA H 115 4.725 4.725 5.009 -0.284 18152 13960 1 20 . 1 1 115 115 PRO CA C 115 62.352 62.352 63.002 -0.650 18152 13961 1 20 . 1 1 115 115 PRO CB C 115 30.706 30.706 31.317 -0.612 18152 13962 1 20 . 1 1 116 116 ILE N N 116 130.464 130.464 123.903 6.561 18152 13963 1 20 . 1 1 116 116 ILE HA H 116 4.785 4.785 4.934 -0.149 18152 13964 1 20 . 1 1 116 116 ILE C C 116 172.992 172.992 174.526 -1.534 18152 13965 1 20 . 1 1 116 116 ILE CA C 116 56.976 56.976 58.664 -1.688 18152 13966 1 20 . 1 1 116 116 ILE CB C 116 41.420 41.420 41.200 0.220 18152 13967 1 20 . 1 1 116 116 ILE H H 116 7.830 7.830 8.292 -0.462 18152 13968 1 20 . 1 1 117 117 LEU N N 117 128.504 128.504 129.530 -1.026 18152 13969 1 20 . 1 1 117 117 LEU HA H 117 5.307 5.307 5.243 0.064 18152 13970 1 20 . 1 1 117 117 LEU C C 117 174.488 174.488 175.364 -0.876 18152 13971 1 20 . 1 1 117 117 LEU CA C 117 52.062 52.062 53.173 -1.111 18152 13972 1 20 . 1 1 117 117 LEU CB C 117 45.447 45.447 44.457 0.990 18152 13973 1 20 . 1 1 117 117 LEU H H 117 8.838 8.838 8.860 -0.022 18152 13974 1 20 . 1 1 118 118 THR N N 118 125.436 125.436 123.562 1.874 18152 13975 1 20 . 1 1 118 118 THR HA H 118 5.417 5.417 4.811 0.606 18152 13976 1 20 . 1 1 118 118 THR C C 118 173.169 173.169 172.813 0.356 18152 13977 1 20 . 1 1 118 118 THR CA C 118 60.596 60.596 62.025 -1.429 18152 13978 1 20 . 1 1 118 118 THR CB C 118 68.558 68.558 69.734 -1.176 18152 13979 1 20 . 1 1 118 118 THR H H 118 8.938 8.938 9.226 -0.288 18152 13980 1 20 . 1 1 119 119 LEU N N 119 128.310 128.310 131.020 -2.710 18152 13981 1 20 . 1 1 119 119 LEU HA H 119 5.103 5.103 4.956 0.147 18152 13982 1 20 . 1 1 119 119 LEU C C 119 174.404 174.404 175.086 -0.682 18152 13983 1 20 . 1 1 119 119 LEU CA C 119 52.439 52.439 53.300 -0.861 18152 13984 1 20 . 1 1 119 119 LEU CB C 119 44.373 44.373 44.309 0.064 18152 13985 1 20 . 1 1 119 119 LEU H H 119 9.280 9.280 9.057 0.223 18152 13986 1 20 . 1 1 120 120 THR N N 120 117.635 117.635 120.881 -3.246 18152 13987 1 20 . 1 1 120 120 THR HA H 120 5.590 5.590 5.577 0.013 18152 13988 1 20 . 1 1 120 120 THR C C 120 172.735 172.735 174.229 -1.494 18152 13989 1 20 . 1 1 120 120 THR CA C 120 57.360 57.360 60.033 -2.673 18152 13990 1 20 . 1 1 120 120 THR CB C 120 70.136 70.136 70.605 -0.469 18152 13991 1 20 . 1 1 120 120 THR H H 120 8.640 8.640 9.284 -0.644 18152 13992 1 20 . 1 1 121 121 THR N N 121 116.149 116.149 117.512 -1.363 18152 13993 1 20 . 1 1 121 121 THR HA H 121 4.766 4.766 5.559 -0.793 18152 13994 1 20 . 1 1 121 121 THR C C 121 174.145 174.145 173.832 0.313 18152 13995 1 20 . 1 1 121 121 THR CA C 121 59.550 59.550 60.322 -0.772 18152 13996 1 20 . 1 1 121 121 THR CB C 121 71.701 71.701 72.612 -0.911 18152 13997 1 20 . 1 1 121 121 THR H H 121 8.374 8.374 9.036 -0.662 18152 13998 1 20 . 1 1 123 123 TYR N N 123 121.847 121.847 118.070 3.777 18152 13999 1 20 . 1 1 123 123 TYR H H 123 7.461 7.461 8.551 -1.090 18152 14000 1 20 . 1 1 125 125 PHE N N 125 120.754 120.754 115.849 4.905 18152 14001 1 20 . 1 1 125 125 PHE HA H 125 4.420 4.420 4.305 0.115 18152 14002 1 20 . 1 1 125 125 PHE C C 125 176.083 176.083 175.909 0.174 18152 14003 1 20 . 1 1 125 125 PHE CA C 125 58.918 58.918 60.427 -1.509 18152 14004 1 20 . 1 1 125 125 PHE CB C 125 38.624 38.624 37.683 0.941 18152 14005 1 20 . 1 1 125 125 PHE H H 125 7.334 7.334 8.169 -0.835 18152 14006 1 20 . 1 1 126 126 ASP N N 126 114.938 114.938 117.081 -2.143 18152 14007 1 20 . 1 1 126 126 ASP HA H 126 4.548 4.548 3.707 0.842 18152 14008 1 20 . 1 1 126 126 ASP C C 126 175.285 175.285 175.836 -0.551 18152 14009 1 20 . 1 1 126 126 ASP CA C 126 51.974 51.974 56.351 -4.377 18152 14010 1 20 . 1 1 126 126 ASP CB C 126 39.454 39.454 40.469 -1.015 18152 14011 1 20 . 1 1 126 126 ASP H H 126 8.179 8.179 7.624 0.555 18152 14012 1 20 . 1 1 127 127 TYR N N 127 121.170 121.170 119.374 1.796 18152 14013 1 20 . 1 1 127 127 TYR HA H 127 3.947 3.947 4.524 -0.577 18152 14014 1 20 . 1 1 127 127 TYR C C 127 175.022 175.022 174.309 0.713 18152 14015 1 20 . 1 1 127 127 TYR CA C 127 58.734 58.734 56.767 1.967 18152 14016 1 20 . 1 1 127 127 TYR CB C 127 39.330 39.330 39.824 -0.494 18152 14017 1 20 . 1 1 127 127 TYR H H 127 7.196 7.196 7.382 -0.186 18152 14018 1 20 . 1 1 128 128 ILE N N 128 127.293 127.293 127.405 -0.112 18152 14019 1 20 . 1 1 128 128 ILE HA H 128 4.081 4.081 3.552 0.529 18152 14020 1 20 . 1 1 128 128 ILE C C 128 174.579 174.579 175.728 -1.149 18152 14021 1 20 . 1 1 128 128 ILE CA C 128 60.165 60.165 62.416 -2.251 18152 14022 1 20 . 1 1 128 128 ILE CB C 128 37.120 37.120 35.599 1.521 18152 14023 1 20 . 1 1 128 128 ILE H H 128 7.634 7.634 8.257 -0.623 18152 14024 1 20 . 1 1 129 129 GLY N N 129 114.862 114.862 115.076 -0.214 18152 14025 1 20 . 1 1 129 129 GLY C C 129 172.992 172.992 173.016 -0.024 18152 14026 1 20 . 1 1 129 129 GLY CA C 129 43.458 43.458 44.385 -0.926 18152 14027 1 20 . 1 1 129 129 GLY H H 129 8.150 8.150 7.954 0.196 18152 14028 1 20 . 1 1 130 130 ASP N N 130 122.165 122.165 123.269 -1.104 18152 14029 1 20 . 1 1 130 130 ASP HA H 130 4.639 4.639 4.737 -0.098 18152 14030 1 20 . 1 1 130 130 ASP C C 130 174.579 174.579 175.654 -1.075 18152 14031 1 20 . 1 1 130 130 ASP CA C 130 53.344 53.344 53.735 -0.391 18152 14032 1 20 . 1 1 130 130 ASP CB C 130 39.979 39.979 40.445 -0.466 18152 14033 1 20 . 1 1 130 130 ASP H H 130 8.541 8.541 8.480 0.061 18152 14034 1 20 . 1 1 131 131 ALA N N 131 129.087 129.087 127.437 1.650 18152 14035 1 20 . 1 1 131 131 ALA HA H 131 3.673 3.673 3.546 0.127 18152 14036 1 20 . 1 1 131 131 ALA C C 131 176.791 176.791 176.225 0.566 18152 14037 1 20 . 1 1 131 131 ALA CA C 131 50.186 50.186 50.918 -0.732 18152 14038 1 20 . 1 1 131 131 ALA CB C 131 17.692 17.692 18.107 -0.415 18152 14039 1 20 . 1 1 131 131 ALA H H 131 8.280 8.280 8.269 0.011 18152 14040 1 20 . 1 1 133 133 ASP N N 133 117.477 117.477 114.200 3.277 18152 14041 1 20 . 1 1 133 133 ASP HA H 133 5.512 5.512 4.630 0.882 18152 14042 1 20 . 1 1 133 133 ASP C C 133 175.988 175.988 174.878 1.110 18152 14043 1 20 . 1 1 133 133 ASP CA C 133 53.067 53.067 51.787 1.280 18152 14044 1 20 . 1 1 133 133 ASP CB C 133 45.102 45.102 43.062 2.040 18152 14045 1 20 . 1 1 133 133 ASP H H 133 7.355 7.355 7.687 -0.332 18152 14046 1 20 . 1 1 134 134 ARG N N 134 120.986 120.986 119.416 1.570 18152 14047 1 20 . 1 1 134 134 ARG HA H 134 4.871 4.871 4.623 0.248 18152 14048 1 20 . 1 1 134 134 ARG C C 134 172.288 172.288 174.482 -2.194 18152 14049 1 20 . 1 1 134 134 ARG CA C 134 53.958 53.958 54.780 -0.822 18152 14050 1 20 . 1 1 134 134 ARG CB C 134 33.787 33.787 33.822 -0.035 18152 14051 1 20 . 1 1 134 134 ARG H H 134 9.308 9.308 8.829 0.479 18152 14052 1 20 . 1 1 135 135 TYR N N 135 127.342 127.342 127.061 0.281 18152 14053 1 20 . 1 1 135 135 TYR HA H 135 4.037 4.037 4.521 -0.484 18152 14054 1 20 . 1 1 135 135 TYR C C 135 173.811 173.811 173.924 -0.113 18152 14055 1 20 . 1 1 135 135 TYR CA C 135 57.419 57.419 58.801 -1.382 18152 14056 1 20 . 1 1 135 135 TYR CB C 135 40.515 40.515 40.060 0.455 18152 14057 1 20 . 1 1 135 135 TYR H H 135 8.867 8.867 8.262 0.605 18152 14058 1 20 . 1 1 136 136 ILE N N 136 128.458 128.458 127.857 0.601 18152 14059 1 20 . 1 1 136 136 ILE HA H 136 4.133 4.133 4.901 -0.768 18152 14060 1 20 . 1 1 136 136 ILE C C 136 173.610 173.610 173.916 -0.306 18152 14061 1 20 . 1 1 136 136 ILE CA C 136 58.968 58.968 59.480 -0.512 18152 14062 1 20 . 1 1 136 136 ILE CB C 136 40.998 40.998 41.541 -0.543 18152 14063 1 20 . 1 1 136 136 ILE H H 136 8.569 8.569 7.933 0.636 18152 14064 1 20 . 1 1 137 137 ILE N N 137 123.623 123.623 127.299 -3.676 18152 14065 1 20 . 1 1 137 137 ILE HA H 137 4.330 4.330 4.251 0.079 18152 14066 1 20 . 1 1 137 137 ILE C C 137 173.524 173.524 174.451 -0.927 18152 14067 1 20 . 1 1 137 137 ILE CA C 137 59.873 59.873 58.526 1.347 18152 14068 1 20 . 1 1 137 137 ILE CB C 137 40.767 40.767 36.861 3.906 18152 14069 1 20 . 1 1 137 137 ILE H H 137 8.263 8.263 8.998 -0.735 18152 14070 1 20 . 1 1 138 138 GLU N N 138 127.009 127.009 128.863 -1.854 18152 14071 1 20 . 1 1 138 138 GLU HA H 138 5.219 5.219 5.032 0.187 18152 14072 1 20 . 1 1 138 138 GLU C C 138 175.383 175.383 174.916 0.467 18152 14073 1 20 . 1 1 138 138 GLU CA C 138 54.895 54.895 54.764 0.131 18152 14074 1 20 . 1 1 138 138 GLU CB C 138 33.904 33.904 32.605 1.299 18152 14075 1 20 . 1 1 138 138 GLU H H 138 9.166 9.166 8.052 1.114 18152 14076 1 20 . 1 1 139 139 ALA N N 139 132.785 132.785 127.722 5.063 18152 14077 1 20 . 1 1 139 139 ALA HA H 139 5.231 5.231 5.263 -0.032 18152 14078 1 20 . 1 1 139 139 ALA C C 139 173.789 173.789 174.958 -1.169 18152 14079 1 20 . 1 1 139 139 ALA CA C 139 50.197 50.197 51.019 -0.822 18152 14080 1 20 . 1 1 139 139 ALA CB C 139 24.262 24.262 23.460 0.802 18152 14081 1 20 . 1 1 139 139 ALA H H 139 10.313 10.313 8.622 1.691 18152 14082 1 20 . 1 1 140 140 LYS N N 140 120.672 120.672 121.861 -1.189 18152 14083 1 20 . 1 1 140 140 LYS HA H 140 5.062 5.062 5.192 -0.130 18152 14084 1 20 . 1 1 140 140 LYS C C 140 175.807 175.807 175.253 0.554 18152 14085 1 20 . 1 1 140 140 LYS CA C 140 54.250 54.250 53.987 0.263 18152 14086 1 20 . 1 1 140 140 LYS CB C 140 34.937 34.937 36.887 -1.950 18152 14087 1 20 . 1 1 140 140 LYS H H 140 8.507 8.507 8.472 0.035 18152 14088 1 20 . 1 1 141 141 LEU N N 141 126.557 126.557 127.399 -0.842 18152 14089 1 20 . 1 1 141 141 LEU HA H 141 4.107 4.107 4.193 -0.086 18152 14090 1 20 . 1 1 141 141 LEU C C 141 177.236 177.236 177.028 0.208 18152 14091 1 20 . 1 1 141 141 LEU CA C 141 56.169 56.169 55.454 0.715 18152 14092 1 20 . 1 1 141 141 LEU CB C 141 42.408 42.408 42.111 0.297 18152 14093 1 20 . 1 1 141 141 LEU H H 141 7.560 7.560 8.362 -0.802 18152 14094 1 20 . 1 1 142 142 THR N N 142 119.454 119.454 120.541 -1.087 18152 14095 1 20 . 1 1 142 142 THR HA H 142 4.522 4.522 4.374 0.148 18152 14096 1 20 . 1 1 142 142 THR C C 142 175.187 175.187 174.860 0.327 18152 14097 1 20 . 1 1 142 142 THR CA C 142 60.915 60.915 61.985 -1.070 18152 14098 1 20 . 1 1 142 142 THR CB C 142 69.490 69.490 69.802 -0.312 18152 14099 1 20 . 1 1 142 142 THR H H 142 9.562 9.562 8.997 0.565 18152 14100 1 20 . 1 1 143 143 GLY N N 143 109.946 109.946 109.026 0.920 18152 14101 1 20 . 1 1 143 143 GLY C C 143 170.713 170.713 171.870 -1.157 18152 14102 1 20 . 1 1 143 143 GLY CA C 143 45.254 45.254 44.114 1.140 18152 14103 1 20 . 1 1 143 143 GLY H H 143 7.513 7.513 7.482 0.031 18152 14104 1 20 . 1 1 144 144 SER N N 144 112.778 112.778 113.269 -0.491 18152 14105 1 20 . 1 1 144 144 SER HA H 144 5.059 5.059 5.015 0.044 18152 14106 1 20 . 1 1 144 144 SER C C 144 173.178 173.178 172.360 0.818 18152 14107 1 20 . 1 1 144 144 SER CA C 144 56.393 56.393 56.642 -0.249 18152 14108 1 20 . 1 1 144 144 SER CB C 144 65.587 65.587 66.216 -0.629 18152 14109 1 20 . 1 1 144 144 SER H H 144 7.877 7.877 7.938 -0.061 18152 14110 1 20 . 1 1 145 145 TYR N N 145 119.351 119.351 120.121 -0.770 18152 14111 1 20 . 1 1 145 145 TYR HA H 145 4.755 4.755 4.678 0.077 18152 14112 1 20 . 1 1 145 145 TYR C C 145 174.580 174.580 174.499 0.081 18152 14113 1 20 . 1 1 145 145 TYR CA C 145 56.413 56.413 56.539 -0.127 18152 14114 1 20 . 1 1 145 145 TYR CB C 145 40.096 40.096 43.207 -3.111 18152 14115 1 20 . 1 1 145 145 TYR H H 145 8.374 8.374 8.760 -0.386 18152 14116 1 20 . 1 1 146 146 SER N N 146 117.533 117.533 116.106 1.427 18152 14117 1 20 . 1 1 146 146 SER HA H 146 4.564 4.564 4.617 -0.053 18152 14118 1 20 . 1 1 146 146 SER CA C 146 58.000 58.000 57.389 0.611 18152 14119 1 20 . 1 1 146 146 SER CB C 146 63.905 63.905 65.399 -1.494 18152 14120 1 20 . 1 1 146 146 SER H H 146 8.502 8.502 8.573 -0.071 18152 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 120 2.825 0.774 2.728 18152 2 1 1 "Average Difference" HA 134 0.370 0.043 0.369 18152 3 1 1 "Average Difference" C 117 1.109 0.170 1.100 18152 4 1 1 "Average Difference" CA 124 1.445 0.322 1.414 18152 5 1 1 "Average Difference" CB 113 1.302 0.117 1.303 18152 6 1 1 "Average Difference" HN 120 0.583 -0.037 0.585 18152 7 1 2 "Average Difference" N 120 3.151 0.318 3.148 18152 8 1 2 "Average Difference" HA 134 0.398 0.037 0.398 18152 9 1 2 "Average Difference" C 117 1.142 0.136 1.139 18152 10 1 2 "Average Difference" CA 124 1.494 0.421 1.439 18152 11 1 2 "Average Difference" CB 113 1.329 0.087 1.332 18152 12 1 2 "Average Difference" HN 120 0.588 -0.023 0.590 18152 13 1 3 "Average Difference" N 120 3.197 0.448 3.179 18152 14 1 3 "Average Difference" HA 134 0.394 0.034 0.394 18152 15 1 3 "Average Difference" C 117 1.127 0.153 1.121 18152 16 1 3 "Average Difference" CA 124 1.415 0.386 1.367 18152 17 1 3 "Average Difference" CB 113 1.357 0.077 1.361 18152 18 1 3 "Average Difference" HN 120 0.605 -0.042 0.606 18152 19 1 4 "Average Difference" N 120 2.993 0.305 2.990 18152 20 1 4 "Average Difference" HA 134 0.377 0.027 0.377 18152 21 1 4 "Average Difference" C 117 1.090 0.148 1.084 18152 22 1 4 "Average Difference" CA 124 1.409 0.378 1.363 18152 23 1 4 "Average Difference" CB 113 1.234 0.047 1.239 18152 24 1 4 "Average Difference" HN 120 0.628 0.008 0.631 18152 25 1 5 "Average Difference" N 120 3.002 0.658 2.941 18152 26 1 5 "Average Difference" HA 134 0.382 0.025 0.383 18152 27 1 5 "Average Difference" C 117 1.128 0.152 1.122 18152 28 1 5 "Average Difference" CA 124 1.432 0.335 1.398 18152 29 1 5 "Average Difference" CB 113 1.359 0.023 1.365 18152 30 1 5 "Average Difference" HN 120 0.591 -0.001 0.593 18152 31 1 6 "Average Difference" N 120 2.972 0.678 2.905 18152 32 1 6 "Average Difference" HA 134 0.383 0.038 0.383 18152 33 1 6 "Average Difference" C 117 1.125 0.155 1.119 18152 34 1 6 "Average Difference" CA 124 1.436 0.322 1.405 18152 35 1 6 "Average Difference" CB 113 1.389 0.060 1.394 18152 36 1 6 "Average Difference" HN 120 0.606 0.004 0.608 18152 37 1 7 "Average Difference" N 120 2.878 0.497 2.846 18152 38 1 7 "Average Difference" HA 134 0.355 0.010 0.356 18152 39 1 7 "Average Difference" C 117 1.093 0.171 1.085 18152 40 1 7 "Average Difference" CA 124 1.460 0.346 1.424 18152 41 1 7 "Average Difference" CB 113 1.346 -0.021 1.351 18152 42 1 7 "Average Difference" HN 120 0.616 -0.001 0.619 18152 43 1 8 "Average Difference" N 120 2.950 0.402 2.935 18152 44 1 8 "Average Difference" HA 134 0.381 0.031 0.382 18152 45 1 8 "Average Difference" C 117 1.104 0.119 1.102 18152 46 1 8 "Average Difference" CA 124 1.412 0.366 1.369 18152 47 1 8 "Average Difference" CB 113 1.279 0.080 1.282 18152 48 1 8 "Average Difference" HN 120 0.592 -0.027 0.593 18152 49 1 9 "Average Difference" N 120 2.946 0.443 2.925 18152 50 1 9 "Average Difference" HA 134 0.390 0.050 0.388 18152 51 1 9 "Average Difference" C 117 1.102 0.182 1.091 18152 52 1 9 "Average Difference" CA 124 1.439 0.396 1.389 18152 53 1 9 "Average Difference" CB 113 1.287 0.076 1.291 18152 54 1 9 "Average Difference" HN 120 0.595 0.000 0.597 18152 55 1 10 "Average Difference" N 120 2.684 0.465 2.654 18152 56 1 10 "Average Difference" HA 134 0.389 0.016 0.390 18152 57 1 10 "Average Difference" C 117 1.087 0.129 1.084 18152 58 1 10 "Average Difference" CA 124 1.421 0.402 1.368 18152 59 1 10 "Average Difference" CB 113 1.304 0.081 1.308 18152 60 1 10 "Average Difference" HN 120 0.613 -0.044 0.614 18152 61 1 11 "Average Difference" N 120 2.987 0.725 2.910 18152 62 1 11 "Average Difference" HA 134 0.363 0.010 0.365 18152 63 1 11 "Average Difference" C 117 1.117 0.183 1.107 18152 64 1 11 "Average Difference" CA 124 1.437 0.381 1.391 18152 65 1 11 "Average Difference" CB 113 1.326 0.007 1.332 18152 66 1 11 "Average Difference" HN 120 0.592 -0.026 0.594 18152 67 1 12 "Average Difference" N 120 3.110 0.241 3.113 18152 68 1 12 "Average Difference" HA 134 0.390 0.027 0.391 18152 69 1 12 "Average Difference" C 117 1.103 0.155 1.096 18152 70 1 12 "Average Difference" CA 124 1.544 0.353 1.509 18152 71 1 12 "Average Difference" CB 113 1.364 0.043 1.369 18152 72 1 12 "Average Difference" HN 120 0.586 -0.055 0.586 18152 73 1 13 "Average Difference" N 120 2.998 0.514 2.966 18152 74 1 13 "Average Difference" HA 134 0.386 0.023 0.387 18152 75 1 13 "Average Difference" C 117 1.109 0.161 1.102 18152 76 1 13 "Average Difference" CA 124 1.434 0.367 1.392 18152 77 1 13 "Average Difference" CB 113 1.351 0.015 1.357 18152 78 1 13 "Average Difference" HN 120 0.612 -0.022 0.615 18152 79 1 14 "Average Difference" N 120 2.932 0.349 2.923 18152 80 1 14 "Average Difference" HA 134 0.349 0.031 0.349 18152 81 1 14 "Average Difference" C 117 1.144 0.225 1.126 18152 82 1 14 "Average Difference" CA 124 1.338 0.358 1.294 18152 83 1 14 "Average Difference" CB 113 1.410 0.030 1.416 18152 84 1 14 "Average Difference" HN 120 0.598 -0.040 0.599 18152 85 1 15 "Average Difference" N 120 3.117 0.400 3.104 18152 86 1 15 "Average Difference" HA 134 0.382 0.020 0.383 18152 87 1 15 "Average Difference" C 117 1.161 0.178 1.152 18152 88 1 15 "Average Difference" CA 124 1.487 0.375 1.444 18152 89 1 15 "Average Difference" CB 113 1.345 0.062 1.349 18152 90 1 15 "Average Difference" HN 120 0.591 -0.033 0.592 18152 91 1 16 "Average Difference" N 120 2.983 0.497 2.954 18152 92 1 16 "Average Difference" HA 134 0.379 0.017 0.380 18152 93 1 16 "Average Difference" C 117 1.116 0.208 1.102 18152 94 1 16 "Average Difference" CA 124 1.379 0.371 1.334 18152 95 1 16 "Average Difference" CB 113 1.323 0.041 1.328 18152 96 1 16 "Average Difference" HN 120 0.613 0.003 0.616 18152 97 1 17 "Average Difference" N 120 3.038 0.367 3.028 18152 98 1 17 "Average Difference" HA 134 0.386 0.016 0.387 18152 99 1 17 "Average Difference" C 117 1.185 0.202 1.172 18152 100 1 17 "Average Difference" CA 124 1.463 0.401 1.413 18152 101 1 17 "Average Difference" CB 113 1.429 0.003 1.435 18152 102 1 17 "Average Difference" HN 120 0.605 -0.028 0.607 18152 103 1 18 "Average Difference" N 120 2.863 0.282 2.861 18152 104 1 18 "Average Difference" HA 134 0.375 0.020 0.376 18152 105 1 18 "Average Difference" C 117 1.162 0.216 1.146 18152 106 1 18 "Average Difference" CA 124 1.419 0.364 1.378 18152 107 1 18 "Average Difference" CB 113 1.410 -0.019 1.416 18152 108 1 18 "Average Difference" HN 120 0.610 -0.008 0.613 18152 109 1 19 "Average Difference" N 120 3.178 0.529 3.147 18152 110 1 19 "Average Difference" HA 134 0.379 0.008 0.381 18152 111 1 19 "Average Difference" C 117 1.161 0.165 1.154 18152 112 1 19 "Average Difference" CA 124 1.482 0.338 1.449 18152 113 1 19 "Average Difference" CB 113 1.370 0.002 1.376 18152 114 1 19 "Average Difference" HN 120 0.623 -0.039 0.624 18152 115 1 20 "Average Difference" N 120 3.035 0.537 3.000 18152 116 1 20 "Average Difference" HA 134 0.378 0.037 0.378 18152 117 1 20 "Average Difference" C 117 1.102 0.146 1.097 18152 118 1 20 "Average Difference" CA 124 1.435 0.418 1.379 18152 119 1 20 "Average Difference" CB 113 1.247 -0.014 1.252 18152 120 1 20 "Average Difference" HN 120 0.602 -0.025 0.604 18152 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 18152 _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 7 7 GLN N N 7 122.485 122.485 121.336 1.149 18152 2 1 . 1 1 7 7 GLN CA C 7 55.218 55.218 56.361 -1.143 18152 3 1 . 1 1 7 7 GLN CB C 7 28.842 28.842 29.234 -0.392 18152 4 1 . 1 1 7 7 GLN H H 7 8.175 8.175 8.394 -0.219 18152 5 1 . 1 1 8 8 THR N N 8 115.244 115.244 113.818 1.426 18152 6 1 . 1 1 8 8 THR HA H 8 4.189 4.189 4.297 -0.108 18152 7 1 . 1 1 8 8 THR C C 8 173.961 173.961 174.251 -0.290 18152 8 1 . 1 1 8 8 THR CA C 8 61.486 61.486 62.470 -0.984 18152 9 1 . 1 1 8 8 THR CB C 8 69.316 69.316 69.393 -0.077 18152 10 1 . 1 1 8 8 THR H H 8 8.027 8.027 8.157 -0.130 18152 11 1 . 1 1 9 9 GLU N N 9 123.496 123.496 121.813 1.683 18152 12 1 . 1 1 9 9 GLU HA H 9 4.060 4.060 4.138 -0.078 18152 13 1 . 1 1 9 9 GLU C C 9 175.555 175.555 175.617 -0.062 18152 14 1 . 1 1 9 9 GLU CA C 9 55.868 55.868 56.698 -0.830 18152 15 1 . 1 1 9 9 GLU CB C 9 29.611 29.611 30.421 -0.810 18152 16 1 . 1 1 9 9 GLU H H 9 8.225 8.225 8.315 -0.090 18152 17 1 . 1 1 10 10 HIS N N 10 119.084 119.084 117.474 1.610 18152 18 1 . 1 1 10 10 HIS HA H 10 4.384 4.384 4.297 0.087 18152 19 1 . 1 1 10 10 HIS C C 10 173.742 173.742 174.419 -0.677 18152 20 1 . 1 1 10 10 HIS CA C 10 53.932 53.932 55.946 -2.014 18152 21 1 . 1 1 10 10 HIS CB C 10 28.922 28.922 29.342 -0.420 18152 22 1 . 1 1 10 10 HIS H H 10 7.357 7.357 8.309 -0.952 18152 23 1 . 1 1 11 11 LYS N N 11 121.509 121.509 121.936 -0.427 18152 24 1 . 1 1 11 11 LYS HA H 11 4.469 4.469 4.412 0.057 18152 25 1 . 1 1 11 11 LYS C C 11 176.210 176.210 176.328 -0.118 18152 26 1 . 1 1 11 11 LYS CA C 11 54.245 54.245 55.972 -1.727 18152 27 1 . 1 1 11 11 LYS CB C 11 33.548 33.548 33.657 -0.109 18152 28 1 . 1 1 11 11 LYS H H 11 8.409 8.409 7.976 0.433 18152 29 1 . 1 1 12 12 GLU N N 12 123.025 123.025 122.563 0.462 18152 30 1 . 1 1 12 12 GLU HA H 12 4.240 4.240 4.390 -0.150 18152 31 1 . 1 1 12 12 GLU C C 12 178.023 178.023 177.333 0.690 18152 32 1 . 1 1 12 12 GLU CA C 12 58.350 58.350 57.463 0.887 18152 33 1 . 1 1 12 12 GLU CB C 12 29.254 29.254 29.791 -0.537 18152 34 1 . 1 1 12 12 GLU H H 12 8.929 8.929 8.704 0.225 18152 35 1 . 1 1 13 13 GLY N N 13 113.216 113.216 112.749 0.467 18152 36 1 . 1 1 13 13 GLY C C 13 174.141 174.141 173.934 0.207 18152 37 1 . 1 1 13 13 GLY CA C 13 45.243 45.243 45.257 -0.014 18152 38 1 . 1 1 13 13 GLY H H 13 9.714 9.714 9.309 0.405 18152 39 1 . 1 1 14 14 GLU N N 14 120.782 120.782 120.169 0.613 18152 40 1 . 1 1 14 14 GLU HA H 14 4.472 4.472 4.781 -0.309 18152 41 1 . 1 1 14 14 GLU C C 14 176.436 176.436 175.748 0.688 18152 42 1 . 1 1 14 14 GLU CA C 14 55.641 55.641 54.115 1.526 18152 43 1 . 1 1 14 14 GLU CB C 14 30.989 30.989 32.205 -1.216 18152 44 1 . 1 1 14 14 GLU H H 14 8.289 8.289 7.831 0.458 18152 45 1 . 1 1 15 15 LYS N N 15 125.126 125.126 126.362 -1.236 18152 46 1 . 1 1 15 15 LYS HA H 15 4.100 4.100 3.625 0.475 18152 47 1 . 1 1 15 15 LYS C C 15 176.970 176.970 176.453 0.517 18152 48 1 . 1 1 15 15 LYS CA C 15 57.098 57.098 57.421 -0.323 18152 49 1 . 1 1 15 15 LYS CB C 15 31.680 31.680 31.643 0.037 18152 50 1 . 1 1 15 15 LYS H H 15 8.978 8.978 8.928 0.050 18152 51 1 . 1 1 16 16 VAL N N 16 119.214 119.214 120.744 -1.530 18152 52 1 . 1 1 16 16 VAL HA H 16 4.572 4.572 4.209 0.363 18152 53 1 . 1 1 16 16 VAL C C 16 174.148 174.148 174.514 -0.366 18152 54 1 . 1 1 16 16 VAL CA C 16 60.141 60.141 61.698 -1.557 18152 55 1 . 1 1 16 16 VAL CB C 16 34.881 34.881 33.336 1.545 18152 56 1 . 1 1 16 16 VAL H H 16 8.976 8.976 8.029 0.947 18152 57 1 . 1 1 17 17 ALA N N 17 121.368 121.368 120.629 0.739 18152 58 1 . 1 1 17 17 ALA HA H 17 5.186 5.186 5.041 0.145 18152 59 1 . 1 1 17 17 ALA C C 17 174.664 174.664 174.828 -0.164 18152 60 1 . 1 1 17 17 ALA CA C 17 51.098 51.098 50.109 0.989 18152 61 1 . 1 1 17 17 ALA CB C 17 22.853 22.853 22.520 0.333 18152 62 1 . 1 1 17 17 ALA H H 17 8.069 8.069 7.527 0.542 18152 63 1 . 1 1 18 18 MET N N 18 116.475 116.475 119.757 -3.282 18152 64 1 . 1 1 18 18 MET HA H 18 5.303 5.303 5.001 0.302 18152 65 1 . 1 1 18 18 MET C C 18 174.413 174.413 174.021 0.392 18152 66 1 . 1 1 18 18 MET CA C 18 53.607 53.607 54.452 -0.845 18152 67 1 . 1 1 18 18 MET CB C 18 35.038 35.038 37.099 -2.061 18152 68 1 . 1 1 18 18 MET H H 18 8.142 8.142 8.298 -0.156 18152 69 1 . 1 1 19 19 LEU N N 19 126.244 126.244 126.872 -0.628 18152 70 1 . 1 1 19 19 LEU HA H 19 5.268 5.268 5.228 0.040 18152 71 1 . 1 1 19 19 LEU C C 19 173.617 173.617 174.311 -0.694 18152 72 1 . 1 1 19 19 LEU CA C 19 52.851 52.851 53.580 -0.729 18152 73 1 . 1 1 19 19 LEU CB C 19 44.705 44.705 44.667 0.038 18152 74 1 . 1 1 19 19 LEU H H 19 9.369 9.369 9.355 0.014 18152 75 1 . 1 1 20 20 ASN N N 20 126.596 126.596 125.745 0.851 18152 76 1 . 1 1 20 20 ASN HA H 20 5.340 5.340 5.373 -0.033 18152 77 1 . 1 1 20 20 ASN C C 20 174.316 174.316 173.781 0.535 18152 78 1 . 1 1 20 20 ASN CA C 20 51.344 51.344 52.088 -0.743 18152 79 1 . 1 1 20 20 ASN CB C 20 40.972 40.972 42.024 -1.052 18152 80 1 . 1 1 20 20 ASN H H 20 10.032 10.032 9.235 0.797 18152 81 1 . 1 1 21 21 ILE N N 21 123.799 123.799 125.593 -1.794 18152 82 1 . 1 1 21 21 ILE HA H 21 4.829 4.829 4.891 -0.062 18152 83 1 . 1 1 21 21 ILE C C 21 174.409 174.409 174.834 -0.425 18152 84 1 . 1 1 21 21 ILE CA C 21 58.243 58.243 58.190 0.053 18152 85 1 . 1 1 21 21 ILE CB C 21 37.477 37.477 39.081 -1.604 18152 86 1 . 1 1 21 21 ILE H H 21 8.614 8.614 9.280 -0.666 18152 87 1 . 1 1 22 22 PRO HA H 22 4.178 4.178 4.397 -0.219 18152 88 1 . 1 1 22 22 PRO CA C 22 65.629 65.629 65.316 0.313 18152 89 1 . 1 1 22 22 PRO CB C 22 31.806 31.806 32.081 -0.275 18152 90 1 . 1 1 23 23 LYS N N 23 118.170 118.170 119.510 -1.340 18152 91 1 . 1 1 23 23 LYS HA H 23 3.943 3.943 4.124 -0.181 18152 92 1 . 1 1 23 23 LYS C C 23 177.231 177.231 177.581 -0.350 18152 93 1 . 1 1 23 23 LYS CA C 23 58.643 58.643 58.739 -0.096 18152 94 1 . 1 1 23 23 LYS CB C 23 33.171 33.171 32.202 0.969 18152 95 1 . 1 1 23 23 LYS H H 23 9.365 9.365 8.415 0.950 18152 96 1 . 1 1 24 24 LEU N N 24 111.984 111.984 117.168 -5.184 18152 97 1 . 1 1 24 24 LEU HA H 24 4.319 4.319 4.474 -0.155 18152 98 1 . 1 1 24 24 LEU C C 24 175.562 175.562 176.057 -0.495 18152 99 1 . 1 1 24 24 LEU CA C 24 52.965 52.965 54.267 -1.302 18152 100 1 . 1 1 24 24 LEU CB C 24 42.473 42.473 41.322 1.151 18152 101 1 . 1 1 24 24 LEU H H 24 6.919 6.919 7.988 -1.070 18152 102 1 . 1 1 25 25 LYS N N 25 115.814 115.814 117.012 -1.198 18152 103 1 . 1 1 25 25 LYS HA H 25 3.849 3.849 4.008 -0.159 18152 104 1 . 1 1 25 25 LYS C C 25 175.297 175.297 175.581 -0.284 18152 105 1 . 1 1 25 25 LYS CA C 25 56.598 56.598 57.361 -0.763 18152 106 1 . 1 1 25 25 LYS CB C 25 28.918 28.918 29.686 -0.768 18152 107 1 . 1 1 25 25 LYS H H 25 7.912 7.912 7.606 0.306 18152 108 1 . 1 1 26 26 LYS N N 26 115.145 115.145 118.589 -3.444 18152 109 1 . 1 1 26 26 LYS HA H 26 4.559 4.559 4.447 0.112 18152 110 1 . 1 1 26 26 LYS C C 26 173.961 173.961 174.339 -0.378 18152 111 1 . 1 1 26 26 LYS CA C 26 53.788 53.788 54.702 -0.915 18152 112 1 . 1 1 26 26 LYS CB C 26 37.483 37.483 36.499 0.984 18152 113 1 . 1 1 26 26 LYS H H 26 6.765 6.765 8.197 -1.432 18152 114 1 . 1 1 27 27 LYS N N 27 119.758 119.758 119.366 0.392 18152 115 1 . 1 1 27 27 LYS HA H 27 5.452 5.452 5.221 0.231 18152 116 1 . 1 1 27 27 LYS C C 27 175.482 175.482 175.103 0.379 18152 117 1 . 1 1 27 27 LYS CA C 27 53.883 53.883 55.028 -1.145 18152 118 1 . 1 1 27 27 LYS CB C 27 35.855 35.855 35.984 -0.129 18152 119 1 . 1 1 27 27 LYS H H 27 7.885 7.885 7.933 -0.048 18152 120 1 . 1 1 28 28 PHE N N 28 119.077 119.077 120.910 -1.833 18152 121 1 . 1 1 28 28 PHE HA H 28 4.871 4.871 4.844 0.027 18152 122 1 . 1 1 28 28 PHE C C 28 175.477 175.477 174.333 1.145 18152 123 1 . 1 1 28 28 PHE CA C 28 56.100 56.100 56.878 -0.778 18152 124 1 . 1 1 28 28 PHE CB C 28 42.734 42.734 43.748 -1.014 18152 125 1 . 1 1 28 28 PHE H H 28 9.397 9.397 9.435 -0.038 18152 126 1 . 1 1 29 29 SER N N 29 121.189 121.189 118.034 3.155 18152 127 1 . 1 1 29 29 SER HA H 29 4.848 4.848 4.643 0.205 18152 128 1 . 1 1 29 29 SER C C 29 172.010 172.010 173.552 -1.542 18152 129 1 . 1 1 29 29 SER CA C 29 59.961 59.961 58.020 1.941 18152 130 1 . 1 1 29 29 SER CB C 29 64.433 64.433 63.732 0.701 18152 131 1 . 1 1 29 29 SER H H 29 9.010 9.010 8.792 0.218 18152 132 1 . 1 1 30 30 ILE N N 30 120.881 120.881 126.485 -5.604 18152 133 1 . 1 1 30 30 ILE HA H 30 4.942 4.942 4.312 0.630 18152 134 1 . 1 1 30 30 ILE C C 30 174.874 174.874 174.779 0.095 18152 135 1 . 1 1 30 30 ILE CA C 30 57.775 57.775 59.704 -1.929 18152 136 1 . 1 1 30 30 ILE CB C 30 38.001 38.001 37.905 0.096 18152 137 1 . 1 1 30 30 ILE H H 30 8.084 8.084 8.554 -0.470 18152 138 1 . 1 1 31 31 TYR N N 31 127.573 127.573 126.447 1.126 18152 139 1 . 1 1 31 31 TYR HA H 31 5.299 5.299 4.914 0.385 18152 140 1 . 1 1 31 31 TYR C C 31 174.806 174.806 175.596 -0.790 18152 141 1 . 1 1 31 31 TYR CA C 31 56.120 56.120 56.567 -0.447 18152 142 1 . 1 1 31 31 TYR CB C 31 41.139 41.139 40.834 0.305 18152 143 1 . 1 1 31 31 TYR H H 31 9.174 9.174 8.482 0.692 18152 144 1 . 1 1 32 32 TRP N N 32 121.993 121.993 124.652 -2.659 18152 145 1 . 1 1 32 32 TRP HA H 32 4.583 4.583 4.464 0.119 18152 146 1 . 1 1 32 32 TRP C C 32 175.194 175.194 175.975 -0.781 18152 147 1 . 1 1 32 32 TRP CA C 32 57.396 57.396 59.379 -1.983 18152 148 1 . 1 1 32 32 TRP CB C 32 29.670 29.670 30.579 -0.909 18152 149 1 . 1 1 32 32 TRP H H 32 9.007 9.007 9.021 -0.014 18152 150 1 . 1 1 33 33 GLY N N 33 120.470 120.470 113.150 7.320 18152 151 1 . 1 1 33 33 GLY C C 33 171.936 171.936 171.870 0.066 18152 152 1 . 1 1 33 33 GLY CA C 33 44.532 44.532 44.267 0.265 18152 153 1 . 1 1 33 33 GLY H H 33 7.758 7.758 7.435 0.323 18152 154 1 . 1 1 34 34 ALA N N 34 120.239 120.239 124.144 -3.905 18152 155 1 . 1 1 34 34 ALA HA H 34 4.447 4.447 4.473 -0.026 18152 156 1 . 1 1 34 34 ALA C C 34 176.174 176.174 176.009 0.165 18152 157 1 . 1 1 34 34 ALA CA C 34 49.913 49.913 51.194 -1.281 18152 158 1 . 1 1 34 34 ALA CB C 34 18.955 18.955 20.302 -1.347 18152 159 1 . 1 1 34 34 ALA H H 34 7.883 7.883 8.024 -0.141 18152 160 1 . 1 1 35 35 ASP N N 35 118.828 118.828 124.865 -6.037 18152 161 1 . 1 1 35 35 ASP HA H 35 4.450 4.450 4.678 -0.228 18152 162 1 . 1 1 35 35 ASP C C 35 175.990 175.990 176.324 -0.334 18152 163 1 . 1 1 35 35 ASP CA C 35 53.030 53.030 53.759 -0.729 18152 164 1 . 1 1 35 35 ASP CB C 35 41.508 41.508 42.027 -0.519 18152 165 1 . 1 1 35 35 ASP H H 35 7.944 7.944 8.298 -0.354 18152 166 1 . 1 1 36 36 ASP N N 36 121.051 121.051 123.446 -2.395 18152 167 1 . 1 1 36 36 ASP HA H 36 4.335 4.335 4.421 -0.086 18152 168 1 . 1 1 36 36 ASP C C 36 177.296 177.296 176.895 0.401 18152 169 1 . 1 1 36 36 ASP CA C 36 55.183 55.183 55.253 -0.071 18152 170 1 . 1 1 36 36 ASP CB C 36 39.837 39.837 40.777 -0.940 18152 171 1 . 1 1 36 36 ASP H H 36 8.509 8.509 8.585 -0.076 18152 172 1 . 1 1 37 37 ALA N N 37 119.568 119.568 121.701 -2.133 18152 173 1 . 1 1 37 37 ALA HA H 37 4.060 4.060 4.191 -0.131 18152 174 1 . 1 1 37 37 ALA C C 37 179.598 179.598 177.929 1.669 18152 175 1 . 1 1 37 37 ALA CA C 37 53.967 53.967 53.650 0.317 18152 176 1 . 1 1 37 37 ALA CB C 37 18.009 18.009 18.778 -0.769 18152 177 1 . 1 1 37 37 ALA H H 37 8.169 8.169 7.977 0.192 18152 178 1 . 1 1 38 38 THR HA H 38 3.850 3.850 4.286 -0.436 18152 179 1 . 1 1 38 38 THR CA C 38 68.437 68.437 61.587 6.850 18152 180 1 . 1 1 38 38 THR CB C 38 72.916 72.916 69.553 3.363 18152 181 1 . 1 1 38 38 THR H H 38 7.621 7.621 7.547 0.074 18152 182 1 . 1 1 42 42 GLY N N 42 106.310 106.310 107.410 -1.100 18152 183 1 . 1 1 42 42 GLY CA C 42 46.480 46.480 45.223 1.257 18152 184 1 . 1 1 43 43 VAL N N 43 121.961 121.961 120.094 1.867 18152 185 1 . 1 1 43 43 VAL HA H 43 4.481 4.481 4.753 -0.272 18152 186 1 . 1 1 43 43 VAL C C 43 174.308 174.308 174.698 -0.390 18152 187 1 . 1 1 43 43 VAL CA C 43 61.079 61.079 60.631 0.448 18152 188 1 . 1 1 43 43 VAL CB C 43 32.911 32.911 32.244 0.667 18152 189 1 . 1 1 43 43 VAL H H 43 8.247 8.247 7.617 0.630 18152 190 1 . 1 1 44 44 GLY N N 44 114.325 114.325 113.591 0.734 18152 191 1 . 1 1 44 44 GLY C C 44 172.465 172.465 171.844 0.621 18152 192 1 . 1 1 44 44 GLY CA C 44 43.458 43.458 43.739 -0.281 18152 193 1 . 1 1 44 44 GLY H H 44 9.063 9.063 8.303 0.760 18152 194 1 . 1 1 45 45 MET N N 45 125.031 125.031 121.843 3.188 18152 195 1 . 1 1 45 45 MET HA H 45 4.742 4.742 5.152 -0.410 18152 196 1 . 1 1 45 45 MET C C 45 173.873 173.873 174.268 -0.395 18152 197 1 . 1 1 45 45 MET CA C 45 54.084 54.084 53.611 0.473 18152 198 1 . 1 1 45 45 MET CB C 45 34.548 34.548 35.379 -0.831 18152 199 1 . 1 1 45 45 MET H H 45 8.966 8.966 8.899 0.067 18152 200 1 . 1 1 46 46 PHE N N 46 127.637 127.637 126.649 0.988 18152 201 1 . 1 1 46 46 PHE HA H 46 3.611 3.611 4.284 -0.673 18152 202 1 . 1 1 46 46 PHE C C 46 175.023 175.023 174.215 0.808 18152 203 1 . 1 1 46 46 PHE CA C 46 59.286 59.286 58.707 0.579 18152 204 1 . 1 1 46 46 PHE CB C 46 40.644 40.644 39.936 0.709 18152 205 1 . 1 1 46 46 PHE H H 46 8.790 8.790 8.316 0.474 18152 206 1 . 1 1 47 47 VAL N N 47 130.695 130.695 127.279 3.416 18152 207 1 . 1 1 47 47 VAL HA H 47 3.663 3.663 3.958 -0.295 18152 208 1 . 1 1 47 47 VAL C C 47 174.235 174.235 174.224 0.011 18152 209 1 . 1 1 47 47 VAL CA C 47 61.455 61.455 61.255 0.200 18152 210 1 . 1 1 47 47 VAL CB C 47 32.002 32.002 32.638 -0.636 18152 211 1 . 1 1 47 47 VAL H H 47 7.942 7.942 7.485 0.457 18152 212 1 . 1 1 48 48 SER N N 48 120.391 120.391 122.580 -2.189 18152 213 1 . 1 1 48 48 SER HA H 48 4.626 4.626 4.645 -0.019 18152 214 1 . 1 1 48 48 SER C C 48 173.167 173.167 173.256 -0.089 18152 215 1 . 1 1 48 48 SER CA C 48 57.384 57.384 57.254 0.130 18152 216 1 . 1 1 48 48 SER CB C 48 65.720 65.720 65.709 0.011 18152 217 1 . 1 1 48 48 SER H H 48 7.971 7.971 8.546 -0.575 18152 218 1 . 1 1 49 49 ASP N N 49 117.498 117.498 120.547 -3.049 18152 219 1 . 1 1 49 49 ASP HA H 49 4.603 4.603 4.600 0.003 18152 220 1 . 1 1 49 49 ASP C C 49 174.539 174.539 176.897 -2.358 18152 221 1 . 1 1 49 49 ASP CA C 49 55.222 55.222 55.951 -0.730 18152 222 1 . 1 1 49 49 ASP CB C 49 40.206 40.206 41.032 -0.826 18152 223 1 . 1 1 49 49 ASP H H 49 8.701 8.701 8.763 -0.062 18152 224 1 . 1 1 50 50 VAL N N 50 109.465 109.465 111.595 -2.130 18152 225 1 . 1 1 50 50 VAL HA H 50 4.455 4.455 4.363 0.092 18152 226 1 . 1 1 50 50 VAL C C 50 174.487 174.487 175.878 -1.391 18152 227 1 . 1 1 50 50 VAL CA C 50 60.840 60.840 62.776 -1.936 18152 228 1 . 1 1 50 50 VAL CB C 50 32.067 32.067 32.594 -0.527 18152 229 1 . 1 1 50 50 VAL H H 50 7.770 7.770 7.543 0.227 18152 230 1 . 1 1 51 51 THR N N 51 110.572 110.572 113.879 -3.307 18152 231 1 . 1 1 51 51 THR HA H 51 5.293 5.293 4.549 0.744 18152 232 1 . 1 1 51 51 THR C C 51 174.591 174.591 174.752 -0.161 18152 233 1 . 1 1 51 51 THR CA C 51 58.487 58.487 61.547 -3.060 18152 234 1 . 1 1 51 51 THR CB C 51 71.674 71.674 69.969 1.705 18152 235 1 . 1 1 51 51 THR H H 51 7.095 7.095 7.686 -0.591 18152 236 1 . 1 1 52 52 THR N N 52 109.706 109.706 116.498 -6.792 18152 237 1 . 1 1 52 52 THR HA H 52 4.988 4.988 4.865 0.123 18152 238 1 . 1 1 52 52 THR C C 52 177.060 177.060 173.264 3.796 18152 239 1 . 1 1 52 52 THR CA C 52 59.777 59.777 60.418 -0.641 18152 240 1 . 1 1 52 52 THR CB C 52 72.911 72.911 71.541 1.370 18152 241 1 . 1 1 52 52 THR H H 52 8.836 8.836 9.000 -0.164 18152 242 1 . 1 1 53 53 THR N N 53 113.970 113.970 114.204 -0.234 18152 243 1 . 1 1 53 53 THR HA H 53 4.601 4.601 4.874 -0.273 18152 244 1 . 1 1 53 53 THR C C 53 176.085 176.085 173.385 2.700 18152 245 1 . 1 1 53 53 THR CA C 53 60.920 60.920 58.541 2.379 18152 246 1 . 1 1 53 53 THR CB C 53 67.192 67.192 69.894 -2.702 18152 247 1 . 1 1 53 53 THR H H 53 8.857 8.857 8.333 0.524 18152 248 1 . 1 1 54 54 PRO HA H 54 4.023 4.023 4.520 -0.497 18152 249 1 . 1 1 54 54 PRO CA C 54 64.658 64.658 62.753 1.905 18152 250 1 . 1 1 54 54 PRO CB C 54 29.665 29.665 30.288 -0.623 18152 251 1 . 1 1 55 55 SER N N 55 105.932 105.932 116.218 -10.286 18152 252 1 . 1 1 55 55 SER HA H 55 4.448 4.448 4.239 0.210 18152 253 1 . 1 1 55 55 SER C C 55 176.253 176.253 173.845 2.408 18152 254 1 . 1 1 55 55 SER CA C 55 58.086 58.086 57.578 0.508 18152 255 1 . 1 1 55 55 SER CB C 55 62.950 62.950 64.433 -1.483 18152 256 1 . 1 1 55 55 SER H H 55 6.879 6.879 7.881 -1.002 18152 257 1 . 1 1 56 56 GLY N N 56 109.826 109.826 109.081 0.745 18152 258 1 . 1 1 56 56 GLY C C 56 175.832 175.832 174.097 1.735 18152 259 1 . 1 1 56 56 GLY CA C 56 45.213 45.213 45.403 -0.190 18152 260 1 . 1 1 56 56 GLY H H 56 7.733 7.733 7.383 0.350 18152 261 1 . 1 1 57 57 GLY N N 57 105.805 105.805 110.706 -4.901 18152 262 1 . 1 1 57 57 GLY C C 57 172.905 172.905 173.494 -0.589 18152 263 1 . 1 1 57 57 GLY CA C 57 46.480 46.480 45.565 0.915 18152 264 1 . 1 1 57 57 GLY H H 57 7.481 7.481 8.604 -1.123 18152 265 1 . 1 1 58 58 GLY N N 58 109.086 109.086 109.359 -0.274 18152 266 1 . 1 1 58 58 GLY C C 58 172.807 172.807 172.629 0.178 18152 267 1 . 1 1 58 58 GLY CA C 58 43.642 43.642 44.485 -0.843 18152 268 1 . 1 1 58 58 GLY H H 58 7.549 7.549 7.855 -0.306 18152 269 1 . 1 1 59 59 HIS N N 59 127.776 127.776 122.090 5.686 18152 270 1 . 1 1 59 59 HIS HA H 59 5.162 5.162 4.829 0.333 18152 271 1 . 1 1 59 59 HIS C C 59 174.930 174.930 174.371 0.559 18152 272 1 . 1 1 59 59 HIS CA C 59 52.820 52.820 55.116 -2.296 18152 273 1 . 1 1 59 59 HIS CB C 59 30.250 30.250 30.336 -0.086 18152 274 1 . 1 1 59 59 HIS H H 59 9.517 9.517 8.871 0.646 18152 275 1 . 1 1 60 60 THR N N 60 127.768 127.768 125.315 2.453 18152 276 1 . 1 1 60 60 THR HA H 60 4.870 4.870 5.026 -0.156 18152 277 1 . 1 1 60 60 THR C C 60 171.847 171.847 173.104 -1.257 18152 278 1 . 1 1 60 60 THR CA C 60 61.358 61.358 61.873 -0.515 18152 279 1 . 1 1 60 60 THR CB C 60 69.821 69.821 69.930 -0.109 18152 280 1 . 1 1 60 60 THR H H 60 9.769 9.769 9.228 0.541 18152 281 1 . 1 1 61 61 VAL N N 61 126.493 126.493 127.683 -1.190 18152 282 1 . 1 1 61 61 VAL HA H 61 4.641 4.641 4.904 -0.263 18152 283 1 . 1 1 61 61 VAL C C 61 173.794 173.794 174.466 -0.672 18152 284 1 . 1 1 61 61 VAL CA C 61 59.808 59.808 60.916 -1.108 18152 285 1 . 1 1 61 61 VAL CB C 61 33.334 33.334 33.780 -0.446 18152 286 1 . 1 1 61 61 VAL H H 61 8.534 8.534 8.638 -0.104 18152 287 1 . 1 1 62 62 LEU N N 62 126.342 126.342 128.237 -1.895 18152 288 1 . 1 1 62 62 LEU HA H 62 5.345 5.345 5.106 0.239 18152 289 1 . 1 1 62 62 LEU C C 62 175.554 175.554 175.406 0.148 18152 290 1 . 1 1 62 62 LEU CA C 62 51.143 51.143 53.143 -2.000 18152 291 1 . 1 1 62 62 LEU CB C 62 43.344 43.344 45.142 -1.798 18152 292 1 . 1 1 62 62 LEU H H 62 9.284 9.284 9.418 -0.134 18152 293 1 . 1 1 63 63 SER N N 63 116.370 116.370 116.528 -0.158 18152 294 1 . 1 1 63 63 SER HA H 63 5.328 5.328 5.701 -0.373 18152 295 1 . 1 1 63 63 SER C C 63 174.576 174.576 173.471 1.105 18152 296 1 . 1 1 63 63 SER CA C 63 54.893 54.893 56.318 -1.425 18152 297 1 . 1 1 63 63 SER CB C 63 64.901 64.901 65.696 -0.795 18152 298 1 . 1 1 63 63 SER H H 63 9.117 9.117 8.797 0.320 18152 299 1 . 1 1 64 64 GLY N N 64 111.783 111.783 111.127 0.656 18152 300 1 . 1 1 64 64 GLY C C 64 173.058 173.058 171.838 1.220 18152 301 1 . 1 1 64 64 GLY CA C 64 45.547 45.547 44.903 0.644 18152 302 1 . 1 1 64 64 GLY H H 64 8.723 8.723 8.350 0.373 18152 303 1 . 1 1 74 74 GLY C C 74 173.703 173.703 175.624 -1.921 18152 304 1 . 1 1 74 74 GLY CA C 74 45.507 45.507 45.916 -0.409 18152 305 1 . 1 1 75 75 GLN N N 75 116.093 116.093 119.138 -3.045 18152 306 1 . 1 1 75 75 GLN HA H 75 4.229 4.229 4.219 0.010 18152 307 1 . 1 1 75 75 GLN C C 75 177.319 177.319 176.869 0.450 18152 308 1 . 1 1 75 75 GLN CA C 75 56.016 56.016 57.456 -1.440 18152 309 1 . 1 1 75 75 GLN CB C 75 29.310 29.310 29.574 -0.264 18152 310 1 . 1 1 75 75 GLN H H 75 7.598 7.598 7.768 -0.170 18152 311 1 . 1 1 76 76 LEU N N 76 117.894 117.894 118.327 -0.433 18152 312 1 . 1 1 76 76 LEU HA H 76 4.373 4.373 4.541 -0.168 18152 313 1 . 1 1 76 76 LEU C C 76 175.639 175.639 175.127 0.512 18152 314 1 . 1 1 76 76 LEU CA C 76 54.578 54.578 54.656 -0.078 18152 315 1 . 1 1 76 76 LEU CB C 76 41.720 41.720 40.709 1.011 18152 316 1 . 1 1 76 76 LEU H H 76 7.285 7.285 7.655 -0.370 18152 317 1 . 1 1 77 77 LYS N N 77 122.287 122.287 120.296 1.991 18152 318 1 . 1 1 77 77 LYS HA H 77 4.545 4.545 4.415 0.130 18152 319 1 . 1 1 77 77 LYS C C 77 175.553 175.553 175.967 -0.414 18152 320 1 . 1 1 77 77 LYS CA C 77 53.336 53.336 56.092 -2.756 18152 321 1 . 1 1 77 77 LYS CB C 77 36.380 36.380 34.291 2.089 18152 322 1 . 1 1 77 77 LYS H H 77 9.513 9.513 7.663 1.850 18152 323 1 . 1 1 78 78 GLU N N 78 118.949 118.949 121.280 -2.331 18152 324 1 . 1 1 78 78 GLU HA H 78 3.523 3.523 4.385 -0.862 18152 325 1 . 1 1 78 78 GLU C C 78 177.053 177.053 176.939 0.114 18152 326 1 . 1 1 78 78 GLU CA C 78 59.205 59.205 58.558 0.647 18152 327 1 . 1 1 78 78 GLU CB C 78 28.284 28.284 29.698 -1.415 18152 328 1 . 1 1 78 78 GLU H H 78 8.900 8.900 8.944 -0.044 18152 329 1 . 1 1 79 79 LYS N N 79 114.843 114.843 115.855 -1.012 18152 330 1 . 1 1 79 79 LYS HA H 79 3.751 3.751 4.293 -0.542 18152 331 1 . 1 1 79 79 LYS C C 79 176.434 176.434 176.390 0.044 18152 332 1 . 1 1 79 79 LYS CA C 79 59.231 59.231 56.627 2.604 18152 333 1 . 1 1 79 79 LYS CB C 79 29.657 29.657 32.223 -2.566 18152 334 1 . 1 1 79 79 LYS H H 79 8.909 8.909 7.941 0.968 18152 335 1 . 1 1 80 80 ASP N N 80 119.664 119.664 120.686 -1.022 18152 336 1 . 1 1 80 80 ASP HA H 80 4.946 4.946 4.647 0.299 18152 337 1 . 1 1 80 80 ASP C C 80 175.886 175.886 174.861 1.024 18152 338 1 . 1 1 80 80 ASP CA C 80 55.661 55.661 54.839 0.822 18152 339 1 . 1 1 80 80 ASP CB C 80 41.782 41.782 42.257 -0.475 18152 340 1 . 1 1 80 80 ASP H H 80 8.052 8.052 7.573 0.479 18152 341 1 . 1 1 81 81 THR N N 81 111.597 111.597 113.713 -2.116 18152 342 1 . 1 1 81 81 THR HA H 81 5.321 5.321 4.942 0.379 18152 343 1 . 1 1 81 81 THR C C 81 174.221 174.221 173.525 0.696 18152 344 1 . 1 1 81 81 THR CA C 81 61.103 61.103 60.991 0.112 18152 345 1 . 1 1 81 81 THR CB C 81 71.264 71.264 71.499 -0.235 18152 346 1 . 1 1 81 81 THR H H 81 8.083 8.083 8.216 -0.133 18152 347 1 . 1 1 82 82 LEU N N 82 120.358 120.358 125.736 -5.378 18152 348 1 . 1 1 82 82 LEU HA H 82 4.836 4.836 4.767 0.069 18152 349 1 . 1 1 82 82 LEU C C 82 174.850 174.850 175.764 -0.914 18152 350 1 . 1 1 82 82 LEU CA C 82 53.721 53.721 54.045 -0.324 18152 351 1 . 1 1 82 82 LEU CB C 82 45.655 45.655 43.704 1.951 18152 352 1 . 1 1 82 82 LEU H H 82 8.684 8.684 8.805 -0.121 18152 353 1 . 1 1 83 83 VAL N N 83 121.834 121.834 123.913 -2.079 18152 354 1 . 1 1 83 83 VAL HA H 83 5.269 5.269 5.316 -0.047 18152 355 1 . 1 1 83 83 VAL C C 83 174.766 174.766 175.199 -0.433 18152 356 1 . 1 1 83 83 VAL CA C 83 61.157 61.157 60.842 0.315 18152 357 1 . 1 1 83 83 VAL CB C 83 34.923 34.923 33.065 1.858 18152 358 1 . 1 1 83 83 VAL H H 83 8.670 8.670 9.036 -0.366 18152 359 1 . 1 1 84 84 LEU N N 84 129.811 129.811 129.299 0.512 18152 360 1 . 1 1 84 84 LEU HA H 84 5.647 5.647 5.247 0.400 18152 361 1 . 1 1 84 84 LEU C C 84 175.644 175.644 176.161 -0.517 18152 362 1 . 1 1 84 84 LEU CA C 84 53.160 53.160 53.526 -0.366 18152 363 1 . 1 1 84 84 LEU CB C 84 46.815 46.815 43.980 2.835 18152 364 1 . 1 1 84 84 LEU H H 84 10.025 10.025 9.463 0.562 18152 365 1 . 1 1 85 85 GLU N N 85 125.273 125.273 124.357 0.916 18152 366 1 . 1 1 85 85 GLU HA H 85 5.293 5.293 5.426 -0.133 18152 367 1 . 1 1 85 85 GLU C C 85 175.910 175.910 175.451 0.459 18152 368 1 . 1 1 85 85 GLU CA C 85 54.716 54.716 55.277 -0.561 18152 369 1 . 1 1 85 85 GLU CB C 85 30.904 30.904 31.400 -0.496 18152 370 1 . 1 1 85 85 GLU H H 85 9.117 9.117 8.982 0.135 18152 371 1 . 1 1 86 86 TYR N N 86 125.299 125.299 126.431 -1.132 18152 372 1 . 1 1 86 86 TYR HA H 86 4.825 4.825 4.785 0.040 18152 373 1 . 1 1 86 86 TYR C C 86 174.077 174.077 174.705 -0.628 18152 374 1 . 1 1 86 86 TYR CA C 86 57.516 57.516 57.861 -0.345 18152 375 1 . 1 1 86 86 TYR CB C 86 41.720 41.720 42.623 -0.903 18152 376 1 . 1 1 86 86 TYR H H 86 9.056 9.056 9.322 -0.267 18152 377 1 . 1 1 87 87 ASP N N 87 131.006 131.006 128.573 2.433 18152 378 1 . 1 1 87 87 ASP HA H 87 3.921 3.921 4.280 -0.359 18152 379 1 . 1 1 87 87 ASP C C 87 171.773 171.773 175.549 -3.776 18152 380 1 . 1 1 87 87 ASP CA C 87 54.613 54.613 55.152 -0.539 18152 381 1 . 1 1 87 87 ASP CB C 87 39.659 39.659 40.033 -0.374 18152 382 1 . 1 1 87 87 ASP H H 87 9.071 9.071 9.167 -0.096 18152 383 1 . 1 1 88 88 ASN N N 88 109.843 109.843 110.868 -1.025 18152 384 1 . 1 1 88 88 ASN HA H 88 4.159 4.159 4.335 -0.176 18152 385 1 . 1 1 88 88 ASN C C 88 173.995 173.995 174.178 -0.183 18152 386 1 . 1 1 88 88 ASN CA C 88 54.528 54.528 54.914 -0.386 18152 387 1 . 1 1 88 88 ASN CB C 88 37.383 37.383 38.121 -0.738 18152 388 1 . 1 1 88 88 ASN H H 88 8.613 8.613 8.814 -0.201 18152 389 1 . 1 1 89 89 LYS N N 89 119.021 119.021 118.767 0.254 18152 390 1 . 1 1 89 89 LYS HA H 89 4.714 4.714 4.888 -0.174 18152 391 1 . 1 1 89 89 LYS C C 89 174.644 174.644 175.527 -0.883 18152 392 1 . 1 1 89 89 LYS CA C 89 55.133 55.133 55.544 -0.411 18152 393 1 . 1 1 89 89 LYS CB C 89 36.460 36.460 35.894 0.566 18152 394 1 . 1 1 89 89 LYS H H 89 7.903 7.903 7.953 -0.050 18152 395 1 . 1 1 90 90 THR N N 90 117.141 117.141 119.043 -1.902 18152 396 1 . 1 1 90 90 THR HA H 90 4.819 4.819 5.361 -0.542 18152 397 1 . 1 1 90 90 THR C C 90 172.823 172.823 173.927 -1.104 18152 398 1 . 1 1 90 90 THR CA C 90 61.745 61.745 61.456 0.289 18152 399 1 . 1 1 90 90 THR CB C 90 69.709 69.709 69.902 -0.193 18152 400 1 . 1 1 90 90 THR H H 90 8.451 8.451 8.969 -0.518 18152 401 1 . 1 1 91 91 TYR N N 91 127.333 127.333 127.298 0.035 18152 402 1 . 1 1 91 91 TYR HA H 91 4.620 4.620 4.835 -0.214 18152 403 1 . 1 1 91 91 TYR C C 91 174.313 174.313 175.757 -1.444 18152 404 1 . 1 1 91 91 TYR CA C 91 56.764 56.764 56.834 -0.070 18152 405 1 . 1 1 91 91 TYR CB C 91 41.054 41.054 40.688 0.366 18152 406 1 . 1 1 91 91 TYR H H 91 9.552 9.552 9.888 -0.336 18152 407 1 . 1 1 92 92 THR N N 92 117.709 117.709 119.844 -2.135 18152 408 1 . 1 1 92 92 THR HA H 92 4.941 4.941 4.738 0.203 18152 409 1 . 1 1 92 92 THR C C 92 172.464 172.464 173.440 -0.976 18152 410 1 . 1 1 92 92 THR CA C 92 61.320 61.320 61.807 -0.486 18152 411 1 . 1 1 92 92 THR CB C 92 69.546 69.546 68.883 0.663 18152 412 1 . 1 1 92 92 THR H H 92 8.705 8.705 9.180 -0.475 18152 413 1 . 1 1 93 93 TYR N N 93 122.946 122.946 126.294 -3.348 18152 414 1 . 1 1 93 93 TYR HA H 93 5.431 5.431 5.392 0.039 18152 415 1 . 1 1 93 93 TYR C C 93 174.846 174.846 175.269 -0.423 18152 416 1 . 1 1 93 93 TYR CA C 93 55.804 55.804 56.769 -0.965 18152 417 1 . 1 1 93 93 TYR CB C 93 42.627 42.627 42.242 0.385 18152 418 1 . 1 1 93 93 TYR H H 93 9.381 9.381 9.626 -0.245 18152 419 1 . 1 1 94 94 GLU N N 94 121.240 121.240 120.997 0.243 18152 420 1 . 1 1 94 94 GLU HA H 94 4.901 4.901 5.021 -0.120 18152 421 1 . 1 1 94 94 GLU C C 94 177.060 177.060 175.618 1.442 18152 422 1 . 1 1 94 94 GLU CA C 94 54.073 54.073 54.054 0.019 18152 423 1 . 1 1 94 94 GLU CB C 94 33.787 33.787 34.086 -0.299 18152 424 1 . 1 1 94 94 GLU H H 94 9.100 9.100 9.264 -0.164 18152 425 1 . 1 1 95 95 ILE N N 95 128.525 128.525 126.837 1.688 18152 426 1 . 1 1 95 95 ILE HA H 95 3.737 3.737 4.164 -0.427 18152 427 1 . 1 1 95 95 ILE C C 95 176.261 176.261 176.685 -0.424 18152 428 1 . 1 1 95 95 ILE CA C 95 64.664 64.664 62.853 1.811 18152 429 1 . 1 1 95 95 ILE CB C 95 37.472 37.472 36.458 1.014 18152 430 1 . 1 1 95 95 ILE H H 95 9.293 9.293 8.480 0.813 18152 431 1 . 1 1 96 96 GLN N N 96 127.221 127.221 128.509 -1.288 18152 432 1 . 1 1 96 96 GLN HA H 96 4.831 4.831 4.392 0.439 18152 433 1 . 1 1 96 96 GLN C C 96 174.674 174.674 176.070 -1.396 18152 434 1 . 1 1 96 96 GLN CA C 96 54.632 54.632 57.242 -2.610 18152 435 1 . 1 1 96 96 GLN CB C 96 31.165 31.165 30.160 1.005 18152 436 1 . 1 1 96 96 GLN H H 96 10.106 10.106 8.582 1.524 18152 437 1 . 1 1 97 97 LYS N N 97 120.717 120.717 118.304 2.413 18152 438 1 . 1 1 97 97 LYS HA H 97 4.658 4.658 4.632 0.026 18152 439 1 . 1 1 97 97 LYS C C 97 173.200 173.200 174.191 -0.991 18152 440 1 . 1 1 97 97 LYS CA C 97 56.528 56.528 55.859 0.669 18152 441 1 . 1 1 97 97 LYS CB C 97 36.462 36.462 35.295 1.167 18152 442 1 . 1 1 97 97 LYS H H 97 7.958 7.958 7.647 0.311 18152 443 1 . 1 1 98 98 ILE N N 98 125.089 125.089 123.874 1.215 18152 444 1 . 1 1 98 98 ILE HA H 98 5.221 5.221 4.698 0.523 18152 445 1 . 1 1 98 98 ILE C C 98 175.821 175.821 175.716 0.105 18152 446 1 . 1 1 98 98 ILE CA C 98 60.078 60.078 59.840 0.238 18152 447 1 . 1 1 98 98 ILE CB C 98 42.082 42.082 39.660 2.422 18152 448 1 . 1 1 98 98 ILE H H 98 8.458 8.458 8.545 -0.087 18152 449 1 . 1 1 99 99 TRP N N 99 129.003 129.003 126.669 2.334 18152 450 1 . 1 1 99 99 TRP HA H 99 4.661 4.661 4.964 -0.303 18152 451 1 . 1 1 99 99 TRP C C 99 170.353 170.353 172.840 -2.487 18152 452 1 . 1 1 99 99 TRP CA C 99 56.388 56.388 55.816 0.572 18152 453 1 . 1 1 99 99 TRP CB C 99 31.158 31.158 30.499 0.659 18152 454 1 . 1 1 99 99 TRP H H 99 9.291 9.291 8.135 1.156 18152 455 1 . 1 1 100 100 ILE N N 100 117.739 117.739 120.059 -2.320 18152 456 1 . 1 1 100 100 ILE HA H 100 4.616 4.616 4.746 -0.130 18152 457 1 . 1 1 100 100 ILE C C 100 176.258 176.258 175.362 0.896 18152 458 1 . 1 1 100 100 ILE CA C 100 58.973 58.973 60.156 -1.183 18152 459 1 . 1 1 100 100 ILE CB C 100 40.734 40.734 40.946 -0.212 18152 460 1 . 1 1 100 100 ILE H H 100 7.778 7.778 8.360 -0.582 18152 461 1 . 1 1 101 101 THR N N 101 120.676 120.676 119.843 0.833 18152 462 1 . 1 1 101 101 THR HA H 101 4.755 4.755 4.762 -0.007 18152 463 1 . 1 1 101 101 THR C C 101 172.069 172.069 172.917 -0.848 18152 464 1 . 1 1 101 101 THR CA C 101 57.557 57.557 59.425 -1.868 18152 465 1 . 1 1 101 101 THR CB C 101 70.656 70.656 70.989 -0.333 18152 466 1 . 1 1 101 101 THR H H 101 8.587 8.587 8.698 -0.111 18152 467 1 . 1 1 102 102 HIS N N 102 119.885 119.885 120.300 -0.415 18152 468 1 . 1 1 102 102 HIS HA H 102 5.401 5.401 4.642 0.759 18152 469 1 . 1 1 102 102 HIS C C 102 176.781 176.781 176.672 0.109 18152 470 1 . 1 1 102 102 HIS CA C 102 54.482 54.482 57.294 -2.812 18152 471 1 . 1 1 102 102 HIS CB C 102 31.240 31.240 30.729 0.511 18152 472 1 . 1 1 102 102 HIS H H 102 8.194 8.194 8.655 -0.461 18152 473 1 . 1 1 103 103 ALA N N 103 121.632 121.632 125.741 -4.109 18152 474 1 . 1 1 103 103 ALA HA H 103 3.710 3.710 4.078 -0.368 18152 475 1 . 1 1 103 103 ALA C C 103 177.587 177.587 177.365 0.222 18152 476 1 . 1 1 103 103 ALA CA C 103 54.899 54.899 54.202 0.697 18152 477 1 . 1 1 103 103 ALA CB C 103 17.981 17.981 18.988 -1.007 18152 478 1 . 1 1 103 103 ALA H H 103 8.405 8.405 8.669 -0.264 18152 479 1 . 1 1 104 104 ASP N N 104 114.513 114.513 116.037 -1.524 18152 480 1 . 1 1 104 104 ASP HA H 104 4.603 4.603 4.649 -0.046 18152 481 1 . 1 1 104 104 ASP C C 104 175.283 175.283 175.385 -0.102 18152 482 1 . 1 1 104 104 ASP CA C 104 53.070 53.070 53.643 -0.573 18152 483 1 . 1 1 104 104 ASP CB C 104 40.034 40.034 40.785 -0.751 18152 484 1 . 1 1 104 104 ASP H H 104 8.314 8.314 8.096 0.218 18152 485 1 . 1 1 105 105 ASP N N 105 119.184 119.184 121.136 -1.952 18152 486 1 . 1 1 105 105 ASP HA H 105 4.170 4.170 4.699 -0.529 18152 487 1 . 1 1 105 105 ASP C C 105 177.674 177.674 177.049 0.625 18152 488 1 . 1 1 105 105 ASP CA C 105 54.268 54.268 53.422 0.846 18152 489 1 . 1 1 105 105 ASP CB C 105 39.846 39.846 41.037 -1.191 18152 490 1 . 1 1 105 105 ASP H H 105 7.043 7.043 7.656 -0.613 18152 491 1 . 1 1 106 106 ARG N N 106 127.998 127.998 126.811 1.187 18152 492 1 . 1 1 106 106 ARG HA H 106 4.368 4.368 4.077 0.291 18152 493 1 . 1 1 106 106 ARG C C 106 177.709 177.709 177.864 -0.155 18152 494 1 . 1 1 106 106 ARG CA C 106 55.888 55.888 58.706 -2.818 18152 495 1 . 1 1 106 106 ARG CB C 106 29.264 29.264 29.641 -0.377 18152 496 1 . 1 1 106 106 ARG H H 106 8.921 8.921 8.164 0.757 18152 497 1 . 1 1 107 107 THR N N 107 111.880 111.880 112.777 -0.897 18152 498 1 . 1 1 107 107 THR HA H 107 4.139 4.139 4.046 0.093 18152 499 1 . 1 1 107 107 THR C C 107 173.548 173.548 175.437 -1.889 18152 500 1 . 1 1 107 107 THR CA C 107 62.350 62.350 65.089 -2.739 18152 501 1 . 1 1 107 107 THR CB C 107 68.935 68.935 68.271 0.664 18152 502 1 . 1 1 107 107 THR H H 107 8.857 8.857 8.224 0.633 18152 503 1 . 1 1 108 108 VAL N N 108 118.971 118.971 114.982 3.989 18152 504 1 . 1 1 108 108 VAL HA H 108 3.942 3.942 4.364 -0.422 18152 505 1 . 1 1 108 108 VAL C C 108 176.853 176.853 175.601 1.252 18152 506 1 . 1 1 108 108 VAL CA C 108 63.878 63.878 62.880 0.998 18152 507 1 . 1 1 108 108 VAL CB C 108 32.470 32.470 32.916 -0.446 18152 508 1 . 1 1 108 108 VAL H H 108 6.811 6.811 7.472 -0.661 18152 509 1 . 1 1 109 109 ILE N N 109 120.334 120.334 118.984 1.350 18152 510 1 . 1 1 109 109 ILE HA H 109 3.438 3.438 4.234 -0.796 18152 511 1 . 1 1 109 109 ILE C C 109 173.191 173.191 175.988 -2.797 18152 512 1 . 1 1 109 109 ILE CA C 109 60.963 60.963 60.021 0.942 18152 513 1 . 1 1 109 109 ILE CB C 109 33.933 33.933 36.929 -2.996 18152 514 1 . 1 1 109 109 ILE H H 109 8.053 8.053 8.081 -0.028 18152 515 1 . 1 1 110 110 ILE N N 110 118.981 118.981 118.676 0.305 18152 516 1 . 1 1 110 110 ILE HA H 110 4.542 4.542 4.431 0.111 18152 517 1 . 1 1 110 110 ILE C C 110 174.405 174.405 174.693 -0.288 18152 518 1 . 1 1 110 110 ILE CA C 110 57.932 57.932 59.034 -1.102 18152 519 1 . 1 1 110 110 ILE CB C 110 42.146 42.146 38.570 3.576 18152 520 1 . 1 1 110 110 ILE H H 110 6.877 6.877 7.659 -0.782 18152 521 1 . 1 1 111 111 LYS N N 111 123.307 123.307 119.835 3.472 18152 522 1 . 1 1 111 111 LYS HA H 111 4.609 4.609 4.749 -0.140 18152 523 1 . 1 1 111 111 LYS C C 111 176.528 176.528 176.022 0.506 18152 524 1 . 1 1 111 111 LYS CA C 111 56.695 56.695 55.475 1.220 18152 525 1 . 1 1 111 111 LYS CB C 111 33.092 33.092 33.946 -0.854 18152 526 1 . 1 1 111 111 LYS H H 111 8.492 8.492 8.110 0.382 18152 527 1 . 1 1 112 112 LYS N N 112 121.425 121.425 123.523 -2.098 18152 528 1 . 1 1 112 112 LYS HA H 112 4.706 4.706 4.465 0.241 18152 529 1 . 1 1 112 112 LYS C C 112 175.996 175.996 175.904 0.092 18152 530 1 . 1 1 112 112 LYS CA C 112 53.271 53.271 55.166 -1.895 18152 531 1 . 1 1 112 112 LYS CB C 112 36.089 36.089 34.639 1.450 18152 532 1 . 1 1 112 112 LYS H H 112 8.351 8.351 8.699 -0.348 18152 533 1 . 1 1 113 113 GLU N N 113 119.533 119.533 121.432 -1.899 18152 534 1 . 1 1 113 113 GLU HA H 113 4.372 4.372 4.288 0.084 18152 535 1 . 1 1 113 113 GLU C C 113 174.477 174.477 175.685 -1.208 18152 536 1 . 1 1 113 113 GLU CA C 113 55.175 55.175 56.534 -1.359 18152 537 1 . 1 1 113 113 GLU CB C 113 29.097 29.097 30.070 -0.973 18152 538 1 . 1 1 113 113 GLU H H 113 8.815 8.815 8.761 0.054 18152 539 1 . 1 1 114 114 GLU N N 114 117.843 117.843 117.912 -0.069 18152 540 1 . 1 1 114 114 GLU HA H 114 4.701 4.701 4.687 0.014 18152 541 1 . 1 1 114 114 GLU C C 114 172.378 172.378 173.972 -1.594 18152 542 1 . 1 1 114 114 GLU CA C 114 52.633 52.633 53.086 -0.453 18152 543 1 . 1 1 114 114 GLU CB C 114 30.487 30.487 30.604 -0.117 18152 544 1 . 1 1 114 114 GLU H H 114 7.426 7.426 7.684 -0.258 18152 545 1 . 1 1 115 115 PRO HA H 115 4.725 4.725 4.949 -0.224 18152 546 1 . 1 1 115 115 PRO CA C 115 62.352 62.352 63.017 -0.665 18152 547 1 . 1 1 115 115 PRO CB C 115 30.706 30.706 31.237 -0.531 18152 548 1 . 1 1 116 116 ILE N N 116 130.464 130.464 123.860 6.604 18152 549 1 . 1 1 116 116 ILE HA H 116 4.785 4.785 4.905 -0.120 18152 550 1 . 1 1 116 116 ILE C C 116 172.992 172.992 174.408 -1.416 18152 551 1 . 1 1 116 116 ILE CA C 116 56.976 56.976 58.752 -1.776 18152 552 1 . 1 1 116 116 ILE CB C 116 41.420 41.420 41.671 -0.252 18152 553 1 . 1 1 116 116 ILE H H 116 7.830 7.830 8.356 -0.526 18152 554 1 . 1 1 117 117 LEU N N 117 128.504 128.504 129.236 -0.732 18152 555 1 . 1 1 117 117 LEU HA H 117 5.307 5.307 5.140 0.167 18152 556 1 . 1 1 117 117 LEU C C 117 174.488 174.488 175.140 -0.652 18152 557 1 . 1 1 117 117 LEU CA C 117 52.062 52.062 53.195 -1.133 18152 558 1 . 1 1 117 117 LEU CB C 117 45.447 45.447 44.383 1.064 18152 559 1 . 1 1 117 117 LEU H H 117 8.838 8.838 8.968 -0.130 18152 560 1 . 1 1 118 118 THR N N 118 125.436 125.436 123.467 1.969 18152 561 1 . 1 1 118 118 THR HA H 118 5.417 5.417 4.970 0.447 18152 562 1 . 1 1 118 118 THR C C 118 173.169 173.169 172.721 0.448 18152 563 1 . 1 1 118 118 THR CA C 118 60.596 60.596 61.778 -1.182 18152 564 1 . 1 1 118 118 THR CB C 118 68.558 68.558 70.340 -1.782 18152 565 1 . 1 1 118 118 THR H H 118 8.938 8.938 9.170 -0.232 18152 566 1 . 1 1 119 119 LEU N N 119 128.310 128.310 130.142 -1.832 18152 567 1 . 1 1 119 119 LEU HA H 119 5.103 5.103 5.090 0.013 18152 568 1 . 1 1 119 119 LEU C C 119 174.404 174.404 174.767 -0.363 18152 569 1 . 1 1 119 119 LEU CA C 119 52.439 52.439 53.189 -0.750 18152 570 1 . 1 1 119 119 LEU CB C 119 44.373 44.373 44.894 -0.521 18152 571 1 . 1 1 119 119 LEU H H 119 9.280 9.280 8.951 0.329 18152 572 1 . 1 1 120 120 THR N N 120 117.635 117.635 120.724 -3.089 18152 573 1 . 1 1 120 120 THR HA H 120 5.590 5.590 5.585 0.005 18152 574 1 . 1 1 120 120 THR C C 120 172.735 172.735 174.103 -1.368 18152 575 1 . 1 1 120 120 THR CA C 120 57.360 57.360 59.832 -2.472 18152 576 1 . 1 1 120 120 THR CB C 120 70.136 70.136 70.344 -0.208 18152 577 1 . 1 1 120 120 THR H H 120 8.640 8.640 9.280 -0.640 18152 578 1 . 1 1 121 121 THR N N 121 116.149 116.149 119.813 -3.664 18152 579 1 . 1 1 121 121 THR HA H 121 4.766 4.766 5.304 -0.538 18152 580 1 . 1 1 121 121 THR C C 121 174.145 174.145 173.567 0.578 18152 581 1 . 1 1 121 121 THR CA C 121 59.550 59.550 60.140 -0.590 18152 582 1 . 1 1 121 121 THR CB C 121 71.701 71.701 71.583 0.118 18152 583 1 . 1 1 121 121 THR H H 121 8.374 8.374 8.732 -0.358 18152 584 1 . 1 1 123 123 TYR N N 123 121.847 121.847 119.910 1.937 18152 585 1 . 1 1 123 123 TYR H H 123 7.461 7.461 8.134 -0.673 18152 586 1 . 1 1 125 125 PHE N N 125 120.754 120.754 117.240 3.514 18152 587 1 . 1 1 125 125 PHE HA H 125 4.420 4.420 4.384 0.036 18152 588 1 . 1 1 125 125 PHE C C 125 176.083 176.083 176.042 0.041 18152 589 1 . 1 1 125 125 PHE CA C 125 58.918 58.918 59.644 -0.727 18152 590 1 . 1 1 125 125 PHE CB C 125 38.624 38.624 38.290 0.334 18152 591 1 . 1 1 125 125 PHE H H 125 7.334 7.334 8.423 -1.089 18152 592 1 . 1 1 126 126 ASP N N 126 114.938 114.938 118.116 -3.178 18152 593 1 . 1 1 126 126 ASP HA H 126 4.548 4.548 4.169 0.379 18152 594 1 . 1 1 126 126 ASP C C 126 175.285 175.285 175.969 -0.684 18152 595 1 . 1 1 126 126 ASP CA C 126 51.974 51.974 54.432 -2.458 18152 596 1 . 1 1 126 126 ASP CB C 126 39.454 39.454 40.113 -0.659 18152 597 1 . 1 1 126 126 ASP H H 126 8.179 8.179 7.372 0.807 18152 598 1 . 1 1 127 127 TYR N N 127 121.170 121.170 120.141 1.029 18152 599 1 . 1 1 127 127 TYR HA H 127 3.947 3.947 4.322 -0.375 18152 600 1 . 1 1 127 127 TYR C C 127 175.022 175.022 174.987 0.035 18152 601 1 . 1 1 127 127 TYR CA C 127 58.734 58.734 58.535 0.199 18152 602 1 . 1 1 127 127 TYR CB C 127 39.330 39.330 39.447 -0.117 18152 603 1 . 1 1 127 127 TYR H H 127 7.196 7.196 7.735 -0.539 18152 604 1 . 1 1 128 128 ILE N N 128 127.293 127.293 123.039 4.254 18152 605 1 . 1 1 128 128 ILE HA H 128 4.081 4.081 3.767 0.314 18152 606 1 . 1 1 128 128 ILE C C 128 174.579 174.579 175.858 -1.279 18152 607 1 . 1 1 128 128 ILE CA C 128 60.165 60.165 61.458 -1.293 18152 608 1 . 1 1 128 128 ILE CB C 128 37.120 37.120 36.457 0.663 18152 609 1 . 1 1 128 128 ILE H H 128 7.634 7.634 7.813 -0.179 18152 610 1 . 1 1 129 129 GLY N N 129 114.862 114.862 116.019 -1.157 18152 611 1 . 1 1 129 129 GLY C C 129 172.992 172.992 173.151 -0.159 18152 612 1 . 1 1 129 129 GLY CA C 129 43.458 43.458 44.824 -1.366 18152 613 1 . 1 1 129 129 GLY H H 129 8.150 8.150 8.240 -0.089 18152 614 1 . 1 1 130 130 ASP N N 130 122.165 122.165 124.119 -1.954 18152 615 1 . 1 1 130 130 ASP HA H 130 4.639 4.639 4.703 -0.064 18152 616 1 . 1 1 130 130 ASP C C 130 174.579 174.579 175.052 -0.473 18152 617 1 . 1 1 130 130 ASP CA C 130 53.344 53.344 53.086 0.258 18152 618 1 . 1 1 130 130 ASP CB C 130 39.979 39.979 41.609 -1.630 18152 619 1 . 1 1 130 130 ASP H H 130 8.541 8.541 8.401 0.140 18152 620 1 . 1 1 131 131 ALA N N 131 129.087 129.087 127.094 1.993 18152 621 1 . 1 1 131 131 ALA HA H 131 3.673 3.673 3.870 -0.197 18152 622 1 . 1 1 131 131 ALA C C 131 176.791 176.791 176.484 0.307 18152 623 1 . 1 1 131 131 ALA CA C 131 50.186 50.186 50.531 -0.345 18152 624 1 . 1 1 131 131 ALA CB C 131 17.692 17.692 18.311 -0.619 18152 625 1 . 1 1 131 131 ALA H H 131 8.280 8.280 8.213 0.067 18152 626 1 . 1 1 133 133 ASP N N 133 117.477 117.477 115.424 2.053 18152 627 1 . 1 1 133 133 ASP HA H 133 5.512 5.512 4.748 0.764 18152 628 1 . 1 1 133 133 ASP C C 133 175.988 175.988 175.013 0.975 18152 629 1 . 1 1 133 133 ASP CA C 133 53.067 53.067 53.037 0.030 18152 630 1 . 1 1 133 133 ASP CB C 133 45.102 45.102 42.726 2.376 18152 631 1 . 1 1 133 133 ASP H H 133 7.355 7.355 7.776 -0.421 18152 632 1 . 1 1 134 134 ARG N N 134 120.986 120.986 121.326 -0.340 18152 633 1 . 1 1 134 134 ARG HA H 134 4.871 4.871 4.638 0.233 18152 634 1 . 1 1 134 134 ARG C C 134 172.288 172.288 175.033 -2.745 18152 635 1 . 1 1 134 134 ARG CA C 134 53.958 53.958 54.484 -0.526 18152 636 1 . 1 1 134 134 ARG CB C 134 33.787 33.787 32.751 1.036 18152 637 1 . 1 1 134 134 ARG H H 134 9.308 9.308 8.862 0.446 18152 638 1 . 1 1 135 135 TYR N N 135 127.342 127.342 125.686 1.656 18152 639 1 . 1 1 135 135 TYR HA H 135 4.037 4.037 4.367 -0.330 18152 640 1 . 1 1 135 135 TYR C C 135 173.811 173.811 174.227 -0.416 18152 641 1 . 1 1 135 135 TYR CA C 135 57.419 57.419 59.229 -1.810 18152 642 1 . 1 1 135 135 TYR CB C 135 40.515 40.515 39.655 0.860 18152 643 1 . 1 1 135 135 TYR H H 135 8.867 8.867 8.672 0.195 18152 644 1 . 1 1 136 136 ILE N N 136 128.458 128.458 127.061 1.397 18152 645 1 . 1 1 136 136 ILE HA H 136 4.133 4.133 4.577 -0.444 18152 646 1 . 1 1 136 136 ILE C C 136 173.610 173.610 173.932 -0.322 18152 647 1 . 1 1 136 136 ILE CA C 136 58.968 58.968 58.782 0.186 18152 648 1 . 1 1 136 136 ILE CB C 136 40.998 40.998 38.869 2.129 18152 649 1 . 1 1 136 136 ILE H H 136 8.569 8.569 8.335 0.234 18152 650 1 . 1 1 137 137 ILE N N 137 123.623 123.623 128.314 -4.691 18152 651 1 . 1 1 137 137 ILE HA H 137 4.330 4.330 4.102 0.228 18152 652 1 . 1 1 137 137 ILE C C 137 173.524 173.524 174.080 -0.556 18152 653 1 . 1 1 137 137 ILE CA C 137 59.873 59.873 59.368 0.505 18152 654 1 . 1 1 137 137 ILE CB C 137 40.767 40.767 38.559 2.208 18152 655 1 . 1 1 137 137 ILE H H 137 8.263 8.263 8.882 -0.619 18152 656 1 . 1 1 138 138 GLU N N 138 127.009 127.009 129.317 -2.308 18152 657 1 . 1 1 138 138 GLU HA H 138 5.219 5.219 4.838 0.381 18152 658 1 . 1 1 138 138 GLU C C 138 175.383 175.383 174.773 0.610 18152 659 1 . 1 1 138 138 GLU CA C 138 54.895 54.895 54.853 0.042 18152 660 1 . 1 1 138 138 GLU CB C 138 33.904 33.904 32.537 1.367 18152 661 1 . 1 1 138 138 GLU H H 138 9.166 9.166 7.974 1.192 18152 662 1 . 1 1 139 139 ALA N N 139 132.785 132.785 127.707 5.078 18152 663 1 . 1 1 139 139 ALA HA H 139 5.231 5.231 5.334 -0.103 18152 664 1 . 1 1 139 139 ALA C C 139 173.789 173.789 175.111 -1.322 18152 665 1 . 1 1 139 139 ALA CA C 139 50.197 50.197 50.869 -0.672 18152 666 1 . 1 1 139 139 ALA CB C 139 24.262 24.262 23.383 0.879 18152 667 1 . 1 1 139 139 ALA H H 139 10.313 10.313 8.754 1.559 18152 668 1 . 1 1 140 140 LYS N N 140 120.672 120.672 122.501 -1.829 18152 669 1 . 1 1 140 140 LYS HA H 140 5.062 5.062 5.103 -0.041 18152 670 1 . 1 1 140 140 LYS C C 140 175.807 175.807 175.160 0.647 18152 671 1 . 1 1 140 140 LYS CA C 140 54.250 54.250 54.019 0.231 18152 672 1 . 1 1 140 140 LYS CB C 140 34.937 34.937 36.801 -1.864 18152 673 1 . 1 1 140 140 LYS H H 140 8.507 8.507 8.663 -0.156 18152 674 1 . 1 1 141 141 LEU N N 141 126.557 126.557 127.099 -0.542 18152 675 1 . 1 1 141 141 LEU HA H 141 4.107 4.107 4.036 0.071 18152 676 1 . 1 1 141 141 LEU C C 141 177.236 177.236 176.659 0.577 18152 677 1 . 1 1 141 141 LEU CA C 141 56.169 56.169 55.285 0.884 18152 678 1 . 1 1 141 141 LEU CB C 141 42.408 42.408 42.016 0.393 18152 679 1 . 1 1 141 141 LEU H H 141 7.560 7.560 8.330 -0.770 18152 680 1 . 1 1 142 142 THR N N 142 119.454 119.454 120.519 -1.065 18152 681 1 . 1 1 142 142 THR HA H 142 4.522 4.522 4.451 0.071 18152 682 1 . 1 1 142 142 THR C C 142 175.187 175.187 174.843 0.343 18152 683 1 . 1 1 142 142 THR CA C 142 60.915 60.915 61.880 -0.965 18152 684 1 . 1 1 142 142 THR CB C 142 69.490 69.490 70.285 -0.795 18152 685 1 . 1 1 142 142 THR H H 142 9.562 9.562 8.986 0.576 18152 686 1 . 1 1 143 143 GLY N N 143 109.946 109.946 109.412 0.534 18152 687 1 . 1 1 143 143 GLY C C 143 170.713 170.713 171.991 -1.278 18152 688 1 . 1 1 143 143 GLY CA C 143 45.254 45.254 44.187 1.067 18152 689 1 . 1 1 143 143 GLY H H 143 7.513 7.513 7.589 -0.076 18152 690 1 . 1 1 144 144 SER N N 144 112.778 112.778 114.555 -1.777 18152 691 1 . 1 1 144 144 SER HA H 144 5.059 5.059 5.005 0.054 18152 692 1 . 1 1 144 144 SER C C 144 173.178 173.178 172.354 0.824 18152 693 1 . 1 1 144 144 SER CA C 144 56.393 56.393 56.757 -0.364 18152 694 1 . 1 1 144 144 SER CB C 144 65.587 65.587 66.107 -0.520 18152 695 1 . 1 1 144 144 SER H H 144 7.877 7.877 7.856 0.021 18152 696 1 . 1 1 145 145 TYR N N 145 119.351 119.351 120.787 -1.436 18152 697 1 . 1 1 145 145 TYR HA H 145 4.755 4.755 4.703 0.052 18152 698 1 . 1 1 145 145 TYR C C 145 174.580 174.580 174.492 0.088 18152 699 1 . 1 1 145 145 TYR CA C 145 56.413 56.413 56.859 -0.446 18152 700 1 . 1 1 145 145 TYR CB C 145 40.096 40.096 42.708 -2.612 18152 701 1 . 1 1 145 145 TYR H H 145 8.374 8.374 8.968 -0.594 18152 702 1 . 1 1 146 146 SER N N 146 117.533 117.533 116.763 0.770 18152 703 1 . 1 1 146 146 SER HA H 146 4.564 4.564 4.686 -0.122 18152 704 1 . 1 1 146 146 SER CA C 146 58.000 58.000 57.188 0.811 18152 705 1 . 1 1 146 146 SER CB C 146 63.905 63.905 64.877 -0.972 18152 706 1 . 1 1 146 146 SER H H 146 8.502 8.502 8.530 -0.028 18152 stop_ save_