data_25852 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25852 _Entry.PDB_ID 2N8J 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 25852 _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 3 3 GLN N N 3 118.120 118.120 117.681 0.439 25852 2 1 1 . 1 1 3 3 GLN HA H 3 4.688 4.688 4.808 -0.120 25852 3 1 1 . 1 1 3 3 GLN CA C 3 53.500 53.500 54.434 -0.934 25852 4 1 1 . 1 1 3 3 GLN CB C 3 29.475 29.475 31.929 -2.454 25852 5 1 1 . 1 1 3 3 GLN H H 3 8.134 8.134 7.678 0.456 25852 6 1 1 . 1 1 4 4 LEU N N 4 121.407 121.407 121.010 0.397 25852 7 1 1 . 1 1 4 4 LEU HA H 4 4.460 4.460 4.941 -0.481 25852 8 1 1 . 1 1 4 4 LEU CA C 4 51.650 51.650 54.057 -2.407 25852 9 1 1 . 1 1 4 4 LEU CB C 4 40.715 40.715 42.909 -2.194 25852 10 1 1 . 1 1 4 4 LEU H H 4 8.202 8.202 9.108 -0.906 25852 11 1 1 . 1 1 5 5 THR N N 5 112.733 112.733 113.149 -0.416 25852 12 1 1 . 1 1 5 5 THR HA H 5 4.265 4.265 4.474 -0.209 25852 13 1 1 . 1 1 5 5 THR CA C 5 59.433 59.433 60.216 -0.783 25852 14 1 1 . 1 1 5 5 THR CB C 5 67.475 67.475 70.193 -2.718 25852 15 1 1 . 1 1 5 5 THR H H 5 8.691 8.691 8.190 0.501 25852 16 1 1 . 1 1 6 6 GLU N N 6 119.971 119.971 121.214 -1.243 25852 17 1 1 . 1 1 6 6 GLU HA H 6 3.854 3.854 4.085 -0.231 25852 18 1 1 . 1 1 6 6 GLU CA C 6 56.756 56.756 59.306 -2.550 25852 19 1 1 . 1 1 6 6 GLU CB C 6 26.508 26.508 29.297 -2.789 25852 20 1 1 . 1 1 6 6 GLU H H 6 8.953 8.953 8.636 0.317 25852 21 1 1 . 1 1 7 7 GLU N N 7 119.133 119.133 117.959 1.174 25852 22 1 1 . 1 1 7 7 GLU HA H 7 3.898 3.898 3.949 -0.051 25852 23 1 1 . 1 1 7 7 GLU CA C 7 56.756 56.756 59.306 -2.550 25852 24 1 1 . 1 1 7 7 GLU CB C 7 26.279 26.279 28.679 -2.400 25852 25 1 1 . 1 1 7 7 GLU H H 7 8.653 8.653 8.830 -0.177 25852 26 1 1 . 1 1 8 8 GLN N N 8 120.207 120.207 117.730 2.477 25852 27 1 1 . 1 1 8 8 GLN HA H 8 3.957 3.957 4.089 -0.132 25852 28 1 1 . 1 1 8 8 GLN CA C 8 57.099 57.099 58.374 -1.275 25852 29 1 1 . 1 1 8 8 GLN CB C 8 26.737 26.737 28.467 -1.730 25852 30 1 1 . 1 1 8 8 GLN H H 8 7.645 7.645 7.489 0.156 25852 31 1 1 . 1 1 9 9 ILE N N 9 118.171 118.171 120.229 -2.058 25852 32 1 1 . 1 1 9 9 ILE HA H 9 3.354 3.354 3.369 -0.015 25852 33 1 1 . 1 1 9 9 ILE CA C 9 62.714 62.714 62.355 0.359 25852 34 1 1 . 1 1 9 9 ILE CB C 9 35.216 35.216 36.161 -0.945 25852 35 1 1 . 1 1 9 9 ILE H H 9 8.153 8.153 7.352 0.801 25852 36 1 1 . 1 1 10 10 ALA N N 10 120.124 120.124 120.352 -0.228 25852 37 1 1 . 1 1 10 10 ALA HA H 10 3.966 3.966 4.122 -0.156 25852 38 1 1 . 1 1 10 10 ALA CA C 10 52.746 52.746 54.767 -2.021 25852 39 1 1 . 1 1 10 10 ALA CB C 10 15.165 15.165 19.048 -3.883 25852 40 1 1 . 1 1 10 10 ALA H H 10 7.835 7.835 8.130 -0.295 25852 41 1 1 . 1 1 11 11 GLU N N 11 119.983 119.983 115.347 4.636 25852 42 1 1 . 1 1 11 11 GLU HA H 11 3.904 3.904 4.959 -1.055 25852 43 1 1 . 1 1 11 11 GLU CA C 11 56.560 56.560 56.693 -0.133 25852 44 1 1 . 1 1 11 11 GLU CB C 11 27.425 27.425 31.590 -4.165 25852 45 1 1 . 1 1 11 11 GLU H H 11 7.706 7.706 7.725 -0.019 25852 46 1 1 . 1 1 12 12 PHE N N 12 119.907 119.907 120.318 -0.411 25852 47 1 1 . 1 1 12 12 PHE HA H 12 4.726 4.726 4.614 0.112 25852 48 1 1 . 1 1 12 12 PHE CA C 12 55.839 55.839 59.109 -3.270 25852 49 1 1 . 1 1 12 12 PHE CB C 12 33.955 33.955 38.796 -4.841 25852 50 1 1 . 1 1 12 12 PHE H H 12 8.728 8.728 9.208 -0.480 25852 51 1 1 . 1 1 13 13 LYS N N 13 121.208 121.208 119.903 1.305 25852 52 1 1 . 1 1 13 13 LYS HA H 13 3.904 3.904 3.753 0.151 25852 53 1 1 . 1 1 13 13 LYS CA C 13 57.290 57.290 58.718 -1.428 25852 54 1 1 . 1 1 13 13 LYS CB C 13 30.174 30.174 32.681 -2.507 25852 55 1 1 . 1 1 13 13 LYS H H 13 9.161 9.161 8.344 0.817 25852 56 1 1 . 1 1 14 14 GLU N N 14 120.226 120.226 120.838 -0.612 25852 57 1 1 . 1 1 14 14 GLU HA H 14 3.953 3.953 4.192 -0.239 25852 58 1 1 . 1 1 14 14 GLU CA C 14 56.460 56.460 58.683 -2.223 25852 59 1 1 . 1 1 14 14 GLU CB C 14 26.623 26.623 29.385 -2.762 25852 60 1 1 . 1 1 14 14 GLU H H 14 7.980 7.980 8.185 -0.205 25852 61 1 1 . 1 1 15 15 ALA N N 15 120.572 120.572 121.888 -1.316 25852 62 1 1 . 1 1 15 15 ALA HA H 15 4.170 4.170 4.154 0.016 25852 63 1 1 . 1 1 15 15 ALA CA C 15 52.750 52.750 54.804 -2.054 25852 64 1 1 . 1 1 15 15 ALA CB C 15 16.425 16.425 18.748 -2.323 25852 65 1 1 . 1 1 15 15 ALA H H 15 7.563 7.563 8.662 -1.099 25852 66 1 1 . 1 1 16 16 PHE N N 16 117.784 117.784 114.980 2.804 25852 67 1 1 . 1 1 16 16 PHE HA H 16 3.904 3.904 4.297 -0.393 25852 68 1 1 . 1 1 16 16 PHE CA C 16 59.540 59.540 59.176 0.364 25852 69 1 1 . 1 1 16 16 PHE CB C 16 36.820 36.820 39.766 -2.946 25852 70 1 1 . 1 1 16 16 PHE H H 16 8.453 8.453 7.361 1.092 25852 71 1 1 . 1 1 17 17 SER N N 17 110.774 110.774 115.355 -4.581 25852 72 1 1 . 1 1 17 17 SER HA H 17 4.086 4.086 3.878 0.208 25852 73 1 1 . 1 1 17 17 SER CA C 17 58.560 58.560 60.376 -1.816 25852 74 1 1 . 1 1 17 17 SER CB C 17 60.651 60.651 62.999 -2.349 25852 75 1 1 . 1 1 17 17 SER H H 17 8.351 8.351 7.840 0.511 25852 76 1 1 . 1 1 18 18 LEU N N 18 120.947 120.947 120.568 0.379 25852 77 1 1 . 1 1 18 18 LEU HA H 18 3.614 3.614 4.029 -0.415 25852 78 1 1 . 1 1 18 18 LEU CA C 18 55.839 55.839 57.912 -2.073 25852 79 1 1 . 1 1 18 18 LEU CB C 18 39.111 39.111 42.582 -3.471 25852 80 1 1 . 1 1 18 18 LEU H H 18 7.278 7.278 8.143 -0.865 25852 81 1 1 . 1 1 19 19 PHE N N 19 114.458 114.458 113.547 0.911 25852 82 1 1 . 1 1 19 19 PHE HA H 19 3.904 3.904 4.523 -0.619 25852 83 1 1 . 1 1 19 19 PHE CA C 19 56.870 56.870 57.683 -0.813 25852 84 1 1 . 1 1 19 19 PHE CB C 19 33.841 33.841 41.713 -7.872 25852 85 1 1 . 1 1 19 19 PHE H H 19 7.304 7.304 7.484 -0.180 25852 86 1 1 . 1 1 20 20 ASP N N 20 122.233 122.233 121.782 0.451 25852 87 1 1 . 1 1 20 20 ASP HA H 20 4.874 4.874 4.563 0.311 25852 88 1 1 . 1 1 20 20 ASP CA C 20 50.454 50.454 53.493 -3.039 25852 89 1 1 . 1 1 20 20 ASP CB C 20 37.622 37.622 38.812 -1.190 25852 90 1 1 . 1 1 20 20 ASP H H 20 7.233 7.233 7.868 -0.635 25852 91 1 1 . 1 1 21 21 LYS N N 21 123.433 123.433 119.616 3.817 25852 92 1 1 . 1 1 21 21 LYS HA H 21 3.771 3.771 4.152 -0.382 25852 93 1 1 . 1 1 21 21 LYS CA C 21 56.025 56.025 57.340 -1.315 25852 94 1 1 . 1 1 21 21 LYS CB C 21 29.601 29.601 32.401 -2.800 25852 95 1 1 . 1 1 21 21 LYS H H 21 8.007 8.007 7.872 0.135 25852 96 1 1 . 1 1 22 22 ASP N N 22 116.890 116.890 120.056 -3.166 25852 97 1 1 . 1 1 22 22 ASP HA H 22 4.400 4.400 4.518 -0.118 25852 98 1 1 . 1 1 22 22 ASP CA C 22 50.683 50.683 54.946 -4.263 25852 99 1 1 . 1 1 22 22 ASP CB C 22 37.049 37.049 41.121 -4.072 25852 100 1 1 . 1 1 22 22 ASP H H 22 8.641 8.641 8.234 0.407 25852 101 1 1 . 1 1 23 23 GLY N N 23 110.068 110.068 107.120 2.948 25852 102 1 1 . 1 1 23 23 GLY CA C 23 43.745 43.745 45.402 -1.657 25852 103 1 1 . 1 1 23 23 GLY H H 23 7.938 7.938 8.462 -0.524 25852 104 1 1 . 1 1 24 24 ASP N N 24 120.219 120.219 120.396 -0.177 25852 105 1 1 . 1 1 24 24 ASP HA H 24 4.367 4.367 4.751 -0.384 25852 106 1 1 . 1 1 24 24 ASP CA C 24 51.040 51.040 53.434 -2.394 25852 107 1 1 . 1 1 24 24 ASP CB C 24 37.438 37.438 40.889 -3.451 25852 108 1 1 . 1 1 24 24 ASP H H 24 8.723 8.723 8.106 0.617 25852 109 1 1 . 1 1 25 25 GLY N N 25 111.889 111.889 108.792 3.097 25852 110 1 1 . 1 1 25 25 GLY CA C 25 42.680 42.680 45.870 -3.190 25852 111 1 1 . 1 1 25 25 GLY H H 25 10.132 10.132 8.505 1.627 25852 112 1 1 . 1 1 26 26 THR N N 26 109.844 109.844 116.320 -6.476 25852 113 1 1 . 1 1 26 26 THR HA H 26 5.386 5.386 4.825 0.561 25852 114 1 1 . 1 1 26 26 THR CA C 26 56.950 56.950 60.452 -3.502 25852 115 1 1 . 1 1 26 26 THR CB C 26 70.234 70.234 71.780 -1.546 25852 116 1 1 . 1 1 26 26 THR H H 26 7.507 7.507 7.814 -0.307 25852 117 1 1 . 1 1 27 27 ILE N N 27 110.289 110.289 116.622 -6.333 25852 118 1 1 . 1 1 27 27 ILE HA H 27 3.891 3.891 4.447 -0.556 25852 119 1 1 . 1 1 27 27 ILE CA C 27 58.360 58.360 60.511 -2.151 25852 120 1 1 . 1 1 27 27 ILE CB C 27 35.559 35.559 38.749 -3.190 25852 121 1 1 . 1 1 27 27 ILE H H 27 8.191 8.191 7.946 0.245 25852 122 1 1 . 1 1 28 28 THR N N 28 110.507 110.507 115.038 -4.531 25852 123 1 1 . 1 1 28 28 THR HA H 28 4.895 4.895 4.233 0.662 25852 124 1 1 . 1 1 28 28 THR CA C 28 57.787 57.787 62.509 -4.722 25852 125 1 1 . 1 1 28 28 THR CB C 28 68.099 68.099 69.737 -1.638 25852 126 1 1 . 1 1 28 28 THR H H 28 8.265 8.265 8.210 0.055 25852 127 1 1 . 1 1 29 29 THR N N 29 112.331 112.331 114.934 -2.603 25852 128 1 1 . 1 1 29 29 THR HA H 29 3.941 3.941 4.140 -0.199 25852 129 1 1 . 1 1 29 29 THR CA C 29 63.840 63.840 65.001 -1.161 25852 130 1 1 . 1 1 29 29 THR CB C 29 65.807 65.807 68.670 -2.863 25852 131 1 1 . 1 1 29 29 THR H H 29 8.225 8.225 8.610 -0.385 25852 132 1 1 . 1 1 30 30 LYS N N 30 118.985 118.985 120.919 -1.934 25852 133 1 1 . 1 1 30 30 LYS HA H 30 3.965 3.965 4.023 -0.058 25852 134 1 1 . 1 1 30 30 LYS CA C 30 55.839 55.839 58.826 -2.987 25852 135 1 1 . 1 1 30 30 LYS CB C 30 29.372 29.372 31.858 -2.486 25852 136 1 1 . 1 1 30 30 LYS H H 30 7.559 7.559 8.600 -1.041 25852 137 1 1 . 1 1 31 31 GLU N N 31 117.233 117.233 115.204 2.029 25852 138 1 1 . 1 1 31 31 GLU HA H 31 3.965 3.965 4.113 -0.148 25852 139 1 1 . 1 1 31 31 GLU CA C 31 57.140 57.140 56.226 0.914 25852 140 1 1 . 1 1 31 31 GLU CB C 31 26.393 26.393 29.575 -3.182 25852 141 1 1 . 1 1 31 31 GLU H H 31 7.431 7.431 8.051 -0.620 25852 142 1 1 . 1 1 32 32 LEU N N 32 120.701 120.701 122.500 -1.799 25852 143 1 1 . 1 1 32 32 LEU HA H 32 3.880 3.880 3.756 0.124 25852 144 1 1 . 1 1 32 32 LEU CA C 32 55.520 55.520 58.049 -2.529 25852 145 1 1 . 1 1 32 32 LEU CB C 32 39.226 39.226 41.582 -2.356 25852 146 1 1 . 1 1 32 32 LEU H H 32 7.270 7.270 7.515 -0.245 25852 147 1 1 . 1 1 33 33 GLY N N 33 105.217 105.217 104.427 0.790 25852 148 1 1 . 1 1 33 33 GLY CA C 33 45.642 45.642 47.520 -1.878 25852 149 1 1 . 1 1 33 33 GLY H H 33 8.737 8.737 8.425 0.312 25852 150 1 1 . 1 1 34 34 THR N N 34 118.196 118.196 118.892 -0.696 25852 151 1 1 . 1 1 34 34 THR HA H 34 3.916 3.916 4.009 -0.093 25852 152 1 1 . 1 1 34 34 THR CA C 34 63.859 63.859 65.931 -2.072 25852 153 1 1 . 1 1 34 34 THR CB C 34 65.807 65.807 68.634 -2.827 25852 154 1 1 . 1 1 34 34 THR H H 34 7.446 7.446 7.387 0.059 25852 155 1 1 . 1 1 35 35 VAL N N 35 122.546 122.546 121.463 1.083 25852 156 1 1 . 1 1 35 35 VAL HA H 35 3.373 3.373 3.907 -0.534 25852 157 1 1 . 1 1 35 35 VAL CA C 35 64.088 64.088 65.896 -1.808 25852 158 1 1 . 1 1 35 35 VAL CB C 35 28.799 28.799 31.081 -2.282 25852 159 1 1 . 1 1 35 35 VAL H H 35 7.889 7.889 7.383 0.506 25852 160 1 1 . 1 1 36 36 MET N N 36 118.307 118.307 118.191 0.116 25852 161 1 1 . 1 1 36 36 MET HA H 36 3.880 3.880 4.118 -0.238 25852 162 1 1 . 1 1 36 36 MET CA C 36 56.870 56.870 59.046 -2.176 25852 163 1 1 . 1 1 36 36 MET CB C 36 26.279 26.279 32.962 -6.683 25852 164 1 1 . 1 1 36 36 MET H H 36 8.386 8.386 7.967 0.419 25852 165 1 1 . 1 1 37 37 ARG N N 37 119.233 119.233 119.235 -0.002 25852 166 1 1 . 1 1 37 37 ARG HA H 37 3.904 3.904 4.546 -0.642 25852 167 1 1 . 1 1 37 37 ARG CA C 37 56.170 56.170 58.743 -2.574 25852 168 1 1 . 1 1 37 37 ARG CB C 37 27.310 27.310 30.339 -3.029 25852 169 1 1 . 1 1 37 37 ARG H H 37 8.451 8.451 8.347 0.104 25852 170 1 1 . 1 1 38 38 SER N N 38 118.720 118.720 117.095 1.625 25852 171 1 1 . 1 1 38 38 SER HA H 38 4.176 4.176 4.295 -0.119 25852 172 1 1 . 1 1 38 38 SER CA C 38 59.250 59.250 60.823 -1.573 25852 173 1 1 . 1 1 38 38 SER CB C 38 67.411 67.411 62.926 4.485 25852 174 1 1 . 1 1 38 38 SER H H 38 8.040 8.040 8.279 -0.239 25852 175 1 1 . 1 1 39 39 LEU N N 39 120.896 120.896 118.750 2.146 25852 176 1 1 . 1 1 39 39 LEU HA H 39 4.460 4.460 4.449 0.011 25852 177 1 1 . 1 1 39 39 LEU CA C 39 51.330 51.330 54.624 -3.294 25852 178 1 1 . 1 1 39 39 LEU CB C 39 40.257 40.257 42.309 -2.052 25852 179 1 1 . 1 1 39 39 LEU H H 39 7.263 7.263 7.297 -0.034 25852 180 1 1 . 1 1 40 40 GLY N N 40 106.917 106.917 106.005 0.912 25852 181 1 1 . 1 1 40 40 GLY CA C 40 42.880 42.880 44.581 -1.701 25852 182 1 1 . 1 1 40 40 GLY H H 40 7.841 7.841 7.962 -0.121 25852 183 1 1 . 1 1 41 41 GLN N N 41 117.171 117.171 120.355 -3.184 25852 184 1 1 . 1 1 41 41 GLN HA H 41 4.243 4.243 4.295 -0.052 25852 185 1 1 . 1 1 41 41 GLN CA C 41 52.631 52.631 55.474 -2.843 25852 186 1 1 . 1 1 41 41 GLN CB C 41 30.747 30.747 29.880 0.867 25852 187 1 1 . 1 1 41 41 GLN H H 41 7.687 7.687 7.628 0.059 25852 188 1 1 . 1 1 42 42 ASN N N 42 116.423 116.423 121.366 -4.943 25852 189 1 1 . 1 1 42 42 ASN HA H 42 5.016 5.016 5.056 -0.040 25852 190 1 1 . 1 1 42 42 ASN CA C 42 48.640 48.640 50.357 -1.717 25852 191 1 1 . 1 1 42 42 ASN CB C 42 36.591 36.591 38.991 -2.400 25852 192 1 1 . 1 1 42 42 ASN H H 42 8.601 8.601 8.763 -0.162 25852 193 1 1 . 1 1 44 44 THR N N 44 113.033 113.033 114.813 -1.780 25852 194 1 1 . 1 1 44 44 THR HA H 44 4.279 4.279 4.598 -0.319 25852 195 1 1 . 1 1 44 44 THR CA C 44 57.640 57.640 60.718 -3.078 25852 196 1 1 . 1 1 44 44 THR CB C 44 68.328 68.328 70.913 -2.585 25852 197 1 1 . 1 1 44 44 THR H H 44 8.711 8.711 7.964 0.747 25852 198 1 1 . 1 1 45 45 GLU N N 45 120.233 120.233 122.279 -2.046 25852 199 1 1 . 1 1 45 45 GLU HA H 45 3.892 3.892 4.197 -0.305 25852 200 1 1 . 1 1 45 45 GLU CA C 45 56.756 56.756 58.602 -1.846 25852 201 1 1 . 1 1 45 45 GLU CB C 45 26.393 26.393 29.407 -3.014 25852 202 1 1 . 1 1 45 45 GLU H H 45 8.781 8.781 8.928 -0.147 25852 203 1 1 . 1 1 46 46 ALA N N 46 120.833 120.833 122.939 -2.106 25852 204 1 1 . 1 1 46 46 ALA HA H 46 3.868 3.868 4.212 -0.344 25852 205 1 1 . 1 1 46 46 ALA CA C 46 52.310 52.310 54.645 -2.335 25852 206 1 1 . 1 1 46 46 ALA CB C 46 15.394 15.394 18.208 -2.814 25852 207 1 1 . 1 1 46 46 ALA H H 46 8.251 8.251 8.063 0.188 25852 208 1 1 . 1 1 47 47 GLU N N 47 118.672 118.672 118.213 0.459 25852 209 1 1 . 1 1 47 47 GLU HA H 47 3.965 3.965 4.136 -0.171 25852 210 1 1 . 1 1 47 47 GLU CA C 47 56.641 56.641 58.660 -2.019 25852 211 1 1 . 1 1 47 47 GLU CB C 47 26.623 26.623 29.456 -2.833 25852 212 1 1 . 1 1 47 47 GLU H H 47 7.668 7.668 8.539 -0.871 25852 213 1 1 . 1 1 48 48 LEU N N 48 119.645 119.645 119.454 0.191 25852 214 1 1 . 1 1 48 48 LEU HA H 48 3.892 3.892 4.199 -0.307 25852 215 1 1 . 1 1 48 48 LEU CA C 48 55.610 55.610 57.695 -2.085 25852 216 1 1 . 1 1 48 48 LEU CB C 48 39.340 39.340 41.240 -1.900 25852 217 1 1 . 1 1 48 48 LEU H H 48 8.244 8.244 7.734 0.510 25852 218 1 1 . 1 1 49 49 GLN N N 49 117.446 117.446 116.872 0.574 25852 219 1 1 . 1 1 49 49 GLN HA H 49 3.892 3.892 4.312 -0.420 25852 220 1 1 . 1 1 49 49 GLN CA C 49 56.756 56.756 57.700 -0.944 25852 221 1 1 . 1 1 49 49 GLN CB C 49 26.508 26.508 28.604 -2.096 25852 222 1 1 . 1 1 49 49 GLN H H 49 7.980 7.980 7.720 0.260 25852 223 1 1 . 1 1 50 50 ASP N N 50 118.733 118.733 120.933 -2.200 25852 224 1 1 . 1 1 50 50 ASP HA H 50 4.267 4.267 4.582 -0.315 25852 225 1 1 . 1 1 50 50 ASP CA C 50 54.700 54.700 57.014 -2.314 25852 226 1 1 . 1 1 50 50 ASP CB C 50 37.622 37.622 41.231 -3.609 25852 227 1 1 . 1 1 50 50 ASP H H 50 7.761 7.761 7.651 0.110 25852 228 1 1 . 1 1 51 51 MET N N 51 118.996 118.996 118.674 0.322 25852 229 1 1 . 1 1 51 51 MET HA H 51 3.892 3.892 4.417 -0.525 25852 230 1 1 . 1 1 51 51 MET CA C 51 56.560 56.560 56.986 -0.426 25852 231 1 1 . 1 1 51 51 MET CB C 51 29.601 29.601 33.048 -3.447 25852 232 1 1 . 1 1 51 51 MET H H 51 7.900 7.900 8.450 -0.550 25852 233 1 1 . 1 1 52 52 ILE N N 52 118.833 118.833 120.186 -1.353 25852 234 1 1 . 1 1 52 52 ILE HA H 52 3.348 3.348 3.819 -0.471 25852 235 1 1 . 1 1 52 52 ILE CA C 52 62.484 62.484 64.878 -2.394 25852 236 1 1 . 1 1 52 52 ILE CB C 52 35.330 35.330 37.853 -2.523 25852 237 1 1 . 1 1 52 52 ILE H H 52 8.261 8.261 7.756 0.505 25852 238 1 1 . 1 1 53 53 ASN N N 53 117.296 117.296 116.453 0.843 25852 239 1 1 . 1 1 53 53 ASN HA H 53 4.243 4.243 4.470 -0.227 25852 240 1 1 . 1 1 53 53 ASN CA C 53 53.090 53.090 56.017 -2.927 25852 241 1 1 . 1 1 53 53 ASN CB C 53 35.330 35.330 38.679 -3.349 25852 242 1 1 . 1 1 53 53 ASN H H 53 8.186 8.186 7.657 0.529 25852 243 1 1 . 1 1 54 54 GLU N N 54 117.133 117.133 118.030 -0.897 25852 244 1 1 . 1 1 54 54 GLU HA H 54 3.965 3.965 4.171 -0.206 25852 245 1 1 . 1 1 54 54 GLU CA C 54 56.412 56.412 58.378 -1.966 25852 246 1 1 . 1 1 54 54 GLU CB C 54 26.508 26.508 30.212 -3.704 25852 247 1 1 . 1 1 54 54 GLU H H 54 7.501 7.501 7.618 -0.117 25852 248 1 1 . 1 1 55 55 VAL N N 55 112.928 112.928 118.609 -5.681 25852 249 1 1 . 1 1 55 55 VAL HA H 55 4.194 4.194 3.992 0.202 25852 250 1 1 . 1 1 55 55 VAL CA C 55 59.505 59.505 65.561 -6.056 25852 251 1 1 . 1 1 55 55 VAL CB C 55 30.174 30.174 32.370 -2.196 25852 252 1 1 . 1 1 55 55 VAL H H 55 7.575 7.575 8.294 -0.719 25852 253 1 1 . 1 1 56 56 ASP N N 56 121.771 121.771 120.514 1.257 25852 254 1 1 . 1 1 56 56 ASP HA H 56 4.388 4.388 4.526 -0.138 25852 255 1 1 . 1 1 56 56 ASP CA C 56 50.990 50.990 54.395 -3.405 25852 256 1 1 . 1 1 56 56 ASP CB C 56 36.820 36.820 39.771 -2.951 25852 257 1 1 . 1 1 56 56 ASP H H 56 8.401 8.401 8.022 0.379 25852 258 1 1 . 1 1 57 57 ALA N N 57 124.771 124.771 120.920 3.851 25852 259 1 1 . 1 1 57 57 ALA HA H 57 4.001 4.001 4.299 -0.298 25852 260 1 1 . 1 1 57 57 ALA CA C 57 52.402 52.402 53.432 -1.030 25852 261 1 1 . 1 1 57 57 ALA CB C 57 15.280 15.280 19.247 -3.967 25852 262 1 1 . 1 1 57 57 ALA H H 57 8.097 8.097 8.018 0.079 25852 263 1 1 . 1 1 58 58 ASP N N 58 114.518 114.518 119.053 -4.535 25852 264 1 1 . 1 1 58 58 ASP HA H 58 4.400 4.400 4.661 -0.261 25852 265 1 1 . 1 1 58 58 ASP CA C 58 50.798 50.798 54.351 -3.553 25852 266 1 1 . 1 1 58 58 ASP CB C 58 36.934 36.934 42.057 -5.123 25852 267 1 1 . 1 1 58 58 ASP H H 58 8.376 8.376 7.784 0.592 25852 268 1 1 . 1 1 59 59 GLY N N 59 108.798 108.798 108.487 0.311 25852 269 1 1 . 1 1 59 59 GLY CA C 59 44.490 44.490 45.466 -0.976 25852 270 1 1 . 1 1 59 59 GLY H H 59 7.827 7.827 8.687 -0.860 25852 271 1 1 . 1 1 60 60 ASN N N 60 119.696 119.696 118.001 1.695 25852 272 1 1 . 1 1 60 60 ASN HA H 60 4.688 4.688 4.680 0.008 25852 273 1 1 . 1 1 60 60 ASN CA C 60 51.943 51.943 52.640 -0.697 25852 274 1 1 . 1 1 60 60 ASN CB C 60 38.424 38.424 39.593 -1.169 25852 275 1 1 . 1 1 60 60 ASN H H 60 9.253 9.253 8.210 1.043 25852 276 1 1 . 1 1 61 61 GLY N N 61 110.108 110.108 108.013 2.095 25852 277 1 1 . 1 1 61 61 GLY CA C 61 42.870 42.870 45.816 -2.946 25852 278 1 1 . 1 1 61 61 GLY H H 61 10.004 10.004 8.237 1.767 25852 279 1 1 . 1 1 62 62 THR N N 62 110.533 110.533 111.462 -0.929 25852 280 1 1 . 1 1 62 62 THR HA H 62 4.629 4.629 4.717 -0.088 25852 281 1 1 . 1 1 62 62 THR CA C 62 59.162 59.162 60.138 -0.976 25852 282 1 1 . 1 1 62 62 THR CB C 62 67.526 67.526 72.216 -4.691 25852 283 1 1 . 1 1 62 62 THR H H 62 7.481 7.481 7.438 0.043 25852 284 1 1 . 1 1 63 63 ILE N N 63 118.533 118.533 121.267 -2.734 25852 285 1 1 . 1 1 63 63 ILE HA H 63 3.783 3.783 4.474 -0.691 25852 286 1 1 . 1 1 63 63 ILE CA C 63 60.537 60.537 59.035 1.502 25852 287 1 1 . 1 1 63 63 ILE CB C 63 36.018 36.018 40.204 -4.186 25852 288 1 1 . 1 1 63 63 ILE H H 63 8.820 8.820 8.692 0.128 25852 289 1 1 . 1 1 64 64 ASP N N 64 122.928 122.928 128.223 -5.295 25852 290 1 1 . 1 1 64 64 ASP HA H 64 4.327 4.327 4.544 -0.217 25852 291 1 1 . 1 1 64 64 ASP CA C 64 51.027 51.027 56.234 -5.207 25852 292 1 1 . 1 1 64 64 ASP CB C 64 37.278 37.278 41.850 -4.572 25852 293 1 1 . 1 1 64 64 ASP H H 64 8.380 8.380 8.680 -0.300 25852 294 1 1 . 1 1 65 65 PHE N N 65 118.559 118.559 118.454 0.105 25852 295 1 1 . 1 1 65 65 PHE HA H 65 3.880 3.880 4.965 -1.085 25852 296 1 1 . 1 1 65 65 PHE CA C 65 56.870 56.870 60.188 -3.317 25852 297 1 1 . 1 1 65 65 PHE CB C 65 33.497 33.497 36.514 -3.017 25852 298 1 1 . 1 1 65 65 PHE H H 65 8.559 8.559 8.036 0.523 25852 299 1 1 . 1 1 67 67 GLU N N 67 117.546 117.546 114.932 2.614 25852 300 1 1 . 1 1 67 67 GLU HA H 67 3.904 3.904 4.331 -0.427 25852 301 1 1 . 1 1 67 67 GLU CA C 67 56.870 56.870 56.873 -0.003 25852 302 1 1 . 1 1 67 67 GLU CB C 67 26.623 26.623 29.520 -2.897 25852 303 1 1 . 1 1 67 67 GLU H H 67 7.995 7.995 8.447 -0.452 25852 304 1 1 . 1 1 68 68 PHE N N 68 122.032 122.032 121.162 0.870 25852 305 1 1 . 1 1 68 68 PHE HA H 68 3.904 3.904 4.372 -0.468 25852 306 1 1 . 1 1 68 68 PHE CA C 68 59.047 59.047 61.317 -2.270 25852 307 1 1 . 1 1 68 68 PHE CB C 68 36.934 36.934 39.952 -3.018 25852 308 1 1 . 1 1 68 68 PHE H H 68 8.377 8.377 7.616 0.761 25852 309 1 1 . 1 1 69 69 LEU N N 69 118.488 118.488 119.031 -0.543 25852 310 1 1 . 1 1 69 69 LEU HA H 69 3.179 3.179 4.080 -0.901 25852 311 1 1 . 1 1 69 69 LEU CA C 69 55.158 55.158 58.419 -3.261 25852 312 1 1 . 1 1 69 69 LEU CB C 69 38.195 38.195 41.755 -3.559 25852 313 1 1 . 1 1 69 69 LEU H H 69 8.393 8.393 7.909 0.484 25852 314 1 1 . 1 1 70 70 THR N N 70 115.208 115.208 115.176 0.032 25852 315 1 1 . 1 1 70 70 THR HA H 70 3.638 3.638 3.856 -0.218 25852 316 1 1 . 1 1 70 70 THR CA C 70 63.630 63.630 66.175 -2.545 25852 317 1 1 . 1 1 70 70 THR CB C 70 65.578 65.578 68.390 -2.812 25852 318 1 1 . 1 1 70 70 THR H H 70 7.658 7.658 8.059 -0.401 25852 319 1 1 . 1 1 71 71 MET N N 71 121.221 121.221 119.804 1.417 25852 320 1 1 . 1 1 71 71 MET HA H 71 3.892 3.892 3.975 -0.083 25852 321 1 1 . 1 1 71 71 MET CA C 71 56.303 56.303 59.215 -2.912 25852 322 1 1 . 1 1 71 71 MET CB C 71 29.831 29.831 32.063 -2.232 25852 323 1 1 . 1 1 71 71 MET H H 71 7.653 7.653 7.369 0.284 25852 324 1 1 . 1 1 72 72 MET N N 72 117.459 117.459 116.962 0.497 25852 325 1 1 . 1 1 72 72 MET HA H 72 3.892 3.892 4.129 -0.237 25852 326 1 1 . 1 1 72 72 MET CA C 72 53.777 53.777 58.094 -4.317 25852 327 1 1 . 1 1 72 72 MET CB C 72 29.029 29.029 32.471 -3.442 25852 328 1 1 . 1 1 72 72 MET H H 72 7.956 7.956 7.545 0.411 25852 329 1 1 . 1 1 73 73 ALA N N 73 120.856 120.856 121.319 -0.463 25852 330 1 1 . 1 1 73 73 ALA HA H 73 3.868 3.868 4.073 -0.205 25852 331 1 1 . 1 1 73 73 ALA CA C 73 52.402 52.402 54.867 -2.465 25852 332 1 1 . 1 1 73 73 ALA CB C 73 15.280 15.280 18.766 -3.486 25852 333 1 1 . 1 1 73 73 ALA H H 73 8.230 8.230 8.221 0.009 25852 334 1 1 . 1 1 74 74 ARG N N 74 116.530 116.530 116.619 -0.089 25852 335 1 1 . 1 1 74 74 ARG HA H 74 3.892 3.892 4.199 -0.307 25852 336 1 1 . 1 1 74 74 ARG CA C 74 56.297 56.297 58.554 -2.257 25852 337 1 1 . 1 1 74 74 ARG CB C 74 27.997 27.997 29.897 -1.900 25852 338 1 1 . 1 1 74 74 ARG H H 74 7.409 7.409 7.975 -0.566 25852 339 1 1 . 1 1 75 75 LYS N N 75 118.008 118.008 118.509 -0.501 25852 340 1 1 . 1 1 75 75 LYS HA H 75 3.965 3.965 4.121 -0.156 25852 341 1 1 . 1 1 75 75 LYS CA C 75 55.495 55.495 58.858 -3.364 25852 342 1 1 . 1 1 75 75 LYS CB C 75 26.279 26.279 32.584 -6.305 25852 343 1 1 . 1 1 75 75 LYS H H 75 7.657 7.657 7.843 -0.186 25852 344 1 1 . 1 1 76 76 MET N N 76 117.646 117.646 112.248 5.398 25852 345 1 1 . 1 1 76 76 MET HA H 76 4.146 4.146 4.704 -0.558 25852 346 1 1 . 1 1 76 76 MET CA C 76 53.947 53.947 57.115 -3.168 25852 347 1 1 . 1 1 76 76 MET CB C 76 29.487 29.487 34.612 -5.125 25852 348 1 1 . 1 1 76 76 MET H H 76 7.883 7.883 7.359 0.524 25852 349 1 1 . 1 1 77 77 LYS N N 77 120.334 120.334 120.187 0.147 25852 350 1 1 . 1 1 77 77 LYS HA H 77 3.941 3.941 4.263 -0.322 25852 351 1 1 . 1 1 77 77 LYS CA C 77 56.526 56.526 58.912 -2.386 25852 352 1 1 . 1 1 77 77 LYS CB C 77 27.425 27.425 32.623 -5.198 25852 353 1 1 . 1 1 77 77 LYS H H 77 7.658 7.658 8.051 -0.393 25852 354 1 1 . 1 1 78 78 ASP N N 78 121.733 121.733 114.823 6.910 25852 355 1 1 . 1 1 78 78 ASP HA H 78 4.194 4.194 4.660 -0.466 25852 356 1 1 . 1 1 78 78 ASP CA C 78 52.516 52.516 55.124 -2.608 25852 357 1 1 . 1 1 78 78 ASP CB C 78 40.028 40.028 41.084 -1.056 25852 358 1 1 . 1 1 78 78 ASP H H 78 8.212 8.212 7.813 0.399 25852 359 1 1 . 1 1 79 79 THR N N 79 114.651 114.651 115.145 -0.494 25852 360 1 1 . 1 1 79 79 THR HA H 79 4.170 4.170 4.123 0.047 25852 361 1 1 . 1 1 79 79 THR CA C 79 59.391 59.391 64.558 -5.167 25852 362 1 1 . 1 1 79 79 THR CB C 79 67.067 67.067 69.408 -2.341 25852 363 1 1 . 1 1 79 79 THR H H 79 8.048 8.048 8.201 -0.153 25852 364 1 1 . 1 1 80 80 ASP N N 80 122.484 122.484 120.275 2.209 25852 365 1 1 . 1 1 80 80 ASP HA H 80 4.363 4.363 4.896 -0.533 25852 366 1 1 . 1 1 80 80 ASP CA C 80 50.850 50.850 53.947 -3.097 25852 367 1 1 . 1 1 80 80 ASP CB C 80 36.705 36.705 43.000 -6.295 25852 368 1 1 . 1 1 80 80 ASP H H 80 8.432 8.432 7.950 0.482 25852 369 1 1 . 1 1 81 81 SER N N 81 117.135 117.135 117.931 -0.796 25852 370 1 1 . 1 1 81 81 SER HA H 81 4.267 4.267 4.343 -0.076 25852 371 1 1 . 1 1 81 81 SER CA C 81 56.870 56.870 60.094 -3.224 25852 372 1 1 . 1 1 81 81 SER CB C 81 60.884 60.884 63.564 -2.680 25852 373 1 1 . 1 1 81 81 SER H H 81 8.403 8.403 8.745 -0.342 25852 374 1 1 . 1 1 82 82 GLU N N 82 121.723 121.723 121.027 0.696 25852 375 1 1 . 1 1 82 82 GLU HA H 82 3.883 3.883 4.375 -0.492 25852 376 1 1 . 1 1 82 82 GLU CA C 82 56.707 56.707 58.540 -1.833 25852 377 1 1 . 1 1 82 82 GLU CB C 82 29.831 29.831 29.297 0.534 25852 378 1 1 . 1 1 82 82 GLU H H 82 8.443 8.443 8.264 0.179 25852 379 1 1 . 1 1 83 83 GLU N N 83 119.259 119.259 118.799 0.460 25852 380 1 1 . 1 1 83 83 GLU HA H 83 3.883 3.883 4.071 -0.188 25852 381 1 1 . 1 1 83 83 GLU CA C 83 56.606 56.606 58.542 -1.936 25852 382 1 1 . 1 1 83 83 GLU CB C 83 29.364 29.364 29.122 0.242 25852 383 1 1 . 1 1 83 83 GLU H H 83 8.118 8.118 8.671 -0.553 25852 384 1 1 . 1 1 84 84 GLU N N 84 118.060 118.060 118.905 -0.845 25852 385 1 1 . 1 1 84 84 GLU HA H 84 3.871 3.871 4.457 -0.586 25852 386 1 1 . 1 1 84 84 GLU CA C 84 56.606 56.606 58.918 -2.312 25852 387 1 1 . 1 1 84 84 GLU CB C 84 25.817 25.817 29.538 -3.721 25852 388 1 1 . 1 1 84 84 GLU H H 84 8.212 8.212 7.871 0.341 25852 389 1 1 . 1 1 85 85 ILE N N 85 120.736 120.736 117.509 3.227 25852 390 1 1 . 1 1 85 85 ILE HA H 85 3.678 3.678 4.048 -0.370 25852 391 1 1 . 1 1 85 85 ILE CA C 85 62.484 62.484 64.456 -1.972 25852 392 1 1 . 1 1 85 85 ILE CB C 85 35.445 35.445 38.528 -3.083 25852 393 1 1 . 1 1 85 85 ILE H H 85 7.964 7.964 7.420 0.544 25852 394 1 1 . 1 1 86 86 ARG N N 86 121.452 121.452 119.749 1.703 25852 395 1 1 . 1 1 86 86 ARG HA H 86 3.989 3.989 3.948 0.041 25852 396 1 1 . 1 1 86 86 ARG CA C 86 56.985 56.985 58.758 -1.773 25852 397 1 1 . 1 1 86 86 ARG CB C 86 26.856 26.856 29.419 -2.563 25852 398 1 1 . 1 1 86 86 ARG H H 86 8.351 8.351 7.842 0.509 25852 399 1 1 . 1 1 87 87 GLU N N 87 118.288 118.288 118.255 0.033 25852 400 1 1 . 1 1 87 87 GLU HA H 87 3.861 3.861 4.187 -0.326 25852 401 1 1 . 1 1 87 87 GLU CA C 87 56.606 56.606 58.715 -2.109 25852 402 1 1 . 1 1 87 87 GLU CB C 87 25.817 25.817 29.200 -3.383 25852 403 1 1 . 1 1 87 87 GLU H H 87 8.238 8.238 8.142 0.096 25852 404 1 1 . 1 1 88 88 ALA N N 88 120.408 120.408 121.949 -1.541 25852 405 1 1 . 1 1 88 88 ALA HA H 88 4.013 4.013 4.331 -0.318 25852 406 1 1 . 1 1 88 88 ALA CA C 88 52.263 52.263 54.805 -2.542 25852 407 1 1 . 1 1 88 88 ALA CB C 88 15.080 15.080 18.355 -3.275 25852 408 1 1 . 1 1 88 88 ALA H H 88 7.960 7.960 8.313 -0.353 25852 409 1 1 . 1 1 89 89 PHE N N 89 118.123 118.123 116.990 1.133 25852 410 1 1 . 1 1 89 89 PHE HA H 89 3.058 3.058 4.391 -1.333 25852 411 1 1 . 1 1 89 89 PHE CA C 89 59.703 59.703 60.563 -0.860 25852 412 1 1 . 1 1 89 89 PHE CB C 89 36.774 36.774 38.932 -2.158 25852 413 1 1 . 1 1 89 89 PHE H H 89 8.498 8.498 7.506 0.992 25852 414 1 1 . 1 1 90 90 ARG N N 90 116.002 116.002 118.411 -2.409 25852 415 1 1 . 1 1 90 90 ARG HA H 90 3.892 3.892 4.269 -0.377 25852 416 1 1 . 1 1 90 90 ARG CA C 90 56.168 56.168 57.373 -1.205 25852 417 1 1 . 1 1 90 90 ARG CB C 90 27.654 27.654 30.031 -2.377 25852 418 1 1 . 1 1 90 90 ARG H H 90 7.860 7.860 7.673 0.187 25852 419 1 1 . 1 1 91 91 VAL N N 91 118.008 118.008 117.927 0.081 25852 420 1 1 . 1 1 91 91 VAL HA H 91 3.243 3.243 3.982 -0.739 25852 421 1 1 . 1 1 91 91 VAL CA C 91 63.357 63.357 65.207 -1.850 25852 422 1 1 . 1 1 91 91 VAL CB C 91 28.444 28.444 32.417 -3.973 25852 423 1 1 . 1 1 91 91 VAL H H 91 7.300 7.300 7.674 -0.374 25852 424 1 1 . 1 1 92 92 PHE N N 92 113.024 113.024 116.383 -3.359 25852 425 1 1 . 1 1 92 92 PHE HA H 92 3.967 3.967 4.486 -0.519 25852 426 1 1 . 1 1 92 92 PHE CA C 92 57.558 57.558 59.787 -2.229 25852 427 1 1 . 1 1 92 92 PHE CB C 92 38.838 38.838 40.633 -1.795 25852 428 1 1 . 1 1 92 92 PHE H H 92 6.805 6.805 8.453 -1.648 25852 429 1 1 . 1 1 93 93 ASP N N 93 116.393 116.393 119.829 -3.436 25852 430 1 1 . 1 1 93 93 ASP HA H 93 4.496 4.496 4.485 0.011 25852 431 1 1 . 1 1 93 93 ASP CA C 93 49.525 49.525 55.284 -5.759 25852 432 1 1 . 1 1 93 93 ASP CB C 93 35.788 35.788 40.592 -4.804 25852 433 1 1 . 1 1 93 93 ASP H H 93 8.018 8.018 7.950 0.068 25852 434 1 1 . 1 1 94 94 LYS N N 94 125.158 125.158 124.212 0.946 25852 435 1 1 . 1 1 94 94 LYS HA H 94 3.892 3.892 4.214 -0.322 25852 436 1 1 . 1 1 94 94 LYS CA C 94 56.183 56.183 58.475 -2.292 25852 437 1 1 . 1 1 94 94 LYS CB C 94 29.945 29.945 33.033 -3.088 25852 438 1 1 . 1 1 94 94 LYS H H 94 7.721 7.721 7.949 -0.228 25852 439 1 1 . 1 1 95 95 ASP N N 95 113.893 113.893 117.452 -3.559 25852 440 1 1 . 1 1 95 95 ASP HA H 95 4.415 4.415 4.510 -0.095 25852 441 1 1 . 1 1 95 95 ASP CA C 95 50.683 50.683 54.708 -4.025 25852 442 1 1 . 1 1 95 95 ASP CB C 95 36.774 36.774 40.559 -3.785 25852 443 1 1 . 1 1 95 95 ASP H H 95 8.156 8.156 8.301 -0.145 25852 444 1 1 . 1 1 96 96 GLY N N 96 108.799 108.799 106.192 2.607 25852 445 1 1 . 1 1 96 96 GLY CA C 96 44.344 44.344 46.193 -1.849 25852 446 1 1 . 1 1 96 96 GLY H H 96 7.717 7.717 8.408 -0.691 25852 447 1 1 . 1 1 97 97 ASN N N 97 119.381 119.381 118.002 1.379 25852 448 1 1 . 1 1 97 97 ASN HA H 97 4.500 4.500 4.764 -0.264 25852 449 1 1 . 1 1 97 97 ASN CA C 97 49.916 49.916 52.915 -2.999 25852 450 1 1 . 1 1 97 97 ASN CB C 97 35.183 35.183 39.255 -4.072 25852 451 1 1 . 1 1 97 97 ASN H H 97 8.312 8.312 8.171 0.141 25852 452 1 1 . 1 1 98 98 GLY N N 98 112.330 112.330 106.920 5.410 25852 453 1 1 . 1 1 98 98 GLY CA C 98 42.434 42.434 45.327 -2.893 25852 454 1 1 . 1 1 98 98 GLY H H 98 10.555 10.555 7.897 2.658 25852 455 1 1 . 1 1 99 99 TYR N N 99 116.075 116.075 119.563 -3.488 25852 456 1 1 . 1 1 99 99 TYR HA H 99 4.871 4.871 5.126 -0.255 25852 457 1 1 . 1 1 99 99 TYR CA C 99 53.582 53.582 55.759 -2.177 25852 458 1 1 . 1 1 99 99 TYR CB C 99 39.981 39.981 39.231 0.750 25852 459 1 1 . 1 1 99 99 TYR H H 99 7.650 7.650 7.569 0.081 25852 460 1 1 . 1 1 100 100 ILE N N 100 126.834 126.834 126.252 0.582 25852 461 1 1 . 1 1 100 100 ILE HA H 100 4.493 4.493 4.152 0.341 25852 462 1 1 . 1 1 100 100 ILE CA C 100 58.616 58.616 61.355 -2.739 25852 463 1 1 . 1 1 100 100 ILE CB C 100 35.903 35.903 36.626 -0.723 25852 464 1 1 . 1 1 100 100 ILE H H 100 10.037 10.037 8.525 1.512 25852 465 1 1 . 1 1 101 101 SER N N 101 123.486 123.486 122.111 1.375 25852 466 1 1 . 1 1 101 101 SER HA H 101 4.738 4.738 4.330 0.408 25852 467 1 1 . 1 1 101 101 SER CA C 101 52.897 52.897 58.792 -5.895 25852 468 1 1 . 1 1 101 101 SER CB C 101 64.134 64.134 64.548 -0.414 25852 469 1 1 . 1 1 101 101 SER H H 101 8.904 8.904 7.947 0.957 25852 470 1 1 . 1 1 102 102 ALA N N 102 122.796 122.796 125.029 -2.233 25852 471 1 1 . 1 1 102 102 ALA HA H 102 3.747 3.747 4.120 -0.373 25852 472 1 1 . 1 1 102 102 ALA CA C 102 53.093 53.093 54.784 -1.691 25852 473 1 1 . 1 1 102 102 ALA CB C 102 15.114 15.114 18.626 -3.512 25852 474 1 1 . 1 1 102 102 ALA H H 102 9.246 9.246 8.764 0.482 25852 475 1 1 . 1 1 103 103 ALA N N 103 118.362 118.362 119.183 -0.821 25852 476 1 1 . 1 1 103 103 ALA HA H 103 3.861 3.861 4.245 -0.384 25852 477 1 1 . 1 1 103 103 ALA CA C 103 52.409 52.409 54.110 -1.701 25852 478 1 1 . 1 1 103 103 ALA CB C 103 15.456 15.456 19.070 -3.614 25852 479 1 1 . 1 1 103 103 ALA H H 103 8.214 8.214 8.406 -0.192 25852 480 1 1 . 1 1 104 104 GLU N N 104 120.187 120.187 120.241 -0.054 25852 481 1 1 . 1 1 104 104 GLU HA H 104 3.904 3.904 4.227 -0.323 25852 482 1 1 . 1 1 104 104 GLU CA C 104 56.563 56.563 58.525 -1.962 25852 483 1 1 . 1 1 104 104 GLU CB C 104 26.400 26.400 29.676 -3.276 25852 484 1 1 . 1 1 104 104 GLU H H 104 7.864 7.864 7.824 0.040 25852 485 1 1 . 1 1 105 105 LEU N N 105 121.050 121.050 120.556 0.494 25852 486 1 1 . 1 1 105 105 LEU HA H 105 3.892 3.892 4.334 -0.442 25852 487 1 1 . 1 1 105 105 LEU CA C 105 55.732 55.732 58.134 -2.402 25852 488 1 1 . 1 1 105 105 LEU CB C 105 39.340 39.340 42.163 -2.823 25852 489 1 1 . 1 1 105 105 LEU H H 105 8.341 8.341 8.513 -0.172 25852 490 1 1 . 1 1 106 106 ARG N N 106 118.494 118.494 119.407 -0.913 25852 491 1 1 . 1 1 106 106 ARG HA H 106 3.904 3.904 4.084 -0.180 25852 492 1 1 . 1 1 106 106 ARG CA C 106 55.724 55.724 58.948 -3.224 25852 493 1 1 . 1 1 106 106 ARG CB C 106 29.945 29.945 29.057 0.888 25852 494 1 1 . 1 1 106 106 ARG H H 106 8.852 8.852 7.715 1.137 25852 495 1 1 . 1 1 107 107 HIS N N 107 118.921 118.921 118.895 0.026 25852 496 1 1 . 1 1 107 107 HIS HA H 107 3.876 3.876 4.398 -0.522 25852 497 1 1 . 1 1 107 107 HIS CA C 107 56.807 56.807 59.769 -2.962 25852 498 1 1 . 1 1 107 107 HIS CB C 107 27.198 27.198 30.389 -3.191 25852 499 1 1 . 1 1 107 107 HIS H H 107 8.045 8.045 8.470 -0.425 25852 500 1 1 . 1 1 108 108 VAL N N 108 118.991 118.991 121.244 -2.253 25852 501 1 1 . 1 1 108 108 VAL HA H 108 3.385 3.385 3.476 -0.091 25852 502 1 1 . 1 1 108 108 VAL CA C 108 64.285 64.285 66.664 -2.379 25852 503 1 1 . 1 1 108 108 VAL CB C 108 28.908 28.908 31.730 -2.822 25852 504 1 1 . 1 1 108 108 VAL H H 108 7.766 7.766 8.575 -0.809 25852 505 1 1 . 1 1 109 109 MET N N 109 115.789 115.789 118.560 -2.771 25852 506 1 1 . 1 1 109 109 MET HA H 109 4.139 4.139 3.915 0.224 25852 507 1 1 . 1 1 109 109 MET CA C 109 54.461 54.461 59.747 -5.286 25852 508 1 1 . 1 1 109 109 MET CB C 109 29.706 29.706 32.196 -2.490 25852 509 1 1 . 1 1 109 109 MET H H 109 8.333 8.333 8.705 -0.372 25852 510 1 1 . 1 1 110 110 THR N N 110 116.700 116.700 113.426 3.274 25852 511 1 1 . 1 1 110 110 THR HA H 110 3.935 3.935 4.071 -0.136 25852 512 1 1 . 1 1 110 110 THR CA C 110 63.845 63.845 66.036 -2.191 25852 513 1 1 . 1 1 110 110 THR CB C 110 66.072 66.072 68.381 -2.309 25852 514 1 1 . 1 1 110 110 THR H H 110 8.603 8.603 8.198 0.405 25852 515 1 1 . 1 1 111 111 ASN N N 111 123.354 123.354 119.038 4.316 25852 516 1 1 . 1 1 111 111 ASN HA H 111 4.242 4.242 4.408 -0.166 25852 517 1 1 . 1 1 111 111 ASN CA C 111 53.093 53.093 55.673 -2.580 25852 518 1 1 . 1 1 111 111 ASN CB C 111 35.292 35.292 38.715 -3.423 25852 519 1 1 . 1 1 111 111 ASN H H 111 7.991 7.991 7.573 0.418 25852 520 1 1 . 1 1 112 112 LEU N N 112 118.291 118.291 117.359 0.932 25852 521 1 1 . 1 1 112 112 LEU HA H 112 4.182 4.182 4.114 0.068 25852 522 1 1 . 1 1 112 112 LEU CA C 112 52.653 52.653 56.277 -3.624 25852 523 1 1 . 1 1 112 112 LEU CB C 112 39.738 39.738 42.428 -2.690 25852 524 1 1 . 1 1 112 112 LEU H H 112 7.754 7.754 8.369 -0.615 25852 525 1 1 . 1 1 113 113 GLY N N 113 106.894 106.894 104.552 2.342 25852 526 1 1 . 1 1 113 113 GLY CA C 113 42.536 42.536 44.610 -2.074 25852 527 1 1 . 1 1 113 113 GLY H H 113 7.778 7.778 7.988 -0.210 25852 528 1 1 . 1 1 114 114 GLU N N 114 119.776 119.776 121.564 -1.788 25852 529 1 1 . 1 1 114 114 GLU HA H 114 4.267 4.267 4.496 -0.229 25852 530 1 1 . 1 1 114 114 GLU CA C 114 52.067 52.067 54.994 -2.927 25852 531 1 1 . 1 1 114 114 GLU CB C 114 26.616 26.616 31.657 -5.041 25852 532 1 1 . 1 1 114 114 GLU H H 114 7.957 7.957 8.563 -0.606 25852 533 1 1 . 1 1 115 115 LYS N N 115 124.429 124.429 121.178 3.251 25852 534 1 1 . 1 1 115 115 LYS HA H 115 4.255 4.255 4.487 -0.232 25852 535 1 1 . 1 1 115 115 LYS CA C 115 52.848 52.848 54.557 -1.709 25852 536 1 1 . 1 1 115 115 LYS CB C 115 30.518 30.518 33.324 -2.806 25852 537 1 1 . 1 1 115 115 LYS H H 115 8.591 8.591 8.399 0.192 25852 538 1 1 . 1 1 116 116 LEU N N 116 124.724 124.724 126.025 -1.301 25852 539 1 1 . 1 1 116 116 LEU HA H 116 4.690 4.690 4.837 -0.147 25852 540 1 1 . 1 1 116 116 LEU CA C 116 51.089 51.089 54.149 -3.060 25852 541 1 1 . 1 1 116 116 LEU CB C 116 42.588 42.588 44.753 -2.165 25852 542 1 1 . 1 1 116 116 LEU H H 116 8.066 8.066 8.505 -0.439 25852 543 1 1 . 1 1 117 117 THR N N 117 113.912 113.912 117.900 -3.988 25852 544 1 1 . 1 1 117 117 THR HA H 117 4.302 4.302 4.307 -0.005 25852 545 1 1 . 1 1 117 117 THR CA C 117 57.834 57.834 62.602 -4.768 25852 546 1 1 . 1 1 117 117 THR CB C 117 68.580 68.580 70.757 -2.177 25852 547 1 1 . 1 1 117 117 THR H H 117 9.165 9.165 8.869 0.296 25852 548 1 1 . 1 1 118 118 ASP N N 118 120.787 120.787 119.975 0.812 25852 549 1 1 . 1 1 118 118 ASP HA H 118 4.061 4.061 4.426 -0.365 25852 550 1 1 . 1 1 118 118 ASP CA C 118 55.243 55.243 57.745 -2.502 25852 551 1 1 . 1 1 118 118 ASP CB C 118 37.002 37.002 40.978 -3.976 25852 552 1 1 . 1 1 118 118 ASP H H 118 8.860 8.860 8.776 0.084 25852 553 1 1 . 1 1 119 119 GLU N N 119 119.091 119.091 117.278 1.813 25852 554 1 1 . 1 1 119 119 GLU HA H 119 3.892 3.892 4.269 -0.377 25852 555 1 1 . 1 1 119 119 GLU CA C 119 57.149 57.149 57.543 -0.394 25852 556 1 1 . 1 1 119 119 GLU CB C 119 25.931 25.931 29.301 -3.370 25852 557 1 1 . 1 1 119 119 GLU H H 119 8.618 8.618 8.675 -0.057 25852 558 1 1 . 1 1 120 120 GLU N N 120 120.037 120.037 117.478 2.559 25852 559 1 1 . 1 1 120 120 GLU HA H 120 3.880 3.880 4.243 -0.363 25852 560 1 1 . 1 1 120 120 GLU CA C 120 56.319 56.319 57.805 -1.486 25852 561 1 1 . 1 1 120 120 GLU CB C 120 25.830 25.830 29.783 -3.953 25852 562 1 1 . 1 1 120 120 GLU H H 120 7.659 7.659 8.409 -0.750 25852 563 1 1 . 1 1 121 121 VAL N N 121 122.512 122.512 114.843 7.669 25852 564 1 1 . 1 1 121 121 VAL HA H 121 3.385 3.385 3.977 -0.592 25852 565 1 1 . 1 1 121 121 VAL CA C 121 64.090 64.090 63.818 0.272 25852 566 1 1 . 1 1 121 121 VAL CB C 121 28.680 28.680 32.083 -3.403 25852 567 1 1 . 1 1 121 121 VAL H H 121 7.887 7.887 7.281 0.606 25852 568 1 1 . 1 1 122 122 ASP N N 122 119.993 119.993 119.146 0.847 25852 569 1 1 . 1 1 122 122 ASP HA H 122 4.157 4.157 4.433 -0.276 25852 570 1 1 . 1 1 122 122 ASP CA C 122 54.901 54.901 56.391 -1.490 25852 571 1 1 . 1 1 122 122 ASP CB C 122 37.572 37.572 39.648 -2.076 25852 572 1 1 . 1 1 122 122 ASP H H 122 7.973 7.973 8.340 -0.367 25852 573 1 1 . 1 1 123 123 GLU N N 123 119.521 119.521 113.709 5.812 25852 574 1 1 . 1 1 123 123 GLU HA H 123 3.880 3.880 4.430 -0.550 25852 575 1 1 . 1 1 123 123 GLU CA C 123 56.612 56.612 56.919 -0.307 25852 576 1 1 . 1 1 123 123 GLU CB C 123 26.172 26.172 30.388 -4.216 25852 577 1 1 . 1 1 123 123 GLU H H 123 7.903 7.903 8.054 -0.151 25852 578 1 1 . 1 1 124 124 MET N N 124 118.961 118.961 120.415 -1.454 25852 579 1 1 . 1 1 124 124 MET HA H 124 3.892 3.892 4.250 -0.358 25852 580 1 1 . 1 1 124 124 MET CA C 124 56.905 56.905 58.007 -1.102 25852 581 1 1 . 1 1 124 124 MET CB C 124 29.250 29.250 32.851 -3.601 25852 582 1 1 . 1 1 124 124 MET H H 124 7.496 7.496 7.712 -0.216 25852 583 1 1 . 1 1 125 125 ILE N N 125 117.801 117.801 117.977 -0.176 25852 584 1 1 . 1 1 125 125 ILE HA H 125 3.409 3.409 3.852 -0.443 25852 585 1 1 . 1 1 125 125 ILE CA C 125 60.131 60.131 64.141 -4.010 25852 586 1 1 . 1 1 125 125 ILE CB C 125 33.240 33.240 38.211 -4.971 25852 587 1 1 . 1 1 125 125 ILE H H 125 7.762 7.762 7.783 -0.021 25852 588 1 1 . 1 1 126 126 ARG N N 126 117.729 117.729 118.447 -0.718 25852 589 1 1 . 1 1 126 126 ARG HA H 126 3.883 3.883 3.953 -0.070 25852 590 1 1 . 1 1 126 126 ARG CA C 126 56.673 56.673 59.362 -2.689 25852 591 1 1 . 1 1 126 126 ARG CB C 126 29.478 29.478 30.019 -0.541 25852 592 1 1 . 1 1 126 126 ARG H H 126 8.055 8.055 8.608 -0.553 25852 593 1 1 . 1 1 127 127 GLU N N 127 117.539 117.539 117.201 0.338 25852 594 1 1 . 1 1 127 127 GLU HA H 127 3.861 3.861 4.104 -0.243 25852 595 1 1 . 1 1 127 127 GLU CA C 127 56.319 56.319 58.409 -2.090 25852 596 1 1 . 1 1 127 127 GLU CB C 127 26.286 26.286 29.146 -2.860 25852 597 1 1 . 1 1 127 127 GLU H H 127 7.700 7.700 7.684 0.016 25852 598 1 1 . 1 1 128 128 ALA N N 128 116.677 116.677 119.615 -2.938 25852 599 1 1 . 1 1 128 128 ALA HA H 128 4.500 4.500 4.395 0.105 25852 600 1 1 . 1 1 128 128 ALA CA C 128 48.205 48.205 51.716 -3.511 25852 601 1 1 . 1 1 128 128 ALA CB C 128 19.633 19.633 20.571 -0.938 25852 602 1 1 . 1 1 128 128 ALA H H 128 7.223 7.223 7.540 -0.317 25852 603 1 1 . 1 1 129 129 ASP N N 129 118.030 118.030 119.356 -1.326 25852 604 1 1 . 1 1 129 129 ASP HA H 129 4.460 4.460 4.879 -0.419 25852 605 1 1 . 1 1 129 129 ASP CA C 129 51.485 51.485 56.069 -4.584 25852 606 1 1 . 1 1 129 129 ASP CB C 129 38.195 38.195 41.248 -3.053 25852 607 1 1 . 1 1 129 129 ASP H H 129 7.895 7.895 8.441 -0.546 25852 608 1 1 . 1 1 130 130 ILE N N 130 127.693 127.693 126.488 1.205 25852 609 1 1 . 1 1 130 130 ILE HA H 130 3.797 3.797 4.110 -0.313 25852 610 1 1 . 1 1 130 130 ILE CA C 130 60.522 60.522 62.141 -1.619 25852 611 1 1 . 1 1 130 130 ILE CB C 130 36.090 36.090 38.020 -1.931 25852 612 1 1 . 1 1 130 130 ILE H H 130 8.148 8.148 9.081 -0.933 25852 613 1 1 . 1 1 131 131 ASP N N 131 116.409 116.409 118.148 -1.739 25852 614 1 1 . 1 1 131 131 ASP HA H 131 4.376 4.376 4.682 -0.306 25852 615 1 1 . 1 1 131 131 ASP CA C 131 51.187 51.187 54.419 -3.232 25852 616 1 1 . 1 1 131 131 ASP CB C 131 37.468 37.468 42.170 -4.702 25852 617 1 1 . 1 1 131 131 ASP H H 131 8.288 8.288 8.006 0.282 25852 618 1 1 . 1 1 132 132 GLY N N 132 108.363 108.363 108.399 -0.036 25852 619 1 1 . 1 1 132 132 GLY CA C 132 44.638 44.638 45.377 -0.739 25852 620 1 1 . 1 1 132 132 GLY H H 132 7.630 7.630 7.750 -0.120 25852 621 1 1 . 1 1 133 133 ASP N N 133 120.183 120.183 120.086 0.097 25852 622 1 1 . 1 1 133 133 ASP HA H 133 4.329 4.329 4.543 -0.214 25852 623 1 1 . 1 1 133 133 ASP CA C 133 50.942 50.942 55.264 -4.322 25852 624 1 1 . 1 1 133 133 ASP CB C 133 37.458 37.458 41.745 -4.287 25852 625 1 1 . 1 1 133 133 ASP H H 133 8.298 8.298 8.701 -0.403 25852 626 1 1 . 1 1 134 134 GLY N N 134 112.149 112.149 108.526 3.623 25852 627 1 1 . 1 1 134 134 GLY CA C 134 43.122 43.122 45.060 -1.938 25852 628 1 1 . 1 1 134 134 GLY H H 134 10.079 10.079 7.986 2.093 25852 629 1 1 . 1 1 135 135 GLN N N 135 115.069 115.069 117.756 -2.687 25852 630 1 1 . 1 1 135 135 GLN HA H 135 4.844 4.844 4.562 0.282 25852 631 1 1 . 1 1 135 135 GLN CA C 135 50.454 50.454 54.401 -3.947 25852 632 1 1 . 1 1 135 135 GLN CB C 135 30.614 30.614 31.055 -0.441 25852 633 1 1 . 1 1 135 135 GLN H H 135 7.922 7.922 7.782 0.140 25852 634 1 1 . 1 1 136 136 VAL N N 136 125.107 125.107 126.566 -1.459 25852 635 1 1 . 1 1 136 136 VAL HA H 136 5.096 5.096 4.480 0.616 25852 636 1 1 . 1 1 136 136 VAL CA C 136 58.713 58.713 63.419 -4.705 25852 637 1 1 . 1 1 136 136 VAL CB C 136 31.416 31.416 32.013 -0.597 25852 638 1 1 . 1 1 136 136 VAL H H 136 9.046 9.046 8.076 0.970 25852 639 1 1 . 1 1 137 137 ASN N N 137 128.858 128.858 125.654 3.204 25852 640 1 1 . 1 1 137 137 ASN HA H 137 5.226 5.226 5.077 0.149 25852 641 1 1 . 1 1 137 137 ASN CA C 137 48.352 48.352 53.074 -4.722 25852 642 1 1 . 1 1 137 137 ASN CB C 137 35.640 35.640 40.031 -4.391 25852 643 1 1 . 1 1 137 137 ASN H H 137 9.458 9.458 9.368 0.090 25852 644 1 1 . 1 1 138 138 TYR N N 138 118.481 118.481 121.425 -2.944 25852 645 1 1 . 1 1 138 138 TYR HA H 138 3.603 3.603 4.545 -0.942 25852 646 1 1 . 1 1 138 138 TYR CA C 138 59.669 59.669 62.087 -2.418 25852 647 1 1 . 1 1 138 138 TYR CB C 138 37.572 37.572 38.267 -0.695 25852 648 1 1 . 1 1 138 138 TYR H H 138 8.235 8.235 9.012 -0.777 25852 649 1 1 . 1 1 139 139 GLU N N 139 118.474 118.474 117.791 0.683 25852 650 1 1 . 1 1 139 139 GLU HA H 139 3.868 3.868 3.514 0.354 25852 651 1 1 . 1 1 139 139 GLU CA C 139 57.540 57.540 59.006 -1.466 25852 652 1 1 . 1 1 139 139 GLU CB C 139 26.274 26.274 28.340 -2.066 25852 653 1 1 . 1 1 139 139 GLU H H 139 8.067 8.067 9.064 -0.997 25852 654 1 1 . 1 1 140 140 GLU N N 140 119.279 119.279 119.075 0.204 25852 655 1 1 . 1 1 140 140 GLU HA H 140 3.880 3.880 4.218 -0.338 25852 656 1 1 . 1 1 140 140 GLU CA C 140 56.025 56.025 58.327 -2.302 25852 657 1 1 . 1 1 140 140 GLU CB C 140 26.274 26.274 29.637 -3.363 25852 658 1 1 . 1 1 140 140 GLU H H 140 8.742 8.742 8.467 0.275 25852 659 1 1 . 1 1 141 141 PHE N N 141 124.141 124.141 119.993 4.148 25852 660 1 1 . 1 1 141 141 PHE HA H 141 3.602 3.602 4.206 -0.604 25852 661 1 1 . 1 1 141 141 PHE CA C 141 59.447 59.447 60.796 -1.349 25852 662 1 1 . 1 1 141 141 PHE CB C 141 37.686 37.686 39.194 -1.508 25852 663 1 1 . 1 1 141 141 PHE H H 141 8.593 8.593 7.599 0.994 25852 664 1 1 . 1 1 142 142 VAL N N 142 118.383 118.383 119.271 -0.888 25852 665 1 1 . 1 1 142 142 VAL HA H 142 2.986 2.986 3.946 -0.960 25852 666 1 1 . 1 1 142 142 VAL CA C 142 64.432 64.432 65.207 -0.775 25852 667 1 1 . 1 1 142 142 VAL CB C 142 28.908 28.908 32.227 -3.319 25852 668 1 1 . 1 1 142 142 VAL H H 142 8.776 8.776 8.017 0.759 25852 669 1 1 . 1 1 143 143 GLN N N 143 119.891 119.891 120.363 -0.472 25852 670 1 1 . 1 1 143 143 GLN HA H 143 3.671 3.671 3.896 -0.225 25852 671 1 1 . 1 1 143 143 GLN CA C 143 56.514 56.514 59.015 -2.501 25852 672 1 1 . 1 1 143 143 GLN CB C 143 25.246 25.246 28.527 -3.281 25852 673 1 1 . 1 1 143 143 GLN H H 143 7.787 7.787 7.643 0.144 25852 674 1 1 . 1 1 144 144 MET N N 144 118.429 118.429 116.392 2.037 25852 675 1 1 . 1 1 144 144 MET HA H 144 3.892 3.892 4.224 -0.332 25852 676 1 1 . 1 1 144 144 MET CA C 144 55.683 55.683 57.025 -1.342 25852 677 1 1 . 1 1 144 144 MET CB C 144 28.110 28.110 31.933 -3.823 25852 678 1 1 . 1 1 144 144 MET H H 144 7.450 7.450 7.560 -0.110 25852 679 1 1 . 1 1 145 145 MET N N 145 114.145 114.145 115.993 -1.848 25852 680 1 1 . 1 1 145 145 MET HA H 145 3.905 3.905 4.341 -0.436 25852 681 1 1 . 1 1 145 145 MET CA C 145 53.630 53.630 57.657 -4.027 25852 682 1 1 . 1 1 145 145 MET CB C 145 29.592 29.592 32.983 -3.391 25852 683 1 1 . 1 1 145 145 MET H H 145 7.724 7.724 7.871 -0.147 25852 684 1 1 . 1 1 146 146 THR N N 146 108.482 108.482 113.850 -5.368 25852 685 1 1 . 1 1 146 146 THR HA H 146 4.170 4.170 4.386 -0.216 25852 686 1 1 . 1 1 146 146 THR CA C 146 59.251 59.251 62.382 -3.131 25852 687 1 1 . 1 1 146 146 THR CB C 146 67.896 67.896 70.275 -2.379 25852 688 1 1 . 1 1 146 146 THR H H 146 7.700 7.700 7.619 0.081 25852 689 1 1 . 1 1 147 147 ALA N N 147 126.469 126.469 126.609 -0.140 25852 690 1 1 . 1 1 147 147 ALA HA H 147 4.095 4.095 3.985 0.110 25852 691 1 1 . 1 1 147 147 ALA CA C 147 50.307 50.307 54.341 -4.034 25852 692 1 1 . 1 1 147 147 ALA CB C 147 16.336 16.336 19.039 -2.703 25852 693 1 1 . 1 1 147 147 ALA H H 147 7.291 7.291 8.774 -1.483 25852 694 1 2 . 1 1 3 3 GLN N N 3 118.120 118.120 122.179 -4.059 25852 695 1 2 . 1 1 3 3 GLN HA H 3 4.688 4.688 4.613 0.075 25852 696 1 2 . 1 1 3 3 GLN CA C 3 53.500 53.500 55.243 -1.743 25852 697 1 2 . 1 1 3 3 GLN CB C 3 29.475 29.475 30.393 -0.918 25852 698 1 2 . 1 1 3 3 GLN H H 3 8.134 8.134 8.463 -0.329 25852 699 1 2 . 1 1 4 4 LEU N N 4 121.407 121.407 122.461 -1.054 25852 700 1 2 . 1 1 4 4 LEU HA H 4 4.460 4.460 4.512 -0.052 25852 701 1 2 . 1 1 4 4 LEU CA C 4 51.650 51.650 55.139 -3.489 25852 702 1 2 . 1 1 4 4 LEU CB C 4 40.715 40.715 41.905 -1.190 25852 703 1 2 . 1 1 4 4 LEU H H 4 8.202 8.202 9.306 -1.104 25852 704 1 2 . 1 1 5 5 THR N N 5 112.733 112.733 109.836 2.897 25852 705 1 2 . 1 1 5 5 THR HA H 5 4.265 4.265 4.473 -0.208 25852 706 1 2 . 1 1 5 5 THR CA C 5 59.433 59.433 60.181 -0.748 25852 707 1 2 . 1 1 5 5 THR CB C 5 67.475 67.475 70.857 -3.382 25852 708 1 2 . 1 1 5 5 THR H H 5 8.691 8.691 7.519 1.172 25852 709 1 2 . 1 1 6 6 GLU N N 6 119.971 119.971 119.552 0.419 25852 710 1 2 . 1 1 6 6 GLU HA H 6 3.854 3.854 3.971 -0.117 25852 711 1 2 . 1 1 6 6 GLU CA C 6 56.756 56.756 59.030 -2.274 25852 712 1 2 . 1 1 6 6 GLU CB C 6 26.508 26.508 29.324 -2.816 25852 713 1 2 . 1 1 6 6 GLU H H 6 8.953 8.953 8.857 0.096 25852 714 1 2 . 1 1 7 7 GLU N N 7 119.133 119.133 118.756 0.377 25852 715 1 2 . 1 1 7 7 GLU HA H 7 3.898 3.898 3.956 -0.058 25852 716 1 2 . 1 1 7 7 GLU CA C 7 56.756 56.756 59.186 -2.430 25852 717 1 2 . 1 1 7 7 GLU CB C 7 26.279 26.279 28.714 -2.435 25852 718 1 2 . 1 1 7 7 GLU H H 7 8.653 8.653 8.475 0.178 25852 719 1 2 . 1 1 8 8 GLN N N 8 120.207 120.207 117.844 2.363 25852 720 1 2 . 1 1 8 8 GLN HA H 8 3.957 3.957 4.283 -0.326 25852 721 1 2 . 1 1 8 8 GLN CA C 8 57.099 57.099 58.084 -0.985 25852 722 1 2 . 1 1 8 8 GLN CB C 8 26.737 26.737 28.548 -1.811 25852 723 1 2 . 1 1 8 8 GLN H H 8 7.645 7.645 7.521 0.124 25852 724 1 2 . 1 1 9 9 ILE N N 9 118.171 118.171 119.709 -1.538 25852 725 1 2 . 1 1 9 9 ILE HA H 9 3.354 3.354 3.668 -0.314 25852 726 1 2 . 1 1 9 9 ILE CA C 9 62.714 62.714 64.617 -1.903 25852 727 1 2 . 1 1 9 9 ILE CB C 9 35.216 35.216 37.707 -2.491 25852 728 1 2 . 1 1 9 9 ILE H H 9 8.153 8.153 7.489 0.664 25852 729 1 2 . 1 1 10 10 ALA N N 10 120.124 120.124 120.181 -0.057 25852 730 1 2 . 1 1 10 10 ALA HA H 10 3.966 3.966 3.992 -0.026 25852 731 1 2 . 1 1 10 10 ALA CA C 10 52.746 52.746 55.108 -2.362 25852 732 1 2 . 1 1 10 10 ALA CB C 10 15.165 15.165 19.109 -3.944 25852 733 1 2 . 1 1 10 10 ALA H H 10 7.835 7.835 8.287 -0.452 25852 734 1 2 . 1 1 11 11 GLU N N 11 119.983 119.983 114.662 5.321 25852 735 1 2 . 1 1 11 11 GLU HA H 11 3.904 3.904 4.639 -0.735 25852 736 1 2 . 1 1 11 11 GLU CA C 11 56.560 56.560 56.844 -0.284 25852 737 1 2 . 1 1 11 11 GLU CB C 11 27.425 27.425 31.505 -4.080 25852 738 1 2 . 1 1 11 11 GLU H H 11 7.706 7.706 7.782 -0.076 25852 739 1 2 . 1 1 12 12 PHE N N 12 119.907 119.907 120.134 -0.227 25852 740 1 2 . 1 1 12 12 PHE HA H 12 4.726 4.726 4.395 0.331 25852 741 1 2 . 1 1 12 12 PHE CA C 12 55.839 55.839 61.675 -5.836 25852 742 1 2 . 1 1 12 12 PHE CB C 12 33.955 33.955 38.742 -4.787 25852 743 1 2 . 1 1 12 12 PHE H H 12 8.728 8.728 8.013 0.715 25852 744 1 2 . 1 1 13 13 LYS N N 13 121.208 121.208 119.249 1.959 25852 745 1 2 . 1 1 13 13 LYS HA H 13 3.904 3.904 4.036 -0.132 25852 746 1 2 . 1 1 13 13 LYS CA C 13 57.290 57.290 59.131 -1.841 25852 747 1 2 . 1 1 13 13 LYS CB C 13 30.174 30.174 32.203 -2.029 25852 748 1 2 . 1 1 13 13 LYS H H 13 9.161 9.161 7.969 1.192 25852 749 1 2 . 1 1 14 14 GLU N N 14 120.226 120.226 120.295 -0.069 25852 750 1 2 . 1 1 14 14 GLU HA H 14 3.953 3.953 4.202 -0.249 25852 751 1 2 . 1 1 14 14 GLU CA C 14 56.460 56.460 59.023 -2.563 25852 752 1 2 . 1 1 14 14 GLU CB C 14 26.623 26.623 29.024 -2.401 25852 753 1 2 . 1 1 14 14 GLU H H 14 7.980 7.980 8.133 -0.153 25852 754 1 2 . 1 1 15 15 ALA N N 15 120.572 120.572 121.760 -1.188 25852 755 1 2 . 1 1 15 15 ALA HA H 15 4.170 4.170 4.157 0.013 25852 756 1 2 . 1 1 15 15 ALA CA C 15 52.750 52.750 54.737 -1.987 25852 757 1 2 . 1 1 15 15 ALA CB C 15 16.425 16.425 18.443 -2.018 25852 758 1 2 . 1 1 15 15 ALA H H 15 7.563 7.563 7.898 -0.335 25852 759 1 2 . 1 1 16 16 PHE N N 16 117.784 117.784 116.130 1.654 25852 760 1 2 . 1 1 16 16 PHE HA H 16 3.904 3.904 4.373 -0.469 25852 761 1 2 . 1 1 16 16 PHE CA C 16 59.540 59.540 60.301 -0.761 25852 762 1 2 . 1 1 16 16 PHE CB C 16 36.820 36.820 40.201 -3.381 25852 763 1 2 . 1 1 16 16 PHE H H 16 8.453 8.453 7.553 0.900 25852 764 1 2 . 1 1 17 17 SER N N 17 110.774 110.774 114.201 -3.427 25852 765 1 2 . 1 1 17 17 SER HA H 17 4.086 4.086 4.291 -0.205 25852 766 1 2 . 1 1 17 17 SER CA C 17 58.560 58.560 59.465 -0.904 25852 767 1 2 . 1 1 17 17 SER CB C 17 60.651 60.651 63.343 -2.692 25852 768 1 2 . 1 1 17 17 SER H H 17 8.351 8.351 8.445 -0.094 25852 769 1 2 . 1 1 18 18 LEU N N 18 120.947 120.947 121.267 -0.320 25852 770 1 2 . 1 1 18 18 LEU HA H 18 3.614 3.614 4.105 -0.491 25852 771 1 2 . 1 1 18 18 LEU CA C 18 55.839 55.839 58.155 -2.316 25852 772 1 2 . 1 1 18 18 LEU CB C 18 39.111 39.111 42.556 -3.445 25852 773 1 2 . 1 1 18 18 LEU H H 18 7.278 7.278 8.416 -1.138 25852 774 1 2 . 1 1 19 19 PHE N N 19 114.458 114.458 113.777 0.681 25852 775 1 2 . 1 1 19 19 PHE HA H 19 3.904 3.904 4.557 -0.653 25852 776 1 2 . 1 1 19 19 PHE CA C 19 56.870 56.870 57.595 -0.725 25852 777 1 2 . 1 1 19 19 PHE CB C 19 33.841 33.841 41.217 -7.376 25852 778 1 2 . 1 1 19 19 PHE H H 19 7.304 7.304 7.677 -0.373 25852 779 1 2 . 1 1 20 20 ASP N N 20 122.233 122.233 121.568 0.665 25852 780 1 2 . 1 1 20 20 ASP HA H 20 4.874 4.874 4.536 0.338 25852 781 1 2 . 1 1 20 20 ASP CA C 20 50.454 50.454 53.592 -3.138 25852 782 1 2 . 1 1 20 20 ASP CB C 20 37.622 37.622 38.895 -1.273 25852 783 1 2 . 1 1 20 20 ASP H H 20 7.233 7.233 8.058 -0.825 25852 784 1 2 . 1 1 21 21 LYS N N 21 123.433 123.433 120.203 3.230 25852 785 1 2 . 1 1 21 21 LYS HA H 21 3.771 3.771 4.239 -0.468 25852 786 1 2 . 1 1 21 21 LYS CA C 21 56.025 56.025 57.306 -1.281 25852 787 1 2 . 1 1 21 21 LYS CB C 21 29.601 29.601 32.463 -2.862 25852 788 1 2 . 1 1 21 21 LYS H H 21 8.007 8.007 8.001 0.006 25852 789 1 2 . 1 1 22 22 ASP N N 22 116.890 116.890 120.054 -3.164 25852 790 1 2 . 1 1 22 22 ASP HA H 22 4.400 4.400 4.514 -0.114 25852 791 1 2 . 1 1 22 22 ASP CA C 22 50.683 50.683 54.952 -4.269 25852 792 1 2 . 1 1 22 22 ASP CB C 22 37.049 37.049 41.096 -4.047 25852 793 1 2 . 1 1 22 22 ASP H H 22 8.641 8.641 8.259 0.382 25852 794 1 2 . 1 1 23 23 GLY N N 23 110.068 110.068 107.231 2.837 25852 795 1 2 . 1 1 23 23 GLY CA C 23 43.745 43.745 45.315 -1.570 25852 796 1 2 . 1 1 23 23 GLY H H 23 7.938 7.938 8.345 -0.407 25852 797 1 2 . 1 1 24 24 ASP N N 24 120.219 120.219 120.435 -0.216 25852 798 1 2 . 1 1 24 24 ASP HA H 24 4.367 4.367 4.672 -0.305 25852 799 1 2 . 1 1 24 24 ASP CA C 24 51.040 51.040 53.709 -2.669 25852 800 1 2 . 1 1 24 24 ASP CB C 24 37.438 37.438 41.043 -3.605 25852 801 1 2 . 1 1 24 24 ASP H H 24 8.723 8.723 8.142 0.581 25852 802 1 2 . 1 1 25 25 GLY N N 25 111.889 111.889 109.036 2.853 25852 803 1 2 . 1 1 25 25 GLY CA C 25 42.680 42.680 45.627 -2.947 25852 804 1 2 . 1 1 25 25 GLY H H 25 10.132 10.132 8.430 1.702 25852 805 1 2 . 1 1 26 26 THR N N 26 109.844 109.844 116.503 -6.659 25852 806 1 2 . 1 1 26 26 THR HA H 26 5.386 5.386 4.209 1.177 25852 807 1 2 . 1 1 26 26 THR CA C 26 56.950 56.950 59.829 -2.879 25852 808 1 2 . 1 1 26 26 THR CB C 26 70.234 70.234 71.863 -1.629 25852 809 1 2 . 1 1 26 26 THR H H 26 7.507 7.507 7.654 -0.147 25852 810 1 2 . 1 1 27 27 ILE N N 27 110.289 110.289 116.781 -6.492 25852 811 1 2 . 1 1 27 27 ILE HA H 27 3.891 3.891 4.316 -0.425 25852 812 1 2 . 1 1 27 27 ILE CA C 27 58.360 58.360 60.627 -2.267 25852 813 1 2 . 1 1 27 27 ILE CB C 27 35.559 35.559 38.512 -2.953 25852 814 1 2 . 1 1 27 27 ILE H H 27 8.191 8.191 8.239 -0.048 25852 815 1 2 . 1 1 28 28 THR N N 28 110.507 110.507 115.616 -5.109 25852 816 1 2 . 1 1 28 28 THR HA H 28 4.895 4.895 4.212 0.683 25852 817 1 2 . 1 1 28 28 THR CA C 28 57.787 57.787 62.406 -4.619 25852 818 1 2 . 1 1 28 28 THR CB C 28 68.099 68.099 69.772 -1.673 25852 819 1 2 . 1 1 28 28 THR H H 28 8.265 8.265 8.150 0.115 25852 820 1 2 . 1 1 29 29 THR N N 29 112.331 112.331 115.024 -2.693 25852 821 1 2 . 1 1 29 29 THR HA H 29 3.941 3.941 4.095 -0.154 25852 822 1 2 . 1 1 29 29 THR CA C 29 63.840 63.840 65.465 -1.625 25852 823 1 2 . 1 1 29 29 THR CB C 29 65.807 65.807 68.729 -2.922 25852 824 1 2 . 1 1 29 29 THR H H 29 8.225 8.225 8.533 -0.308 25852 825 1 2 . 1 1 30 30 LYS N N 30 118.985 118.985 120.637 -1.652 25852 826 1 2 . 1 1 30 30 LYS HA H 30 3.965 3.965 4.069 -0.104 25852 827 1 2 . 1 1 30 30 LYS CA C 30 55.839 55.839 58.890 -3.051 25852 828 1 2 . 1 1 30 30 LYS CB C 30 29.372 29.372 32.115 -2.743 25852 829 1 2 . 1 1 30 30 LYS H H 30 7.559 7.559 8.579 -1.020 25852 830 1 2 . 1 1 31 31 GLU N N 31 117.233 117.233 116.126 1.107 25852 831 1 2 . 1 1 31 31 GLU HA H 31 3.965 3.965 4.220 -0.255 25852 832 1 2 . 1 1 31 31 GLU CA C 31 57.140 57.140 56.535 0.605 25852 833 1 2 . 1 1 31 31 GLU CB C 31 26.393 26.393 30.044 -3.651 25852 834 1 2 . 1 1 31 31 GLU H H 31 7.431 7.431 8.055 -0.624 25852 835 1 2 . 1 1 32 32 LEU N N 32 120.701 120.701 122.769 -2.068 25852 836 1 2 . 1 1 32 32 LEU HA H 32 3.880 3.880 3.927 -0.047 25852 837 1 2 . 1 1 32 32 LEU CA C 32 55.520 55.520 58.010 -2.490 25852 838 1 2 . 1 1 32 32 LEU CB C 32 39.226 39.226 41.444 -2.218 25852 839 1 2 . 1 1 32 32 LEU H H 32 7.270 7.270 7.565 -0.295 25852 840 1 2 . 1 1 33 33 GLY N N 33 105.217 105.217 105.415 -0.198 25852 841 1 2 . 1 1 33 33 GLY CA C 33 45.642 45.642 47.536 -1.894 25852 842 1 2 . 1 1 33 33 GLY H H 33 8.737 8.737 8.443 0.294 25852 843 1 2 . 1 1 34 34 THR N N 34 118.196 118.196 118.265 -0.069 25852 844 1 2 . 1 1 34 34 THR HA H 34 3.916 3.916 4.065 -0.149 25852 845 1 2 . 1 1 34 34 THR CA C 34 63.859 63.859 65.933 -2.074 25852 846 1 2 . 1 1 34 34 THR CB C 34 65.807 65.807 68.396 -2.589 25852 847 1 2 . 1 1 34 34 THR H H 34 7.446 7.446 7.324 0.122 25852 848 1 2 . 1 1 35 35 VAL N N 35 122.546 122.546 121.486 1.060 25852 849 1 2 . 1 1 35 35 VAL HA H 35 3.373 3.373 3.857 -0.484 25852 850 1 2 . 1 1 35 35 VAL CA C 35 64.088 64.088 65.041 -0.953 25852 851 1 2 . 1 1 35 35 VAL CB C 35 28.799 28.799 30.409 -1.610 25852 852 1 2 . 1 1 35 35 VAL H H 35 7.889 7.889 7.546 0.343 25852 853 1 2 . 1 1 36 36 MET N N 36 118.307 118.307 117.601 0.706 25852 854 1 2 . 1 1 36 36 MET HA H 36 3.880 3.880 4.293 -0.413 25852 855 1 2 . 1 1 36 36 MET CA C 36 56.870 56.870 57.151 -0.282 25852 856 1 2 . 1 1 36 36 MET CB C 36 26.279 26.279 32.300 -6.021 25852 857 1 2 . 1 1 36 36 MET H H 36 8.386 8.386 8.016 0.370 25852 858 1 2 . 1 1 37 37 ARG N N 37 119.233 119.233 119.440 -0.207 25852 859 1 2 . 1 1 37 37 ARG HA H 37 3.904 3.904 4.589 -0.685 25852 860 1 2 . 1 1 37 37 ARG CA C 37 56.170 56.170 58.474 -2.304 25852 861 1 2 . 1 1 37 37 ARG CB C 37 27.310 27.310 30.255 -2.945 25852 862 1 2 . 1 1 37 37 ARG H H 37 8.451 8.451 8.324 0.127 25852 863 1 2 . 1 1 38 38 SER N N 38 118.720 118.720 117.139 1.581 25852 864 1 2 . 1 1 38 38 SER HA H 38 4.176 4.176 4.284 -0.108 25852 865 1 2 . 1 1 38 38 SER CA C 38 59.250 59.250 61.437 -2.187 25852 866 1 2 . 1 1 38 38 SER CB C 38 67.411 67.411 62.894 4.517 25852 867 1 2 . 1 1 38 38 SER H H 38 8.040 8.040 8.334 -0.294 25852 868 1 2 . 1 1 39 39 LEU N N 39 120.896 120.896 118.378 2.518 25852 869 1 2 . 1 1 39 39 LEU HA H 39 4.460 4.460 4.392 0.068 25852 870 1 2 . 1 1 39 39 LEU CA C 39 51.330 51.330 54.719 -3.389 25852 871 1 2 . 1 1 39 39 LEU CB C 39 40.257 40.257 42.248 -1.990 25852 872 1 2 . 1 1 39 39 LEU H H 39 7.263 7.263 7.405 -0.142 25852 873 1 2 . 1 1 40 40 GLY N N 40 106.917 106.917 105.704 1.213 25852 874 1 2 . 1 1 40 40 GLY CA C 40 42.880 42.880 44.546 -1.666 25852 875 1 2 . 1 1 40 40 GLY H H 40 7.841 7.841 7.967 -0.126 25852 876 1 2 . 1 1 41 41 GLN N N 41 117.171 117.171 119.842 -2.671 25852 877 1 2 . 1 1 41 41 GLN HA H 41 4.243 4.243 4.250 -0.007 25852 878 1 2 . 1 1 41 41 GLN CA C 41 52.631 52.631 55.404 -2.773 25852 879 1 2 . 1 1 41 41 GLN CB C 41 30.747 30.747 29.802 0.945 25852 880 1 2 . 1 1 41 41 GLN H H 41 7.687 7.687 7.734 -0.047 25852 881 1 2 . 1 1 42 42 ASN N N 42 116.423 116.423 120.871 -4.448 25852 882 1 2 . 1 1 42 42 ASN HA H 42 5.016 5.016 5.012 0.004 25852 883 1 2 . 1 1 42 42 ASN CA C 42 48.640 48.640 50.260 -1.619 25852 884 1 2 . 1 1 42 42 ASN CB C 42 36.591 36.591 38.724 -2.133 25852 885 1 2 . 1 1 42 42 ASN H H 42 8.601 8.601 8.640 -0.039 25852 886 1 2 . 1 1 44 44 THR N N 44 113.033 113.033 113.970 -0.937 25852 887 1 2 . 1 1 44 44 THR HA H 44 4.279 4.279 4.512 -0.233 25852 888 1 2 . 1 1 44 44 THR CA C 44 57.640 57.640 61.120 -3.479 25852 889 1 2 . 1 1 44 44 THR CB C 44 68.328 68.328 70.581 -2.253 25852 890 1 2 . 1 1 44 44 THR H H 44 8.711 8.711 8.262 0.449 25852 891 1 2 . 1 1 45 45 GLU N N 45 120.233 120.233 122.909 -2.676 25852 892 1 2 . 1 1 45 45 GLU HA H 45 3.892 3.892 4.185 -0.293 25852 893 1 2 . 1 1 45 45 GLU CA C 45 56.756 56.756 58.967 -2.211 25852 894 1 2 . 1 1 45 45 GLU CB C 45 26.393 26.393 29.425 -3.032 25852 895 1 2 . 1 1 45 45 GLU H H 45 8.781 8.781 8.953 -0.172 25852 896 1 2 . 1 1 46 46 ALA N N 46 120.833 120.833 122.421 -1.588 25852 897 1 2 . 1 1 46 46 ALA HA H 46 3.868 3.868 4.202 -0.334 25852 898 1 2 . 1 1 46 46 ALA CA C 46 52.310 52.310 54.691 -2.381 25852 899 1 2 . 1 1 46 46 ALA CB C 46 15.394 15.394 18.234 -2.840 25852 900 1 2 . 1 1 46 46 ALA H H 46 8.251 8.251 8.141 0.110 25852 901 1 2 . 1 1 47 47 GLU N N 47 118.672 118.672 117.868 0.804 25852 902 1 2 . 1 1 47 47 GLU HA H 47 3.965 3.965 4.251 -0.286 25852 903 1 2 . 1 1 47 47 GLU CA C 47 56.641 56.641 58.622 -1.981 25852 904 1 2 . 1 1 47 47 GLU CB C 47 26.623 26.623 29.294 -2.671 25852 905 1 2 . 1 1 47 47 GLU H H 47 7.668 7.668 8.572 -0.904 25852 906 1 2 . 1 1 48 48 LEU N N 48 119.645 119.645 119.682 -0.037 25852 907 1 2 . 1 1 48 48 LEU HA H 48 3.892 3.892 4.175 -0.283 25852 908 1 2 . 1 1 48 48 LEU CA C 48 55.610 55.610 57.619 -2.009 25852 909 1 2 . 1 1 48 48 LEU CB C 48 39.340 39.340 41.468 -2.128 25852 910 1 2 . 1 1 48 48 LEU H H 48 8.244 8.244 7.745 0.499 25852 911 1 2 . 1 1 49 49 GLN N N 49 117.446 117.446 117.340 0.106 25852 912 1 2 . 1 1 49 49 GLN HA H 49 3.892 3.892 4.269 -0.377 25852 913 1 2 . 1 1 49 49 GLN CA C 49 56.756 56.756 57.812 -1.056 25852 914 1 2 . 1 1 49 49 GLN CB C 49 26.508 26.508 28.875 -2.367 25852 915 1 2 . 1 1 49 49 GLN H H 49 7.980 7.980 7.808 0.172 25852 916 1 2 . 1 1 50 50 ASP N N 50 118.733 118.733 121.119 -2.386 25852 917 1 2 . 1 1 50 50 ASP HA H 50 4.267 4.267 4.575 -0.308 25852 918 1 2 . 1 1 50 50 ASP CA C 50 54.700 54.700 56.944 -2.244 25852 919 1 2 . 1 1 50 50 ASP CB C 50 37.622 37.622 41.238 -3.616 25852 920 1 2 . 1 1 50 50 ASP H H 50 7.761 7.761 7.653 0.108 25852 921 1 2 . 1 1 51 51 MET N N 51 118.996 118.996 118.395 0.601 25852 922 1 2 . 1 1 51 51 MET HA H 51 3.892 3.892 4.371 -0.479 25852 923 1 2 . 1 1 51 51 MET CA C 51 56.560 56.560 58.930 -2.370 25852 924 1 2 . 1 1 51 51 MET CB C 51 29.601 29.601 33.483 -3.882 25852 925 1 2 . 1 1 51 51 MET H H 51 7.900 7.900 8.385 -0.485 25852 926 1 2 . 1 1 52 52 ILE N N 52 118.833 118.833 120.193 -1.360 25852 927 1 2 . 1 1 52 52 ILE HA H 52 3.348 3.348 3.783 -0.435 25852 928 1 2 . 1 1 52 52 ILE CA C 52 62.484 62.484 64.418 -1.934 25852 929 1 2 . 1 1 52 52 ILE CB C 52 35.330 35.330 37.586 -2.256 25852 930 1 2 . 1 1 52 52 ILE H H 52 8.261 8.261 7.674 0.587 25852 931 1 2 . 1 1 53 53 ASN N N 53 117.296 117.296 116.575 0.721 25852 932 1 2 . 1 1 53 53 ASN HA H 53 4.243 4.243 4.474 -0.231 25852 933 1 2 . 1 1 53 53 ASN CA C 53 53.090 53.090 56.004 -2.914 25852 934 1 2 . 1 1 53 53 ASN CB C 53 35.330 35.330 38.720 -3.390 25852 935 1 2 . 1 1 53 53 ASN H H 53 8.186 8.186 7.630 0.556 25852 936 1 2 . 1 1 54 54 GLU N N 54 117.133 117.133 117.756 -0.623 25852 937 1 2 . 1 1 54 54 GLU HA H 54 3.965 3.965 4.208 -0.243 25852 938 1 2 . 1 1 54 54 GLU CA C 54 56.412 56.412 58.151 -1.739 25852 939 1 2 . 1 1 54 54 GLU CB C 54 26.508 26.508 30.300 -3.792 25852 940 1 2 . 1 1 54 54 GLU H H 54 7.501 7.501 7.650 -0.149 25852 941 1 2 . 1 1 55 55 VAL N N 55 112.928 112.928 118.520 -5.592 25852 942 1 2 . 1 1 55 55 VAL HA H 55 4.194 4.194 4.037 0.157 25852 943 1 2 . 1 1 55 55 VAL CA C 55 59.505 59.505 65.236 -5.731 25852 944 1 2 . 1 1 55 55 VAL CB C 55 30.174 30.174 32.500 -2.326 25852 945 1 2 . 1 1 55 55 VAL H H 55 7.575 7.575 8.209 -0.634 25852 946 1 2 . 1 1 56 56 ASP N N 56 121.771 121.771 120.555 1.216 25852 947 1 2 . 1 1 56 56 ASP HA H 56 4.388 4.388 4.509 -0.121 25852 948 1 2 . 1 1 56 56 ASP CA C 56 50.990 50.990 54.297 -3.307 25852 949 1 2 . 1 1 56 56 ASP CB C 56 36.820 36.820 39.681 -2.861 25852 950 1 2 . 1 1 56 56 ASP H H 56 8.401 8.401 8.010 0.391 25852 951 1 2 . 1 1 57 57 ALA N N 57 124.771 124.771 121.100 3.671 25852 952 1 2 . 1 1 57 57 ALA HA H 57 4.001 4.001 4.285 -0.284 25852 953 1 2 . 1 1 57 57 ALA CA C 57 52.402 52.402 53.454 -1.052 25852 954 1 2 . 1 1 57 57 ALA CB C 57 15.280 15.280 19.180 -3.901 25852 955 1 2 . 1 1 57 57 ALA H H 57 8.097 8.097 8.066 0.031 25852 956 1 2 . 1 1 58 58 ASP N N 58 114.518 114.518 119.252 -4.734 25852 957 1 2 . 1 1 58 58 ASP HA H 58 4.400 4.400 4.653 -0.253 25852 958 1 2 . 1 1 58 58 ASP CA C 58 50.798 50.798 54.267 -3.469 25852 959 1 2 . 1 1 58 58 ASP CB C 58 36.934 36.934 41.906 -4.972 25852 960 1 2 . 1 1 58 58 ASP H H 58 8.376 8.376 7.812 0.564 25852 961 1 2 . 1 1 59 59 GLY N N 59 108.798 108.798 108.121 0.677 25852 962 1 2 . 1 1 59 59 GLY CA C 59 44.490 44.490 45.500 -1.010 25852 963 1 2 . 1 1 59 59 GLY H H 59 7.827 7.827 8.716 -0.889 25852 964 1 2 . 1 1 60 60 ASN N N 60 119.696 119.696 118.012 1.684 25852 965 1 2 . 1 1 60 60 ASN HA H 60 4.688 4.688 4.680 0.008 25852 966 1 2 . 1 1 60 60 ASN CA C 60 51.943 51.943 53.009 -1.066 25852 967 1 2 . 1 1 60 60 ASN CB C 60 38.424 38.424 39.368 -0.944 25852 968 1 2 . 1 1 60 60 ASN H H 60 9.253 9.253 8.211 1.042 25852 969 1 2 . 1 1 61 61 GLY N N 61 110.108 110.108 109.619 0.489 25852 970 1 2 . 1 1 61 61 GLY CA C 61 42.870 42.870 46.075 -3.205 25852 971 1 2 . 1 1 61 61 GLY H H 61 10.004 10.004 8.070 1.934 25852 972 1 2 . 1 1 62 62 THR N N 62 110.533 110.533 112.655 -2.122 25852 973 1 2 . 1 1 62 62 THR HA H 62 4.629 4.629 4.529 0.100 25852 974 1 2 . 1 1 62 62 THR CA C 62 59.162 59.162 61.075 -1.913 25852 975 1 2 . 1 1 62 62 THR CB C 62 67.526 67.526 72.547 -5.021 25852 976 1 2 . 1 1 62 62 THR H H 62 7.481 7.481 7.416 0.065 25852 977 1 2 . 1 1 63 63 ILE N N 63 118.533 118.533 123.497 -4.964 25852 978 1 2 . 1 1 63 63 ILE HA H 63 3.783 3.783 4.293 -0.510 25852 979 1 2 . 1 1 63 63 ILE CA C 63 60.537 60.537 58.643 1.894 25852 980 1 2 . 1 1 63 63 ILE CB C 63 36.018 36.018 36.326 -0.308 25852 981 1 2 . 1 1 63 63 ILE H H 63 8.820 8.820 8.766 0.054 25852 982 1 2 . 1 1 64 64 ASP N N 64 122.928 122.928 126.293 -3.365 25852 983 1 2 . 1 1 64 64 ASP HA H 64 4.327 4.327 4.425 -0.098 25852 984 1 2 . 1 1 64 64 ASP CA C 64 51.027 51.027 56.573 -5.546 25852 985 1 2 . 1 1 64 64 ASP CB C 64 37.278 37.278 41.569 -4.291 25852 986 1 2 . 1 1 64 64 ASP H H 64 8.380 8.380 8.016 0.364 25852 987 1 2 . 1 1 65 65 PHE N N 65 118.559 118.559 118.956 -0.397 25852 988 1 2 . 1 1 65 65 PHE HA H 65 3.880 3.880 4.607 -0.727 25852 989 1 2 . 1 1 65 65 PHE CA C 65 56.870 56.870 60.806 -3.936 25852 990 1 2 . 1 1 65 65 PHE CB C 65 33.497 33.497 36.712 -3.215 25852 991 1 2 . 1 1 65 65 PHE H H 65 8.559 8.559 8.636 -0.077 25852 992 1 2 . 1 1 67 67 GLU N N 67 117.546 117.546 114.996 2.550 25852 993 1 2 . 1 1 67 67 GLU HA H 67 3.904 3.904 4.307 -0.403 25852 994 1 2 . 1 1 67 67 GLU CA C 67 56.870 56.870 57.483 -0.613 25852 995 1 2 . 1 1 67 67 GLU CB C 67 26.623 26.623 30.195 -3.572 25852 996 1 2 . 1 1 67 67 GLU H H 67 7.995 7.995 8.300 -0.305 25852 997 1 2 . 1 1 68 68 PHE N N 68 122.032 122.032 119.131 2.901 25852 998 1 2 . 1 1 68 68 PHE HA H 68 3.904 3.904 4.553 -0.649 25852 999 1 2 . 1 1 68 68 PHE CA C 68 59.047 59.047 58.440 0.607 25852 1000 1 2 . 1 1 68 68 PHE CB C 68 36.934 36.934 38.538 -1.604 25852 1001 1 2 . 1 1 68 68 PHE H H 68 8.377 8.377 7.894 0.483 25852 1002 1 2 . 1 1 69 69 LEU N N 69 118.488 118.488 119.621 -1.133 25852 1003 1 2 . 1 1 69 69 LEU HA H 69 3.179 3.179 3.591 -0.412 25852 1004 1 2 . 1 1 69 69 LEU CA C 69 55.158 55.158 57.461 -2.303 25852 1005 1 2 . 1 1 69 69 LEU CB C 69 38.195 38.195 41.117 -2.922 25852 1006 1 2 . 1 1 69 69 LEU H H 69 8.393 8.393 7.402 0.991 25852 1007 1 2 . 1 1 70 70 THR N N 70 115.208 115.208 114.228 0.980 25852 1008 1 2 . 1 1 70 70 THR HA H 70 3.638 3.638 3.904 -0.266 25852 1009 1 2 . 1 1 70 70 THR CA C 70 63.630 63.630 65.706 -2.076 25852 1010 1 2 . 1 1 70 70 THR CB C 70 65.578 65.578 67.983 -2.405 25852 1011 1 2 . 1 1 70 70 THR H H 70 7.658 7.658 7.959 -0.301 25852 1012 1 2 . 1 1 71 71 MET N N 71 121.221 121.221 117.940 3.281 25852 1013 1 2 . 1 1 71 71 MET HA H 71 3.892 3.892 4.304 -0.412 25852 1014 1 2 . 1 1 71 71 MET CA C 71 56.303 56.303 58.487 -2.184 25852 1015 1 2 . 1 1 71 71 MET CB C 71 29.831 29.831 31.947 -2.115 25852 1016 1 2 . 1 1 71 71 MET H H 71 7.653 7.653 7.263 0.390 25852 1017 1 2 . 1 1 72 72 MET N N 72 117.459 117.459 118.279 -0.820 25852 1018 1 2 . 1 1 72 72 MET HA H 72 3.892 3.892 4.345 -0.453 25852 1019 1 2 . 1 1 72 72 MET CA C 72 53.777 53.777 57.423 -3.646 25852 1020 1 2 . 1 1 72 72 MET CB C 72 29.029 29.029 32.474 -3.445 25852 1021 1 2 . 1 1 72 72 MET H H 72 7.956 7.956 7.398 0.558 25852 1022 1 2 . 1 1 73 73 ALA N N 73 120.856 120.856 120.722 0.134 25852 1023 1 2 . 1 1 73 73 ALA HA H 73 3.868 3.868 4.191 -0.323 25852 1024 1 2 . 1 1 73 73 ALA CA C 73 52.402 52.402 54.279 -1.877 25852 1025 1 2 . 1 1 73 73 ALA CB C 73 15.280 15.280 19.015 -3.735 25852 1026 1 2 . 1 1 73 73 ALA H H 73 8.230 8.230 8.289 -0.059 25852 1027 1 2 . 1 1 74 74 ARG N N 74 116.530 116.530 116.433 0.097 25852 1028 1 2 . 1 1 74 74 ARG HA H 74 3.892 3.892 4.177 -0.285 25852 1029 1 2 . 1 1 74 74 ARG CA C 74 56.297 56.297 57.853 -1.556 25852 1030 1 2 . 1 1 74 74 ARG CB C 74 27.997 27.997 29.337 -1.340 25852 1031 1 2 . 1 1 74 74 ARG H H 74 7.409 7.409 7.675 -0.266 25852 1032 1 2 . 1 1 75 75 LYS N N 75 118.008 118.008 119.549 -1.541 25852 1033 1 2 . 1 1 75 75 LYS HA H 75 3.965 3.965 4.123 -0.158 25852 1034 1 2 . 1 1 75 75 LYS CA C 75 55.495 55.495 58.639 -3.143 25852 1035 1 2 . 1 1 75 75 LYS CB C 75 26.279 26.279 32.561 -6.282 25852 1036 1 2 . 1 1 75 75 LYS H H 75 7.657 7.657 7.692 -0.035 25852 1037 1 2 . 1 1 76 76 MET N N 76 117.646 117.646 113.388 4.258 25852 1038 1 2 . 1 1 76 76 MET HA H 76 4.146 4.146 4.639 -0.493 25852 1039 1 2 . 1 1 76 76 MET CA C 76 53.947 53.947 56.366 -2.419 25852 1040 1 2 . 1 1 76 76 MET CB C 76 29.487 29.487 34.424 -4.937 25852 1041 1 2 . 1 1 76 76 MET H H 76 7.883 7.883 7.356 0.527 25852 1042 1 2 . 1 1 77 77 LYS N N 77 120.334 120.334 120.251 0.083 25852 1043 1 2 . 1 1 77 77 LYS HA H 77 3.941 3.941 4.067 -0.126 25852 1044 1 2 . 1 1 77 77 LYS CA C 77 56.526 56.526 58.741 -2.215 25852 1045 1 2 . 1 1 77 77 LYS CB C 77 27.425 27.425 32.239 -4.814 25852 1046 1 2 . 1 1 77 77 LYS H H 77 7.658 7.658 7.946 -0.288 25852 1047 1 2 . 1 1 78 78 ASP N N 78 121.733 121.733 116.663 5.070 25852 1048 1 2 . 1 1 78 78 ASP HA H 78 4.194 4.194 4.758 -0.564 25852 1049 1 2 . 1 1 78 78 ASP CA C 78 52.516 52.516 55.163 -2.647 25852 1050 1 2 . 1 1 78 78 ASP CB C 78 40.028 40.028 42.068 -2.039 25852 1051 1 2 . 1 1 78 78 ASP H H 78 8.212 8.212 8.145 0.067 25852 1052 1 2 . 1 1 79 79 THR N N 79 114.651 114.651 117.254 -2.603 25852 1053 1 2 . 1 1 79 79 THR HA H 79 4.170 4.170 4.231 -0.061 25852 1054 1 2 . 1 1 79 79 THR CA C 79 59.391 59.391 62.212 -2.821 25852 1055 1 2 . 1 1 79 79 THR CB C 79 67.067 67.067 69.031 -1.964 25852 1056 1 2 . 1 1 79 79 THR H H 79 8.048 8.048 7.362 0.686 25852 1057 1 2 . 1 1 80 80 ASP N N 80 122.484 122.484 127.574 -5.090 25852 1058 1 2 . 1 1 80 80 ASP HA H 80 4.363 4.363 4.435 -0.072 25852 1059 1 2 . 1 1 80 80 ASP CA C 80 50.850 50.850 55.289 -4.439 25852 1060 1 2 . 1 1 80 80 ASP CB C 80 36.705 36.705 42.503 -5.798 25852 1061 1 2 . 1 1 80 80 ASP H H 80 8.432 8.432 8.299 0.133 25852 1062 1 2 . 1 1 81 81 SER N N 81 117.135 117.135 118.193 -1.058 25852 1063 1 2 . 1 1 81 81 SER HA H 81 4.267 4.267 4.523 -0.256 25852 1064 1 2 . 1 1 81 81 SER CA C 81 56.870 56.870 59.994 -3.124 25852 1065 1 2 . 1 1 81 81 SER CB C 81 60.884 60.884 63.399 -2.515 25852 1066 1 2 . 1 1 81 81 SER H H 81 8.403 8.403 8.641 -0.238 25852 1067 1 2 . 1 1 82 82 GLU N N 82 121.723 121.723 121.072 0.651 25852 1068 1 2 . 1 1 82 82 GLU HA H 82 3.883 3.883 4.176 -0.293 25852 1069 1 2 . 1 1 82 82 GLU CA C 82 56.707 56.707 59.119 -2.412 25852 1070 1 2 . 1 1 82 82 GLU CB C 82 29.831 29.831 29.532 0.299 25852 1071 1 2 . 1 1 82 82 GLU H H 82 8.443 8.443 7.938 0.505 25852 1072 1 2 . 1 1 83 83 GLU N N 83 119.259 119.259 117.013 2.246 25852 1073 1 2 . 1 1 83 83 GLU HA H 83 3.883 3.883 4.141 -0.258 25852 1074 1 2 . 1 1 83 83 GLU CA C 83 56.606 56.606 58.547 -1.941 25852 1075 1 2 . 1 1 83 83 GLU CB C 83 29.364 29.364 28.941 0.423 25852 1076 1 2 . 1 1 83 83 GLU H H 83 8.118 8.118 8.653 -0.535 25852 1077 1 2 . 1 1 84 84 GLU N N 84 118.060 118.060 118.446 -0.386 25852 1078 1 2 . 1 1 84 84 GLU HA H 84 3.871 3.871 4.507 -0.636 25852 1079 1 2 . 1 1 84 84 GLU CA C 84 56.606 56.606 58.117 -1.511 25852 1080 1 2 . 1 1 84 84 GLU CB C 84 25.817 25.817 29.606 -3.789 25852 1081 1 2 . 1 1 84 84 GLU H H 84 8.212 8.212 7.564 0.648 25852 1082 1 2 . 1 1 85 85 ILE N N 85 120.736 120.736 117.634 3.102 25852 1083 1 2 . 1 1 85 85 ILE HA H 85 3.678 3.678 4.101 -0.423 25852 1084 1 2 . 1 1 85 85 ILE CA C 85 62.484 62.484 64.635 -2.151 25852 1085 1 2 . 1 1 85 85 ILE CB C 85 35.445 35.445 38.576 -3.131 25852 1086 1 2 . 1 1 85 85 ILE H H 85 7.964 7.964 7.293 0.671 25852 1087 1 2 . 1 1 86 86 ARG N N 86 121.452 121.452 119.282 2.170 25852 1088 1 2 . 1 1 86 86 ARG HA H 86 3.989 3.989 4.124 -0.135 25852 1089 1 2 . 1 1 86 86 ARG CA C 86 56.985 56.985 59.308 -2.323 25852 1090 1 2 . 1 1 86 86 ARG CB C 86 26.856 26.856 29.528 -2.672 25852 1091 1 2 . 1 1 86 86 ARG H H 86 8.351 8.351 8.210 0.141 25852 1092 1 2 . 1 1 87 87 GLU N N 87 118.288 118.288 119.125 -0.837 25852 1093 1 2 . 1 1 87 87 GLU HA H 87 3.861 3.861 4.258 -0.397 25852 1094 1 2 . 1 1 87 87 GLU CA C 87 56.606 56.606 58.513 -1.907 25852 1095 1 2 . 1 1 87 87 GLU CB C 87 25.817 25.817 29.449 -3.632 25852 1096 1 2 . 1 1 87 87 GLU H H 87 8.238 8.238 7.881 0.357 25852 1097 1 2 . 1 1 88 88 ALA N N 88 120.408 120.408 122.296 -1.888 25852 1098 1 2 . 1 1 88 88 ALA HA H 88 4.013 4.013 4.214 -0.201 25852 1099 1 2 . 1 1 88 88 ALA CA C 88 52.263 52.263 54.906 -2.643 25852 1100 1 2 . 1 1 88 88 ALA CB C 88 15.080 15.080 18.201 -3.121 25852 1101 1 2 . 1 1 88 88 ALA H H 88 7.960 7.960 8.305 -0.345 25852 1102 1 2 . 1 1 89 89 PHE N N 89 118.123 118.123 116.829 1.294 25852 1103 1 2 . 1 1 89 89 PHE HA H 89 3.058 3.058 4.275 -1.217 25852 1104 1 2 . 1 1 89 89 PHE CA C 89 59.703 59.703 60.655 -0.952 25852 1105 1 2 . 1 1 89 89 PHE CB C 89 36.774 36.774 38.808 -2.034 25852 1106 1 2 . 1 1 89 89 PHE H H 89 8.498 8.498 7.402 1.096 25852 1107 1 2 . 1 1 90 90 ARG N N 90 116.002 116.002 119.040 -3.038 25852 1108 1 2 . 1 1 90 90 ARG HA H 90 3.892 3.892 4.183 -0.291 25852 1109 1 2 . 1 1 90 90 ARG CA C 90 56.168 56.168 57.758 -1.590 25852 1110 1 2 . 1 1 90 90 ARG CB C 90 27.654 27.654 29.864 -2.210 25852 1111 1 2 . 1 1 90 90 ARG H H 90 7.860 7.860 7.571 0.289 25852 1112 1 2 . 1 1 91 91 VAL N N 91 118.008 118.008 119.916 -1.908 25852 1113 1 2 . 1 1 91 91 VAL HA H 91 3.243 3.243 3.855 -0.612 25852 1114 1 2 . 1 1 91 91 VAL CA C 91 63.357 63.357 65.261 -1.905 25852 1115 1 2 . 1 1 91 91 VAL CB C 91 28.444 28.444 32.167 -3.723 25852 1116 1 2 . 1 1 91 91 VAL H H 91 7.300 7.300 7.795 -0.495 25852 1117 1 2 . 1 1 92 92 PHE N N 92 113.024 113.024 115.508 -2.484 25852 1118 1 2 . 1 1 92 92 PHE HA H 92 3.967 3.967 4.381 -0.414 25852 1119 1 2 . 1 1 92 92 PHE CA C 92 57.558 57.558 59.618 -2.060 25852 1120 1 2 . 1 1 92 92 PHE CB C 92 38.838 38.838 40.850 -2.012 25852 1121 1 2 . 1 1 92 92 PHE H H 92 6.805 6.805 8.038 -1.233 25852 1122 1 2 . 1 1 93 93 ASP N N 93 116.393 116.393 119.778 -3.385 25852 1123 1 2 . 1 1 93 93 ASP HA H 93 4.496 4.496 4.495 0.001 25852 1124 1 2 . 1 1 93 93 ASP CA C 93 49.525 49.525 55.367 -5.842 25852 1125 1 2 . 1 1 93 93 ASP CB C 93 35.788 35.788 40.411 -4.623 25852 1126 1 2 . 1 1 93 93 ASP H H 93 8.018 8.018 7.684 0.334 25852 1127 1 2 . 1 1 94 94 LYS N N 94 125.158 125.158 124.869 0.289 25852 1128 1 2 . 1 1 94 94 LYS HA H 94 3.892 3.892 4.264 -0.372 25852 1129 1 2 . 1 1 94 94 LYS CA C 94 56.183 56.183 57.700 -1.517 25852 1130 1 2 . 1 1 94 94 LYS CB C 94 29.945 29.945 32.857 -2.912 25852 1131 1 2 . 1 1 94 94 LYS H H 94 7.721 7.721 8.493 -0.772 25852 1132 1 2 . 1 1 95 95 ASP N N 95 113.893 113.893 118.032 -4.139 25852 1133 1 2 . 1 1 95 95 ASP HA H 95 4.415 4.415 4.498 -0.083 25852 1134 1 2 . 1 1 95 95 ASP CA C 95 50.683 50.683 54.746 -4.063 25852 1135 1 2 . 1 1 95 95 ASP CB C 95 36.774 36.774 41.112 -4.338 25852 1136 1 2 . 1 1 95 95 ASP H H 95 8.156 8.156 8.503 -0.347 25852 1137 1 2 . 1 1 96 96 GLY N N 96 108.799 108.799 106.817 1.982 25852 1138 1 2 . 1 1 96 96 GLY CA C 96 44.344 44.344 46.268 -1.924 25852 1139 1 2 . 1 1 96 96 GLY H H 96 7.717 7.717 8.450 -0.733 25852 1140 1 2 . 1 1 97 97 ASN N N 97 119.381 119.381 118.440 0.941 25852 1141 1 2 . 1 1 97 97 ASN HA H 97 4.500 4.500 4.755 -0.255 25852 1142 1 2 . 1 1 97 97 ASN CA C 97 49.916 49.916 53.069 -3.154 25852 1143 1 2 . 1 1 97 97 ASN CB C 97 35.183 35.183 39.309 -4.126 25852 1144 1 2 . 1 1 97 97 ASN H H 97 8.312 8.312 8.301 0.011 25852 1145 1 2 . 1 1 98 98 GLY N N 98 112.330 112.330 107.554 4.776 25852 1146 1 2 . 1 1 98 98 GLY CA C 98 42.434 42.434 45.343 -2.909 25852 1147 1 2 . 1 1 98 98 GLY H H 98 10.555 10.555 7.934 2.621 25852 1148 1 2 . 1 1 99 99 TYR N N 99 116.075 116.075 119.014 -2.939 25852 1149 1 2 . 1 1 99 99 TYR HA H 99 4.871 4.871 4.952 -0.081 25852 1150 1 2 . 1 1 99 99 TYR CA C 99 53.582 53.582 55.953 -2.371 25852 1151 1 2 . 1 1 99 99 TYR CB C 99 39.981 39.981 39.739 0.242 25852 1152 1 2 . 1 1 99 99 TYR H H 99 7.650 7.650 7.557 0.093 25852 1153 1 2 . 1 1 100 100 ILE N N 100 126.834 126.834 125.578 1.256 25852 1154 1 2 . 1 1 100 100 ILE HA H 100 4.493 4.493 4.243 0.250 25852 1155 1 2 . 1 1 100 100 ILE CA C 100 58.616 58.616 61.459 -2.843 25852 1156 1 2 . 1 1 100 100 ILE CB C 100 35.903 35.903 36.518 -0.615 25852 1157 1 2 . 1 1 100 100 ILE H H 100 10.037 10.037 8.073 1.964 25852 1158 1 2 . 1 1 101 101 SER N N 101 123.486 123.486 121.819 1.667 25852 1159 1 2 . 1 1 101 101 SER HA H 101 4.738 4.738 4.371 0.367 25852 1160 1 2 . 1 1 101 101 SER CA C 101 52.897 52.897 58.160 -5.263 25852 1161 1 2 . 1 1 101 101 SER CB C 101 64.134 64.134 65.038 -0.904 25852 1162 1 2 . 1 1 101 101 SER H H 101 8.904 8.904 8.823 0.081 25852 1163 1 2 . 1 1 102 102 ALA N N 102 122.796 122.796 124.966 -2.170 25852 1164 1 2 . 1 1 102 102 ALA HA H 102 3.747 3.747 4.096 -0.349 25852 1165 1 2 . 1 1 102 102 ALA CA C 102 53.093 53.093 54.836 -1.743 25852 1166 1 2 . 1 1 102 102 ALA CB C 102 15.114 15.114 18.529 -3.416 25852 1167 1 2 . 1 1 102 102 ALA H H 102 9.246 9.246 9.117 0.129 25852 1168 1 2 . 1 1 103 103 ALA N N 103 118.362 118.362 120.033 -1.671 25852 1169 1 2 . 1 1 103 103 ALA HA H 103 3.861 3.861 4.182 -0.321 25852 1170 1 2 . 1 1 103 103 ALA CA C 103 52.409 52.409 54.239 -1.829 25852 1171 1 2 . 1 1 103 103 ALA CB C 103 15.456 15.456 18.967 -3.511 25852 1172 1 2 . 1 1 103 103 ALA H H 103 8.214 8.214 8.468 -0.254 25852 1173 1 2 . 1 1 104 104 GLU N N 104 120.187 120.187 120.585 -0.398 25852 1174 1 2 . 1 1 104 104 GLU HA H 104 3.904 3.904 4.121 -0.217 25852 1175 1 2 . 1 1 104 104 GLU CA C 104 56.563 56.563 58.913 -2.350 25852 1176 1 2 . 1 1 104 104 GLU CB C 104 26.400 26.400 29.749 -3.349 25852 1177 1 2 . 1 1 104 104 GLU H H 104 7.864 7.864 7.776 0.088 25852 1178 1 2 . 1 1 105 105 LEU N N 105 121.050 121.050 120.042 1.008 25852 1179 1 2 . 1 1 105 105 LEU HA H 105 3.892 3.892 4.192 -0.300 25852 1180 1 2 . 1 1 105 105 LEU CA C 105 55.732 55.732 57.967 -2.235 25852 1181 1 2 . 1 1 105 105 LEU CB C 105 39.340 39.340 42.296 -2.956 25852 1182 1 2 . 1 1 105 105 LEU H H 105 8.341 8.341 8.826 -0.485 25852 1183 1 2 . 1 1 106 106 ARG N N 106 118.494 118.494 119.382 -0.888 25852 1184 1 2 . 1 1 106 106 ARG HA H 106 3.904 3.904 4.063 -0.159 25852 1185 1 2 . 1 1 106 106 ARG CA C 106 55.724 55.724 58.749 -3.025 25852 1186 1 2 . 1 1 106 106 ARG CB C 106 29.945 29.945 29.211 0.734 25852 1187 1 2 . 1 1 106 106 ARG H H 106 8.852 8.852 7.753 1.099 25852 1188 1 2 . 1 1 107 107 HIS N N 107 118.921 118.921 119.131 -0.210 25852 1189 1 2 . 1 1 107 107 HIS HA H 107 3.876 3.876 4.415 -0.539 25852 1190 1 2 . 1 1 107 107 HIS CA C 107 56.807 56.807 59.264 -2.457 25852 1191 1 2 . 1 1 107 107 HIS CB C 107 27.198 27.198 30.392 -3.194 25852 1192 1 2 . 1 1 107 107 HIS H H 107 8.045 8.045 8.494 -0.449 25852 1193 1 2 . 1 1 108 108 VAL N N 108 118.991 118.991 120.766 -1.775 25852 1194 1 2 . 1 1 108 108 VAL HA H 108 3.385 3.385 3.529 -0.144 25852 1195 1 2 . 1 1 108 108 VAL CA C 108 64.285 64.285 66.348 -2.063 25852 1196 1 2 . 1 1 108 108 VAL CB C 108 28.908 28.908 31.034 -2.126 25852 1197 1 2 . 1 1 108 108 VAL H H 108 7.766 7.766 8.605 -0.839 25852 1198 1 2 . 1 1 109 109 MET N N 109 115.789 115.789 118.596 -2.807 25852 1199 1 2 . 1 1 109 109 MET HA H 109 4.139 4.139 4.027 0.112 25852 1200 1 2 . 1 1 109 109 MET CA C 109 54.461 54.461 59.664 -5.203 25852 1201 1 2 . 1 1 109 109 MET CB C 109 29.706 29.706 32.421 -2.715 25852 1202 1 2 . 1 1 109 109 MET H H 109 8.333 8.333 8.713 -0.380 25852 1203 1 2 . 1 1 110 110 THR N N 110 116.700 116.700 113.061 3.639 25852 1204 1 2 . 1 1 110 110 THR HA H 110 3.935 3.935 4.012 -0.077 25852 1205 1 2 . 1 1 110 110 THR CA C 110 63.845 63.845 65.693 -1.848 25852 1206 1 2 . 1 1 110 110 THR CB C 110 66.072 66.072 67.813 -1.741 25852 1207 1 2 . 1 1 110 110 THR H H 110 8.603 8.603 8.231 0.372 25852 1208 1 2 . 1 1 111 111 ASN N N 111 123.354 123.354 118.753 4.601 25852 1209 1 2 . 1 1 111 111 ASN HA H 111 4.242 4.242 4.514 -0.272 25852 1210 1 2 . 1 1 111 111 ASN CA C 111 53.093 53.093 55.440 -2.347 25852 1211 1 2 . 1 1 111 111 ASN CB C 111 35.292 35.292 39.036 -3.744 25852 1212 1 2 . 1 1 111 111 ASN H H 111 7.991 7.991 7.627 0.364 25852 1213 1 2 . 1 1 112 112 LEU N N 112 118.291 118.291 115.984 2.307 25852 1214 1 2 . 1 1 112 112 LEU HA H 112 4.182 4.182 4.254 -0.072 25852 1215 1 2 . 1 1 112 112 LEU CA C 112 52.653 52.653 55.971 -3.317 25852 1216 1 2 . 1 1 112 112 LEU CB C 112 39.738 39.738 42.779 -3.041 25852 1217 1 2 . 1 1 112 112 LEU H H 112 7.754 7.754 7.866 -0.112 25852 1218 1 2 . 1 1 113 113 GLY N N 113 106.894 106.894 105.076 1.818 25852 1219 1 2 . 1 1 113 113 GLY CA C 113 42.536 42.536 45.105 -2.568 25852 1220 1 2 . 1 1 113 113 GLY H H 113 7.778 7.778 7.960 -0.182 25852 1221 1 2 . 1 1 114 114 GLU N N 114 119.776 119.776 118.397 1.379 25852 1222 1 2 . 1 1 114 114 GLU HA H 114 4.267 4.267 4.343 -0.076 25852 1223 1 2 . 1 1 114 114 GLU CA C 114 52.067 52.067 55.971 -3.904 25852 1224 1 2 . 1 1 114 114 GLU CB C 114 26.616 26.616 30.320 -3.704 25852 1225 1 2 . 1 1 114 114 GLU H H 114 7.957 7.957 8.558 -0.601 25852 1226 1 2 . 1 1 115 115 LYS N N 115 124.429 124.429 119.184 5.245 25852 1227 1 2 . 1 1 115 115 LYS HA H 115 4.255 4.255 3.876 0.379 25852 1228 1 2 . 1 1 115 115 LYS CA C 115 52.848 52.848 57.324 -4.476 25852 1229 1 2 . 1 1 115 115 LYS CB C 115 30.518 30.518 31.787 -1.269 25852 1230 1 2 . 1 1 115 115 LYS H H 115 8.591 8.591 7.507 1.084 25852 1231 1 2 . 1 1 116 116 LEU N N 116 124.724 124.724 124.686 0.038 25852 1232 1 2 . 1 1 116 116 LEU HA H 116 4.690 4.690 4.770 -0.080 25852 1233 1 2 . 1 1 116 116 LEU CA C 116 51.089 51.089 54.362 -3.273 25852 1234 1 2 . 1 1 116 116 LEU CB C 116 42.588 42.588 45.330 -2.741 25852 1235 1 2 . 1 1 116 116 LEU H H 116 8.066 8.066 8.564 -0.498 25852 1236 1 2 . 1 1 117 117 THR N N 117 113.912 113.912 116.987 -3.075 25852 1237 1 2 . 1 1 117 117 THR HA H 117 4.302 4.302 4.266 0.036 25852 1238 1 2 . 1 1 117 117 THR CA C 117 57.834 57.834 62.819 -4.985 25852 1239 1 2 . 1 1 117 117 THR CB C 117 68.580 68.580 70.651 -2.071 25852 1240 1 2 . 1 1 117 117 THR H H 117 9.165 9.165 8.012 1.153 25852 1241 1 2 . 1 1 118 118 ASP N N 118 120.787 120.787 120.083 0.704 25852 1242 1 2 . 1 1 118 118 ASP HA H 118 4.061 4.061 4.402 -0.341 25852 1243 1 2 . 1 1 118 118 ASP CA C 118 55.243 55.243 57.756 -2.513 25852 1244 1 2 . 1 1 118 118 ASP CB C 118 37.002 37.002 41.007 -4.005 25852 1245 1 2 . 1 1 118 118 ASP H H 118 8.860 8.860 8.772 0.088 25852 1246 1 2 . 1 1 119 119 GLU N N 119 119.091 119.091 117.157 1.934 25852 1247 1 2 . 1 1 119 119 GLU HA H 119 3.892 3.892 4.428 -0.536 25852 1248 1 2 . 1 1 119 119 GLU CA C 119 57.149 57.149 57.386 -0.237 25852 1249 1 2 . 1 1 119 119 GLU CB C 119 25.931 25.931 29.339 -3.408 25852 1250 1 2 . 1 1 119 119 GLU H H 119 8.618 8.618 8.672 -0.054 25852 1251 1 2 . 1 1 120 120 GLU N N 120 120.037 120.037 117.693 2.344 25852 1252 1 2 . 1 1 120 120 GLU HA H 120 3.880 3.880 4.244 -0.364 25852 1253 1 2 . 1 1 120 120 GLU CA C 120 56.319 56.319 58.051 -1.732 25852 1254 1 2 . 1 1 120 120 GLU CB C 120 25.830 25.830 29.928 -4.098 25852 1255 1 2 . 1 1 120 120 GLU H H 120 7.659 7.659 8.381 -0.722 25852 1256 1 2 . 1 1 121 121 VAL N N 121 122.512 122.512 115.564 6.948 25852 1257 1 2 . 1 1 121 121 VAL HA H 121 3.385 3.385 3.982 -0.597 25852 1258 1 2 . 1 1 121 121 VAL CA C 121 64.090 64.090 63.789 0.301 25852 1259 1 2 . 1 1 121 121 VAL CB C 121 28.680 28.680 31.473 -2.793 25852 1260 1 2 . 1 1 121 121 VAL H H 121 7.887 7.887 7.292 0.595 25852 1261 1 2 . 1 1 122 122 ASP N N 122 119.993 119.993 120.880 -0.887 25852 1262 1 2 . 1 1 122 122 ASP HA H 122 4.157 4.157 4.521 -0.364 25852 1263 1 2 . 1 1 122 122 ASP CA C 122 54.901 54.901 55.968 -1.067 25852 1264 1 2 . 1 1 122 122 ASP CB C 122 37.572 37.572 39.580 -2.008 25852 1265 1 2 . 1 1 122 122 ASP H H 122 7.973 7.973 8.495 -0.522 25852 1266 1 2 . 1 1 123 123 GLU N N 123 119.521 119.521 116.080 3.441 25852 1267 1 2 . 1 1 123 123 GLU HA H 123 3.880 3.880 4.363 -0.483 25852 1268 1 2 . 1 1 123 123 GLU CA C 123 56.612 56.612 57.246 -0.634 25852 1269 1 2 . 1 1 123 123 GLU CB C 123 26.172 26.172 30.294 -4.122 25852 1270 1 2 . 1 1 123 123 GLU H H 123 7.903 7.903 8.123 -0.221 25852 1271 1 2 . 1 1 124 124 MET N N 124 118.961 118.961 121.242 -2.281 25852 1272 1 2 . 1 1 124 124 MET HA H 124 3.892 3.892 4.248 -0.356 25852 1273 1 2 . 1 1 124 124 MET CA C 124 56.905 56.905 57.934 -1.029 25852 1274 1 2 . 1 1 124 124 MET CB C 124 29.250 29.250 32.112 -2.862 25852 1275 1 2 . 1 1 124 124 MET H H 124 7.496 7.496 7.785 -0.289 25852 1276 1 2 . 1 1 125 125 ILE N N 125 117.801 117.801 117.611 0.190 25852 1277 1 2 . 1 1 125 125 ILE HA H 125 3.409 3.409 3.876 -0.467 25852 1278 1 2 . 1 1 125 125 ILE CA C 125 60.131 60.131 64.284 -4.153 25852 1279 1 2 . 1 1 125 125 ILE CB C 125 33.240 33.240 37.953 -4.713 25852 1280 1 2 . 1 1 125 125 ILE H H 125 7.762 7.762 7.541 0.221 25852 1281 1 2 . 1 1 126 126 ARG N N 126 117.729 117.729 120.075 -2.346 25852 1282 1 2 . 1 1 126 126 ARG HA H 126 3.883 3.883 4.082 -0.199 25852 1283 1 2 . 1 1 126 126 ARG CA C 126 56.673 56.673 59.041 -2.368 25852 1284 1 2 . 1 1 126 126 ARG CB C 126 29.478 29.478 29.934 -0.456 25852 1285 1 2 . 1 1 126 126 ARG H H 126 8.055 8.055 7.410 0.645 25852 1286 1 2 . 1 1 127 127 GLU N N 127 117.539 117.539 116.972 0.567 25852 1287 1 2 . 1 1 127 127 GLU HA H 127 3.861 3.861 4.192 -0.331 25852 1288 1 2 . 1 1 127 127 GLU CA C 127 56.319 56.319 57.918 -1.599 25852 1289 1 2 . 1 1 127 127 GLU CB C 127 26.286 26.286 29.628 -3.342 25852 1290 1 2 . 1 1 127 127 GLU H H 127 7.700 7.700 7.936 -0.236 25852 1291 1 2 . 1 1 128 128 ALA N N 128 116.677 116.677 120.668 -3.991 25852 1292 1 2 . 1 1 128 128 ALA HA H 128 4.500 4.500 4.363 0.137 25852 1293 1 2 . 1 1 128 128 ALA CA C 128 48.205 48.205 52.173 -3.968 25852 1294 1 2 . 1 1 128 128 ALA CB C 128 19.633 19.633 20.547 -0.914 25852 1295 1 2 . 1 1 128 128 ALA H H 128 7.223 7.223 7.299 -0.076 25852 1296 1 2 . 1 1 129 129 ASP N N 129 118.030 118.030 119.248 -1.218 25852 1297 1 2 . 1 1 129 129 ASP HA H 129 4.460 4.460 4.743 -0.283 25852 1298 1 2 . 1 1 129 129 ASP CA C 129 51.485 51.485 56.056 -4.571 25852 1299 1 2 . 1 1 129 129 ASP CB C 129 38.195 38.195 40.819 -2.624 25852 1300 1 2 . 1 1 129 129 ASP H H 129 7.895 7.895 8.182 -0.287 25852 1301 1 2 . 1 1 130 130 ILE N N 130 127.693 127.693 126.417 1.276 25852 1302 1 2 . 1 1 130 130 ILE HA H 130 3.797 3.797 3.991 -0.194 25852 1303 1 2 . 1 1 130 130 ILE CA C 130 60.522 60.522 63.496 -2.974 25852 1304 1 2 . 1 1 130 130 ILE CB C 130 36.090 36.090 38.681 -2.591 25852 1305 1 2 . 1 1 130 130 ILE H H 130 8.148 8.148 9.102 -0.954 25852 1306 1 2 . 1 1 131 131 ASP N N 131 116.409 116.409 119.756 -3.347 25852 1307 1 2 . 1 1 131 131 ASP HA H 131 4.376 4.376 4.667 -0.291 25852 1308 1 2 . 1 1 131 131 ASP CA C 131 51.187 51.187 54.416 -3.229 25852 1309 1 2 . 1 1 131 131 ASP CB C 131 37.468 37.468 41.972 -4.504 25852 1310 1 2 . 1 1 131 131 ASP H H 131 8.288 8.288 8.036 0.252 25852 1311 1 2 . 1 1 132 132 GLY N N 132 108.363 108.363 107.821 0.542 25852 1312 1 2 . 1 1 132 132 GLY CA C 132 44.638 44.638 45.289 -0.651 25852 1313 1 2 . 1 1 132 132 GLY H H 132 7.630 7.630 8.107 -0.477 25852 1314 1 2 . 1 1 133 133 ASP N N 133 120.183 120.183 120.995 -0.812 25852 1315 1 2 . 1 1 133 133 ASP HA H 133 4.329 4.329 4.499 -0.170 25852 1316 1 2 . 1 1 133 133 ASP CA C 133 50.942 50.942 54.997 -4.055 25852 1317 1 2 . 1 1 133 133 ASP CB C 133 37.458 37.458 41.409 -3.951 25852 1318 1 2 . 1 1 133 133 ASP H H 133 8.298 8.298 8.451 -0.153 25852 1319 1 2 . 1 1 134 134 GLY N N 134 112.149 112.149 108.270 3.879 25852 1320 1 2 . 1 1 134 134 GLY CA C 134 43.122 43.122 45.503 -2.381 25852 1321 1 2 . 1 1 134 134 GLY H H 134 10.079 10.079 8.814 1.265 25852 1322 1 2 . 1 1 135 135 GLN N N 135 115.069 115.069 118.428 -3.359 25852 1323 1 2 . 1 1 135 135 GLN HA H 135 4.844 4.844 4.519 0.325 25852 1324 1 2 . 1 1 135 135 GLN CA C 135 50.454 50.454 55.854 -5.400 25852 1325 1 2 . 1 1 135 135 GLN CB C 135 30.614 30.614 31.817 -1.203 25852 1326 1 2 . 1 1 135 135 GLN H H 135 7.922 7.922 7.736 0.186 25852 1327 1 2 . 1 1 136 136 VAL N N 136 125.107 125.107 117.157 7.950 25852 1328 1 2 . 1 1 136 136 VAL HA H 136 5.096 5.096 4.330 0.765 25852 1329 1 2 . 1 1 136 136 VAL CA C 136 58.713 58.713 62.389 -3.676 25852 1330 1 2 . 1 1 136 136 VAL CB C 136 31.416 31.416 31.653 -0.237 25852 1331 1 2 . 1 1 136 136 VAL H H 136 9.046 9.046 8.110 0.936 25852 1332 1 2 . 1 1 137 137 ASN N N 137 128.858 128.858 123.837 5.021 25852 1333 1 2 . 1 1 137 137 ASN HA H 137 5.226 5.226 5.193 0.033 25852 1334 1 2 . 1 1 137 137 ASN CA C 137 48.352 48.352 51.989 -3.638 25852 1335 1 2 . 1 1 137 137 ASN CB C 137 35.640 35.640 40.224 -4.584 25852 1336 1 2 . 1 1 137 137 ASN H H 137 9.458 9.458 8.980 0.478 25852 1337 1 2 . 1 1 138 138 TYR N N 138 118.481 118.481 121.229 -2.748 25852 1338 1 2 . 1 1 138 138 TYR HA H 138 3.603 3.603 4.519 -0.916 25852 1339 1 2 . 1 1 138 138 TYR CA C 138 59.669 59.669 63.483 -3.814 25852 1340 1 2 . 1 1 138 138 TYR CB C 138 37.572 37.572 38.230 -0.658 25852 1341 1 2 . 1 1 138 138 TYR H H 138 8.235 8.235 9.075 -0.840 25852 1342 1 2 . 1 1 139 139 GLU N N 139 118.474 118.474 118.683 -0.209 25852 1343 1 2 . 1 1 139 139 GLU HA H 139 3.868 3.868 4.162 -0.294 25852 1344 1 2 . 1 1 139 139 GLU CA C 139 57.540 57.540 59.531 -1.991 25852 1345 1 2 . 1 1 139 139 GLU CB C 139 26.274 26.274 28.943 -2.669 25852 1346 1 2 . 1 1 139 139 GLU H H 139 8.067 8.067 9.112 -1.045 25852 1347 1 2 . 1 1 140 140 GLU N N 140 119.279 119.279 119.217 0.062 25852 1348 1 2 . 1 1 140 140 GLU HA H 140 3.880 3.880 4.565 -0.685 25852 1349 1 2 . 1 1 140 140 GLU CA C 140 56.025 56.025 58.145 -2.120 25852 1350 1 2 . 1 1 140 140 GLU CB C 140 26.274 26.274 29.815 -3.541 25852 1351 1 2 . 1 1 140 140 GLU H H 140 8.742 8.742 8.549 0.193 25852 1352 1 2 . 1 1 141 141 PHE N N 141 124.141 124.141 119.619 4.522 25852 1353 1 2 . 1 1 141 141 PHE HA H 141 3.602 3.602 4.164 -0.562 25852 1354 1 2 . 1 1 141 141 PHE CA C 141 59.447 59.447 60.529 -1.081 25852 1355 1 2 . 1 1 141 141 PHE CB C 141 37.686 37.686 39.327 -1.641 25852 1356 1 2 . 1 1 141 141 PHE H H 141 8.593 8.593 8.068 0.525 25852 1357 1 2 . 1 1 142 142 VAL N N 142 118.383 118.383 117.228 1.155 25852 1358 1 2 . 1 1 142 142 VAL HA H 142 2.986 2.986 3.855 -0.869 25852 1359 1 2 . 1 1 142 142 VAL CA C 142 64.432 64.432 65.589 -1.157 25852 1360 1 2 . 1 1 142 142 VAL CB C 142 28.908 28.908 32.369 -3.461 25852 1361 1 2 . 1 1 142 142 VAL H H 142 8.776 8.776 8.203 0.573 25852 1362 1 2 . 1 1 143 143 GLN N N 143 119.891 119.891 120.031 -0.140 25852 1363 1 2 . 1 1 143 143 GLN HA H 143 3.671 3.671 4.018 -0.347 25852 1364 1 2 . 1 1 143 143 GLN CA C 143 56.514 56.514 58.507 -1.993 25852 1365 1 2 . 1 1 143 143 GLN CB C 143 25.246 25.246 28.171 -2.925 25852 1366 1 2 . 1 1 143 143 GLN H H 143 7.787 7.787 7.964 -0.177 25852 1367 1 2 . 1 1 144 144 MET N N 144 118.429 118.429 116.787 1.642 25852 1368 1 2 . 1 1 144 144 MET HA H 144 3.892 3.892 4.234 -0.342 25852 1369 1 2 . 1 1 144 144 MET CA C 144 55.683 55.683 57.580 -1.897 25852 1370 1 2 . 1 1 144 144 MET CB C 144 28.110 28.110 31.690 -3.580 25852 1371 1 2 . 1 1 144 144 MET H H 144 7.450 7.450 7.711 -0.261 25852 1372 1 2 . 1 1 145 145 MET N N 145 114.145 114.145 117.519 -3.374 25852 1373 1 2 . 1 1 145 145 MET HA H 145 3.905 3.905 4.575 -0.670 25852 1374 1 2 . 1 1 145 145 MET CA C 145 53.630 53.630 57.826 -4.196 25852 1375 1 2 . 1 1 145 145 MET CB C 145 29.592 29.592 32.961 -3.369 25852 1376 1 2 . 1 1 145 145 MET H H 145 7.724 7.724 8.466 -0.742 25852 1377 1 2 . 1 1 146 146 THR N N 146 108.482 108.482 112.919 -4.437 25852 1378 1 2 . 1 1 146 146 THR HA H 146 4.170 4.170 4.415 -0.245 25852 1379 1 2 . 1 1 146 146 THR CA C 146 59.251 59.251 62.608 -3.357 25852 1380 1 2 . 1 1 146 146 THR CB C 146 67.896 67.896 70.216 -2.321 25852 1381 1 2 . 1 1 146 146 THR H H 146 7.700 7.700 7.526 0.174 25852 1382 1 2 . 1 1 147 147 ALA N N 147 126.469 126.469 123.828 2.641 25852 1383 1 2 . 1 1 147 147 ALA HA H 147 4.095 4.095 4.083 0.012 25852 1384 1 2 . 1 1 147 147 ALA CA C 147 50.307 50.307 53.346 -3.039 25852 1385 1 2 . 1 1 147 147 ALA CB C 147 16.336 16.336 19.202 -2.866 25852 1386 1 2 . 1 1 147 147 ALA H H 147 7.291 7.291 8.531 -1.240 25852 1387 1 3 . 1 1 3 3 GLN N N 3 118.120 118.120 120.064 -1.944 25852 1388 1 3 . 1 1 3 3 GLN HA H 3 4.688 4.688 4.230 0.458 25852 1389 1 3 . 1 1 3 3 GLN CA C 3 53.500 53.500 56.368 -2.868 25852 1390 1 3 . 1 1 3 3 GLN CB C 3 29.475 29.475 29.355 0.120 25852 1391 1 3 . 1 1 3 3 GLN H H 3 8.134 8.134 8.423 -0.289 25852 1392 1 3 . 1 1 4 4 LEU N N 4 121.407 121.407 119.919 1.488 25852 1393 1 3 . 1 1 4 4 LEU HA H 4 4.460 4.460 4.615 -0.155 25852 1394 1 3 . 1 1 4 4 LEU CA C 4 51.650 51.650 54.456 -2.806 25852 1395 1 3 . 1 1 4 4 LEU CB C 4 40.715 40.715 41.779 -1.064 25852 1396 1 3 . 1 1 4 4 LEU H H 4 8.202 8.202 8.225 -0.023 25852 1397 1 3 . 1 1 5 5 THR N N 5 112.733 112.733 109.412 3.321 25852 1398 1 3 . 1 1 5 5 THR HA H 5 4.265 4.265 4.504 -0.239 25852 1399 1 3 . 1 1 5 5 THR CA C 5 59.433 59.433 60.576 -1.143 25852 1400 1 3 . 1 1 5 5 THR CB C 5 67.475 67.475 70.181 -2.706 25852 1401 1 3 . 1 1 5 5 THR H H 5 8.691 8.691 7.741 0.950 25852 1402 1 3 . 1 1 6 6 GLU N N 6 119.971 119.971 119.868 0.103 25852 1403 1 3 . 1 1 6 6 GLU HA H 6 3.854 3.854 3.963 -0.109 25852 1404 1 3 . 1 1 6 6 GLU CA C 6 56.756 56.756 59.400 -2.644 25852 1405 1 3 . 1 1 6 6 GLU CB C 6 26.508 26.508 29.346 -2.838 25852 1406 1 3 . 1 1 6 6 GLU H H 6 8.953 8.953 8.836 0.117 25852 1407 1 3 . 1 1 7 7 GLU N N 7 119.133 119.133 118.284 0.849 25852 1408 1 3 . 1 1 7 7 GLU HA H 7 3.898 3.898 3.947 -0.049 25852 1409 1 3 . 1 1 7 7 GLU CA C 7 56.756 56.756 58.943 -2.187 25852 1410 1 3 . 1 1 7 7 GLU CB C 7 26.279 26.279 28.677 -2.398 25852 1411 1 3 . 1 1 7 7 GLU H H 7 8.653 8.653 8.401 0.252 25852 1412 1 3 . 1 1 8 8 GLN N N 8 120.207 120.207 119.726 0.481 25852 1413 1 3 . 1 1 8 8 GLN HA H 8 3.957 3.957 4.113 -0.156 25852 1414 1 3 . 1 1 8 8 GLN CA C 8 57.099 57.099 58.188 -1.089 25852 1415 1 3 . 1 1 8 8 GLN CB C 8 26.737 26.737 28.406 -1.669 25852 1416 1 3 . 1 1 8 8 GLN H H 8 7.645 7.645 7.670 -0.025 25852 1417 1 3 . 1 1 9 9 ILE N N 9 118.171 118.171 119.788 -1.617 25852 1418 1 3 . 1 1 9 9 ILE HA H 9 3.354 3.354 3.740 -0.386 25852 1419 1 3 . 1 1 9 9 ILE CA C 9 62.714 62.714 64.399 -1.685 25852 1420 1 3 . 1 1 9 9 ILE CB C 9 35.216 35.216 37.658 -2.442 25852 1421 1 3 . 1 1 9 9 ILE H H 9 8.153 8.153 7.290 0.863 25852 1422 1 3 . 1 1 10 10 ALA N N 10 120.124 120.124 120.444 -0.320 25852 1423 1 3 . 1 1 10 10 ALA HA H 10 3.966 3.966 4.050 -0.084 25852 1424 1 3 . 1 1 10 10 ALA CA C 10 52.746 52.746 55.061 -2.315 25852 1425 1 3 . 1 1 10 10 ALA CB C 10 15.165 15.165 19.036 -3.871 25852 1426 1 3 . 1 1 10 10 ALA H H 10 7.835 7.835 8.260 -0.425 25852 1427 1 3 . 1 1 11 11 GLU N N 11 119.983 119.983 113.737 6.246 25852 1428 1 3 . 1 1 11 11 GLU HA H 11 3.904 3.904 4.873 -0.969 25852 1429 1 3 . 1 1 11 11 GLU CA C 11 56.560 56.560 56.596 -0.036 25852 1430 1 3 . 1 1 11 11 GLU CB C 11 27.425 27.425 31.395 -3.970 25852 1431 1 3 . 1 1 11 11 GLU H H 11 7.706 7.706 7.718 -0.012 25852 1432 1 3 . 1 1 12 12 PHE N N 12 119.907 119.907 120.563 -0.656 25852 1433 1 3 . 1 1 12 12 PHE HA H 12 4.726 4.726 4.227 0.499 25852 1434 1 3 . 1 1 12 12 PHE CA C 12 55.839 55.839 61.683 -5.844 25852 1435 1 3 . 1 1 12 12 PHE CB C 12 33.955 33.955 38.618 -4.663 25852 1436 1 3 . 1 1 12 12 PHE H H 12 8.728 8.728 7.964 0.764 25852 1437 1 3 . 1 1 13 13 LYS N N 13 121.208 121.208 119.130 2.078 25852 1438 1 3 . 1 1 13 13 LYS HA H 13 3.904 3.904 4.135 -0.231 25852 1439 1 3 . 1 1 13 13 LYS CA C 13 57.290 57.290 59.233 -1.943 25852 1440 1 3 . 1 1 13 13 LYS CB C 13 30.174 30.174 32.255 -2.081 25852 1441 1 3 . 1 1 13 13 LYS H H 13 9.161 9.161 7.959 1.202 25852 1442 1 3 . 1 1 14 14 GLU N N 14 120.226 120.226 120.785 -0.559 25852 1443 1 3 . 1 1 14 14 GLU HA H 14 3.953 3.953 4.219 -0.266 25852 1444 1 3 . 1 1 14 14 GLU CA C 14 56.460 56.460 58.806 -2.346 25852 1445 1 3 . 1 1 14 14 GLU CB C 14 26.623 26.623 29.501 -2.878 25852 1446 1 3 . 1 1 14 14 GLU H H 14 7.980 7.980 8.059 -0.079 25852 1447 1 3 . 1 1 15 15 ALA N N 15 120.572 120.572 121.684 -1.112 25852 1448 1 3 . 1 1 15 15 ALA HA H 15 4.170 4.170 4.125 0.045 25852 1449 1 3 . 1 1 15 15 ALA CA C 15 52.750 52.750 54.790 -2.040 25852 1450 1 3 . 1 1 15 15 ALA CB C 15 16.425 16.425 18.383 -1.958 25852 1451 1 3 . 1 1 15 15 ALA H H 15 7.563 7.563 8.510 -0.947 25852 1452 1 3 . 1 1 16 16 PHE N N 16 117.784 117.784 116.300 1.484 25852 1453 1 3 . 1 1 16 16 PHE HA H 16 3.904 3.904 4.445 -0.541 25852 1454 1 3 . 1 1 16 16 PHE CA C 16 59.540 59.540 60.585 -1.045 25852 1455 1 3 . 1 1 16 16 PHE CB C 16 36.820 36.820 40.369 -3.549 25852 1456 1 3 . 1 1 16 16 PHE H H 16 8.453 8.453 7.554 0.899 25852 1457 1 3 . 1 1 17 17 SER N N 17 110.774 110.774 114.256 -3.482 25852 1458 1 3 . 1 1 17 17 SER HA H 17 4.086 4.086 4.378 -0.292 25852 1459 1 3 . 1 1 17 17 SER CA C 17 58.560 58.560 59.126 -0.566 25852 1460 1 3 . 1 1 17 17 SER CB C 17 60.651 60.651 63.218 -2.567 25852 1461 1 3 . 1 1 17 17 SER H H 17 8.351 8.351 8.216 0.135 25852 1462 1 3 . 1 1 18 18 LEU N N 18 120.947 120.947 120.539 0.408 25852 1463 1 3 . 1 1 18 18 LEU HA H 18 3.614 3.614 4.085 -0.471 25852 1464 1 3 . 1 1 18 18 LEU CA C 18 55.839 55.839 57.968 -2.130 25852 1465 1 3 . 1 1 18 18 LEU CB C 18 39.111 39.111 42.597 -3.486 25852 1466 1 3 . 1 1 18 18 LEU H H 18 7.278 7.278 8.354 -1.076 25852 1467 1 3 . 1 1 19 19 PHE N N 19 114.458 114.458 113.161 1.297 25852 1468 1 3 . 1 1 19 19 PHE HA H 19 3.904 3.904 4.558 -0.654 25852 1469 1 3 . 1 1 19 19 PHE CA C 19 56.870 56.870 57.707 -0.837 25852 1470 1 3 . 1 1 19 19 PHE CB C 19 33.841 33.841 41.581 -7.740 25852 1471 1 3 . 1 1 19 19 PHE H H 19 7.304 7.304 7.655 -0.351 25852 1472 1 3 . 1 1 20 20 ASP N N 20 122.233 122.233 121.701 0.532 25852 1473 1 3 . 1 1 20 20 ASP HA H 20 4.874 4.874 4.565 0.309 25852 1474 1 3 . 1 1 20 20 ASP CA C 20 50.454 50.454 53.507 -3.053 25852 1475 1 3 . 1 1 20 20 ASP CB C 20 37.622 37.622 38.857 -1.235 25852 1476 1 3 . 1 1 20 20 ASP H H 20 7.233 7.233 8.045 -0.812 25852 1477 1 3 . 1 1 21 21 LYS N N 21 123.433 123.433 120.068 3.365 25852 1478 1 3 . 1 1 21 21 LYS HA H 21 3.771 3.771 4.261 -0.490 25852 1479 1 3 . 1 1 21 21 LYS CA C 21 56.025 56.025 57.416 -1.391 25852 1480 1 3 . 1 1 21 21 LYS CB C 21 29.601 29.601 32.405 -2.804 25852 1481 1 3 . 1 1 21 21 LYS H H 21 8.007 8.007 7.969 0.038 25852 1482 1 3 . 1 1 22 22 ASP N N 22 116.890 116.890 119.980 -3.090 25852 1483 1 3 . 1 1 22 22 ASP HA H 22 4.400 4.400 4.532 -0.132 25852 1484 1 3 . 1 1 22 22 ASP CA C 22 50.683 50.683 54.967 -4.284 25852 1485 1 3 . 1 1 22 22 ASP CB C 22 37.049 37.049 41.184 -4.135 25852 1486 1 3 . 1 1 22 22 ASP H H 22 8.641 8.641 8.307 0.334 25852 1487 1 3 . 1 1 23 23 GLY N N 23 110.068 110.068 106.504 3.564 25852 1488 1 3 . 1 1 23 23 GLY CA C 23 43.745 43.745 45.372 -1.627 25852 1489 1 3 . 1 1 23 23 GLY H H 23 7.938 7.938 8.306 -0.368 25852 1490 1 3 . 1 1 24 24 ASP N N 24 120.219 120.219 120.413 -0.194 25852 1491 1 3 . 1 1 24 24 ASP HA H 24 4.367 4.367 4.727 -0.360 25852 1492 1 3 . 1 1 24 24 ASP CA C 24 51.040 51.040 53.586 -2.546 25852 1493 1 3 . 1 1 24 24 ASP CB C 24 37.438 37.438 41.366 -3.928 25852 1494 1 3 . 1 1 24 24 ASP H H 24 8.723 8.723 8.101 0.622 25852 1495 1 3 . 1 1 25 25 GLY N N 25 111.889 111.889 109.015 2.874 25852 1496 1 3 . 1 1 25 25 GLY CA C 25 42.680 42.680 45.561 -2.881 25852 1497 1 3 . 1 1 25 25 GLY H H 25 10.132 10.132 8.226 1.906 25852 1498 1 3 . 1 1 26 26 THR N N 26 109.844 109.844 117.428 -7.584 25852 1499 1 3 . 1 1 26 26 THR HA H 26 5.386 5.386 4.184 1.202 25852 1500 1 3 . 1 1 26 26 THR CA C 26 56.950 56.950 59.882 -2.932 25852 1501 1 3 . 1 1 26 26 THR CB C 26 70.234 70.234 71.537 -1.303 25852 1502 1 3 . 1 1 26 26 THR H H 26 7.507 7.507 7.662 -0.155 25852 1503 1 3 . 1 1 27 27 ILE N N 27 110.289 110.289 117.195 -6.906 25852 1504 1 3 . 1 1 27 27 ILE HA H 27 3.891 3.891 4.241 -0.350 25852 1505 1 3 . 1 1 27 27 ILE CA C 27 58.360 58.360 60.489 -2.129 25852 1506 1 3 . 1 1 27 27 ILE CB C 27 35.559 35.559 38.192 -2.633 25852 1507 1 3 . 1 1 27 27 ILE H H 27 8.191 8.191 8.314 -0.123 25852 1508 1 3 . 1 1 28 28 THR N N 28 110.507 110.507 114.847 -4.340 25852 1509 1 3 . 1 1 28 28 THR HA H 28 4.895 4.895 4.130 0.765 25852 1510 1 3 . 1 1 28 28 THR CA C 28 57.787 57.787 62.991 -5.204 25852 1511 1 3 . 1 1 28 28 THR CB C 28 68.099 68.099 69.497 -1.398 25852 1512 1 3 . 1 1 28 28 THR H H 28 8.265 8.265 8.591 -0.326 25852 1513 1 3 . 1 1 29 29 THR N N 29 112.331 112.331 115.041 -2.710 25852 1514 1 3 . 1 1 29 29 THR HA H 29 3.941 3.941 4.187 -0.246 25852 1515 1 3 . 1 1 29 29 THR CA C 29 63.840 63.840 64.930 -1.090 25852 1516 1 3 . 1 1 29 29 THR CB C 29 65.807 65.807 68.663 -2.856 25852 1517 1 3 . 1 1 29 29 THR H H 29 8.225 8.225 8.599 -0.374 25852 1518 1 3 . 1 1 30 30 LYS N N 30 118.985 118.985 121.043 -2.058 25852 1519 1 3 . 1 1 30 30 LYS HA H 30 3.965 3.965 4.010 -0.045 25852 1520 1 3 . 1 1 30 30 LYS CA C 30 55.839 55.839 58.812 -2.973 25852 1521 1 3 . 1 1 30 30 LYS CB C 30 29.372 29.372 32.032 -2.660 25852 1522 1 3 . 1 1 30 30 LYS H H 30 7.559 7.559 8.453 -0.894 25852 1523 1 3 . 1 1 31 31 GLU N N 31 117.233 117.233 114.367 2.866 25852 1524 1 3 . 1 1 31 31 GLU HA H 31 3.965 3.965 4.122 -0.157 25852 1525 1 3 . 1 1 31 31 GLU CA C 31 57.140 57.140 56.185 0.955 25852 1526 1 3 . 1 1 31 31 GLU CB C 31 26.393 26.393 29.572 -3.179 25852 1527 1 3 . 1 1 31 31 GLU H H 31 7.431 7.431 7.860 -0.429 25852 1528 1 3 . 1 1 32 32 LEU N N 32 120.701 120.701 122.636 -1.935 25852 1529 1 3 . 1 1 32 32 LEU HA H 32 3.880 3.880 3.843 0.037 25852 1530 1 3 . 1 1 32 32 LEU CA C 32 55.520 55.520 58.335 -2.815 25852 1531 1 3 . 1 1 32 32 LEU CB C 32 39.226 39.226 41.776 -2.550 25852 1532 1 3 . 1 1 32 32 LEU H H 32 7.270 7.270 7.658 -0.388 25852 1533 1 3 . 1 1 33 33 GLY N N 33 105.217 105.217 104.290 0.927 25852 1534 1 3 . 1 1 33 33 GLY CA C 33 45.642 45.642 47.582 -1.940 25852 1535 1 3 . 1 1 33 33 GLY H H 33 8.737 8.737 8.526 0.211 25852 1536 1 3 . 1 1 34 34 THR N N 34 118.196 118.196 118.831 -0.635 25852 1537 1 3 . 1 1 34 34 THR HA H 34 3.916 3.916 4.105 -0.189 25852 1538 1 3 . 1 1 34 34 THR CA C 34 63.859 63.859 65.896 -2.037 25852 1539 1 3 . 1 1 34 34 THR CB C 34 65.807 65.807 68.545 -2.738 25852 1540 1 3 . 1 1 34 34 THR H H 34 7.446 7.446 7.548 -0.102 25852 1541 1 3 . 1 1 35 35 VAL N N 35 122.546 122.546 121.797 0.749 25852 1542 1 3 . 1 1 35 35 VAL HA H 35 3.373 3.373 3.887 -0.514 25852 1543 1 3 . 1 1 35 35 VAL CA C 35 64.088 64.088 66.046 -1.958 25852 1544 1 3 . 1 1 35 35 VAL CB C 35 28.799 28.799 31.049 -2.250 25852 1545 1 3 . 1 1 35 35 VAL H H 35 7.889 7.889 7.736 0.153 25852 1546 1 3 . 1 1 36 36 MET N N 36 118.307 118.307 118.317 -0.010 25852 1547 1 3 . 1 1 36 36 MET HA H 36 3.880 3.880 4.160 -0.280 25852 1548 1 3 . 1 1 36 36 MET CA C 36 56.870 56.870 58.872 -2.002 25852 1549 1 3 . 1 1 36 36 MET CB C 36 26.279 26.279 33.064 -6.785 25852 1550 1 3 . 1 1 36 36 MET H H 36 8.386 8.386 7.908 0.478 25852 1551 1 3 . 1 1 37 37 ARG N N 37 119.233 119.233 119.120 0.113 25852 1552 1 3 . 1 1 37 37 ARG HA H 37 3.904 3.904 4.667 -0.763 25852 1553 1 3 . 1 1 37 37 ARG CA C 37 56.170 56.170 58.645 -2.475 25852 1554 1 3 . 1 1 37 37 ARG CB C 37 27.310 27.310 30.315 -3.005 25852 1555 1 3 . 1 1 37 37 ARG H H 37 8.451 8.451 8.353 0.098 25852 1556 1 3 . 1 1 38 38 SER N N 38 118.720 118.720 117.018 1.702 25852 1557 1 3 . 1 1 38 38 SER HA H 38 4.176 4.176 4.313 -0.137 25852 1558 1 3 . 1 1 38 38 SER CA C 38 59.250 59.250 61.369 -2.119 25852 1559 1 3 . 1 1 38 38 SER CB C 38 67.411 67.411 62.746 4.665 25852 1560 1 3 . 1 1 38 38 SER H H 38 8.040 8.040 8.367 -0.327 25852 1561 1 3 . 1 1 39 39 LEU N N 39 120.896 120.896 119.441 1.455 25852 1562 1 3 . 1 1 39 39 LEU HA H 39 4.460 4.460 4.495 -0.035 25852 1563 1 3 . 1 1 39 39 LEU CA C 39 51.330 51.330 54.795 -3.465 25852 1564 1 3 . 1 1 39 39 LEU CB C 39 40.257 40.257 42.180 -1.923 25852 1565 1 3 . 1 1 39 39 LEU H H 39 7.263 7.263 7.333 -0.070 25852 1566 1 3 . 1 1 40 40 GLY N N 40 106.917 106.917 107.089 -0.172 25852 1567 1 3 . 1 1 40 40 GLY CA C 40 42.880 42.880 44.753 -1.873 25852 1568 1 3 . 1 1 40 40 GLY H H 40 7.841 7.841 7.988 -0.147 25852 1569 1 3 . 1 1 41 41 GLN N N 41 117.171 117.171 119.827 -2.656 25852 1570 1 3 . 1 1 41 41 GLN HA H 41 4.243 4.243 4.308 -0.065 25852 1571 1 3 . 1 1 41 41 GLN CA C 41 52.631 52.631 55.287 -2.656 25852 1572 1 3 . 1 1 41 41 GLN CB C 41 30.747 30.747 29.897 0.850 25852 1573 1 3 . 1 1 41 41 GLN H H 41 7.687 7.687 7.684 0.003 25852 1574 1 3 . 1 1 42 42 ASN N N 42 116.423 116.423 121.929 -5.506 25852 1575 1 3 . 1 1 42 42 ASN HA H 42 5.016 5.016 5.042 -0.026 25852 1576 1 3 . 1 1 42 42 ASN CA C 42 48.640 48.640 50.499 -1.859 25852 1577 1 3 . 1 1 42 42 ASN CB C 42 36.591 36.591 39.085 -2.494 25852 1578 1 3 . 1 1 42 42 ASN H H 42 8.601 8.601 8.805 -0.204 25852 1579 1 3 . 1 1 44 44 THR N N 44 113.033 113.033 114.400 -1.367 25852 1580 1 3 . 1 1 44 44 THR HA H 44 4.279 4.279 4.560 -0.281 25852 1581 1 3 . 1 1 44 44 THR CA C 44 57.640 57.640 61.158 -3.518 25852 1582 1 3 . 1 1 44 44 THR CB C 44 68.328 68.328 71.419 -3.091 25852 1583 1 3 . 1 1 44 44 THR H H 44 8.711 8.711 8.279 0.432 25852 1584 1 3 . 1 1 45 45 GLU N N 45 120.233 120.233 122.737 -2.504 25852 1585 1 3 . 1 1 45 45 GLU HA H 45 3.892 3.892 4.212 -0.320 25852 1586 1 3 . 1 1 45 45 GLU CA C 45 56.756 56.756 59.064 -2.308 25852 1587 1 3 . 1 1 45 45 GLU CB C 45 26.393 26.393 29.508 -3.115 25852 1588 1 3 . 1 1 45 45 GLU H H 45 8.781 8.781 8.930 -0.149 25852 1589 1 3 . 1 1 46 46 ALA N N 46 120.833 120.833 122.920 -2.087 25852 1590 1 3 . 1 1 46 46 ALA HA H 46 3.868 3.868 4.200 -0.332 25852 1591 1 3 . 1 1 46 46 ALA CA C 46 52.310 52.310 54.708 -2.398 25852 1592 1 3 . 1 1 46 46 ALA CB C 46 15.394 15.394 18.224 -2.830 25852 1593 1 3 . 1 1 46 46 ALA H H 46 8.251 8.251 8.072 0.179 25852 1594 1 3 . 1 1 47 47 GLU N N 47 118.672 118.672 118.153 0.519 25852 1595 1 3 . 1 1 47 47 GLU HA H 47 3.965 3.965 4.101 -0.136 25852 1596 1 3 . 1 1 47 47 GLU CA C 47 56.641 56.641 58.711 -2.070 25852 1597 1 3 . 1 1 47 47 GLU CB C 47 26.623 26.623 29.434 -2.811 25852 1598 1 3 . 1 1 47 47 GLU H H 47 7.668 7.668 8.581 -0.913 25852 1599 1 3 . 1 1 48 48 LEU N N 48 119.645 119.645 119.347 0.298 25852 1600 1 3 . 1 1 48 48 LEU HA H 48 3.892 3.892 4.188 -0.296 25852 1601 1 3 . 1 1 48 48 LEU CA C 48 55.610 55.610 57.662 -2.052 25852 1602 1 3 . 1 1 48 48 LEU CB C 48 39.340 39.340 41.359 -2.019 25852 1603 1 3 . 1 1 48 48 LEU H H 48 8.244 8.244 7.645 0.599 25852 1604 1 3 . 1 1 49 49 GLN N N 49 117.446 117.446 116.726 0.720 25852 1605 1 3 . 1 1 49 49 GLN HA H 49 3.892 3.892 4.274 -0.382 25852 1606 1 3 . 1 1 49 49 GLN CA C 49 56.756 56.756 57.758 -1.002 25852 1607 1 3 . 1 1 49 49 GLN CB C 49 26.508 26.508 28.967 -2.459 25852 1608 1 3 . 1 1 49 49 GLN H H 49 7.980 7.980 7.682 0.298 25852 1609 1 3 . 1 1 50 50 ASP N N 50 118.733 118.733 120.020 -1.287 25852 1610 1 3 . 1 1 50 50 ASP HA H 50 4.267 4.267 4.630 -0.363 25852 1611 1 3 . 1 1 50 50 ASP CA C 50 54.700 54.700 56.475 -1.775 25852 1612 1 3 . 1 1 50 50 ASP CB C 50 37.622 37.622 41.753 -4.131 25852 1613 1 3 . 1 1 50 50 ASP H H 50 7.761 7.761 7.730 0.031 25852 1614 1 3 . 1 1 51 51 MET N N 51 118.996 118.996 118.579 0.417 25852 1615 1 3 . 1 1 51 51 MET HA H 51 3.892 3.892 4.760 -0.868 25852 1616 1 3 . 1 1 51 51 MET CA C 51 56.560 56.560 58.646 -2.086 25852 1617 1 3 . 1 1 51 51 MET CB C 51 29.601 29.601 33.519 -3.918 25852 1618 1 3 . 1 1 51 51 MET H H 51 7.900 7.900 8.366 -0.466 25852 1619 1 3 . 1 1 52 52 ILE N N 52 118.833 118.833 119.882 -1.049 25852 1620 1 3 . 1 1 52 52 ILE HA H 52 3.348 3.348 3.766 -0.418 25852 1621 1 3 . 1 1 52 52 ILE CA C 52 62.484 62.484 64.236 -1.752 25852 1622 1 3 . 1 1 52 52 ILE CB C 52 35.330 35.330 37.713 -2.383 25852 1623 1 3 . 1 1 52 52 ILE H H 52 8.261 8.261 7.659 0.602 25852 1624 1 3 . 1 1 53 53 ASN N N 53 117.296 117.296 116.415 0.881 25852 1625 1 3 . 1 1 53 53 ASN HA H 53 4.243 4.243 4.441 -0.198 25852 1626 1 3 . 1 1 53 53 ASN CA C 53 53.090 53.090 56.213 -3.123 25852 1627 1 3 . 1 1 53 53 ASN CB C 53 35.330 35.330 38.666 -3.336 25852 1628 1 3 . 1 1 53 53 ASN H H 53 8.186 8.186 7.762 0.424 25852 1629 1 3 . 1 1 54 54 GLU N N 54 117.133 117.133 117.770 -0.637 25852 1630 1 3 . 1 1 54 54 GLU HA H 54 3.965 3.965 4.171 -0.206 25852 1631 1 3 . 1 1 54 54 GLU CA C 54 56.412 56.412 58.370 -1.958 25852 1632 1 3 . 1 1 54 54 GLU CB C 54 26.508 26.508 29.912 -3.404 25852 1633 1 3 . 1 1 54 54 GLU H H 54 7.501 7.501 7.609 -0.108 25852 1634 1 3 . 1 1 55 55 VAL N N 55 112.928 112.928 120.309 -7.381 25852 1635 1 3 . 1 1 55 55 VAL HA H 55 4.194 4.194 3.841 0.353 25852 1636 1 3 . 1 1 55 55 VAL CA C 55 59.505 59.505 66.465 -6.960 25852 1637 1 3 . 1 1 55 55 VAL CB C 55 30.174 30.174 32.230 -2.056 25852 1638 1 3 . 1 1 55 55 VAL H H 55 7.575 7.575 8.187 -0.612 25852 1639 1 3 . 1 1 56 56 ASP N N 56 121.771 121.771 119.938 1.833 25852 1640 1 3 . 1 1 56 56 ASP HA H 56 4.388 4.388 4.504 -0.116 25852 1641 1 3 . 1 1 56 56 ASP CA C 56 50.990 50.990 54.231 -3.241 25852 1642 1 3 . 1 1 56 56 ASP CB C 56 36.820 36.820 39.857 -3.037 25852 1643 1 3 . 1 1 56 56 ASP H H 56 8.401 8.401 7.985 0.416 25852 1644 1 3 . 1 1 57 57 ALA N N 57 124.771 124.771 121.004 3.767 25852 1645 1 3 . 1 1 57 57 ALA HA H 57 4.001 4.001 4.282 -0.281 25852 1646 1 3 . 1 1 57 57 ALA CA C 57 52.402 52.402 53.439 -1.037 25852 1647 1 3 . 1 1 57 57 ALA CB C 57 15.280 15.280 19.269 -3.989 25852 1648 1 3 . 1 1 57 57 ALA H H 57 8.097 8.097 8.028 0.069 25852 1649 1 3 . 1 1 58 58 ASP N N 58 114.518 114.518 118.965 -4.447 25852 1650 1 3 . 1 1 58 58 ASP HA H 58 4.400 4.400 4.664 -0.264 25852 1651 1 3 . 1 1 58 58 ASP CA C 58 50.798 50.798 54.235 -3.437 25852 1652 1 3 . 1 1 58 58 ASP CB C 58 36.934 36.934 42.062 -5.128 25852 1653 1 3 . 1 1 58 58 ASP H H 58 8.376 8.376 7.785 0.591 25852 1654 1 3 . 1 1 59 59 GLY N N 59 108.798 108.798 108.284 0.514 25852 1655 1 3 . 1 1 59 59 GLY CA C 59 44.490 44.490 45.533 -1.043 25852 1656 1 3 . 1 1 59 59 GLY H H 59 7.827 7.827 8.739 -0.912 25852 1657 1 3 . 1 1 60 60 ASN N N 60 119.696 119.696 118.232 1.464 25852 1658 1 3 . 1 1 60 60 ASN HA H 60 4.688 4.688 4.713 -0.025 25852 1659 1 3 . 1 1 60 60 ASN CA C 60 51.943 51.943 53.038 -1.095 25852 1660 1 3 . 1 1 60 60 ASN CB C 60 38.424 38.424 39.246 -0.822 25852 1661 1 3 . 1 1 60 60 ASN H H 60 9.253 9.253 8.211 1.042 25852 1662 1 3 . 1 1 61 61 GLY N N 61 110.108 110.108 109.325 0.783 25852 1663 1 3 . 1 1 61 61 GLY CA C 61 42.870 42.870 45.548 -2.678 25852 1664 1 3 . 1 1 61 61 GLY H H 61 10.004 10.004 8.556 1.448 25852 1665 1 3 . 1 1 62 62 THR N N 62 110.533 110.533 112.702 -2.169 25852 1666 1 3 . 1 1 62 62 THR HA H 62 4.629 4.629 4.476 0.153 25852 1667 1 3 . 1 1 62 62 THR CA C 62 59.162 59.162 60.187 -1.025 25852 1668 1 3 . 1 1 62 62 THR CB C 62 67.526 67.526 72.613 -5.087 25852 1669 1 3 . 1 1 62 62 THR H H 62 7.481 7.481 7.408 0.073 25852 1670 1 3 . 1 1 63 63 ILE N N 63 118.533 118.533 121.493 -2.960 25852 1671 1 3 . 1 1 63 63 ILE HA H 63 3.783 3.783 4.251 -0.468 25852 1672 1 3 . 1 1 63 63 ILE CA C 63 60.537 60.537 60.564 -0.027 25852 1673 1 3 . 1 1 63 63 ILE CB C 63 36.018 36.018 41.088 -5.070 25852 1674 1 3 . 1 1 63 63 ILE H H 63 8.820 8.820 7.911 0.909 25852 1675 1 3 . 1 1 64 64 ASP N N 64 122.928 122.928 120.468 2.460 25852 1676 1 3 . 1 1 64 64 ASP HA H 64 4.327 4.327 5.061 -0.734 25852 1677 1 3 . 1 1 64 64 ASP CA C 64 51.027 51.027 53.183 -2.156 25852 1678 1 3 . 1 1 64 64 ASP CB C 64 37.278 37.278 43.910 -6.632 25852 1679 1 3 . 1 1 64 64 ASP H H 64 8.380 8.380 8.116 0.264 25852 1680 1 3 . 1 1 65 65 PHE N N 65 118.559 118.559 119.348 -0.789 25852 1681 1 3 . 1 1 65 65 PHE HA H 65 3.880 3.880 3.822 0.058 25852 1682 1 3 . 1 1 65 65 PHE CA C 65 56.870 56.870 59.340 -2.470 25852 1683 1 3 . 1 1 65 65 PHE CB C 65 33.497 33.497 36.194 -2.697 25852 1684 1 3 . 1 1 65 65 PHE H H 65 8.559 8.559 7.771 0.788 25852 1685 1 3 . 1 1 67 67 GLU N N 67 117.546 117.546 114.868 2.678 25852 1686 1 3 . 1 1 67 67 GLU HA H 67 3.904 3.904 4.474 -0.570 25852 1687 1 3 . 1 1 67 67 GLU CA C 67 56.870 56.870 56.727 0.142 25852 1688 1 3 . 1 1 67 67 GLU CB C 67 26.623 26.623 30.646 -4.023 25852 1689 1 3 . 1 1 67 67 GLU H H 67 7.995 7.995 8.423 -0.428 25852 1690 1 3 . 1 1 68 68 PHE N N 68 122.032 122.032 119.054 2.978 25852 1691 1 3 . 1 1 68 68 PHE HA H 68 3.904 3.904 4.683 -0.779 25852 1692 1 3 . 1 1 68 68 PHE CA C 68 59.047 59.047 57.425 1.622 25852 1693 1 3 . 1 1 68 68 PHE CB C 68 36.934 36.934 37.703 -0.769 25852 1694 1 3 . 1 1 68 68 PHE H H 68 8.377 8.377 7.927 0.450 25852 1695 1 3 . 1 1 69 69 LEU N N 69 118.488 118.488 120.806 -2.318 25852 1696 1 3 . 1 1 69 69 LEU HA H 69 3.179 3.179 3.395 -0.216 25852 1697 1 3 . 1 1 69 69 LEU CA C 69 55.158 55.158 58.028 -2.870 25852 1698 1 3 . 1 1 69 69 LEU CB C 69 38.195 38.195 40.980 -2.785 25852 1699 1 3 . 1 1 69 69 LEU H H 69 8.393 8.393 8.246 0.147 25852 1700 1 3 . 1 1 70 70 THR N N 70 115.208 115.208 114.470 0.738 25852 1701 1 3 . 1 1 70 70 THR HA H 70 3.638 3.638 3.902 -0.264 25852 1702 1 3 . 1 1 70 70 THR CA C 70 63.630 63.630 66.424 -2.795 25852 1703 1 3 . 1 1 70 70 THR CB C 70 65.578 65.578 68.292 -2.714 25852 1704 1 3 . 1 1 70 70 THR H H 70 7.658 7.658 8.276 -0.618 25852 1705 1 3 . 1 1 71 71 MET N N 71 121.221 121.221 119.877 1.344 25852 1706 1 3 . 1 1 71 71 MET HA H 71 3.892 3.892 4.217 -0.325 25852 1707 1 3 . 1 1 71 71 MET CA C 71 56.303 56.303 58.914 -2.611 25852 1708 1 3 . 1 1 71 71 MET CB C 71 29.831 29.831 32.427 -2.596 25852 1709 1 3 . 1 1 71 71 MET H H 71 7.653 7.653 7.268 0.385 25852 1710 1 3 . 1 1 72 72 MET N N 72 117.459 117.459 117.606 -0.147 25852 1711 1 3 . 1 1 72 72 MET HA H 72 3.892 3.892 4.280 -0.388 25852 1712 1 3 . 1 1 72 72 MET CA C 72 53.777 53.777 57.098 -3.321 25852 1713 1 3 . 1 1 72 72 MET CB C 72 29.029 29.029 31.722 -2.693 25852 1714 1 3 . 1 1 72 72 MET H H 72 7.956 7.956 7.528 0.428 25852 1715 1 3 . 1 1 73 73 ALA N N 73 120.856 120.856 121.572 -0.716 25852 1716 1 3 . 1 1 73 73 ALA HA H 73 3.868 3.868 4.101 -0.233 25852 1717 1 3 . 1 1 73 73 ALA CA C 73 52.402 52.402 54.640 -2.238 25852 1718 1 3 . 1 1 73 73 ALA CB C 73 15.280 15.280 18.840 -3.560 25852 1719 1 3 . 1 1 73 73 ALA H H 73 8.230 8.230 8.295 -0.065 25852 1720 1 3 . 1 1 74 74 ARG N N 74 116.530 116.530 116.224 0.306 25852 1721 1 3 . 1 1 74 74 ARG HA H 74 3.892 3.892 4.300 -0.408 25852 1722 1 3 . 1 1 74 74 ARG CA C 74 56.297 56.297 58.069 -1.772 25852 1723 1 3 . 1 1 74 74 ARG CB C 74 27.997 27.997 29.887 -1.890 25852 1724 1 3 . 1 1 74 74 ARG H H 74 7.409 7.409 7.948 -0.539 25852 1725 1 3 . 1 1 75 75 LYS N N 75 118.008 118.008 120.523 -2.515 25852 1726 1 3 . 1 1 75 75 LYS HA H 75 3.965 3.965 4.165 -0.200 25852 1727 1 3 . 1 1 75 75 LYS CA C 75 55.495 55.495 58.825 -3.330 25852 1728 1 3 . 1 1 75 75 LYS CB C 75 26.279 26.279 32.476 -6.197 25852 1729 1 3 . 1 1 75 75 LYS H H 75 7.657 7.657 7.853 -0.196 25852 1730 1 3 . 1 1 76 76 MET N N 76 117.646 117.646 112.798 4.848 25852 1731 1 3 . 1 1 76 76 MET HA H 76 4.146 4.146 4.672 -0.526 25852 1732 1 3 . 1 1 76 76 MET CA C 76 53.947 53.947 57.490 -3.543 25852 1733 1 3 . 1 1 76 76 MET CB C 76 29.487 29.487 34.423 -4.936 25852 1734 1 3 . 1 1 76 76 MET H H 76 7.883 7.883 7.480 0.403 25852 1735 1 3 . 1 1 77 77 LYS N N 77 120.334 120.334 119.547 0.787 25852 1736 1 3 . 1 1 77 77 LYS HA H 77 3.941 3.941 4.140 -0.199 25852 1737 1 3 . 1 1 77 77 LYS CA C 77 56.526 56.526 58.820 -2.294 25852 1738 1 3 . 1 1 77 77 LYS CB C 77 27.425 27.425 32.500 -5.075 25852 1739 1 3 . 1 1 77 77 LYS H H 77 7.658 7.658 7.951 -0.293 25852 1740 1 3 . 1 1 78 78 ASP N N 78 121.733 121.733 116.473 5.260 25852 1741 1 3 . 1 1 78 78 ASP HA H 78 4.194 4.194 4.777 -0.583 25852 1742 1 3 . 1 1 78 78 ASP CA C 78 52.516 52.516 54.982 -2.466 25852 1743 1 3 . 1 1 78 78 ASP CB C 78 40.028 40.028 41.761 -1.733 25852 1744 1 3 . 1 1 78 78 ASP H H 78 8.212 8.212 7.764 0.448 25852 1745 1 3 . 1 1 79 79 THR N N 79 114.651 114.651 114.992 -0.341 25852 1746 1 3 . 1 1 79 79 THR HA H 79 4.170 4.170 4.166 0.004 25852 1747 1 3 . 1 1 79 79 THR CA C 79 59.391 59.391 64.543 -5.152 25852 1748 1 3 . 1 1 79 79 THR CB C 79 67.067 67.067 69.580 -2.513 25852 1749 1 3 . 1 1 79 79 THR H H 79 8.048 8.048 8.073 -0.025 25852 1750 1 3 . 1 1 80 80 ASP N N 80 122.484 122.484 119.782 2.702 25852 1751 1 3 . 1 1 80 80 ASP HA H 80 4.363 4.363 4.827 -0.464 25852 1752 1 3 . 1 1 80 80 ASP CA C 80 50.850 50.850 54.193 -3.343 25852 1753 1 3 . 1 1 80 80 ASP CB C 80 36.705 36.705 42.624 -5.919 25852 1754 1 3 . 1 1 80 80 ASP H H 80 8.432 8.432 8.331 0.101 25852 1755 1 3 . 1 1 81 81 SER N N 81 117.135 117.135 118.188 -1.053 25852 1756 1 3 . 1 1 81 81 SER HA H 81 4.267 4.267 4.600 -0.333 25852 1757 1 3 . 1 1 81 81 SER CA C 81 56.870 56.870 59.786 -2.916 25852 1758 1 3 . 1 1 81 81 SER CB C 81 60.884 60.884 63.469 -2.586 25852 1759 1 3 . 1 1 81 81 SER H H 81 8.403 8.403 8.659 -0.256 25852 1760 1 3 . 1 1 82 82 GLU N N 82 121.723 121.723 121.611 0.112 25852 1761 1 3 . 1 1 82 82 GLU HA H 82 3.883 3.883 4.251 -0.368 25852 1762 1 3 . 1 1 82 82 GLU CA C 82 56.707 56.707 59.143 -2.436 25852 1763 1 3 . 1 1 82 82 GLU CB C 82 29.831 29.831 29.319 0.512 25852 1764 1 3 . 1 1 82 82 GLU H H 82 8.443 8.443 8.504 -0.061 25852 1765 1 3 . 1 1 83 83 GLU N N 83 119.259 119.259 118.307 0.952 25852 1766 1 3 . 1 1 83 83 GLU HA H 83 3.883 3.883 4.165 -0.282 25852 1767 1 3 . 1 1 83 83 GLU CA C 83 56.606 56.606 58.797 -2.191 25852 1768 1 3 . 1 1 83 83 GLU CB C 83 29.364 29.364 29.238 0.127 25852 1769 1 3 . 1 1 83 83 GLU H H 83 8.118 8.118 8.758 -0.640 25852 1770 1 3 . 1 1 84 84 GLU N N 84 118.060 118.060 117.822 0.238 25852 1771 1 3 . 1 1 84 84 GLU HA H 84 3.871 3.871 4.193 -0.322 25852 1772 1 3 . 1 1 84 84 GLU CA C 84 56.606 56.606 58.462 -1.856 25852 1773 1 3 . 1 1 84 84 GLU CB C 84 25.817 25.817 29.554 -3.737 25852 1774 1 3 . 1 1 84 84 GLU H H 84 8.212 8.212 7.817 0.395 25852 1775 1 3 . 1 1 85 85 ILE N N 85 120.736 120.736 118.848 1.888 25852 1776 1 3 . 1 1 85 85 ILE HA H 85 3.678 3.678 4.043 -0.365 25852 1777 1 3 . 1 1 85 85 ILE CA C 85 62.484 62.484 64.906 -2.422 25852 1778 1 3 . 1 1 85 85 ILE CB C 85 35.445 35.445 38.450 -3.005 25852 1779 1 3 . 1 1 85 85 ILE H H 85 7.964 7.964 7.379 0.585 25852 1780 1 3 . 1 1 86 86 ARG N N 86 121.452 121.452 119.833 1.619 25852 1781 1 3 . 1 1 86 86 ARG HA H 86 3.989 3.989 4.288 -0.299 25852 1782 1 3 . 1 1 86 86 ARG CA C 86 56.985 56.985 59.246 -2.261 25852 1783 1 3 . 1 1 86 86 ARG CB C 86 26.856 26.856 29.436 -2.580 25852 1784 1 3 . 1 1 86 86 ARG H H 86 8.351 8.351 8.005 0.346 25852 1785 1 3 . 1 1 87 87 GLU N N 87 118.288 118.288 119.625 -1.337 25852 1786 1 3 . 1 1 87 87 GLU HA H 87 3.861 3.861 4.327 -0.466 25852 1787 1 3 . 1 1 87 87 GLU CA C 87 56.606 56.606 58.480 -1.874 25852 1788 1 3 . 1 1 87 87 GLU CB C 87 25.817 25.817 29.585 -3.768 25852 1789 1 3 . 1 1 87 87 GLU H H 87 8.238 8.238 7.886 0.352 25852 1790 1 3 . 1 1 88 88 ALA N N 88 120.408 120.408 122.476 -2.068 25852 1791 1 3 . 1 1 88 88 ALA HA H 88 4.013 4.013 4.292 -0.279 25852 1792 1 3 . 1 1 88 88 ALA CA C 88 52.263 52.263 55.051 -2.788 25852 1793 1 3 . 1 1 88 88 ALA CB C 88 15.080 15.080 18.590 -3.510 25852 1794 1 3 . 1 1 88 88 ALA H H 88 7.960 7.960 8.405 -0.445 25852 1795 1 3 . 1 1 89 89 PHE N N 89 118.123 118.123 116.770 1.353 25852 1796 1 3 . 1 1 89 89 PHE HA H 89 3.058 3.058 4.447 -1.389 25852 1797 1 3 . 1 1 89 89 PHE CA C 89 59.703 59.703 59.314 0.389 25852 1798 1 3 . 1 1 89 89 PHE CB C 89 36.774 36.774 39.182 -2.408 25852 1799 1 3 . 1 1 89 89 PHE H H 89 8.498 8.498 7.388 1.110 25852 1800 1 3 . 1 1 90 90 ARG N N 90 116.002 116.002 117.596 -1.594 25852 1801 1 3 . 1 1 90 90 ARG HA H 90 3.892 3.892 3.759 0.134 25852 1802 1 3 . 1 1 90 90 ARG CA C 90 56.168 56.168 57.003 -0.835 25852 1803 1 3 . 1 1 90 90 ARG CB C 90 27.654 27.654 30.175 -2.521 25852 1804 1 3 . 1 1 90 90 ARG H H 90 7.860 7.860 7.600 0.260 25852 1805 1 3 . 1 1 91 91 VAL N N 91 118.008 118.008 117.322 0.686 25852 1806 1 3 . 1 1 91 91 VAL HA H 91 3.243 3.243 3.887 -0.644 25852 1807 1 3 . 1 1 91 91 VAL CA C 91 63.357 63.357 65.516 -2.159 25852 1808 1 3 . 1 1 91 91 VAL CB C 91 28.444 28.444 32.589 -4.145 25852 1809 1 3 . 1 1 91 91 VAL H H 91 7.300 7.300 7.507 -0.207 25852 1810 1 3 . 1 1 92 92 PHE N N 92 113.024 113.024 115.199 -2.175 25852 1811 1 3 . 1 1 92 92 PHE HA H 92 3.967 3.967 4.322 -0.355 25852 1812 1 3 . 1 1 92 92 PHE CA C 92 57.558 57.558 59.411 -1.853 25852 1813 1 3 . 1 1 92 92 PHE CB C 92 38.838 38.838 40.747 -1.909 25852 1814 1 3 . 1 1 92 92 PHE H H 92 6.805 6.805 7.988 -1.183 25852 1815 1 3 . 1 1 93 93 ASP N N 93 116.393 116.393 119.780 -3.387 25852 1816 1 3 . 1 1 93 93 ASP HA H 93 4.496 4.496 4.438 0.058 25852 1817 1 3 . 1 1 93 93 ASP CA C 93 49.525 49.525 55.153 -5.628 25852 1818 1 3 . 1 1 93 93 ASP CB C 93 35.788 35.788 40.453 -4.665 25852 1819 1 3 . 1 1 93 93 ASP H H 93 8.018 8.018 7.762 0.256 25852 1820 1 3 . 1 1 94 94 LYS N N 94 125.158 125.158 123.792 1.366 25852 1821 1 3 . 1 1 94 94 LYS HA H 94 3.892 3.892 4.078 -0.186 25852 1822 1 3 . 1 1 94 94 LYS CA C 94 56.183 56.183 58.196 -2.013 25852 1823 1 3 . 1 1 94 94 LYS CB C 94 29.945 29.945 32.942 -2.997 25852 1824 1 3 . 1 1 94 94 LYS H H 94 7.721 7.721 7.910 -0.189 25852 1825 1 3 . 1 1 95 95 ASP N N 95 113.893 113.893 117.954 -4.061 25852 1826 1 3 . 1 1 95 95 ASP HA H 95 4.415 4.415 4.464 -0.049 25852 1827 1 3 . 1 1 95 95 ASP CA C 95 50.683 50.683 54.878 -4.195 25852 1828 1 3 . 1 1 95 95 ASP CB C 95 36.774 36.774 40.348 -3.574 25852 1829 1 3 . 1 1 95 95 ASP H H 95 8.156 8.156 8.304 -0.148 25852 1830 1 3 . 1 1 96 96 GLY N N 96 108.799 108.799 107.293 1.506 25852 1831 1 3 . 1 1 96 96 GLY CA C 96 44.344 44.344 46.249 -1.905 25852 1832 1 3 . 1 1 96 96 GLY H H 96 7.717 7.717 8.452 -0.735 25852 1833 1 3 . 1 1 97 97 ASN N N 97 119.381 119.381 118.165 1.216 25852 1834 1 3 . 1 1 97 97 ASN HA H 97 4.500 4.500 4.806 -0.306 25852 1835 1 3 . 1 1 97 97 ASN CA C 97 49.916 49.916 52.987 -3.071 25852 1836 1 3 . 1 1 97 97 ASN CB C 97 35.183 35.183 39.143 -3.960 25852 1837 1 3 . 1 1 97 97 ASN H H 97 8.312 8.312 8.235 0.077 25852 1838 1 3 . 1 1 98 98 GLY N N 98 112.330 112.330 105.976 6.354 25852 1839 1 3 . 1 1 98 98 GLY CA C 98 42.434 42.434 45.285 -2.851 25852 1840 1 3 . 1 1 98 98 GLY H H 98 10.555 10.555 8.034 2.521 25852 1841 1 3 . 1 1 99 99 TYR N N 99 116.075 116.075 119.400 -3.325 25852 1842 1 3 . 1 1 99 99 TYR HA H 99 4.871 4.871 4.847 0.024 25852 1843 1 3 . 1 1 99 99 TYR CA C 99 53.582 53.582 56.309 -2.727 25852 1844 1 3 . 1 1 99 99 TYR CB C 99 39.981 39.981 39.704 0.277 25852 1845 1 3 . 1 1 99 99 TYR H H 99 7.650 7.650 7.807 -0.157 25852 1846 1 3 . 1 1 100 100 ILE N N 100 126.834 126.834 126.461 0.373 25852 1847 1 3 . 1 1 100 100 ILE HA H 100 4.493 4.493 4.165 0.328 25852 1848 1 3 . 1 1 100 100 ILE CA C 100 58.616 58.616 61.498 -2.881 25852 1849 1 3 . 1 1 100 100 ILE CB C 100 35.903 35.903 36.425 -0.522 25852 1850 1 3 . 1 1 100 100 ILE H H 100 10.037 10.037 8.717 1.320 25852 1851 1 3 . 1 1 101 101 SER N N 101 123.486 123.486 122.560 0.926 25852 1852 1 3 . 1 1 101 101 SER HA H 101 4.738 4.738 4.569 0.169 25852 1853 1 3 . 1 1 101 101 SER CA C 101 52.897 52.897 57.710 -4.813 25852 1854 1 3 . 1 1 101 101 SER CB C 101 64.134 64.134 64.543 -0.409 25852 1855 1 3 . 1 1 101 101 SER H H 101 8.904 8.904 7.874 1.030 25852 1856 1 3 . 1 1 102 102 ALA N N 102 122.796 122.796 122.765 0.031 25852 1857 1 3 . 1 1 102 102 ALA HA H 102 3.747 3.747 4.028 -0.281 25852 1858 1 3 . 1 1 102 102 ALA CA C 102 53.093 53.093 55.096 -2.003 25852 1859 1 3 . 1 1 102 102 ALA CB C 102 15.114 15.114 18.221 -3.107 25852 1860 1 3 . 1 1 102 102 ALA H H 102 9.246 9.246 8.694 0.552 25852 1861 1 3 . 1 1 103 103 ALA N N 103 118.362 118.362 118.180 0.182 25852 1862 1 3 . 1 1 103 103 ALA HA H 103 3.861 3.861 4.163 -0.302 25852 1863 1 3 . 1 1 103 103 ALA CA C 103 52.409 52.409 53.809 -1.400 25852 1864 1 3 . 1 1 103 103 ALA CB C 103 15.456 15.456 18.690 -3.234 25852 1865 1 3 . 1 1 103 103 ALA H H 103 8.214 8.214 8.299 -0.085 25852 1866 1 3 . 1 1 104 104 GLU N N 104 120.187 120.187 120.172 0.015 25852 1867 1 3 . 1 1 104 104 GLU HA H 104 3.904 3.904 4.174 -0.270 25852 1868 1 3 . 1 1 104 104 GLU CA C 104 56.563 56.563 58.390 -1.827 25852 1869 1 3 . 1 1 104 104 GLU CB C 104 26.400 26.400 29.564 -3.164 25852 1870 1 3 . 1 1 104 104 GLU H H 104 7.864 7.864 7.790 0.074 25852 1871 1 3 . 1 1 105 105 LEU N N 105 121.050 121.050 120.528 0.522 25852 1872 1 3 . 1 1 105 105 LEU HA H 105 3.892 3.892 4.158 -0.266 25852 1873 1 3 . 1 1 105 105 LEU CA C 105 55.732 55.732 58.119 -2.387 25852 1874 1 3 . 1 1 105 105 LEU CB C 105 39.340 39.340 42.128 -2.788 25852 1875 1 3 . 1 1 105 105 LEU H H 105 8.341 8.341 8.858 -0.517 25852 1876 1 3 . 1 1 106 106 ARG N N 106 118.494 118.494 119.302 -0.808 25852 1877 1 3 . 1 1 106 106 ARG HA H 106 3.904 3.904 4.053 -0.149 25852 1878 1 3 . 1 1 106 106 ARG CA C 106 55.724 55.724 58.758 -3.034 25852 1879 1 3 . 1 1 106 106 ARG CB C 106 29.945 29.945 29.126 0.819 25852 1880 1 3 . 1 1 106 106 ARG H H 106 8.852 8.852 7.737 1.115 25852 1881 1 3 . 1 1 107 107 HIS N N 107 118.921 118.921 119.226 -0.305 25852 1882 1 3 . 1 1 107 107 HIS HA H 107 3.876 3.876 4.404 -0.528 25852 1883 1 3 . 1 1 107 107 HIS CA C 107 56.807 56.807 59.267 -2.460 25852 1884 1 3 . 1 1 107 107 HIS CB C 107 27.198 27.198 29.826 -2.628 25852 1885 1 3 . 1 1 107 107 HIS H H 107 8.045 8.045 8.463 -0.418 25852 1886 1 3 . 1 1 108 108 VAL N N 108 118.991 118.991 120.503 -1.512 25852 1887 1 3 . 1 1 108 108 VAL HA H 108 3.385 3.385 3.499 -0.114 25852 1888 1 3 . 1 1 108 108 VAL CA C 108 64.285 64.285 66.572 -2.287 25852 1889 1 3 . 1 1 108 108 VAL CB C 108 28.908 28.908 31.093 -2.184 25852 1890 1 3 . 1 1 108 108 VAL H H 108 7.766 7.766 8.576 -0.810 25852 1891 1 3 . 1 1 109 109 MET N N 109 115.789 115.789 119.167 -3.378 25852 1892 1 3 . 1 1 109 109 MET HA H 109 4.139 4.139 3.971 0.168 25852 1893 1 3 . 1 1 109 109 MET CA C 109 54.461 54.461 59.945 -5.484 25852 1894 1 3 . 1 1 109 109 MET CB C 109 29.706 29.706 32.426 -2.720 25852 1895 1 3 . 1 1 109 109 MET H H 109 8.333 8.333 8.568 -0.235 25852 1896 1 3 . 1 1 110 110 THR N N 110 116.700 116.700 112.869 3.831 25852 1897 1 3 . 1 1 110 110 THR HA H 110 3.935 3.935 4.177 -0.242 25852 1898 1 3 . 1 1 110 110 THR CA C 110 63.845 63.845 65.347 -1.502 25852 1899 1 3 . 1 1 110 110 THR CB C 110 66.072 66.072 67.991 -1.919 25852 1900 1 3 . 1 1 110 110 THR H H 110 8.603 8.603 8.311 0.292 25852 1901 1 3 . 1 1 111 111 ASN N N 111 123.354 123.354 119.379 3.975 25852 1902 1 3 . 1 1 111 111 ASN HA H 111 4.242 4.242 4.584 -0.342 25852 1903 1 3 . 1 1 111 111 ASN CA C 111 53.093 53.093 55.346 -2.253 25852 1904 1 3 . 1 1 111 111 ASN CB C 111 35.292 35.292 38.730 -3.438 25852 1905 1 3 . 1 1 111 111 ASN H H 111 7.991 7.991 7.381 0.610 25852 1906 1 3 . 1 1 112 112 LEU N N 112 118.291 118.291 117.801 0.490 25852 1907 1 3 . 1 1 112 112 LEU HA H 112 4.182 4.182 4.213 -0.031 25852 1908 1 3 . 1 1 112 112 LEU CA C 112 52.653 52.653 56.090 -3.438 25852 1909 1 3 . 1 1 112 112 LEU CB C 112 39.738 39.738 42.703 -2.965 25852 1910 1 3 . 1 1 112 112 LEU H H 112 7.754 7.754 8.002 -0.248 25852 1911 1 3 . 1 1 113 113 GLY N N 113 106.894 106.894 104.663 2.231 25852 1912 1 3 . 1 1 113 113 GLY CA C 113 42.536 42.536 44.599 -2.062 25852 1913 1 3 . 1 1 113 113 GLY H H 113 7.778 7.778 8.158 -0.380 25852 1914 1 3 . 1 1 114 114 GLU N N 114 119.776 119.776 121.422 -1.646 25852 1915 1 3 . 1 1 114 114 GLU HA H 114 4.267 4.267 4.490 -0.223 25852 1916 1 3 . 1 1 114 114 GLU CA C 114 52.067 52.067 55.252 -3.185 25852 1917 1 3 . 1 1 114 114 GLU CB C 114 26.616 26.616 32.186 -5.570 25852 1918 1 3 . 1 1 114 114 GLU H H 114 7.957 7.957 8.492 -0.535 25852 1919 1 3 . 1 1 115 115 LYS N N 115 124.429 124.429 121.327 3.102 25852 1920 1 3 . 1 1 115 115 LYS HA H 115 4.255 4.255 4.466 -0.211 25852 1921 1 3 . 1 1 115 115 LYS CA C 115 52.848 52.848 55.491 -2.643 25852 1922 1 3 . 1 1 115 115 LYS CB C 115 30.518 30.518 33.640 -3.122 25852 1923 1 3 . 1 1 115 115 LYS H H 115 8.591 8.591 8.393 0.198 25852 1924 1 3 . 1 1 116 116 LEU N N 116 124.724 124.724 125.113 -0.389 25852 1925 1 3 . 1 1 116 116 LEU HA H 116 4.690 4.690 4.829 -0.139 25852 1926 1 3 . 1 1 116 116 LEU CA C 116 51.089 51.089 54.046 -2.957 25852 1927 1 3 . 1 1 116 116 LEU CB C 116 42.588 42.588 44.885 -2.297 25852 1928 1 3 . 1 1 116 116 LEU H H 116 8.066 8.066 8.458 -0.392 25852 1929 1 3 . 1 1 117 117 THR N N 117 113.912 113.912 117.745 -3.833 25852 1930 1 3 . 1 1 117 117 THR HA H 117 4.302 4.302 4.345 -0.043 25852 1931 1 3 . 1 1 117 117 THR CA C 117 57.834 57.834 62.252 -4.418 25852 1932 1 3 . 1 1 117 117 THR CB C 117 68.580 68.580 70.864 -2.284 25852 1933 1 3 . 1 1 117 117 THR H H 117 9.165 9.165 8.838 0.327 25852 1934 1 3 . 1 1 118 118 ASP N N 118 120.787 120.787 120.068 0.719 25852 1935 1 3 . 1 1 118 118 ASP HA H 118 4.061 4.061 4.442 -0.381 25852 1936 1 3 . 1 1 118 118 ASP CA C 118 55.243 55.243 57.541 -2.297 25852 1937 1 3 . 1 1 118 118 ASP CB C 118 37.002 37.002 40.985 -3.983 25852 1938 1 3 . 1 1 118 118 ASP H H 118 8.860 8.860 8.765 0.095 25852 1939 1 3 . 1 1 119 119 GLU N N 119 119.091 119.091 117.222 1.869 25852 1940 1 3 . 1 1 119 119 GLU HA H 119 3.892 3.892 4.285 -0.393 25852 1941 1 3 . 1 1 119 119 GLU CA C 119 57.149 57.149 57.361 -0.212 25852 1942 1 3 . 1 1 119 119 GLU CB C 119 25.931 25.931 29.383 -3.452 25852 1943 1 3 . 1 1 119 119 GLU H H 119 8.618 8.618 8.649 -0.031 25852 1944 1 3 . 1 1 120 120 GLU N N 120 120.037 120.037 117.944 2.093 25852 1945 1 3 . 1 1 120 120 GLU HA H 120 3.880 3.880 4.215 -0.335 25852 1946 1 3 . 1 1 120 120 GLU CA C 120 56.319 56.319 57.757 -1.438 25852 1947 1 3 . 1 1 120 120 GLU CB C 120 25.830 25.830 29.805 -3.975 25852 1948 1 3 . 1 1 120 120 GLU H H 120 7.659 7.659 8.549 -0.890 25852 1949 1 3 . 1 1 121 121 VAL N N 121 122.512 122.512 114.337 8.175 25852 1950 1 3 . 1 1 121 121 VAL HA H 121 3.385 3.385 4.028 -0.643 25852 1951 1 3 . 1 1 121 121 VAL CA C 121 64.090 64.090 63.930 0.160 25852 1952 1 3 . 1 1 121 121 VAL CB C 121 28.680 28.680 31.985 -3.305 25852 1953 1 3 . 1 1 121 121 VAL H H 121 7.887 7.887 7.240 0.647 25852 1954 1 3 . 1 1 122 122 ASP N N 122 119.993 119.993 121.962 -1.969 25852 1955 1 3 . 1 1 122 122 ASP HA H 122 4.157 4.157 4.552 -0.395 25852 1956 1 3 . 1 1 122 122 ASP CA C 122 54.901 54.901 56.159 -1.258 25852 1957 1 3 . 1 1 122 122 ASP CB C 122 37.572 37.572 39.500 -1.928 25852 1958 1 3 . 1 1 122 122 ASP H H 122 7.973 7.973 8.599 -0.626 25852 1959 1 3 . 1 1 123 123 GLU N N 123 119.521 119.521 114.937 4.584 25852 1960 1 3 . 1 1 123 123 GLU HA H 123 3.880 3.880 4.509 -0.629 25852 1961 1 3 . 1 1 123 123 GLU CA C 123 56.612 56.612 56.405 0.207 25852 1962 1 3 . 1 1 123 123 GLU CB C 123 26.172 26.172 30.901 -4.729 25852 1963 1 3 . 1 1 123 123 GLU H H 123 7.903 7.903 8.138 -0.235 25852 1964 1 3 . 1 1 124 124 MET N N 124 118.961 118.961 119.372 -0.411 25852 1965 1 3 . 1 1 124 124 MET HA H 124 3.892 3.892 4.537 -0.645 25852 1966 1 3 . 1 1 124 124 MET CA C 124 56.905 56.905 56.014 0.891 25852 1967 1 3 . 1 1 124 124 MET CB C 124 29.250 29.250 33.396 -4.146 25852 1968 1 3 . 1 1 124 124 MET H H 124 7.496 7.496 7.926 -0.430 25852 1969 1 3 . 1 1 125 125 ILE N N 125 117.801 117.801 118.991 -1.190 25852 1970 1 3 . 1 1 125 125 ILE HA H 125 3.409 3.409 3.884 -0.475 25852 1971 1 3 . 1 1 125 125 ILE CA C 125 60.131 60.131 64.087 -3.956 25852 1972 1 3 . 1 1 125 125 ILE CB C 125 33.240 33.240 37.946 -4.706 25852 1973 1 3 . 1 1 125 125 ILE H H 125 7.762 7.762 7.594 0.168 25852 1974 1 3 . 1 1 126 126 ARG N N 126 117.729 117.729 118.879 -1.150 25852 1975 1 3 . 1 1 126 126 ARG HA H 126 3.883 3.883 4.036 -0.153 25852 1976 1 3 . 1 1 126 126 ARG CA C 126 56.673 56.673 59.428 -2.755 25852 1977 1 3 . 1 1 126 126 ARG CB C 126 29.478 29.478 29.802 -0.324 25852 1978 1 3 . 1 1 126 126 ARG H H 126 8.055 8.055 8.629 -0.574 25852 1979 1 3 . 1 1 127 127 GLU N N 127 117.539 117.539 115.688 1.851 25852 1980 1 3 . 1 1 127 127 GLU HA H 127 3.861 3.861 4.152 -0.291 25852 1981 1 3 . 1 1 127 127 GLU CA C 127 56.319 56.319 58.461 -2.142 25852 1982 1 3 . 1 1 127 127 GLU CB C 127 26.286 26.286 29.408 -3.122 25852 1983 1 3 . 1 1 127 127 GLU H H 127 7.700 7.700 8.403 -0.703 25852 1984 1 3 . 1 1 128 128 ALA N N 128 116.677 116.677 119.149 -2.472 25852 1985 1 3 . 1 1 128 128 ALA HA H 128 4.500 4.500 4.379 0.121 25852 1986 1 3 . 1 1 128 128 ALA CA C 128 48.205 48.205 51.930 -3.725 25852 1987 1 3 . 1 1 128 128 ALA CB C 128 19.633 19.633 20.939 -1.306 25852 1988 1 3 . 1 1 128 128 ALA H H 128 7.223 7.223 7.464 -0.241 25852 1989 1 3 . 1 1 129 129 ASP N N 129 118.030 118.030 119.941 -1.911 25852 1990 1 3 . 1 1 129 129 ASP HA H 129 4.460 4.460 4.526 -0.066 25852 1991 1 3 . 1 1 129 129 ASP CA C 129 51.485 51.485 56.000 -4.515 25852 1992 1 3 . 1 1 129 129 ASP CB C 129 38.195 38.195 41.260 -3.064 25852 1993 1 3 . 1 1 129 129 ASP H H 129 7.895 7.895 8.380 -0.485 25852 1994 1 3 . 1 1 130 130 ILE N N 130 127.693 127.693 126.170 1.523 25852 1995 1 3 . 1 1 130 130 ILE HA H 130 3.797 3.797 4.060 -0.263 25852 1996 1 3 . 1 1 130 130 ILE CA C 130 60.522 60.522 63.239 -2.717 25852 1997 1 3 . 1 1 130 130 ILE CB C 130 36.090 36.090 38.426 -2.336 25852 1998 1 3 . 1 1 130 130 ILE H H 130 8.148 8.148 8.455 -0.307 25852 1999 1 3 . 1 1 131 131 ASP N N 131 116.409 116.409 120.989 -4.580 25852 2000 1 3 . 1 1 131 131 ASP HA H 131 4.376 4.376 4.620 -0.244 25852 2001 1 3 . 1 1 131 131 ASP CA C 131 51.187 51.187 54.796 -3.609 25852 2002 1 3 . 1 1 131 131 ASP CB C 131 37.468 37.468 41.519 -4.051 25852 2003 1 3 . 1 1 131 131 ASP H H 131 8.288 8.288 8.339 -0.051 25852 2004 1 3 . 1 1 132 132 GLY N N 132 108.363 108.363 108.899 -0.536 25852 2005 1 3 . 1 1 132 132 GLY CA C 132 44.638 44.638 45.270 -0.632 25852 2006 1 3 . 1 1 132 132 GLY H H 132 7.630 7.630 8.088 -0.458 25852 2007 1 3 . 1 1 133 133 ASP N N 133 120.183 120.183 120.469 -0.286 25852 2008 1 3 . 1 1 133 133 ASP HA H 133 4.329 4.329 4.646 -0.317 25852 2009 1 3 . 1 1 133 133 ASP CA C 133 50.942 50.942 54.761 -3.819 25852 2010 1 3 . 1 1 133 133 ASP CB C 133 37.458 37.458 42.003 -4.545 25852 2011 1 3 . 1 1 133 133 ASP H H 133 8.298 8.298 8.687 -0.389 25852 2012 1 3 . 1 1 134 134 GLY N N 134 112.149 112.149 109.330 2.819 25852 2013 1 3 . 1 1 134 134 GLY CA C 134 43.122 43.122 45.092 -1.970 25852 2014 1 3 . 1 1 134 134 GLY H H 134 10.079 10.079 8.432 1.647 25852 2015 1 3 . 1 1 135 135 GLN N N 135 115.069 115.069 118.002 -2.933 25852 2016 1 3 . 1 1 135 135 GLN HA H 135 4.844 4.844 4.553 0.291 25852 2017 1 3 . 1 1 135 135 GLN CA C 135 50.454 50.454 54.497 -4.043 25852 2018 1 3 . 1 1 135 135 GLN CB C 135 30.614 30.614 30.796 -0.182 25852 2019 1 3 . 1 1 135 135 GLN H H 135 7.922 7.922 7.792 0.130 25852 2020 1 3 . 1 1 136 136 VAL N N 136 125.107 125.107 126.720 -1.613 25852 2021 1 3 . 1 1 136 136 VAL HA H 136 5.096 5.096 4.197 0.899 25852 2022 1 3 . 1 1 136 136 VAL CA C 136 58.713 58.713 62.803 -4.090 25852 2023 1 3 . 1 1 136 136 VAL CB C 136 31.416 31.416 32.704 -1.288 25852 2024 1 3 . 1 1 136 136 VAL H H 136 9.046 9.046 7.892 1.154 25852 2025 1 3 . 1 1 137 137 ASN N N 137 128.858 128.858 124.011 4.847 25852 2026 1 3 . 1 1 137 137 ASN HA H 137 5.226 5.226 4.959 0.267 25852 2027 1 3 . 1 1 137 137 ASN CA C 137 48.352 48.352 53.435 -5.083 25852 2028 1 3 . 1 1 137 137 ASN CB C 137 35.640 35.640 40.146 -4.506 25852 2029 1 3 . 1 1 137 137 ASN H H 137 9.458 9.458 8.494 0.964 25852 2030 1 3 . 1 1 138 138 TYR N N 138 118.481 118.481 119.948 -1.467 25852 2031 1 3 . 1 1 138 138 TYR HA H 138 3.603 3.603 4.358 -0.755 25852 2032 1 3 . 1 1 138 138 TYR CA C 138 59.669 59.669 61.901 -2.232 25852 2033 1 3 . 1 1 138 138 TYR CB C 138 37.572 37.572 37.815 -0.243 25852 2034 1 3 . 1 1 138 138 TYR H H 138 8.235 8.235 9.241 -1.006 25852 2035 1 3 . 1 1 139 139 GLU N N 139 118.474 118.474 118.507 -0.033 25852 2036 1 3 . 1 1 139 139 GLU HA H 139 3.868 3.868 4.104 -0.236 25852 2037 1 3 . 1 1 139 139 GLU CA C 139 57.540 57.540 59.696 -2.156 25852 2038 1 3 . 1 1 139 139 GLU CB C 139 26.274 26.274 28.970 -2.696 25852 2039 1 3 . 1 1 139 139 GLU H H 139 8.067 8.067 8.986 -0.919 25852 2040 1 3 . 1 1 140 140 GLU N N 140 119.279 119.279 118.288 0.991 25852 2041 1 3 . 1 1 140 140 GLU HA H 140 3.880 3.880 4.275 -0.395 25852 2042 1 3 . 1 1 140 140 GLU CA C 140 56.025 56.025 58.299 -2.274 25852 2043 1 3 . 1 1 140 140 GLU CB C 140 26.274 26.274 29.101 -2.827 25852 2044 1 3 . 1 1 140 140 GLU H H 140 8.742 8.742 8.737 0.005 25852 2045 1 3 . 1 1 141 141 PHE N N 141 124.141 124.141 120.181 3.960 25852 2046 1 3 . 1 1 141 141 PHE HA H 141 3.602 3.602 4.209 -0.607 25852 2047 1 3 . 1 1 141 141 PHE CA C 141 59.447 59.447 60.527 -1.080 25852 2048 1 3 . 1 1 141 141 PHE CB C 141 37.686 37.686 39.305 -1.619 25852 2049 1 3 . 1 1 141 141 PHE H H 141 8.593 8.593 7.628 0.965 25852 2050 1 3 . 1 1 142 142 VAL N N 142 118.383 118.383 117.255 1.128 25852 2051 1 3 . 1 1 142 142 VAL HA H 142 2.986 2.986 3.668 -0.682 25852 2052 1 3 . 1 1 142 142 VAL CA C 142 64.432 64.432 65.421 -0.990 25852 2053 1 3 . 1 1 142 142 VAL CB C 142 28.908 28.908 32.062 -3.154 25852 2054 1 3 . 1 1 142 142 VAL H H 142 8.776 8.776 8.204 0.572 25852 2055 1 3 . 1 1 143 143 GLN N N 143 119.891 119.891 119.665 0.226 25852 2056 1 3 . 1 1 143 143 GLN HA H 143 3.671 3.671 4.005 -0.334 25852 2057 1 3 . 1 1 143 143 GLN CA C 143 56.514 56.514 58.706 -2.192 25852 2058 1 3 . 1 1 143 143 GLN CB C 143 25.246 25.246 28.572 -3.326 25852 2059 1 3 . 1 1 143 143 GLN H H 143 7.787 7.787 7.785 0.002 25852 2060 1 3 . 1 1 144 144 MET N N 144 118.429 118.429 116.498 1.931 25852 2061 1 3 . 1 1 144 144 MET HA H 144 3.892 3.892 4.284 -0.392 25852 2062 1 3 . 1 1 144 144 MET CA C 144 55.683 55.683 56.032 -0.349 25852 2063 1 3 . 1 1 144 144 MET CB C 144 28.110 28.110 31.552 -3.442 25852 2064 1 3 . 1 1 144 144 MET H H 144 7.450 7.450 7.560 -0.110 25852 2065 1 3 . 1 1 145 145 MET N N 145 114.145 114.145 116.576 -2.431 25852 2066 1 3 . 1 1 145 145 MET HA H 145 3.905 3.905 4.206 -0.301 25852 2067 1 3 . 1 1 145 145 MET CA C 145 53.630 53.630 58.028 -4.398 25852 2068 1 3 . 1 1 145 145 MET CB C 145 29.592 29.592 32.615 -3.023 25852 2069 1 3 . 1 1 145 145 MET H H 145 7.724 7.724 7.732 -0.008 25852 2070 1 3 . 1 1 146 146 THR N N 146 108.482 108.482 113.763 -5.281 25852 2071 1 3 . 1 1 146 146 THR HA H 146 4.170 4.170 4.335 -0.165 25852 2072 1 3 . 1 1 146 146 THR CA C 146 59.251 59.251 62.379 -3.128 25852 2073 1 3 . 1 1 146 146 THR CB C 146 67.896 67.896 69.616 -1.720 25852 2074 1 3 . 1 1 146 146 THR H H 146 7.700 7.700 7.047 0.653 25852 2075 1 3 . 1 1 147 147 ALA N N 147 126.469 126.469 125.305 1.164 25852 2076 1 3 . 1 1 147 147 ALA HA H 147 4.095 4.095 3.785 0.310 25852 2077 1 3 . 1 1 147 147 ALA CA C 147 50.307 50.307 54.444 -4.137 25852 2078 1 3 . 1 1 147 147 ALA CB C 147 16.336 16.336 18.360 -2.024 25852 2079 1 3 . 1 1 147 147 ALA H H 147 7.291 7.291 8.727 -1.436 25852 2080 1 4 . 1 1 3 3 GLN N N 3 118.120 118.120 123.934 -5.814 25852 2081 1 4 . 1 1 3 3 GLN HA H 3 4.688 4.688 4.234 0.454 25852 2082 1 4 . 1 1 3 3 GLN CA C 3 53.500 53.500 57.331 -3.831 25852 2083 1 4 . 1 1 3 3 GLN CB C 3 29.475 29.475 29.435 0.040 25852 2084 1 4 . 1 1 3 3 GLN H H 3 8.134 8.134 8.796 -0.662 25852 2085 1 4 . 1 1 4 4 LEU N N 4 121.407 121.407 117.382 4.025 25852 2086 1 4 . 1 1 4 4 LEU HA H 4 4.460 4.460 4.672 -0.212 25852 2087 1 4 . 1 1 4 4 LEU CA C 4 51.650 51.650 53.912 -2.262 25852 2088 1 4 . 1 1 4 4 LEU CB C 4 40.715 40.715 42.311 -1.596 25852 2089 1 4 . 1 1 4 4 LEU H H 4 8.202 8.202 7.804 0.398 25852 2090 1 4 . 1 1 5 5 THR N N 5 112.733 112.733 110.058 2.675 25852 2091 1 4 . 1 1 5 5 THR HA H 5 4.265 4.265 4.511 -0.246 25852 2092 1 4 . 1 1 5 5 THR CA C 5 59.433 59.433 60.247 -0.814 25852 2093 1 4 . 1 1 5 5 THR CB C 5 67.475 67.475 69.950 -2.475 25852 2094 1 4 . 1 1 5 5 THR H H 5 8.691 8.691 7.790 0.901 25852 2095 1 4 . 1 1 6 6 GLU N N 6 119.971 119.971 120.149 -0.178 25852 2096 1 4 . 1 1 6 6 GLU HA H 6 3.854 3.854 4.001 -0.147 25852 2097 1 4 . 1 1 6 6 GLU CA C 6 56.756 56.756 60.040 -3.284 25852 2098 1 4 . 1 1 6 6 GLU CB C 6 26.508 26.508 29.133 -2.625 25852 2099 1 4 . 1 1 6 6 GLU H H 6 8.953 8.953 8.916 0.037 25852 2100 1 4 . 1 1 7 7 GLU N N 7 119.133 119.133 118.444 0.689 25852 2101 1 4 . 1 1 7 7 GLU HA H 7 3.898 3.898 3.944 -0.046 25852 2102 1 4 . 1 1 7 7 GLU CA C 7 56.756 56.756 58.954 -2.198 25852 2103 1 4 . 1 1 7 7 GLU CB C 7 26.279 26.279 28.827 -2.548 25852 2104 1 4 . 1 1 7 7 GLU H H 7 8.653 8.653 8.407 0.246 25852 2105 1 4 . 1 1 8 8 GLN N N 8 120.207 120.207 119.322 0.885 25852 2106 1 4 . 1 1 8 8 GLN HA H 8 3.957 3.957 4.198 -0.241 25852 2107 1 4 . 1 1 8 8 GLN CA C 8 57.099 57.099 58.675 -1.575 25852 2108 1 4 . 1 1 8 8 GLN CB C 8 26.737 26.737 28.560 -1.823 25852 2109 1 4 . 1 1 8 8 GLN H H 8 7.645 7.645 7.698 -0.053 25852 2110 1 4 . 1 1 9 9 ILE N N 9 118.171 118.171 120.264 -2.093 25852 2111 1 4 . 1 1 9 9 ILE HA H 9 3.354 3.354 4.149 -0.795 25852 2112 1 4 . 1 1 9 9 ILE CA C 9 62.714 62.714 65.119 -2.405 25852 2113 1 4 . 1 1 9 9 ILE CB C 9 35.216 35.216 38.068 -2.852 25852 2114 1 4 . 1 1 9 9 ILE H H 9 8.153 8.153 7.443 0.710 25852 2115 1 4 . 1 1 10 10 ALA N N 10 120.124 120.124 120.829 -0.705 25852 2116 1 4 . 1 1 10 10 ALA HA H 10 3.966 3.966 4.215 -0.249 25852 2117 1 4 . 1 1 10 10 ALA CA C 10 52.746 52.746 54.597 -1.851 25852 2118 1 4 . 1 1 10 10 ALA CB C 10 15.165 15.165 18.997 -3.832 25852 2119 1 4 . 1 1 10 10 ALA H H 10 7.835 7.835 8.236 -0.401 25852 2120 1 4 . 1 1 11 11 GLU N N 11 119.983 119.983 115.847 4.136 25852 2121 1 4 . 1 1 11 11 GLU HA H 11 3.904 3.904 4.864 -0.960 25852 2122 1 4 . 1 1 11 11 GLU CA C 11 56.560 56.560 56.855 -0.295 25852 2123 1 4 . 1 1 11 11 GLU CB C 11 27.425 27.425 31.690 -4.265 25852 2124 1 4 . 1 1 11 11 GLU H H 11 7.706 7.706 7.860 -0.154 25852 2125 1 4 . 1 1 12 12 PHE N N 12 119.907 119.907 121.217 -1.310 25852 2126 1 4 . 1 1 12 12 PHE HA H 12 4.726 4.726 4.708 0.018 25852 2127 1 4 . 1 1 12 12 PHE CA C 12 55.839 55.839 60.974 -5.136 25852 2128 1 4 . 1 1 12 12 PHE CB C 12 33.955 33.955 39.187 -5.232 25852 2129 1 4 . 1 1 12 12 PHE H H 12 8.728 8.728 8.714 0.014 25852 2130 1 4 . 1 1 13 13 LYS N N 13 121.208 121.208 120.130 1.078 25852 2131 1 4 . 1 1 13 13 LYS HA H 13 3.904 3.904 3.433 0.471 25852 2132 1 4 . 1 1 13 13 LYS CA C 13 57.290 57.290 58.374 -1.084 25852 2133 1 4 . 1 1 13 13 LYS CB C 13 30.174 30.174 32.192 -2.018 25852 2134 1 4 . 1 1 13 13 LYS H H 13 9.161 9.161 7.998 1.163 25852 2135 1 4 . 1 1 14 14 GLU N N 14 120.226 120.226 120.594 -0.368 25852 2136 1 4 . 1 1 14 14 GLU HA H 14 3.953 3.953 4.215 -0.262 25852 2137 1 4 . 1 1 14 14 GLU CA C 14 56.460 56.460 58.667 -2.207 25852 2138 1 4 . 1 1 14 14 GLU CB C 14 26.623 26.623 29.466 -2.844 25852 2139 1 4 . 1 1 14 14 GLU H H 14 7.980 7.980 8.075 -0.095 25852 2140 1 4 . 1 1 15 15 ALA N N 15 120.572 120.572 121.986 -1.414 25852 2141 1 4 . 1 1 15 15 ALA HA H 15 4.170 4.170 4.225 -0.055 25852 2142 1 4 . 1 1 15 15 ALA CA C 15 52.750 52.750 54.777 -2.027 25852 2143 1 4 . 1 1 15 15 ALA CB C 15 16.425 16.425 18.570 -2.145 25852 2144 1 4 . 1 1 15 15 ALA H H 15 7.563 7.563 8.557 -0.994 25852 2145 1 4 . 1 1 16 16 PHE N N 16 117.784 117.784 116.858 0.926 25852 2146 1 4 . 1 1 16 16 PHE HA H 16 3.904 3.904 4.629 -0.725 25852 2147 1 4 . 1 1 16 16 PHE CA C 16 59.540 59.540 60.023 -0.483 25852 2148 1 4 . 1 1 16 16 PHE CB C 16 36.820 36.820 40.542 -3.722 25852 2149 1 4 . 1 1 16 16 PHE H H 16 8.453 8.453 8.085 0.368 25852 2150 1 4 . 1 1 17 17 SER N N 17 110.774 110.774 116.021 -5.247 25852 2151 1 4 . 1 1 17 17 SER HA H 17 4.086 4.086 4.496 -0.410 25852 2152 1 4 . 1 1 17 17 SER CA C 17 58.560 58.560 60.964 -2.404 25852 2153 1 4 . 1 1 17 17 SER CB C 17 60.651 60.651 63.510 -2.859 25852 2154 1 4 . 1 1 17 17 SER H H 17 8.351 8.351 8.130 0.221 25852 2155 1 4 . 1 1 18 18 LEU N N 18 120.947 120.947 121.876 -0.929 25852 2156 1 4 . 1 1 18 18 LEU HA H 18 3.614 3.614 4.105 -0.491 25852 2157 1 4 . 1 1 18 18 LEU CA C 18 55.839 55.839 58.476 -2.637 25852 2158 1 4 . 1 1 18 18 LEU CB C 18 39.111 39.111 42.655 -3.544 25852 2159 1 4 . 1 1 18 18 LEU H H 18 7.278 7.278 8.543 -1.265 25852 2160 1 4 . 1 1 19 19 PHE N N 19 114.458 114.458 113.819 0.639 25852 2161 1 4 . 1 1 19 19 PHE HA H 19 3.904 3.904 4.531 -0.627 25852 2162 1 4 . 1 1 19 19 PHE CA C 19 56.870 56.870 57.970 -1.100 25852 2163 1 4 . 1 1 19 19 PHE CB C 19 33.841 33.841 41.719 -7.878 25852 2164 1 4 . 1 1 19 19 PHE H H 19 7.304 7.304 7.596 -0.292 25852 2165 1 4 . 1 1 20 20 ASP N N 20 122.233 122.233 122.463 -0.230 25852 2166 1 4 . 1 1 20 20 ASP HA H 20 4.874 4.874 4.811 0.063 25852 2167 1 4 . 1 1 20 20 ASP CA C 20 50.454 50.454 53.865 -3.411 25852 2168 1 4 . 1 1 20 20 ASP CB C 20 37.622 37.622 39.536 -1.914 25852 2169 1 4 . 1 1 20 20 ASP H H 20 7.233 7.233 8.225 -0.992 25852 2170 1 4 . 1 1 21 21 LYS N N 21 123.433 123.433 122.025 1.408 25852 2171 1 4 . 1 1 21 21 LYS HA H 21 3.771 3.771 4.261 -0.490 25852 2172 1 4 . 1 1 21 21 LYS CA C 21 56.025 56.025 57.910 -1.885 25852 2173 1 4 . 1 1 21 21 LYS CB C 21 29.601 29.601 32.561 -2.960 25852 2174 1 4 . 1 1 21 21 LYS H H 21 8.007 8.007 7.874 0.133 25852 2175 1 4 . 1 1 22 22 ASP N N 22 116.890 116.890 119.178 -2.288 25852 2176 1 4 . 1 1 22 22 ASP HA H 22 4.400 4.400 4.588 -0.188 25852 2177 1 4 . 1 1 22 22 ASP CA C 22 50.683 50.683 54.729 -4.046 25852 2178 1 4 . 1 1 22 22 ASP CB C 22 37.049 37.049 41.099 -4.050 25852 2179 1 4 . 1 1 22 22 ASP H H 22 8.641 8.641 8.322 0.319 25852 2180 1 4 . 1 1 23 23 GLY N N 23 110.068 110.068 108.068 2.000 25852 2181 1 4 . 1 1 23 23 GLY CA C 23 43.745 43.745 45.263 -1.518 25852 2182 1 4 . 1 1 23 23 GLY H H 23 7.938 7.938 8.210 -0.272 25852 2183 1 4 . 1 1 24 24 ASP N N 24 120.219 120.219 119.690 0.529 25852 2184 1 4 . 1 1 24 24 ASP HA H 24 4.367 4.367 4.717 -0.350 25852 2185 1 4 . 1 1 24 24 ASP CA C 24 51.040 51.040 53.735 -2.695 25852 2186 1 4 . 1 1 24 24 ASP CB C 24 37.438 37.438 40.868 -3.430 25852 2187 1 4 . 1 1 24 24 ASP H H 24 8.723 8.723 7.905 0.818 25852 2188 1 4 . 1 1 25 25 GLY N N 25 111.889 111.889 108.491 3.398 25852 2189 1 4 . 1 1 25 25 GLY CA C 25 42.680 42.680 46.196 -3.516 25852 2190 1 4 . 1 1 25 25 GLY H H 25 10.132 10.132 8.336 1.796 25852 2191 1 4 . 1 1 26 26 THR N N 26 109.844 109.844 116.903 -7.059 25852 2192 1 4 . 1 1 26 26 THR HA H 26 5.386 5.386 4.718 0.668 25852 2193 1 4 . 1 1 26 26 THR CA C 26 56.950 56.950 60.535 -3.585 25852 2194 1 4 . 1 1 26 26 THR CB C 26 70.234 70.234 70.867 -0.633 25852 2195 1 4 . 1 1 26 26 THR H H 26 7.507 7.507 8.040 -0.533 25852 2196 1 4 . 1 1 27 27 ILE N N 27 110.289 110.289 115.711 -5.422 25852 2197 1 4 . 1 1 27 27 ILE HA H 27 3.891 3.891 4.584 -0.693 25852 2198 1 4 . 1 1 27 27 ILE CA C 27 58.360 58.360 58.596 -0.236 25852 2199 1 4 . 1 1 27 27 ILE CB C 27 35.559 35.559 41.473 -5.914 25852 2200 1 4 . 1 1 27 27 ILE H H 27 8.191 8.191 7.673 0.518 25852 2201 1 4 . 1 1 28 28 THR N N 28 110.507 110.507 113.853 -3.346 25852 2202 1 4 . 1 1 28 28 THR HA H 28 4.895 4.895 4.170 0.725 25852 2203 1 4 . 1 1 28 28 THR CA C 28 57.787 57.787 62.453 -4.665 25852 2204 1 4 . 1 1 28 28 THR CB C 28 68.099 68.099 69.307 -1.208 25852 2205 1 4 . 1 1 28 28 THR H H 28 8.265 8.265 8.241 0.024 25852 2206 1 4 . 1 1 29 29 THR N N 29 112.331 112.331 116.348 -4.017 25852 2207 1 4 . 1 1 29 29 THR HA H 29 3.941 3.941 3.905 0.036 25852 2208 1 4 . 1 1 29 29 THR CA C 29 63.840 63.840 65.850 -2.010 25852 2209 1 4 . 1 1 29 29 THR CB C 29 65.807 65.807 68.652 -2.845 25852 2210 1 4 . 1 1 29 29 THR H H 29 8.225 8.225 8.158 0.067 25852 2211 1 4 . 1 1 30 30 LYS N N 30 118.985 118.985 119.922 -0.937 25852 2212 1 4 . 1 1 30 30 LYS HA H 30 3.965 3.965 4.003 -0.038 25852 2213 1 4 . 1 1 30 30 LYS CA C 30 55.839 55.839 58.568 -2.729 25852 2214 1 4 . 1 1 30 30 LYS CB C 30 29.372 29.372 31.960 -2.588 25852 2215 1 4 . 1 1 30 30 LYS H H 30 7.559 7.559 8.623 -1.064 25852 2216 1 4 . 1 1 31 31 GLU N N 31 117.233 117.233 114.997 2.236 25852 2217 1 4 . 1 1 31 31 GLU HA H 31 3.965 3.965 4.168 -0.203 25852 2218 1 4 . 1 1 31 31 GLU CA C 31 57.140 57.140 56.461 0.679 25852 2219 1 4 . 1 1 31 31 GLU CB C 31 26.393 26.393 30.244 -3.850 25852 2220 1 4 . 1 1 31 31 GLU H H 31 7.431 7.431 7.375 0.056 25852 2221 1 4 . 1 1 32 32 LEU N N 32 120.701 120.701 122.790 -2.089 25852 2222 1 4 . 1 1 32 32 LEU HA H 32 3.880 3.880 3.843 0.037 25852 2223 1 4 . 1 1 32 32 LEU CA C 32 55.520 55.520 57.707 -2.187 25852 2224 1 4 . 1 1 32 32 LEU CB C 32 39.226 39.226 41.312 -2.086 25852 2225 1 4 . 1 1 32 32 LEU H H 32 7.270 7.270 7.720 -0.450 25852 2226 1 4 . 1 1 33 33 GLY N N 33 105.217 105.217 105.483 -0.266 25852 2227 1 4 . 1 1 33 33 GLY CA C 33 45.642 45.642 47.648 -2.006 25852 2228 1 4 . 1 1 33 33 GLY H H 33 8.737 8.737 8.106 0.631 25852 2229 1 4 . 1 1 34 34 THR N N 34 118.196 118.196 118.297 -0.101 25852 2230 1 4 . 1 1 34 34 THR HA H 34 3.916 3.916 4.092 -0.176 25852 2231 1 4 . 1 1 34 34 THR CA C 34 63.859 63.859 66.624 -2.764 25852 2232 1 4 . 1 1 34 34 THR CB C 34 65.807 65.807 68.538 -2.731 25852 2233 1 4 . 1 1 34 34 THR H H 34 7.446 7.446 7.352 0.094 25852 2234 1 4 . 1 1 35 35 VAL N N 35 122.546 122.546 120.902 1.644 25852 2235 1 4 . 1 1 35 35 VAL HA H 35 3.373 3.373 3.961 -0.588 25852 2236 1 4 . 1 1 35 35 VAL CA C 35 64.088 64.088 64.780 -0.692 25852 2237 1 4 . 1 1 35 35 VAL CB C 35 28.799 28.799 30.300 -1.501 25852 2238 1 4 . 1 1 35 35 VAL H H 35 7.889 7.889 7.457 0.432 25852 2239 1 4 . 1 1 36 36 MET N N 36 118.307 118.307 117.699 0.608 25852 2240 1 4 . 1 1 36 36 MET HA H 36 3.880 3.880 4.241 -0.361 25852 2241 1 4 . 1 1 36 36 MET CA C 36 56.870 56.870 57.541 -0.672 25852 2242 1 4 . 1 1 36 36 MET CB C 36 26.279 26.279 32.342 -6.063 25852 2243 1 4 . 1 1 36 36 MET H H 36 8.386 8.386 8.078 0.308 25852 2244 1 4 . 1 1 37 37 ARG N N 37 119.233 119.233 119.500 -0.267 25852 2245 1 4 . 1 1 37 37 ARG HA H 37 3.904 3.904 4.464 -0.560 25852 2246 1 4 . 1 1 37 37 ARG CA C 37 56.170 56.170 58.760 -2.590 25852 2247 1 4 . 1 1 37 37 ARG CB C 37 27.310 27.310 30.264 -2.954 25852 2248 1 4 . 1 1 37 37 ARG H H 37 8.451 8.451 8.327 0.124 25852 2249 1 4 . 1 1 38 38 SER N N 38 118.720 118.720 116.918 1.802 25852 2250 1 4 . 1 1 38 38 SER HA H 38 4.176 4.176 4.304 -0.128 25852 2251 1 4 . 1 1 38 38 SER CA C 38 59.250 59.250 61.190 -1.940 25852 2252 1 4 . 1 1 38 38 SER CB C 38 67.411 67.411 62.946 4.465 25852 2253 1 4 . 1 1 38 38 SER H H 38 8.040 8.040 8.249 -0.209 25852 2254 1 4 . 1 1 39 39 LEU N N 39 120.896 120.896 120.154 0.742 25852 2255 1 4 . 1 1 39 39 LEU HA H 39 4.460 4.460 4.413 0.047 25852 2256 1 4 . 1 1 39 39 LEU CA C 39 51.330 51.330 55.209 -3.880 25852 2257 1 4 . 1 1 39 39 LEU CB C 39 40.257 40.257 42.211 -1.954 25852 2258 1 4 . 1 1 39 39 LEU H H 39 7.263 7.263 7.348 -0.085 25852 2259 1 4 . 1 1 40 40 GLY N N 40 106.917 106.917 106.469 0.448 25852 2260 1 4 . 1 1 40 40 GLY CA C 40 42.880 42.880 44.660 -1.780 25852 2261 1 4 . 1 1 40 40 GLY H H 40 7.841 7.841 7.931 -0.090 25852 2262 1 4 . 1 1 41 41 GLN N N 41 117.171 117.171 119.676 -2.505 25852 2263 1 4 . 1 1 41 41 GLN HA H 41 4.243 4.243 4.362 -0.119 25852 2264 1 4 . 1 1 41 41 GLN CA C 41 52.631 52.631 55.252 -2.621 25852 2265 1 4 . 1 1 41 41 GLN CB C 41 30.747 30.747 29.841 0.906 25852 2266 1 4 . 1 1 41 41 GLN H H 41 7.687 7.687 7.554 0.133 25852 2267 1 4 . 1 1 42 42 ASN N N 42 116.423 116.423 121.415 -4.992 25852 2268 1 4 . 1 1 42 42 ASN HA H 42 5.016 5.016 5.039 -0.023 25852 2269 1 4 . 1 1 42 42 ASN CA C 42 48.640 48.640 50.597 -1.957 25852 2270 1 4 . 1 1 42 42 ASN CB C 42 36.591 36.591 39.004 -2.413 25852 2271 1 4 . 1 1 42 42 ASN H H 42 8.601 8.601 8.803 -0.202 25852 2272 1 4 . 1 1 44 44 THR N N 44 113.033 113.033 114.835 -1.802 25852 2273 1 4 . 1 1 44 44 THR HA H 44 4.279 4.279 4.514 -0.235 25852 2274 1 4 . 1 1 44 44 THR CA C 44 57.640 57.640 61.197 -3.557 25852 2275 1 4 . 1 1 44 44 THR CB C 44 68.328 68.328 71.277 -2.949 25852 2276 1 4 . 1 1 44 44 THR H H 44 8.711 8.711 8.124 0.587 25852 2277 1 4 . 1 1 45 45 GLU N N 45 120.233 120.233 121.879 -1.646 25852 2278 1 4 . 1 1 45 45 GLU HA H 45 3.892 3.892 4.201 -0.309 25852 2279 1 4 . 1 1 45 45 GLU CA C 45 56.756 56.756 58.516 -1.760 25852 2280 1 4 . 1 1 45 45 GLU CB C 45 26.393 26.393 29.480 -3.087 25852 2281 1 4 . 1 1 45 45 GLU H H 45 8.781 8.781 8.864 -0.083 25852 2282 1 4 . 1 1 46 46 ALA N N 46 120.833 120.833 122.746 -1.913 25852 2283 1 4 . 1 1 46 46 ALA HA H 46 3.868 3.868 4.210 -0.342 25852 2284 1 4 . 1 1 46 46 ALA CA C 46 52.310 52.310 54.704 -2.394 25852 2285 1 4 . 1 1 46 46 ALA CB C 46 15.394 15.394 18.232 -2.838 25852 2286 1 4 . 1 1 46 46 ALA H H 46 8.251 8.251 8.018 0.233 25852 2287 1 4 . 1 1 47 47 GLU N N 47 118.672 118.672 118.233 0.439 25852 2288 1 4 . 1 1 47 47 GLU HA H 47 3.965 3.965 4.505 -0.540 25852 2289 1 4 . 1 1 47 47 GLU CA C 47 56.641 56.641 58.761 -2.119 25852 2290 1 4 . 1 1 47 47 GLU CB C 47 26.623 26.623 29.217 -2.594 25852 2291 1 4 . 1 1 47 47 GLU H H 47 7.668 7.668 8.606 -0.938 25852 2292 1 4 . 1 1 48 48 LEU N N 48 119.645 119.645 119.673 -0.028 25852 2293 1 4 . 1 1 48 48 LEU HA H 48 3.892 3.892 4.102 -0.210 25852 2294 1 4 . 1 1 48 48 LEU CA C 48 55.610 55.610 57.829 -2.219 25852 2295 1 4 . 1 1 48 48 LEU CB C 48 39.340 39.340 41.370 -2.030 25852 2296 1 4 . 1 1 48 48 LEU H H 48 8.244 8.244 7.649 0.595 25852 2297 1 4 . 1 1 49 49 GLN N N 49 117.446 117.446 117.119 0.327 25852 2298 1 4 . 1 1 49 49 GLN HA H 49 3.892 3.892 4.188 -0.296 25852 2299 1 4 . 1 1 49 49 GLN CA C 49 56.756 56.756 58.040 -1.284 25852 2300 1 4 . 1 1 49 49 GLN CB C 49 26.508 26.508 28.681 -2.174 25852 2301 1 4 . 1 1 49 49 GLN H H 49 7.980 7.980 7.696 0.284 25852 2302 1 4 . 1 1 50 50 ASP N N 50 118.733 118.733 120.766 -2.033 25852 2303 1 4 . 1 1 50 50 ASP HA H 50 4.267 4.267 4.561 -0.294 25852 2304 1 4 . 1 1 50 50 ASP CA C 50 54.700 54.700 57.069 -2.369 25852 2305 1 4 . 1 1 50 50 ASP CB C 50 37.622 37.622 41.162 -3.540 25852 2306 1 4 . 1 1 50 50 ASP H H 50 7.761 7.761 7.692 0.069 25852 2307 1 4 . 1 1 51 51 MET N N 51 118.996 118.996 119.861 -0.865 25852 2308 1 4 . 1 1 51 51 MET HA H 51 3.892 3.892 4.788 -0.896 25852 2309 1 4 . 1 1 51 51 MET CA C 51 56.560 56.560 58.263 -1.703 25852 2310 1 4 . 1 1 51 51 MET CB C 51 29.601 29.601 33.506 -3.905 25852 2311 1 4 . 1 1 51 51 MET H H 51 7.900 7.900 8.216 -0.316 25852 2312 1 4 . 1 1 52 52 ILE N N 52 118.833 118.833 119.676 -0.843 25852 2313 1 4 . 1 1 52 52 ILE HA H 52 3.348 3.348 3.734 -0.386 25852 2314 1 4 . 1 1 52 52 ILE CA C 52 62.484 62.484 64.750 -2.266 25852 2315 1 4 . 1 1 52 52 ILE CB C 52 35.330 35.330 37.644 -2.313 25852 2316 1 4 . 1 1 52 52 ILE H H 52 8.261 8.261 7.925 0.336 25852 2317 1 4 . 1 1 53 53 ASN N N 53 117.296 117.296 117.281 0.015 25852 2318 1 4 . 1 1 53 53 ASN HA H 53 4.243 4.243 4.428 -0.185 25852 2319 1 4 . 1 1 53 53 ASN CA C 53 53.090 53.090 56.252 -3.162 25852 2320 1 4 . 1 1 53 53 ASN CB C 53 35.330 35.330 38.675 -3.345 25852 2321 1 4 . 1 1 53 53 ASN H H 53 8.186 8.186 7.753 0.433 25852 2322 1 4 . 1 1 54 54 GLU N N 54 117.133 117.133 117.371 -0.238 25852 2323 1 4 . 1 1 54 54 GLU HA H 54 3.965 3.965 4.208 -0.243 25852 2324 1 4 . 1 1 54 54 GLU CA C 54 56.412 56.412 58.121 -1.709 25852 2325 1 4 . 1 1 54 54 GLU CB C 54 26.508 26.508 30.100 -3.592 25852 2326 1 4 . 1 1 54 54 GLU H H 54 7.501 7.501 7.520 -0.019 25852 2327 1 4 . 1 1 55 55 VAL N N 55 112.928 112.928 120.581 -7.653 25852 2328 1 4 . 1 1 55 55 VAL HA H 55 4.194 4.194 3.813 0.381 25852 2329 1 4 . 1 1 55 55 VAL CA C 55 59.505 59.505 66.653 -7.148 25852 2330 1 4 . 1 1 55 55 VAL CB C 55 30.174 30.174 32.181 -2.007 25852 2331 1 4 . 1 1 55 55 VAL H H 55 7.575 7.575 8.293 -0.718 25852 2332 1 4 . 1 1 56 56 ASP N N 56 121.771 121.771 120.024 1.747 25852 2333 1 4 . 1 1 56 56 ASP HA H 56 4.388 4.388 4.502 -0.114 25852 2334 1 4 . 1 1 56 56 ASP CA C 56 50.990 50.990 54.208 -3.218 25852 2335 1 4 . 1 1 56 56 ASP CB C 56 36.820 36.820 39.816 -2.996 25852 2336 1 4 . 1 1 56 56 ASP H H 56 8.401 8.401 8.147 0.254 25852 2337 1 4 . 1 1 57 57 ALA N N 57 124.771 124.771 121.138 3.633 25852 2338 1 4 . 1 1 57 57 ALA HA H 57 4.001 4.001 4.279 -0.278 25852 2339 1 4 . 1 1 57 57 ALA CA C 57 52.402 52.402 53.452 -1.050 25852 2340 1 4 . 1 1 57 57 ALA CB C 57 15.280 15.280 19.240 -3.960 25852 2341 1 4 . 1 1 57 57 ALA H H 57 8.097 8.097 8.081 0.016 25852 2342 1 4 . 1 1 58 58 ASP N N 58 114.518 114.518 119.061 -4.543 25852 2343 1 4 . 1 1 58 58 ASP HA H 58 4.400 4.400 4.660 -0.260 25852 2344 1 4 . 1 1 58 58 ASP CA C 58 50.798 50.798 54.243 -3.445 25852 2345 1 4 . 1 1 58 58 ASP CB C 58 36.934 36.934 41.986 -5.052 25852 2346 1 4 . 1 1 58 58 ASP H H 58 8.376 8.376 7.806 0.570 25852 2347 1 4 . 1 1 59 59 GLY N N 59 108.798 108.798 108.268 0.530 25852 2348 1 4 . 1 1 59 59 GLY CA C 59 44.490 44.490 45.566 -1.076 25852 2349 1 4 . 1 1 59 59 GLY H H 59 7.827 7.827 8.649 -0.822 25852 2350 1 4 . 1 1 60 60 ASN N N 60 119.696 119.696 118.341 1.355 25852 2351 1 4 . 1 1 60 60 ASN HA H 60 4.688 4.688 4.696 -0.008 25852 2352 1 4 . 1 1 60 60 ASN CA C 60 51.943 51.943 52.908 -0.965 25852 2353 1 4 . 1 1 60 60 ASN CB C 60 38.424 38.424 39.248 -0.824 25852 2354 1 4 . 1 1 60 60 ASN H H 60 9.253 9.253 8.098 1.155 25852 2355 1 4 . 1 1 61 61 GLY N N 61 110.108 110.108 109.766 0.342 25852 2356 1 4 . 1 1 61 61 GLY CA C 61 42.870 42.870 46.157 -3.287 25852 2357 1 4 . 1 1 61 61 GLY H H 61 10.004 10.004 8.346 1.658 25852 2358 1 4 . 1 1 62 62 THR N N 62 110.533 110.533 112.302 -1.769 25852 2359 1 4 . 1 1 62 62 THR HA H 62 4.629 4.629 4.617 0.012 25852 2360 1 4 . 1 1 62 62 THR CA C 62 59.162 59.162 59.962 -0.800 25852 2361 1 4 . 1 1 62 62 THR CB C 62 67.526 67.526 72.397 -4.871 25852 2362 1 4 . 1 1 62 62 THR H H 62 7.481 7.481 7.451 0.030 25852 2363 1 4 . 1 1 63 63 ILE N N 63 118.533 118.533 123.054 -4.521 25852 2364 1 4 . 1 1 63 63 ILE HA H 63 3.783 3.783 4.415 -0.632 25852 2365 1 4 . 1 1 63 63 ILE CA C 63 60.537 60.537 59.281 1.256 25852 2366 1 4 . 1 1 63 63 ILE CB C 63 36.018 36.018 38.718 -2.700 25852 2367 1 4 . 1 1 63 63 ILE H H 63 8.820 8.820 9.104 -0.284 25852 2368 1 4 . 1 1 64 64 ASP N N 64 122.928 122.928 124.884 -1.956 25852 2369 1 4 . 1 1 64 64 ASP HA H 64 4.327 4.327 4.713 -0.386 25852 2370 1 4 . 1 1 64 64 ASP CA C 64 51.027 51.027 53.713 -2.686 25852 2371 1 4 . 1 1 64 64 ASP CB C 64 37.278 37.278 42.383 -5.105 25852 2372 1 4 . 1 1 64 64 ASP H H 64 8.380 8.380 8.295 0.085 25852 2373 1 4 . 1 1 65 65 PHE N N 65 118.559 118.559 116.054 2.505 25852 2374 1 4 . 1 1 65 65 PHE HA H 65 3.880 3.880 4.506 -0.626 25852 2375 1 4 . 1 1 65 65 PHE CA C 65 56.870 56.870 60.880 -4.010 25852 2376 1 4 . 1 1 65 65 PHE CB C 65 33.497 33.497 36.584 -3.087 25852 2377 1 4 . 1 1 65 65 PHE H H 65 8.559 8.559 8.904 -0.345 25852 2378 1 4 . 1 1 67 67 GLU N N 67 117.546 117.546 115.282 2.264 25852 2379 1 4 . 1 1 67 67 GLU HA H 67 3.904 3.904 4.270 -0.366 25852 2380 1 4 . 1 1 67 67 GLU CA C 67 56.870 56.870 57.522 -0.652 25852 2381 1 4 . 1 1 67 67 GLU CB C 67 26.623 26.623 31.131 -4.508 25852 2382 1 4 . 1 1 67 67 GLU H H 67 7.995 7.995 7.728 0.267 25852 2383 1 4 . 1 1 68 68 PHE N N 68 122.032 122.032 119.306 2.726 25852 2384 1 4 . 1 1 68 68 PHE HA H 68 3.904 3.904 4.440 -0.536 25852 2385 1 4 . 1 1 68 68 PHE CA C 68 59.047 59.047 59.960 -0.913 25852 2386 1 4 . 1 1 68 68 PHE CB C 68 36.934 36.934 38.469 -1.535 25852 2387 1 4 . 1 1 68 68 PHE H H 68 8.377 8.377 7.521 0.856 25852 2388 1 4 . 1 1 69 69 LEU N N 69 118.488 118.488 120.962 -2.474 25852 2389 1 4 . 1 1 69 69 LEU HA H 69 3.179 3.179 3.958 -0.779 25852 2390 1 4 . 1 1 69 69 LEU CA C 69 55.158 55.158 57.995 -2.837 25852 2391 1 4 . 1 1 69 69 LEU CB C 69 38.195 38.195 41.360 -3.165 25852 2392 1 4 . 1 1 69 69 LEU H H 69 8.393 8.393 6.949 1.444 25852 2393 1 4 . 1 1 70 70 THR N N 70 115.208 115.208 114.493 0.715 25852 2394 1 4 . 1 1 70 70 THR HA H 70 3.638 3.638 3.924 -0.286 25852 2395 1 4 . 1 1 70 70 THR CA C 70 63.630 63.630 66.699 -3.069 25852 2396 1 4 . 1 1 70 70 THR CB C 70 65.578 65.578 68.321 -2.743 25852 2397 1 4 . 1 1 70 70 THR H H 70 7.658 7.658 8.289 -0.631 25852 2398 1 4 . 1 1 71 71 MET N N 71 121.221 121.221 119.110 2.111 25852 2399 1 4 . 1 1 71 71 MET HA H 71 3.892 3.892 4.307 -0.415 25852 2400 1 4 . 1 1 71 71 MET CA C 71 56.303 56.303 57.309 -1.006 25852 2401 1 4 . 1 1 71 71 MET CB C 71 29.831 29.831 31.660 -1.829 25852 2402 1 4 . 1 1 71 71 MET H H 71 7.653 7.653 7.357 0.296 25852 2403 1 4 . 1 1 72 72 MET N N 72 117.459 117.459 117.416 0.043 25852 2404 1 4 . 1 1 72 72 MET HA H 72 3.892 3.892 4.379 -0.487 25852 2405 1 4 . 1 1 72 72 MET CA C 72 53.777 53.777 57.809 -4.032 25852 2406 1 4 . 1 1 72 72 MET CB C 72 29.029 29.029 32.722 -3.693 25852 2407 1 4 . 1 1 72 72 MET H H 72 7.956 7.956 7.599 0.357 25852 2408 1 4 . 1 1 73 73 ALA N N 73 120.856 120.856 121.827 -0.971 25852 2409 1 4 . 1 1 73 73 ALA HA H 73 3.868 3.868 4.212 -0.344 25852 2410 1 4 . 1 1 73 73 ALA CA C 73 52.402 52.402 54.663 -2.261 25852 2411 1 4 . 1 1 73 73 ALA CB C 73 15.280 15.280 19.037 -3.757 25852 2412 1 4 . 1 1 73 73 ALA H H 73 8.230 8.230 8.001 0.229 25852 2413 1 4 . 1 1 74 74 ARG N N 74 116.530 116.530 116.701 -0.171 25852 2414 1 4 . 1 1 74 74 ARG HA H 74 3.892 3.892 4.229 -0.337 25852 2415 1 4 . 1 1 74 74 ARG CA C 74 56.297 56.297 58.199 -1.902 25852 2416 1 4 . 1 1 74 74 ARG CB C 74 27.997 27.997 30.246 -2.249 25852 2417 1 4 . 1 1 74 74 ARG H H 74 7.409 7.409 8.033 -0.624 25852 2418 1 4 . 1 1 75 75 LYS N N 75 118.008 118.008 117.242 0.766 25852 2419 1 4 . 1 1 75 75 LYS HA H 75 3.965 3.965 4.366 -0.401 25852 2420 1 4 . 1 1 75 75 LYS CA C 75 55.495 55.495 57.886 -2.391 25852 2421 1 4 . 1 1 75 75 LYS CB C 75 26.279 26.279 32.839 -6.559 25852 2422 1 4 . 1 1 75 75 LYS H H 75 7.657 7.657 7.803 -0.146 25852 2423 1 4 . 1 1 76 76 MET N N 76 117.646 117.646 113.943 3.703 25852 2424 1 4 . 1 1 76 76 MET HA H 76 4.146 4.146 4.767 -0.621 25852 2425 1 4 . 1 1 76 76 MET CA C 76 53.947 53.947 56.791 -2.844 25852 2426 1 4 . 1 1 76 76 MET CB C 76 29.487 29.487 34.655 -5.168 25852 2427 1 4 . 1 1 76 76 MET H H 76 7.883 7.883 7.318 0.565 25852 2428 1 4 . 1 1 77 77 LYS N N 77 120.334 120.334 119.716 0.618 25852 2429 1 4 . 1 1 77 77 LYS HA H 77 3.941 3.941 4.129 -0.188 25852 2430 1 4 . 1 1 77 77 LYS CA C 77 56.526 56.526 58.523 -1.997 25852 2431 1 4 . 1 1 77 77 LYS CB C 77 27.425 27.425 32.628 -5.203 25852 2432 1 4 . 1 1 77 77 LYS H H 77 7.658 7.658 7.744 -0.086 25852 2433 1 4 . 1 1 78 78 ASP N N 78 121.733 121.733 117.175 4.558 25852 2434 1 4 . 1 1 78 78 ASP HA H 78 4.194 4.194 4.717 -0.523 25852 2435 1 4 . 1 1 78 78 ASP CA C 78 52.516 52.516 55.954 -3.438 25852 2436 1 4 . 1 1 78 78 ASP CB C 78 40.028 40.028 41.249 -1.222 25852 2437 1 4 . 1 1 78 78 ASP H H 78 8.212 8.212 8.077 0.135 25852 2438 1 4 . 1 1 79 79 THR N N 79 114.651 114.651 115.011 -0.360 25852 2439 1 4 . 1 1 79 79 THR HA H 79 4.170 4.170 4.249 -0.079 25852 2440 1 4 . 1 1 79 79 THR CA C 79 59.391 59.391 62.862 -3.471 25852 2441 1 4 . 1 1 79 79 THR CB C 79 67.067 67.067 69.239 -2.172 25852 2442 1 4 . 1 1 79 79 THR H H 79 8.048 8.048 7.726 0.322 25852 2443 1 4 . 1 1 80 80 ASP N N 80 122.484 122.484 118.136 4.348 25852 2444 1 4 . 1 1 80 80 ASP HA H 80 4.363 4.363 4.402 -0.039 25852 2445 1 4 . 1 1 80 80 ASP CA C 80 50.850 50.850 55.272 -4.422 25852 2446 1 4 . 1 1 80 80 ASP CB C 80 36.705 36.705 40.983 -4.278 25852 2447 1 4 . 1 1 80 80 ASP H H 80 8.432 8.432 8.065 0.367 25852 2448 1 4 . 1 1 81 81 SER N N 81 117.135 117.135 116.027 1.108 25852 2449 1 4 . 1 1 81 81 SER HA H 81 4.267 4.267 4.677 -0.410 25852 2450 1 4 . 1 1 81 81 SER CA C 81 56.870 56.870 60.135 -3.265 25852 2451 1 4 . 1 1 81 81 SER CB C 81 60.884 60.884 63.696 -2.812 25852 2452 1 4 . 1 1 81 81 SER H H 81 8.403 8.403 8.629 -0.226 25852 2453 1 4 . 1 1 82 82 GLU N N 82 121.723 121.723 121.544 0.179 25852 2454 1 4 . 1 1 82 82 GLU HA H 82 3.883 3.883 4.218 -0.335 25852 2455 1 4 . 1 1 82 82 GLU CA C 82 56.707 56.707 58.850 -2.143 25852 2456 1 4 . 1 1 82 82 GLU CB C 82 29.831 29.831 29.460 0.371 25852 2457 1 4 . 1 1 82 82 GLU H H 82 8.443 8.443 8.210 0.233 25852 2458 1 4 . 1 1 83 83 GLU N N 83 119.259 119.259 118.953 0.306 25852 2459 1 4 . 1 1 83 83 GLU HA H 83 3.883 3.883 4.144 -0.261 25852 2460 1 4 . 1 1 83 83 GLU CA C 83 56.606 56.606 59.100 -2.494 25852 2461 1 4 . 1 1 83 83 GLU CB C 83 29.364 29.364 28.924 0.440 25852 2462 1 4 . 1 1 83 83 GLU H H 83 8.118 8.118 8.810 -0.692 25852 2463 1 4 . 1 1 84 84 GLU N N 84 118.060 118.060 117.821 0.239 25852 2464 1 4 . 1 1 84 84 GLU HA H 84 3.871 3.871 4.493 -0.622 25852 2465 1 4 . 1 1 84 84 GLU CA C 84 56.606 56.606 58.445 -1.839 25852 2466 1 4 . 1 1 84 84 GLU CB C 84 25.817 25.817 29.401 -3.584 25852 2467 1 4 . 1 1 84 84 GLU H H 84 8.212 8.212 7.995 0.217 25852 2468 1 4 . 1 1 85 85 ILE N N 85 120.736 120.736 118.501 2.235 25852 2469 1 4 . 1 1 85 85 ILE HA H 85 3.678 3.678 4.051 -0.373 25852 2470 1 4 . 1 1 85 85 ILE CA C 85 62.484 62.484 64.716 -2.232 25852 2471 1 4 . 1 1 85 85 ILE CB C 85 35.445 35.445 38.463 -3.018 25852 2472 1 4 . 1 1 85 85 ILE H H 85 7.964 7.964 7.418 0.546 25852 2473 1 4 . 1 1 86 86 ARG N N 86 121.452 121.452 119.466 1.986 25852 2474 1 4 . 1 1 86 86 ARG HA H 86 3.989 3.989 4.344 -0.355 25852 2475 1 4 . 1 1 86 86 ARG CA C 86 56.985 56.985 59.020 -2.035 25852 2476 1 4 . 1 1 86 86 ARG CB C 86 26.856 26.856 29.458 -2.602 25852 2477 1 4 . 1 1 86 86 ARG H H 86 8.351 8.351 8.131 0.220 25852 2478 1 4 . 1 1 87 87 GLU N N 87 118.288 118.288 120.233 -1.945 25852 2479 1 4 . 1 1 87 87 GLU HA H 87 3.861 3.861 4.284 -0.423 25852 2480 1 4 . 1 1 87 87 GLU CA C 87 56.606 56.606 58.676 -2.070 25852 2481 1 4 . 1 1 87 87 GLU CB C 87 25.817 25.817 29.258 -3.441 25852 2482 1 4 . 1 1 87 87 GLU H H 87 8.238 8.238 8.085 0.153 25852 2483 1 4 . 1 1 88 88 ALA N N 88 120.408 120.408 121.881 -1.473 25852 2484 1 4 . 1 1 88 88 ALA HA H 88 4.013 4.013 4.006 0.007 25852 2485 1 4 . 1 1 88 88 ALA CA C 88 52.263 52.263 54.564 -2.301 25852 2486 1 4 . 1 1 88 88 ALA CB C 88 15.080 15.080 18.159 -3.079 25852 2487 1 4 . 1 1 88 88 ALA H H 88 7.960 7.960 8.225 -0.265 25852 2488 1 4 . 1 1 89 89 PHE N N 89 118.123 118.123 116.872 1.251 25852 2489 1 4 . 1 1 89 89 PHE HA H 89 3.058 3.058 4.178 -1.120 25852 2490 1 4 . 1 1 89 89 PHE CA C 89 59.703 59.703 59.144 0.559 25852 2491 1 4 . 1 1 89 89 PHE CB C 89 36.774 36.774 38.983 -2.209 25852 2492 1 4 . 1 1 89 89 PHE H H 89 8.498 8.498 7.508 0.990 25852 2493 1 4 . 1 1 90 90 ARG N N 90 116.002 116.002 118.936 -2.934 25852 2494 1 4 . 1 1 90 90 ARG HA H 90 3.892 3.892 3.792 0.100 25852 2495 1 4 . 1 1 90 90 ARG CA C 90 56.168 56.168 56.905 -0.737 25852 2496 1 4 . 1 1 90 90 ARG CB C 90 27.654 27.654 30.177 -2.523 25852 2497 1 4 . 1 1 90 90 ARG H H 90 7.860 7.860 7.445 0.415 25852 2498 1 4 . 1 1 91 91 VAL N N 91 118.008 118.008 118.396 -0.388 25852 2499 1 4 . 1 1 91 91 VAL HA H 91 3.243 3.243 3.894 -0.651 25852 2500 1 4 . 1 1 91 91 VAL CA C 91 63.357 63.357 65.719 -2.362 25852 2501 1 4 . 1 1 91 91 VAL CB C 91 28.444 28.444 32.369 -3.925 25852 2502 1 4 . 1 1 91 91 VAL H H 91 7.300 7.300 7.636 -0.336 25852 2503 1 4 . 1 1 92 92 PHE N N 92 113.024 113.024 115.228 -2.204 25852 2504 1 4 . 1 1 92 92 PHE HA H 92 3.967 3.967 4.369 -0.402 25852 2505 1 4 . 1 1 92 92 PHE CA C 92 57.558 57.558 57.843 -0.285 25852 2506 1 4 . 1 1 92 92 PHE CB C 92 38.838 38.838 40.497 -1.659 25852 2507 1 4 . 1 1 92 92 PHE H H 92 6.805 6.805 7.927 -1.122 25852 2508 1 4 . 1 1 93 93 ASP N N 93 116.393 116.393 119.295 -2.902 25852 2509 1 4 . 1 1 93 93 ASP HA H 93 4.496 4.496 4.419 0.077 25852 2510 1 4 . 1 1 93 93 ASP CA C 93 49.525 49.525 55.127 -5.603 25852 2511 1 4 . 1 1 93 93 ASP CB C 93 35.788 35.788 40.457 -4.669 25852 2512 1 4 . 1 1 93 93 ASP H H 93 8.018 8.018 7.723 0.295 25852 2513 1 4 . 1 1 94 94 LYS N N 94 125.158 125.158 124.134 1.024 25852 2514 1 4 . 1 1 94 94 LYS HA H 94 3.892 3.892 4.076 -0.184 25852 2515 1 4 . 1 1 94 94 LYS CA C 94 56.183 56.183 57.694 -1.512 25852 2516 1 4 . 1 1 94 94 LYS CB C 94 29.945 29.945 32.841 -2.896 25852 2517 1 4 . 1 1 94 94 LYS H H 94 7.721 7.721 7.931 -0.210 25852 2518 1 4 . 1 1 95 95 ASP N N 95 113.893 113.893 117.419 -3.526 25852 2519 1 4 . 1 1 95 95 ASP HA H 95 4.415 4.415 4.486 -0.071 25852 2520 1 4 . 1 1 95 95 ASP CA C 95 50.683 50.683 55.239 -4.556 25852 2521 1 4 . 1 1 95 95 ASP CB C 95 36.774 36.774 40.587 -3.813 25852 2522 1 4 . 1 1 95 95 ASP H H 95 8.156 8.156 8.196 -0.040 25852 2523 1 4 . 1 1 96 96 GLY N N 96 108.799 108.799 106.922 1.877 25852 2524 1 4 . 1 1 96 96 GLY CA C 96 44.344 44.344 45.496 -1.152 25852 2525 1 4 . 1 1 96 96 GLY H H 96 7.717 7.717 8.308 -0.591 25852 2526 1 4 . 1 1 97 97 ASN N N 97 119.381 119.381 118.740 0.641 25852 2527 1 4 . 1 1 97 97 ASN HA H 97 4.500 4.500 4.874 -0.374 25852 2528 1 4 . 1 1 97 97 ASN CA C 97 49.916 49.916 53.008 -3.092 25852 2529 1 4 . 1 1 97 97 ASN CB C 97 35.183 35.183 39.365 -4.182 25852 2530 1 4 . 1 1 97 97 ASN H H 97 8.312 8.312 8.692 -0.380 25852 2531 1 4 . 1 1 98 98 GLY N N 98 112.330 112.330 105.898 6.432 25852 2532 1 4 . 1 1 98 98 GLY CA C 98 42.434 42.434 45.301 -2.867 25852 2533 1 4 . 1 1 98 98 GLY H H 98 10.555 10.555 8.049 2.506 25852 2534 1 4 . 1 1 99 99 TYR N N 99 116.075 116.075 120.339 -4.264 25852 2535 1 4 . 1 1 99 99 TYR HA H 99 4.871 4.871 4.781 0.090 25852 2536 1 4 . 1 1 99 99 TYR CA C 99 53.582 53.582 56.700 -3.118 25852 2537 1 4 . 1 1 99 99 TYR CB C 99 39.981 39.981 39.270 0.711 25852 2538 1 4 . 1 1 99 99 TYR H H 99 7.650 7.650 7.625 0.025 25852 2539 1 4 . 1 1 100 100 ILE N N 100 126.834 126.834 127.053 -0.219 25852 2540 1 4 . 1 1 100 100 ILE HA H 100 4.493 4.493 4.241 0.252 25852 2541 1 4 . 1 1 100 100 ILE CA C 100 58.616 58.616 61.326 -2.710 25852 2542 1 4 . 1 1 100 100 ILE CB C 100 35.903 35.903 36.774 -0.871 25852 2543 1 4 . 1 1 100 100 ILE H H 100 10.037 10.037 8.823 1.214 25852 2544 1 4 . 1 1 101 101 SER N N 101 123.486 123.486 122.925 0.561 25852 2545 1 4 . 1 1 101 101 SER HA H 101 4.738 4.738 4.402 0.336 25852 2546 1 4 . 1 1 101 101 SER CA C 101 52.897 52.897 59.547 -6.650 25852 2547 1 4 . 1 1 101 101 SER CB C 101 64.134 64.134 63.935 0.199 25852 2548 1 4 . 1 1 101 101 SER H H 101 8.904 8.904 8.227 0.677 25852 2549 1 4 . 1 1 102 102 ALA N N 102 122.796 122.796 124.202 -1.406 25852 2550 1 4 . 1 1 102 102 ALA HA H 102 3.747 3.747 4.023 -0.276 25852 2551 1 4 . 1 1 102 102 ALA CA C 102 53.093 53.093 54.900 -1.806 25852 2552 1 4 . 1 1 102 102 ALA CB C 102 15.114 15.114 18.361 -3.247 25852 2553 1 4 . 1 1 102 102 ALA H H 102 9.246 9.246 8.828 0.418 25852 2554 1 4 . 1 1 103 103 ALA N N 103 118.362 118.362 117.955 0.407 25852 2555 1 4 . 1 1 103 103 ALA HA H 103 3.861 3.861 4.070 -0.209 25852 2556 1 4 . 1 1 103 103 ALA CA C 103 52.409 52.409 53.744 -1.335 25852 2557 1 4 . 1 1 103 103 ALA CB C 103 15.456 15.456 18.788 -3.332 25852 2558 1 4 . 1 1 103 103 ALA H H 103 8.214 8.214 8.242 -0.028 25852 2559 1 4 . 1 1 104 104 GLU N N 104 120.187 120.187 120.159 0.028 25852 2560 1 4 . 1 1 104 104 GLU HA H 104 3.904 3.904 4.150 -0.246 25852 2561 1 4 . 1 1 104 104 GLU CA C 104 56.563 56.563 58.301 -1.738 25852 2562 1 4 . 1 1 104 104 GLU CB C 104 26.400 26.400 29.629 -3.229 25852 2563 1 4 . 1 1 104 104 GLU H H 104 7.864 7.864 7.757 0.107 25852 2564 1 4 . 1 1 105 105 LEU N N 105 121.050 121.050 120.509 0.541 25852 2565 1 4 . 1 1 105 105 LEU HA H 105 3.892 3.892 3.725 0.167 25852 2566 1 4 . 1 1 105 105 LEU CA C 105 55.732 55.732 57.909 -2.177 25852 2567 1 4 . 1 1 105 105 LEU CB C 105 39.340 39.340 41.958 -2.618 25852 2568 1 4 . 1 1 105 105 LEU H H 105 8.341 8.341 8.648 -0.307 25852 2569 1 4 . 1 1 106 106 ARG N N 106 118.494 118.494 118.767 -0.273 25852 2570 1 4 . 1 1 106 106 ARG HA H 106 3.904 3.904 3.974 -0.070 25852 2571 1 4 . 1 1 106 106 ARG CA C 106 55.724 55.724 58.906 -3.182 25852 2572 1 4 . 1 1 106 106 ARG CB C 106 29.945 29.945 28.960 0.984 25852 2573 1 4 . 1 1 106 106 ARG H H 106 8.852 8.852 7.561 1.291 25852 2574 1 4 . 1 1 107 107 HIS N N 107 118.921 118.921 119.357 -0.436 25852 2575 1 4 . 1 1 107 107 HIS HA H 107 3.876 3.876 4.397 -0.521 25852 2576 1 4 . 1 1 107 107 HIS CA C 107 56.807 56.807 59.221 -2.413 25852 2577 1 4 . 1 1 107 107 HIS CB C 107 27.198 27.198 30.136 -2.938 25852 2578 1 4 . 1 1 107 107 HIS H H 107 8.045 8.045 8.383 -0.338 25852 2579 1 4 . 1 1 108 108 VAL N N 108 118.991 118.991 120.928 -1.937 25852 2580 1 4 . 1 1 108 108 VAL HA H 108 3.385 3.385 3.535 -0.150 25852 2581 1 4 . 1 1 108 108 VAL CA C 108 64.285 64.285 66.248 -1.963 25852 2582 1 4 . 1 1 108 108 VAL CB C 108 28.908 28.908 31.024 -2.116 25852 2583 1 4 . 1 1 108 108 VAL H H 108 7.766 7.766 8.406 -0.640 25852 2584 1 4 . 1 1 109 109 MET N N 109 115.789 115.789 118.986 -3.197 25852 2585 1 4 . 1 1 109 109 MET HA H 109 4.139 4.139 3.977 0.162 25852 2586 1 4 . 1 1 109 109 MET CA C 109 54.461 54.461 59.798 -5.338 25852 2587 1 4 . 1 1 109 109 MET CB C 109 29.706 29.706 32.334 -2.628 25852 2588 1 4 . 1 1 109 109 MET H H 109 8.333 8.333 8.381 -0.048 25852 2589 1 4 . 1 1 110 110 THR N N 110 116.700 116.700 113.353 3.347 25852 2590 1 4 . 1 1 110 110 THR HA H 110 3.935 3.935 4.180 -0.245 25852 2591 1 4 . 1 1 110 110 THR CA C 110 63.845 63.845 65.427 -1.582 25852 2592 1 4 . 1 1 110 110 THR CB C 110 66.072 66.072 68.157 -2.085 25852 2593 1 4 . 1 1 110 110 THR H H 110 8.603 8.603 8.308 0.295 25852 2594 1 4 . 1 1 111 111 ASN N N 111 123.354 123.354 119.374 3.980 25852 2595 1 4 . 1 1 111 111 ASN HA H 111 4.242 4.242 4.508 -0.266 25852 2596 1 4 . 1 1 111 111 ASN CA C 111 53.093 53.093 55.450 -2.357 25852 2597 1 4 . 1 1 111 111 ASN CB C 111 35.292 35.292 38.647 -3.355 25852 2598 1 4 . 1 1 111 111 ASN H H 111 7.991 7.991 7.492 0.499 25852 2599 1 4 . 1 1 112 112 LEU N N 112 118.291 118.291 116.665 1.626 25852 2600 1 4 . 1 1 112 112 LEU HA H 112 4.182 4.182 4.169 0.013 25852 2601 1 4 . 1 1 112 112 LEU CA C 112 52.653 52.653 56.206 -3.554 25852 2602 1 4 . 1 1 112 112 LEU CB C 112 39.738 39.738 42.786 -3.048 25852 2603 1 4 . 1 1 112 112 LEU H H 112 7.754 7.754 8.051 -0.297 25852 2604 1 4 . 1 1 113 113 GLY N N 113 106.894 106.894 103.382 3.512 25852 2605 1 4 . 1 1 113 113 GLY CA C 113 42.536 42.536 44.409 -1.873 25852 2606 1 4 . 1 1 113 113 GLY H H 113 7.778 7.778 7.944 -0.166 25852 2607 1 4 . 1 1 114 114 GLU N N 114 119.776 119.776 121.302 -1.526 25852 2608 1 4 . 1 1 114 114 GLU HA H 114 4.267 4.267 4.434 -0.167 25852 2609 1 4 . 1 1 114 114 GLU CA C 114 52.067 52.067 55.209 -3.142 25852 2610 1 4 . 1 1 114 114 GLU CB C 114 26.616 26.616 31.841 -5.226 25852 2611 1 4 . 1 1 114 114 GLU H H 114 7.957 7.957 8.541 -0.584 25852 2612 1 4 . 1 1 115 115 LYS N N 115 124.429 124.429 122.298 2.131 25852 2613 1 4 . 1 1 115 115 LYS HA H 115 4.255 4.255 4.469 -0.214 25852 2614 1 4 . 1 1 115 115 LYS CA C 115 52.848 52.848 55.517 -2.669 25852 2615 1 4 . 1 1 115 115 LYS CB C 115 30.518 30.518 33.024 -2.506 25852 2616 1 4 . 1 1 115 115 LYS H H 115 8.591 8.591 8.443 0.148 25852 2617 1 4 . 1 1 116 116 LEU N N 116 124.724 124.724 122.071 2.653 25852 2618 1 4 . 1 1 116 116 LEU HA H 116 4.690 4.690 5.134 -0.444 25852 2619 1 4 . 1 1 116 116 LEU CA C 116 51.089 51.089 53.427 -2.338 25852 2620 1 4 . 1 1 116 116 LEU CB C 116 42.588 42.588 43.793 -1.205 25852 2621 1 4 . 1 1 116 116 LEU H H 116 8.066 8.066 8.261 -0.195 25852 2622 1 4 . 1 1 117 117 THR N N 117 113.912 113.912 115.821 -1.909 25852 2623 1 4 . 1 1 117 117 THR HA H 117 4.302 4.302 4.328 -0.026 25852 2624 1 4 . 1 1 117 117 THR CA C 117 57.834 57.834 60.985 -3.151 25852 2625 1 4 . 1 1 117 117 THR CB C 117 68.580 68.580 70.888 -2.308 25852 2626 1 4 . 1 1 117 117 THR H H 117 9.165 9.165 8.528 0.637 25852 2627 1 4 . 1 1 118 118 ASP N N 118 120.787 120.787 120.673 0.114 25852 2628 1 4 . 1 1 118 118 ASP HA H 118 4.061 4.061 4.352 -0.291 25852 2629 1 4 . 1 1 118 118 ASP CA C 118 55.243 55.243 58.655 -3.412 25852 2630 1 4 . 1 1 118 118 ASP CB C 118 37.002 37.002 41.038 -4.036 25852 2631 1 4 . 1 1 118 118 ASP H H 118 8.860 8.860 8.652 0.208 25852 2632 1 4 . 1 1 119 119 GLU N N 119 119.091 119.091 118.164 0.927 25852 2633 1 4 . 1 1 119 119 GLU HA H 119 3.892 3.892 4.194 -0.302 25852 2634 1 4 . 1 1 119 119 GLU CA C 119 57.149 57.149 58.679 -1.530 25852 2635 1 4 . 1 1 119 119 GLU CB C 119 25.931 25.931 29.157 -3.225 25852 2636 1 4 . 1 1 119 119 GLU H H 119 8.618 8.618 8.795 -0.177 25852 2637 1 4 . 1 1 120 120 GLU N N 120 120.037 120.037 118.448 1.589 25852 2638 1 4 . 1 1 120 120 GLU HA H 120 3.880 3.880 4.335 -0.455 25852 2639 1 4 . 1 1 120 120 GLU CA C 120 56.319 56.319 58.772 -2.453 25852 2640 1 4 . 1 1 120 120 GLU CB C 120 25.830 25.830 29.543 -3.713 25852 2641 1 4 . 1 1 120 120 GLU H H 120 7.659 7.659 8.037 -0.378 25852 2642 1 4 . 1 1 121 121 VAL N N 121 122.512 122.512 114.196 8.316 25852 2643 1 4 . 1 1 121 121 VAL HA H 121 3.385 3.385 4.087 -0.702 25852 2644 1 4 . 1 1 121 121 VAL CA C 121 64.090 64.090 64.986 -0.896 25852 2645 1 4 . 1 1 121 121 VAL CB C 121 28.680 28.680 31.700 -3.020 25852 2646 1 4 . 1 1 121 121 VAL H H 121 7.887 7.887 7.454 0.433 25852 2647 1 4 . 1 1 122 122 ASP N N 122 119.993 119.993 119.367 0.626 25852 2648 1 4 . 1 1 122 122 ASP HA H 122 4.157 4.157 4.516 -0.359 25852 2649 1 4 . 1 1 122 122 ASP CA C 122 54.901 54.901 56.545 -1.644 25852 2650 1 4 . 1 1 122 122 ASP CB C 122 37.572 37.572 40.171 -2.599 25852 2651 1 4 . 1 1 122 122 ASP H H 122 7.973 7.973 7.764 0.209 25852 2652 1 4 . 1 1 123 123 GLU N N 123 119.521 119.521 112.855 6.666 25852 2653 1 4 . 1 1 123 123 GLU HA H 123 3.880 3.880 4.473 -0.593 25852 2654 1 4 . 1 1 123 123 GLU CA C 123 56.612 56.612 56.494 0.118 25852 2655 1 4 . 1 1 123 123 GLU CB C 123 26.172 26.172 30.768 -4.596 25852 2656 1 4 . 1 1 123 123 GLU H H 123 7.903 7.903 7.766 0.137 25852 2657 1 4 . 1 1 124 124 MET N N 124 118.961 118.961 119.730 -0.769 25852 2658 1 4 . 1 1 124 124 MET HA H 124 3.892 3.892 4.444 -0.552 25852 2659 1 4 . 1 1 124 124 MET CA C 124 56.905 56.905 58.098 -1.193 25852 2660 1 4 . 1 1 124 124 MET CB C 124 29.250 29.250 33.748 -4.498 25852 2661 1 4 . 1 1 124 124 MET H H 124 7.496 7.496 7.573 -0.077 25852 2662 1 4 . 1 1 125 125 ILE N N 125 117.801 117.801 117.604 0.197 25852 2663 1 4 . 1 1 125 125 ILE HA H 125 3.409 3.409 4.030 -0.621 25852 2664 1 4 . 1 1 125 125 ILE CA C 125 60.131 60.131 64.051 -3.920 25852 2665 1 4 . 1 1 125 125 ILE CB C 125 33.240 33.240 38.657 -5.417 25852 2666 1 4 . 1 1 125 125 ILE H H 125 7.762 7.762 7.716 0.046 25852 2667 1 4 . 1 1 126 126 ARG N N 126 117.729 117.729 118.203 -0.474 25852 2668 1 4 . 1 1 126 126 ARG HA H 126 3.883 3.883 4.229 -0.346 25852 2669 1 4 . 1 1 126 126 ARG CA C 126 56.673 56.673 59.408 -2.735 25852 2670 1 4 . 1 1 126 126 ARG CB C 126 29.478 29.478 29.988 -0.510 25852 2671 1 4 . 1 1 126 126 ARG H H 126 8.055 8.055 8.623 -0.568 25852 2672 1 4 . 1 1 127 127 GLU N N 127 117.539 117.539 115.077 2.462 25852 2673 1 4 . 1 1 127 127 GLU HA H 127 3.861 3.861 4.262 -0.401 25852 2674 1 4 . 1 1 127 127 GLU CA C 127 56.319 56.319 57.704 -1.385 25852 2675 1 4 . 1 1 127 127 GLU CB C 127 26.286 26.286 29.488 -3.202 25852 2676 1 4 . 1 1 127 127 GLU H H 127 7.700 7.700 8.235 -0.535 25852 2677 1 4 . 1 1 128 128 ALA N N 128 116.677 116.677 119.506 -2.829 25852 2678 1 4 . 1 1 128 128 ALA HA H 128 4.500 4.500 4.439 0.061 25852 2679 1 4 . 1 1 128 128 ALA CA C 128 48.205 48.205 52.014 -3.809 25852 2680 1 4 . 1 1 128 128 ALA CB C 128 19.633 19.633 20.971 -1.339 25852 2681 1 4 . 1 1 128 128 ALA H H 128 7.223 7.223 7.619 -0.396 25852 2682 1 4 . 1 1 129 129 ASP N N 129 118.030 118.030 120.194 -2.164 25852 2683 1 4 . 1 1 129 129 ASP HA H 129 4.460 4.460 4.807 -0.347 25852 2684 1 4 . 1 1 129 129 ASP CA C 129 51.485 51.485 55.209 -3.724 25852 2685 1 4 . 1 1 129 129 ASP CB C 129 38.195 38.195 40.449 -2.253 25852 2686 1 4 . 1 1 129 129 ASP H H 129 7.895 7.895 8.299 -0.404 25852 2687 1 4 . 1 1 130 130 ILE N N 130 127.693 127.693 125.658 2.035 25852 2688 1 4 . 1 1 130 130 ILE HA H 130 3.797 3.797 4.029 -0.232 25852 2689 1 4 . 1 1 130 130 ILE CA C 130 60.522 60.522 63.151 -2.629 25852 2690 1 4 . 1 1 130 130 ILE CB C 130 36.090 36.090 38.721 -2.631 25852 2691 1 4 . 1 1 130 130 ILE H H 130 8.148 8.148 9.254 -1.106 25852 2692 1 4 . 1 1 131 131 ASP N N 131 116.409 116.409 120.229 -3.820 25852 2693 1 4 . 1 1 131 131 ASP HA H 131 4.376 4.376 4.665 -0.289 25852 2694 1 4 . 1 1 131 131 ASP CA C 131 51.187 51.187 54.375 -3.188 25852 2695 1 4 . 1 1 131 131 ASP CB C 131 37.468 37.468 41.901 -4.433 25852 2696 1 4 . 1 1 131 131 ASP H H 131 8.288 8.288 8.306 -0.018 25852 2697 1 4 . 1 1 132 132 GLY N N 132 108.363 108.363 107.008 1.355 25852 2698 1 4 . 1 1 132 132 GLY CA C 132 44.638 44.638 45.484 -0.846 25852 2699 1 4 . 1 1 132 132 GLY H H 132 7.630 7.630 8.567 -0.937 25852 2700 1 4 . 1 1 133 133 ASP N N 133 120.183 120.183 119.529 0.654 25852 2701 1 4 . 1 1 133 133 ASP HA H 133 4.329 4.329 4.635 -0.306 25852 2702 1 4 . 1 1 133 133 ASP CA C 133 50.942 50.942 54.139 -3.197 25852 2703 1 4 . 1 1 133 133 ASP CB C 133 37.458 37.458 41.236 -3.778 25852 2704 1 4 . 1 1 133 133 ASP H H 133 8.298 8.298 8.517 -0.219 25852 2705 1 4 . 1 1 134 134 GLY N N 134 112.149 112.149 105.843 6.306 25852 2706 1 4 . 1 1 134 134 GLY CA C 134 43.122 43.122 45.063 -1.941 25852 2707 1 4 . 1 1 134 134 GLY H H 134 10.079 10.079 8.582 1.497 25852 2708 1 4 . 1 1 135 135 GLN N N 135 115.069 115.069 117.193 -2.124 25852 2709 1 4 . 1 1 135 135 GLN HA H 135 4.844 4.844 4.678 0.166 25852 2710 1 4 . 1 1 135 135 GLN CA C 135 50.454 50.454 53.663 -3.209 25852 2711 1 4 . 1 1 135 135 GLN CB C 135 30.614 30.614 32.331 -1.716 25852 2712 1 4 . 1 1 135 135 GLN H H 135 7.922 7.922 7.571 0.351 25852 2713 1 4 . 1 1 136 136 VAL N N 136 125.107 125.107 120.162 4.945 25852 2714 1 4 . 1 1 136 136 VAL HA H 136 5.096 5.096 4.891 0.205 25852 2715 1 4 . 1 1 136 136 VAL CA C 136 58.713 58.713 61.413 -2.700 25852 2716 1 4 . 1 1 136 136 VAL CB C 136 31.416 31.416 35.243 -3.827 25852 2717 1 4 . 1 1 136 136 VAL H H 136 9.046 9.046 8.382 0.664 25852 2718 1 4 . 1 1 137 137 ASN N N 137 128.858 128.858 125.605 3.253 25852 2719 1 4 . 1 1 137 137 ASN HA H 137 5.226 5.226 5.226 0.000 25852 2720 1 4 . 1 1 137 137 ASN CA C 137 48.352 48.352 52.760 -4.408 25852 2721 1 4 . 1 1 137 137 ASN CB C 137 35.640 35.640 39.836 -4.196 25852 2722 1 4 . 1 1 137 137 ASN H H 137 9.458 9.458 9.145 0.313 25852 2723 1 4 . 1 1 138 138 TYR N N 138 118.481 118.481 119.564 -1.083 25852 2724 1 4 . 1 1 138 138 TYR HA H 138 3.603 3.603 4.235 -0.632 25852 2725 1 4 . 1 1 138 138 TYR CA C 138 59.669 59.669 62.799 -3.130 25852 2726 1 4 . 1 1 138 138 TYR CB C 138 37.572 37.572 37.936 -0.364 25852 2727 1 4 . 1 1 138 138 TYR H H 138 8.235 8.235 9.244 -1.009 25852 2728 1 4 . 1 1 139 139 GLU N N 139 118.474 118.474 117.664 0.810 25852 2729 1 4 . 1 1 139 139 GLU HA H 139 3.868 3.868 4.158 -0.290 25852 2730 1 4 . 1 1 139 139 GLU CA C 139 57.540 57.540 59.816 -2.276 25852 2731 1 4 . 1 1 139 139 GLU CB C 139 26.274 26.274 28.965 -2.692 25852 2732 1 4 . 1 1 139 139 GLU H H 139 8.067 8.067 8.721 -0.654 25852 2733 1 4 . 1 1 140 140 GLU N N 140 119.279 119.279 117.847 1.432 25852 2734 1 4 . 1 1 140 140 GLU HA H 140 3.880 3.880 4.201 -0.321 25852 2735 1 4 . 1 1 140 140 GLU CA C 140 56.025 56.025 58.461 -2.436 25852 2736 1 4 . 1 1 140 140 GLU CB C 140 26.274 26.274 29.794 -3.520 25852 2737 1 4 . 1 1 140 140 GLU H H 140 8.742 8.742 8.064 0.678 25852 2738 1 4 . 1 1 141 141 PHE N N 141 124.141 124.141 119.575 4.566 25852 2739 1 4 . 1 1 141 141 PHE HA H 141 3.602 3.602 4.229 -0.627 25852 2740 1 4 . 1 1 141 141 PHE CA C 141 59.447 59.447 60.360 -0.913 25852 2741 1 4 . 1 1 141 141 PHE CB C 141 37.686 37.686 39.361 -1.675 25852 2742 1 4 . 1 1 141 141 PHE H H 141 8.593 8.593 8.168 0.425 25852 2743 1 4 . 1 1 142 142 VAL N N 142 118.383 118.383 118.125 0.258 25852 2744 1 4 . 1 1 142 142 VAL HA H 142 2.986 2.986 3.707 -0.721 25852 2745 1 4 . 1 1 142 142 VAL CA C 142 64.432 64.432 65.405 -0.973 25852 2746 1 4 . 1 1 142 142 VAL CB C 142 28.908 28.908 32.078 -3.170 25852 2747 1 4 . 1 1 142 142 VAL H H 142 8.776 8.776 7.924 0.852 25852 2748 1 4 . 1 1 143 143 GLN N N 143 119.891 119.891 120.319 -0.428 25852 2749 1 4 . 1 1 143 143 GLN HA H 143 3.671 3.671 3.983 -0.312 25852 2750 1 4 . 1 1 143 143 GLN CA C 143 56.514 56.514 58.929 -2.415 25852 2751 1 4 . 1 1 143 143 GLN CB C 143 25.246 25.246 28.620 -3.374 25852 2752 1 4 . 1 1 143 143 GLN H H 143 7.787 7.787 7.942 -0.155 25852 2753 1 4 . 1 1 144 144 MET N N 144 118.429 118.429 116.667 1.762 25852 2754 1 4 . 1 1 144 144 MET HA H 144 3.892 3.892 4.174 -0.282 25852 2755 1 4 . 1 1 144 144 MET CA C 144 55.683 55.683 57.987 -2.304 25852 2756 1 4 . 1 1 144 144 MET CB C 144 28.110 28.110 31.349 -3.239 25852 2757 1 4 . 1 1 144 144 MET H H 144 7.450 7.450 8.055 -0.605 25852 2758 1 4 . 1 1 145 145 MET N N 145 114.145 114.145 117.067 -2.922 25852 2759 1 4 . 1 1 145 145 MET HA H 145 3.905 3.905 4.536 -0.631 25852 2760 1 4 . 1 1 145 145 MET CA C 145 53.630 53.630 57.562 -3.932 25852 2761 1 4 . 1 1 145 145 MET CB C 145 29.592 29.592 32.726 -3.134 25852 2762 1 4 . 1 1 145 145 MET H H 145 7.724 7.724 8.299 -0.575 25852 2763 1 4 . 1 1 146 146 THR N N 146 108.482 108.482 112.464 -3.982 25852 2764 1 4 . 1 1 146 146 THR HA H 146 4.170 4.170 4.416 -0.246 25852 2765 1 4 . 1 1 146 146 THR CA C 146 59.251 59.251 62.023 -2.772 25852 2766 1 4 . 1 1 146 146 THR CB C 146 67.896 67.896 69.621 -1.725 25852 2767 1 4 . 1 1 146 146 THR H H 146 7.700 7.700 7.648 0.052 25852 2768 1 4 . 1 1 147 147 ALA N N 147 126.469 126.469 124.684 1.785 25852 2769 1 4 . 1 1 147 147 ALA HA H 147 4.095 4.095 4.073 0.022 25852 2770 1 4 . 1 1 147 147 ALA CA C 147 50.307 50.307 53.871 -3.564 25852 2771 1 4 . 1 1 147 147 ALA CB C 147 16.336 16.336 19.094 -2.758 25852 2772 1 4 . 1 1 147 147 ALA H H 147 7.291 7.291 8.854 -1.563 25852 2773 1 5 . 1 1 3 3 GLN N N 3 118.120 118.120 118.960 -0.840 25852 2774 1 5 . 1 1 3 3 GLN HA H 3 4.688 4.688 4.254 0.434 25852 2775 1 5 . 1 1 3 3 GLN CA C 3 53.500 53.500 55.902 -2.402 25852 2776 1 5 . 1 1 3 3 GLN CB C 3 29.475 29.475 29.557 -0.082 25852 2777 1 5 . 1 1 3 3 GLN H H 3 8.134 8.134 8.399 -0.265 25852 2778 1 5 . 1 1 4 4 LEU N N 4 121.407 121.407 120.696 0.711 25852 2779 1 5 . 1 1 4 4 LEU HA H 4 4.460 4.460 4.647 -0.187 25852 2780 1 5 . 1 1 4 4 LEU CA C 4 51.650 51.650 54.336 -2.686 25852 2781 1 5 . 1 1 4 4 LEU CB C 4 40.715 40.715 42.004 -1.289 25852 2782 1 5 . 1 1 4 4 LEU H H 4 8.202 8.202 8.117 0.085 25852 2783 1 5 . 1 1 5 5 THR N N 5 112.733 112.733 110.212 2.521 25852 2784 1 5 . 1 1 5 5 THR HA H 5 4.265 4.265 4.438 -0.173 25852 2785 1 5 . 1 1 5 5 THR CA C 5 59.433 59.433 60.401 -0.968 25852 2786 1 5 . 1 1 5 5 THR CB C 5 67.475 67.475 70.139 -2.664 25852 2787 1 5 . 1 1 5 5 THR H H 5 8.691 8.691 7.699 0.992 25852 2788 1 5 . 1 1 6 6 GLU N N 6 119.971 119.971 120.587 -0.616 25852 2789 1 5 . 1 1 6 6 GLU HA H 6 3.854 3.854 3.921 -0.067 25852 2790 1 5 . 1 1 6 6 GLU CA C 6 56.756 56.756 59.561 -2.805 25852 2791 1 5 . 1 1 6 6 GLU CB C 6 26.508 26.508 29.573 -3.065 25852 2792 1 5 . 1 1 6 6 GLU H H 6 8.953 8.953 8.823 0.130 25852 2793 1 5 . 1 1 7 7 GLU N N 7 119.133 119.133 117.084 2.049 25852 2794 1 5 . 1 1 7 7 GLU HA H 7 3.898 3.898 3.954 -0.056 25852 2795 1 5 . 1 1 7 7 GLU CA C 7 56.756 56.756 58.828 -2.072 25852 2796 1 5 . 1 1 7 7 GLU CB C 7 26.279 26.279 28.825 -2.546 25852 2797 1 5 . 1 1 7 7 GLU H H 7 8.653 8.653 8.442 0.211 25852 2798 1 5 . 1 1 8 8 GLN N N 8 120.207 120.207 119.164 1.043 25852 2799 1 5 . 1 1 8 8 GLN HA H 8 3.957 3.957 4.065 -0.108 25852 2800 1 5 . 1 1 8 8 GLN CA C 8 57.099 57.099 58.618 -1.519 25852 2801 1 5 . 1 1 8 8 GLN CB C 8 26.737 26.737 28.643 -1.906 25852 2802 1 5 . 1 1 8 8 GLN H H 8 7.645 7.645 7.484 0.161 25852 2803 1 5 . 1 1 9 9 ILE N N 9 118.171 118.171 119.787 -1.616 25852 2804 1 5 . 1 1 9 9 ILE HA H 9 3.354 3.354 3.279 0.075 25852 2805 1 5 . 1 1 9 9 ILE CA C 9 62.714 62.714 62.557 0.157 25852 2806 1 5 . 1 1 9 9 ILE CB C 9 35.216 35.216 36.421 -1.205 25852 2807 1 5 . 1 1 9 9 ILE H H 9 8.153 8.153 7.270 0.883 25852 2808 1 5 . 1 1 10 10 ALA N N 10 120.124 120.124 120.622 -0.498 25852 2809 1 5 . 1 1 10 10 ALA HA H 10 3.966 3.966 4.239 -0.273 25852 2810 1 5 . 1 1 10 10 ALA CA C 10 52.746 52.746 54.895 -2.148 25852 2811 1 5 . 1 1 10 10 ALA CB C 10 15.165 15.165 18.925 -3.760 25852 2812 1 5 . 1 1 10 10 ALA H H 10 7.835 7.835 8.224 -0.389 25852 2813 1 5 . 1 1 11 11 GLU N N 11 119.983 119.983 116.338 3.645 25852 2814 1 5 . 1 1 11 11 GLU HA H 11 3.904 3.904 4.938 -1.034 25852 2815 1 5 . 1 1 11 11 GLU CA C 11 56.560 56.560 57.230 -0.670 25852 2816 1 5 . 1 1 11 11 GLU CB C 11 27.425 27.425 31.366 -3.941 25852 2817 1 5 . 1 1 11 11 GLU H H 11 7.706 7.706 7.849 -0.143 25852 2818 1 5 . 1 1 12 12 PHE N N 12 119.907 119.907 120.048 -0.141 25852 2819 1 5 . 1 1 12 12 PHE HA H 12 4.726 4.726 4.612 0.114 25852 2820 1 5 . 1 1 12 12 PHE CA C 12 55.839 55.839 58.862 -3.023 25852 2821 1 5 . 1 1 12 12 PHE CB C 12 33.955 33.955 38.596 -4.641 25852 2822 1 5 . 1 1 12 12 PHE H H 12 8.728 8.728 9.057 -0.329 25852 2823 1 5 . 1 1 13 13 LYS N N 13 121.208 121.208 120.338 0.870 25852 2824 1 5 . 1 1 13 13 LYS HA H 13 3.904 3.904 3.825 0.079 25852 2825 1 5 . 1 1 13 13 LYS CA C 13 57.290 57.290 58.948 -1.658 25852 2826 1 5 . 1 1 13 13 LYS CB C 13 30.174 30.174 32.618 -2.444 25852 2827 1 5 . 1 1 13 13 LYS H H 13 9.161 9.161 8.316 0.845 25852 2828 1 5 . 1 1 14 14 GLU N N 14 120.226 120.226 120.648 -0.422 25852 2829 1 5 . 1 1 14 14 GLU HA H 14 3.953 3.953 4.208 -0.255 25852 2830 1 5 . 1 1 14 14 GLU CA C 14 56.460 56.460 58.690 -2.230 25852 2831 1 5 . 1 1 14 14 GLU CB C 14 26.623 26.623 29.427 -2.804 25852 2832 1 5 . 1 1 14 14 GLU H H 14 7.980 7.980 8.196 -0.216 25852 2833 1 5 . 1 1 15 15 ALA N N 15 120.572 120.572 122.121 -1.549 25852 2834 1 5 . 1 1 15 15 ALA HA H 15 4.170 4.170 4.278 -0.108 25852 2835 1 5 . 1 1 15 15 ALA CA C 15 52.750 52.750 54.974 -2.224 25852 2836 1 5 . 1 1 15 15 ALA CB C 15 16.425 16.425 18.925 -2.500 25852 2837 1 5 . 1 1 15 15 ALA H H 15 7.563 7.563 8.664 -1.101 25852 2838 1 5 . 1 1 16 16 PHE N N 16 117.784 117.784 116.340 1.444 25852 2839 1 5 . 1 1 16 16 PHE HA H 16 3.904 3.904 4.518 -0.614 25852 2840 1 5 . 1 1 16 16 PHE CA C 16 59.540 59.540 58.732 0.808 25852 2841 1 5 . 1 1 16 16 PHE CB C 16 36.820 36.820 39.789 -2.969 25852 2842 1 5 . 1 1 16 16 PHE H H 16 8.453 8.453 7.554 0.899 25852 2843 1 5 . 1 1 17 17 SER N N 17 110.774 110.774 116.241 -5.467 25852 2844 1 5 . 1 1 17 17 SER HA H 17 4.086 4.086 3.991 0.095 25852 2845 1 5 . 1 1 17 17 SER CA C 17 58.560 58.560 60.673 -2.113 25852 2846 1 5 . 1 1 17 17 SER CB C 17 60.651 60.651 63.227 -2.576 25852 2847 1 5 . 1 1 17 17 SER H H 17 8.351 8.351 7.988 0.363 25852 2848 1 5 . 1 1 18 18 LEU N N 18 120.947 120.947 121.858 -0.911 25852 2849 1 5 . 1 1 18 18 LEU HA H 18 3.614 3.614 4.047 -0.433 25852 2850 1 5 . 1 1 18 18 LEU CA C 18 55.839 55.839 58.489 -2.650 25852 2851 1 5 . 1 1 18 18 LEU CB C 18 39.111 39.111 42.601 -3.490 25852 2852 1 5 . 1 1 18 18 LEU H H 18 7.278 7.278 8.427 -1.149 25852 2853 1 5 . 1 1 19 19 PHE N N 19 114.458 114.458 113.680 0.778 25852 2854 1 5 . 1 1 19 19 PHE HA H 19 3.904 3.904 4.498 -0.594 25852 2855 1 5 . 1 1 19 19 PHE CA C 19 56.870 56.870 57.976 -1.106 25852 2856 1 5 . 1 1 19 19 PHE CB C 19 33.841 33.841 41.603 -7.762 25852 2857 1 5 . 1 1 19 19 PHE H H 19 7.304 7.304 7.541 -0.237 25852 2858 1 5 . 1 1 20 20 ASP N N 20 122.233 122.233 122.137 0.096 25852 2859 1 5 . 1 1 20 20 ASP HA H 20 4.874 4.874 4.805 0.069 25852 2860 1 5 . 1 1 20 20 ASP CA C 20 50.454 50.454 53.512 -3.058 25852 2861 1 5 . 1 1 20 20 ASP CB C 20 37.622 37.622 39.356 -1.734 25852 2862 1 5 . 1 1 20 20 ASP H H 20 7.233 7.233 8.090 -0.857 25852 2863 1 5 . 1 1 21 21 LYS N N 21 123.433 123.433 121.743 1.690 25852 2864 1 5 . 1 1 21 21 LYS HA H 21 3.771 3.771 4.084 -0.313 25852 2865 1 5 . 1 1 21 21 LYS CA C 21 56.025 56.025 58.060 -2.035 25852 2866 1 5 . 1 1 21 21 LYS CB C 21 29.601 29.601 32.447 -2.846 25852 2867 1 5 . 1 1 21 21 LYS H H 21 8.007 8.007 7.850 0.157 25852 2868 1 5 . 1 1 22 22 ASP N N 22 116.890 116.890 119.305 -2.415 25852 2869 1 5 . 1 1 22 22 ASP HA H 22 4.400 4.400 4.519 -0.119 25852 2870 1 5 . 1 1 22 22 ASP CA C 22 50.683 50.683 54.634 -3.951 25852 2871 1 5 . 1 1 22 22 ASP CB C 22 37.049 37.049 40.965 -3.917 25852 2872 1 5 . 1 1 22 22 ASP H H 22 8.641 8.641 8.208 0.433 25852 2873 1 5 . 1 1 23 23 GLY N N 23 110.068 110.068 107.547 2.521 25852 2874 1 5 . 1 1 23 23 GLY CA C 23 43.745 43.745 45.139 -1.394 25852 2875 1 5 . 1 1 23 23 GLY H H 23 7.938 7.938 8.040 -0.102 25852 2876 1 5 . 1 1 24 24 ASP N N 24 120.219 120.219 120.123 0.096 25852 2877 1 5 . 1 1 24 24 ASP HA H 24 4.367 4.367 4.744 -0.377 25852 2878 1 5 . 1 1 24 24 ASP CA C 24 51.040 51.040 54.143 -3.103 25852 2879 1 5 . 1 1 24 24 ASP CB C 24 37.438 37.438 41.002 -3.564 25852 2880 1 5 . 1 1 24 24 ASP H H 24 8.723 8.723 8.081 0.642 25852 2881 1 5 . 1 1 25 25 GLY N N 25 111.889 111.889 109.263 2.626 25852 2882 1 5 . 1 1 25 25 GLY CA C 25 42.680 42.680 46.596 -3.916 25852 2883 1 5 . 1 1 25 25 GLY H H 25 10.132 10.132 8.903 1.229 25852 2884 1 5 . 1 1 26 26 THR N N 26 109.844 109.844 115.750 -5.906 25852 2885 1 5 . 1 1 26 26 THR HA H 26 5.386 5.386 5.054 0.332 25852 2886 1 5 . 1 1 26 26 THR CA C 26 56.950 56.950 60.780 -3.830 25852 2887 1 5 . 1 1 26 26 THR CB C 26 70.234 70.234 71.297 -1.063 25852 2888 1 5 . 1 1 26 26 THR H H 26 7.507 7.507 8.132 -0.625 25852 2889 1 5 . 1 1 27 27 ILE N N 27 110.289 110.289 117.084 -6.795 25852 2890 1 5 . 1 1 27 27 ILE HA H 27 3.891 3.891 4.706 -0.815 25852 2891 1 5 . 1 1 27 27 ILE CA C 27 58.360 58.360 58.730 -0.370 25852 2892 1 5 . 1 1 27 27 ILE CB C 27 35.559 35.559 41.201 -5.642 25852 2893 1 5 . 1 1 27 27 ILE H H 27 8.191 8.191 9.030 -0.839 25852 2894 1 5 . 1 1 28 28 THR N N 28 110.507 110.507 115.217 -4.710 25852 2895 1 5 . 1 1 28 28 THR HA H 28 4.895 4.895 4.474 0.421 25852 2896 1 5 . 1 1 28 28 THR CA C 28 57.787 57.787 62.662 -4.875 25852 2897 1 5 . 1 1 28 28 THR CB C 28 68.099 68.099 69.431 -1.333 25852 2898 1 5 . 1 1 28 28 THR H H 28 8.265 8.265 8.454 -0.189 25852 2899 1 5 . 1 1 29 29 THR N N 29 112.331 112.331 114.910 -2.579 25852 2900 1 5 . 1 1 29 29 THR HA H 29 3.941 3.941 4.016 -0.075 25852 2901 1 5 . 1 1 29 29 THR CA C 29 63.840 63.840 65.584 -1.744 25852 2902 1 5 . 1 1 29 29 THR CB C 29 65.807 65.807 68.893 -3.086 25852 2903 1 5 . 1 1 29 29 THR H H 29 8.225 8.225 8.239 -0.014 25852 2904 1 5 . 1 1 30 30 LYS N N 30 118.985 118.985 120.750 -1.765 25852 2905 1 5 . 1 1 30 30 LYS HA H 30 3.965 3.965 4.013 -0.048 25852 2906 1 5 . 1 1 30 30 LYS CA C 30 55.839 55.839 58.587 -2.748 25852 2907 1 5 . 1 1 30 30 LYS CB C 30 29.372 29.372 32.056 -2.684 25852 2908 1 5 . 1 1 30 30 LYS H H 30 7.559 7.559 8.645 -1.086 25852 2909 1 5 . 1 1 31 31 GLU N N 31 117.233 117.233 114.764 2.469 25852 2910 1 5 . 1 1 31 31 GLU HA H 31 3.965 3.965 4.188 -0.223 25852 2911 1 5 . 1 1 31 31 GLU CA C 31 57.140 57.140 56.459 0.681 25852 2912 1 5 . 1 1 31 31 GLU CB C 31 26.393 26.393 30.050 -3.657 25852 2913 1 5 . 1 1 31 31 GLU H H 31 7.431 7.431 7.715 -0.284 25852 2914 1 5 . 1 1 32 32 LEU N N 32 120.701 120.701 122.747 -2.046 25852 2915 1 5 . 1 1 32 32 LEU HA H 32 3.880 3.880 3.809 0.071 25852 2916 1 5 . 1 1 32 32 LEU CA C 32 55.520 55.520 57.982 -2.462 25852 2917 1 5 . 1 1 32 32 LEU CB C 32 39.226 39.226 41.663 -2.437 25852 2918 1 5 . 1 1 32 32 LEU H H 32 7.270 7.270 7.758 -0.488 25852 2919 1 5 . 1 1 33 33 GLY N N 33 105.217 105.217 104.621 0.596 25852 2920 1 5 . 1 1 33 33 GLY CA C 33 45.642 45.642 47.748 -2.106 25852 2921 1 5 . 1 1 33 33 GLY H H 33 8.737 8.737 8.040 0.697 25852 2922 1 5 . 1 1 34 34 THR N N 34 118.196 118.196 118.514 -0.318 25852 2923 1 5 . 1 1 34 34 THR HA H 34 3.916 3.916 4.051 -0.135 25852 2924 1 5 . 1 1 34 34 THR CA C 34 63.859 63.859 66.949 -3.090 25852 2925 1 5 . 1 1 34 34 THR CB C 34 65.807 65.807 68.550 -2.743 25852 2926 1 5 . 1 1 34 34 THR H H 34 7.446 7.446 7.273 0.173 25852 2927 1 5 . 1 1 35 35 VAL N N 35 122.546 122.546 121.262 1.284 25852 2928 1 5 . 1 1 35 35 VAL HA H 35 3.373 3.373 3.824 -0.451 25852 2929 1 5 . 1 1 35 35 VAL CA C 35 64.088 64.088 65.425 -1.337 25852 2930 1 5 . 1 1 35 35 VAL CB C 35 28.799 28.799 30.985 -2.186 25852 2931 1 5 . 1 1 35 35 VAL H H 35 7.889 7.889 7.424 0.465 25852 2932 1 5 . 1 1 36 36 MET N N 36 118.307 118.307 118.357 -0.050 25852 2933 1 5 . 1 1 36 36 MET HA H 36 3.880 3.880 4.215 -0.335 25852 2934 1 5 . 1 1 36 36 MET CA C 36 56.870 56.870 58.986 -2.116 25852 2935 1 5 . 1 1 36 36 MET CB C 36 26.279 26.279 33.115 -6.836 25852 2936 1 5 . 1 1 36 36 MET H H 36 8.386 8.386 7.959 0.427 25852 2937 1 5 . 1 1 37 37 ARG N N 37 119.233 119.233 119.018 0.215 25852 2938 1 5 . 1 1 37 37 ARG HA H 37 3.904 3.904 4.448 -0.544 25852 2939 1 5 . 1 1 37 37 ARG CA C 37 56.170 56.170 58.714 -2.544 25852 2940 1 5 . 1 1 37 37 ARG CB C 37 27.310 27.310 30.320 -3.010 25852 2941 1 5 . 1 1 37 37 ARG H H 37 8.451 8.451 8.309 0.142 25852 2942 1 5 . 1 1 38 38 SER N N 38 118.720 118.720 117.051 1.669 25852 2943 1 5 . 1 1 38 38 SER HA H 38 4.176 4.176 4.293 -0.117 25852 2944 1 5 . 1 1 38 38 SER CA C 38 59.250 59.250 61.309 -2.058 25852 2945 1 5 . 1 1 38 38 SER CB C 38 67.411 67.411 62.902 4.509 25852 2946 1 5 . 1 1 38 38 SER H H 38 8.040 8.040 8.328 -0.288 25852 2947 1 5 . 1 1 39 39 LEU N N 39 120.896 120.896 119.761 1.135 25852 2948 1 5 . 1 1 39 39 LEU HA H 39 4.460 4.460 4.462 -0.002 25852 2949 1 5 . 1 1 39 39 LEU CA C 39 51.330 51.330 54.964 -3.634 25852 2950 1 5 . 1 1 39 39 LEU CB C 39 40.257 40.257 42.166 -1.909 25852 2951 1 5 . 1 1 39 39 LEU H H 39 7.263 7.263 7.381 -0.118 25852 2952 1 5 . 1 1 40 40 GLY N N 40 106.917 106.917 106.619 0.298 25852 2953 1 5 . 1 1 40 40 GLY CA C 40 42.880 42.880 44.577 -1.696 25852 2954 1 5 . 1 1 40 40 GLY H H 40 7.841 7.841 7.925 -0.084 25852 2955 1 5 . 1 1 41 41 GLN N N 41 117.171 117.171 120.340 -3.169 25852 2956 1 5 . 1 1 41 41 GLN HA H 41 4.243 4.243 4.263 -0.020 25852 2957 1 5 . 1 1 41 41 GLN CA C 41 52.631 52.631 55.644 -3.013 25852 2958 1 5 . 1 1 41 41 GLN CB C 41 30.747 30.747 29.708 1.039 25852 2959 1 5 . 1 1 41 41 GLN H H 41 7.687 7.687 7.724 -0.037 25852 2960 1 5 . 1 1 42 42 ASN N N 42 116.423 116.423 120.751 -4.328 25852 2961 1 5 . 1 1 42 42 ASN HA H 42 5.016 5.016 5.039 -0.023 25852 2962 1 5 . 1 1 42 42 ASN CA C 42 48.640 48.640 50.480 -1.840 25852 2963 1 5 . 1 1 42 42 ASN CB C 42 36.591 36.591 38.934 -2.343 25852 2964 1 5 . 1 1 42 42 ASN H H 42 8.601 8.601 8.716 -0.115 25852 2965 1 5 . 1 1 44 44 THR N N 44 113.033 113.033 114.579 -1.546 25852 2966 1 5 . 1 1 44 44 THR HA H 44 4.279 4.279 4.480 -0.201 25852 2967 1 5 . 1 1 44 44 THR CA C 44 57.640 57.640 60.673 -3.033 25852 2968 1 5 . 1 1 44 44 THR CB C 44 68.328 68.328 70.479 -2.151 25852 2969 1 5 . 1 1 44 44 THR H H 44 8.711 8.711 8.108 0.603 25852 2970 1 5 . 1 1 45 45 GLU N N 45 120.233 120.233 122.205 -1.972 25852 2971 1 5 . 1 1 45 45 GLU HA H 45 3.892 3.892 4.190 -0.298 25852 2972 1 5 . 1 1 45 45 GLU CA C 45 56.756 56.756 58.687 -1.931 25852 2973 1 5 . 1 1 45 45 GLU CB C 45 26.393 26.393 29.409 -3.015 25852 2974 1 5 . 1 1 45 45 GLU H H 45 8.781 8.781 8.857 -0.076 25852 2975 1 5 . 1 1 46 46 ALA N N 46 120.833 120.833 122.444 -1.611 25852 2976 1 5 . 1 1 46 46 ALA HA H 46 3.868 3.868 4.499 -0.631 25852 2977 1 5 . 1 1 46 46 ALA CA C 46 52.310 52.310 54.707 -2.397 25852 2978 1 5 . 1 1 46 46 ALA CB C 46 15.394 15.394 18.534 -3.140 25852 2979 1 5 . 1 1 46 46 ALA H H 46 8.251 8.251 8.119 0.132 25852 2980 1 5 . 1 1 47 47 GLU N N 47 118.672 118.672 118.598 0.074 25852 2981 1 5 . 1 1 47 47 GLU HA H 47 3.965 3.965 4.502 -0.537 25852 2982 1 5 . 1 1 47 47 GLU CA C 47 56.641 56.641 58.514 -1.873 25852 2983 1 5 . 1 1 47 47 GLU CB C 47 26.623 26.623 29.411 -2.788 25852 2984 1 5 . 1 1 47 47 GLU H H 47 7.668 7.668 8.560 -0.892 25852 2985 1 5 . 1 1 48 48 LEU N N 48 119.645 119.645 119.591 0.054 25852 2986 1 5 . 1 1 48 48 LEU HA H 48 3.892 3.892 4.137 -0.245 25852 2987 1 5 . 1 1 48 48 LEU CA C 48 55.610 55.610 57.794 -2.184 25852 2988 1 5 . 1 1 48 48 LEU CB C 48 39.340 39.340 41.426 -2.086 25852 2989 1 5 . 1 1 48 48 LEU H H 48 8.244 8.244 7.641 0.603 25852 2990 1 5 . 1 1 49 49 GLN N N 49 117.446 117.446 117.510 -0.064 25852 2991 1 5 . 1 1 49 49 GLN HA H 49 3.892 3.892 4.152 -0.260 25852 2992 1 5 . 1 1 49 49 GLN CA C 49 56.756 56.756 58.294 -1.538 25852 2993 1 5 . 1 1 49 49 GLN CB C 49 26.508 26.508 28.587 -2.079 25852 2994 1 5 . 1 1 49 49 GLN H H 49 7.980 7.980 7.767 0.213 25852 2995 1 5 . 1 1 50 50 ASP N N 50 118.733 118.733 121.404 -2.671 25852 2996 1 5 . 1 1 50 50 ASP HA H 50 4.267 4.267 4.499 -0.232 25852 2997 1 5 . 1 1 50 50 ASP CA C 50 54.700 54.700 57.203 -2.503 25852 2998 1 5 . 1 1 50 50 ASP CB C 50 37.622 37.622 40.871 -3.249 25852 2999 1 5 . 1 1 50 50 ASP H H 50 7.761 7.761 7.746 0.015 25852 3000 1 5 . 1 1 51 51 MET N N 51 118.996 118.996 118.667 0.329 25852 3001 1 5 . 1 1 51 51 MET HA H 51 3.892 3.892 4.668 -0.776 25852 3002 1 5 . 1 1 51 51 MET CA C 51 56.560 56.560 58.841 -2.281 25852 3003 1 5 . 1 1 51 51 MET CB C 51 29.601 29.601 33.650 -4.049 25852 3004 1 5 . 1 1 51 51 MET H H 51 7.900 7.900 7.627 0.273 25852 3005 1 5 . 1 1 52 52 ILE N N 52 118.833 118.833 119.162 -0.329 25852 3006 1 5 . 1 1 52 52 ILE HA H 52 3.348 3.348 3.756 -0.408 25852 3007 1 5 . 1 1 52 52 ILE CA C 52 62.484 62.484 63.006 -0.522 25852 3008 1 5 . 1 1 52 52 ILE CB C 52 35.330 35.330 36.387 -1.057 25852 3009 1 5 . 1 1 52 52 ILE H H 52 8.261 8.261 7.829 0.432 25852 3010 1 5 . 1 1 53 53 ASN N N 53 117.296 117.296 115.847 1.449 25852 3011 1 5 . 1 1 53 53 ASN HA H 53 4.243 4.243 4.495 -0.252 25852 3012 1 5 . 1 1 53 53 ASN CA C 53 53.090 53.090 55.492 -2.402 25852 3013 1 5 . 1 1 53 53 ASN CB C 53 35.330 35.330 39.484 -4.154 25852 3014 1 5 . 1 1 53 53 ASN H H 53 8.186 8.186 7.876 0.310 25852 3015 1 5 . 1 1 54 54 GLU N N 54 117.133 117.133 117.514 -0.381 25852 3016 1 5 . 1 1 54 54 GLU HA H 54 3.965 3.965 4.276 -0.311 25852 3017 1 5 . 1 1 54 54 GLU CA C 54 56.412 56.412 58.123 -1.711 25852 3018 1 5 . 1 1 54 54 GLU CB C 54 26.508 26.508 30.331 -3.823 25852 3019 1 5 . 1 1 54 54 GLU H H 54 7.501 7.501 7.580 -0.079 25852 3020 1 5 . 1 1 55 55 VAL N N 55 112.928 112.928 119.712 -6.784 25852 3021 1 5 . 1 1 55 55 VAL HA H 55 4.194 4.194 3.990 0.204 25852 3022 1 5 . 1 1 55 55 VAL CA C 55 59.505 59.505 65.379 -5.874 25852 3023 1 5 . 1 1 55 55 VAL CB C 55 30.174 30.174 32.303 -2.129 25852 3024 1 5 . 1 1 55 55 VAL H H 55 7.575 7.575 8.334 -0.759 25852 3025 1 5 . 1 1 56 56 ASP N N 56 121.771 121.771 119.528 2.243 25852 3026 1 5 . 1 1 56 56 ASP HA H 56 4.388 4.388 4.485 -0.097 25852 3027 1 5 . 1 1 56 56 ASP CA C 56 50.990 50.990 54.319 -3.329 25852 3028 1 5 . 1 1 56 56 ASP CB C 56 36.820 36.820 39.547 -2.727 25852 3029 1 5 . 1 1 56 56 ASP H H 56 8.401 8.401 8.215 0.186 25852 3030 1 5 . 1 1 57 57 ALA N N 57 124.771 124.771 121.132 3.639 25852 3031 1 5 . 1 1 57 57 ALA HA H 57 4.001 4.001 4.285 -0.284 25852 3032 1 5 . 1 1 57 57 ALA CA C 57 52.402 52.402 53.511 -1.109 25852 3033 1 5 . 1 1 57 57 ALA CB C 57 15.280 15.280 19.104 -3.824 25852 3034 1 5 . 1 1 57 57 ALA H H 57 8.097 8.097 8.151 -0.054 25852 3035 1 5 . 1 1 58 58 ASP N N 58 114.518 114.518 119.507 -4.989 25852 3036 1 5 . 1 1 58 58 ASP HA H 58 4.400 4.400 4.634 -0.234 25852 3037 1 5 . 1 1 58 58 ASP CA C 58 50.798 50.798 54.353 -3.555 25852 3038 1 5 . 1 1 58 58 ASP CB C 58 36.934 36.934 41.730 -4.795 25852 3039 1 5 . 1 1 58 58 ASP H H 58 8.376 8.376 7.833 0.543 25852 3040 1 5 . 1 1 59 59 GLY N N 59 108.798 108.798 107.825 0.973 25852 3041 1 5 . 1 1 59 59 GLY CA C 59 44.490 44.490 45.492 -1.002 25852 3042 1 5 . 1 1 59 59 GLY H H 59 7.827 7.827 8.689 -0.862 25852 3043 1 5 . 1 1 60 60 ASN N N 60 119.696 119.696 118.032 1.664 25852 3044 1 5 . 1 1 60 60 ASN HA H 60 4.688 4.688 4.687 0.001 25852 3045 1 5 . 1 1 60 60 ASN CA C 60 51.943 51.943 53.036 -1.093 25852 3046 1 5 . 1 1 60 60 ASN CB C 60 38.424 38.424 39.318 -0.894 25852 3047 1 5 . 1 1 60 60 ASN H H 60 9.253 9.253 8.177 1.076 25852 3048 1 5 . 1 1 61 61 GLY N N 61 110.108 110.108 109.776 0.332 25852 3049 1 5 . 1 1 61 61 GLY CA C 61 42.870 42.870 46.312 -3.442 25852 3050 1 5 . 1 1 61 61 GLY H H 61 10.004 10.004 8.065 1.939 25852 3051 1 5 . 1 1 62 62 THR N N 62 110.533 110.533 112.426 -1.893 25852 3052 1 5 . 1 1 62 62 THR HA H 62 4.629 4.629 5.077 -0.449 25852 3053 1 5 . 1 1 62 62 THR CA C 62 59.162 59.162 60.601 -1.439 25852 3054 1 5 . 1 1 62 62 THR CB C 62 67.526 67.526 72.590 -5.064 25852 3055 1 5 . 1 1 62 62 THR H H 62 7.481 7.481 7.488 -0.007 25852 3056 1 5 . 1 1 63 63 ILE N N 63 118.533 118.533 121.258 -2.725 25852 3057 1 5 . 1 1 63 63 ILE HA H 63 3.783 3.783 4.422 -0.639 25852 3058 1 5 . 1 1 63 63 ILE CA C 63 60.537 60.537 58.740 1.797 25852 3059 1 5 . 1 1 63 63 ILE CB C 63 36.018 36.018 41.216 -5.198 25852 3060 1 5 . 1 1 63 63 ILE H H 63 8.820 8.820 8.945 -0.125 25852 3061 1 5 . 1 1 64 64 ASP N N 64 122.928 122.928 127.116 -4.188 25852 3062 1 5 . 1 1 64 64 ASP HA H 64 4.327 4.327 4.812 -0.485 25852 3063 1 5 . 1 1 64 64 ASP CA C 64 51.027 51.027 55.328 -4.301 25852 3064 1 5 . 1 1 64 64 ASP CB C 64 37.278 37.278 42.579 -5.301 25852 3065 1 5 . 1 1 64 64 ASP H H 64 8.380 8.380 8.827 -0.447 25852 3066 1 5 . 1 1 65 65 PHE N N 65 118.559 118.559 117.782 0.777 25852 3067 1 5 . 1 1 65 65 PHE HA H 65 3.880 3.880 5.068 -1.188 25852 3068 1 5 . 1 1 65 65 PHE CA C 65 56.870 56.870 60.398 -3.528 25852 3069 1 5 . 1 1 65 65 PHE CB C 65 33.497 33.497 36.247 -2.750 25852 3070 1 5 . 1 1 65 65 PHE H H 65 8.559 8.559 8.262 0.297 25852 3071 1 5 . 1 1 67 67 GLU N N 67 117.546 117.546 115.882 1.664 25852 3072 1 5 . 1 1 67 67 GLU HA H 67 3.904 3.904 4.203 -0.299 25852 3073 1 5 . 1 1 67 67 GLU CA C 67 56.870 56.870 57.499 -0.629 25852 3074 1 5 . 1 1 67 67 GLU CB C 67 26.623 26.623 29.613 -2.990 25852 3075 1 5 . 1 1 67 67 GLU H H 67 7.995 7.995 8.395 -0.400 25852 3076 1 5 . 1 1 68 68 PHE N N 68 122.032 122.032 116.888 5.144 25852 3077 1 5 . 1 1 68 68 PHE HA H 68 3.904 3.904 4.595 -0.691 25852 3078 1 5 . 1 1 68 68 PHE CA C 68 59.047 59.047 58.821 0.226 25852 3079 1 5 . 1 1 68 68 PHE CB C 68 36.934 36.934 38.343 -1.409 25852 3080 1 5 . 1 1 68 68 PHE H H 68 8.377 8.377 7.319 1.058 25852 3081 1 5 . 1 1 69 69 LEU N N 69 118.488 118.488 120.670 -2.182 25852 3082 1 5 . 1 1 69 69 LEU HA H 69 3.179 3.179 4.086 -0.907 25852 3083 1 5 . 1 1 69 69 LEU CA C 69 55.158 55.158 58.535 -3.377 25852 3084 1 5 . 1 1 69 69 LEU CB C 69 38.195 38.195 41.330 -3.135 25852 3085 1 5 . 1 1 69 69 LEU H H 69 8.393 8.393 7.314 1.079 25852 3086 1 5 . 1 1 70 70 THR N N 70 115.208 115.208 114.565 0.643 25852 3087 1 5 . 1 1 70 70 THR HA H 70 3.638 3.638 3.918 -0.280 25852 3088 1 5 . 1 1 70 70 THR CA C 70 63.630 63.630 66.189 -2.558 25852 3089 1 5 . 1 1 70 70 THR CB C 70 65.578 65.578 68.296 -2.718 25852 3090 1 5 . 1 1 70 70 THR H H 70 7.658 7.658 7.967 -0.309 25852 3091 1 5 . 1 1 71 71 MET N N 71 121.221 121.221 119.585 1.636 25852 3092 1 5 . 1 1 71 71 MET HA H 71 3.892 3.892 4.317 -0.425 25852 3093 1 5 . 1 1 71 71 MET CA C 71 56.303 56.303 58.619 -2.316 25852 3094 1 5 . 1 1 71 71 MET CB C 71 29.831 29.831 32.513 -2.682 25852 3095 1 5 . 1 1 71 71 MET H H 71 7.653 7.653 7.422 0.231 25852 3096 1 5 . 1 1 72 72 MET N N 72 117.459 117.459 117.808 -0.349 25852 3097 1 5 . 1 1 72 72 MET HA H 72 3.892 3.892 4.438 -0.546 25852 3098 1 5 . 1 1 72 72 MET CA C 72 53.777 53.777 57.712 -3.936 25852 3099 1 5 . 1 1 72 72 MET CB C 72 29.029 29.029 32.765 -3.736 25852 3100 1 5 . 1 1 72 72 MET H H 72 7.956 7.956 7.914 0.042 25852 3101 1 5 . 1 1 73 73 ALA N N 73 120.856 120.856 120.938 -0.082 25852 3102 1 5 . 1 1 73 73 ALA HA H 73 3.868 3.868 4.303 -0.435 25852 3103 1 5 . 1 1 73 73 ALA CA C 73 52.402 52.402 54.274 -1.872 25852 3104 1 5 . 1 1 73 73 ALA CB C 73 15.280 15.280 19.018 -3.738 25852 3105 1 5 . 1 1 73 73 ALA H H 73 8.230 8.230 8.276 -0.046 25852 3106 1 5 . 1 1 74 74 ARG N N 74 116.530 116.530 117.158 -0.628 25852 3107 1 5 . 1 1 74 74 ARG HA H 74 3.892 3.892 4.465 -0.573 25852 3108 1 5 . 1 1 74 74 ARG CA C 74 56.297 56.297 57.424 -1.127 25852 3109 1 5 . 1 1 74 74 ARG CB C 74 27.997 27.997 29.783 -1.786 25852 3110 1 5 . 1 1 74 74 ARG H H 74 7.409 7.409 7.605 -0.196 25852 3111 1 5 . 1 1 75 75 LYS N N 75 118.008 118.008 120.552 -2.544 25852 3112 1 5 . 1 1 75 75 LYS HA H 75 3.965 3.965 4.200 -0.235 25852 3113 1 5 . 1 1 75 75 LYS CA C 75 55.495 55.495 58.896 -3.401 25852 3114 1 5 . 1 1 75 75 LYS CB C 75 26.279 26.279 32.054 -5.775 25852 3115 1 5 . 1 1 75 75 LYS H H 75 7.657 7.657 7.879 -0.222 25852 3116 1 5 . 1 1 76 76 MET N N 76 117.646 117.646 113.254 4.392 25852 3117 1 5 . 1 1 76 76 MET HA H 76 4.146 4.146 4.700 -0.554 25852 3118 1 5 . 1 1 76 76 MET CA C 76 53.947 53.947 56.828 -2.881 25852 3119 1 5 . 1 1 76 76 MET CB C 76 29.487 29.487 34.104 -4.617 25852 3120 1 5 . 1 1 76 76 MET H H 76 7.883 7.883 7.429 0.454 25852 3121 1 5 . 1 1 77 77 LYS N N 77 120.334 120.334 119.282 1.052 25852 3122 1 5 . 1 1 77 77 LYS HA H 77 3.941 3.941 4.226 -0.285 25852 3123 1 5 . 1 1 77 77 LYS CA C 77 56.526 56.526 58.376 -1.850 25852 3124 1 5 . 1 1 77 77 LYS CB C 77 27.425 27.425 32.419 -4.994 25852 3125 1 5 . 1 1 77 77 LYS H H 77 7.658 7.658 7.654 0.004 25852 3126 1 5 . 1 1 78 78 ASP N N 78 121.733 121.733 116.728 5.005 25852 3127 1 5 . 1 1 78 78 ASP HA H 78 4.194 4.194 4.781 -0.587 25852 3128 1 5 . 1 1 78 78 ASP CA C 78 52.516 52.516 55.281 -2.765 25852 3129 1 5 . 1 1 78 78 ASP CB C 78 40.028 40.028 41.559 -1.531 25852 3130 1 5 . 1 1 78 78 ASP H H 78 8.212 8.212 7.699 0.513 25852 3131 1 5 . 1 1 79 79 THR N N 79 114.651 114.651 114.852 -0.201 25852 3132 1 5 . 1 1 79 79 THR HA H 79 4.170 4.170 4.186 -0.016 25852 3133 1 5 . 1 1 79 79 THR CA C 79 59.391 59.391 64.445 -5.054 25852 3134 1 5 . 1 1 79 79 THR CB C 79 67.067 67.067 69.588 -2.521 25852 3135 1 5 . 1 1 79 79 THR H H 79 8.048 8.048 8.089 -0.041 25852 3136 1 5 . 1 1 80 80 ASP N N 80 122.484 122.484 119.878 2.606 25852 3137 1 5 . 1 1 80 80 ASP HA H 80 4.363 4.363 4.879 -0.516 25852 3138 1 5 . 1 1 80 80 ASP CA C 80 50.850 50.850 54.242 -3.392 25852 3139 1 5 . 1 1 80 80 ASP CB C 80 36.705 36.705 42.846 -6.141 25852 3140 1 5 . 1 1 80 80 ASP H H 80 8.432 8.432 8.156 0.276 25852 3141 1 5 . 1 1 81 81 SER N N 81 117.135 117.135 118.283 -1.148 25852 3142 1 5 . 1 1 81 81 SER HA H 81 4.267 4.267 4.339 -0.072 25852 3143 1 5 . 1 1 81 81 SER CA C 81 56.870 56.870 59.833 -2.963 25852 3144 1 5 . 1 1 81 81 SER CB C 81 60.884 60.884 63.554 -2.670 25852 3145 1 5 . 1 1 81 81 SER H H 81 8.403 8.403 8.678 -0.275 25852 3146 1 5 . 1 1 82 82 GLU N N 82 121.723 121.723 120.553 1.170 25852 3147 1 5 . 1 1 82 82 GLU HA H 82 3.883 3.883 4.219 -0.336 25852 3148 1 5 . 1 1 82 82 GLU CA C 82 56.707 56.707 58.899 -2.192 25852 3149 1 5 . 1 1 82 82 GLU CB C 82 29.831 29.831 29.291 0.540 25852 3150 1 5 . 1 1 82 82 GLU H H 82 8.443 8.443 8.345 0.098 25852 3151 1 5 . 1 1 83 83 GLU N N 83 119.259 119.259 118.175 1.084 25852 3152 1 5 . 1 1 83 83 GLU HA H 83 3.883 3.883 4.143 -0.260 25852 3153 1 5 . 1 1 83 83 GLU CA C 83 56.606 56.606 58.517 -1.911 25852 3154 1 5 . 1 1 83 83 GLU CB C 83 29.364 29.364 28.387 0.977 25852 3155 1 5 . 1 1 83 83 GLU H H 83 8.118 8.118 8.728 -0.610 25852 3156 1 5 . 1 1 84 84 GLU N N 84 118.060 118.060 119.423 -1.363 25852 3157 1 5 . 1 1 84 84 GLU HA H 84 3.871 3.871 4.384 -0.513 25852 3158 1 5 . 1 1 84 84 GLU CA C 84 56.606 56.606 58.774 -2.168 25852 3159 1 5 . 1 1 84 84 GLU CB C 84 25.817 25.817 29.492 -3.675 25852 3160 1 5 . 1 1 84 84 GLU H H 84 8.212 8.212 8.011 0.201 25852 3161 1 5 . 1 1 85 85 ILE N N 85 120.736 120.736 117.379 3.357 25852 3162 1 5 . 1 1 85 85 ILE HA H 85 3.678 3.678 4.022 -0.344 25852 3163 1 5 . 1 1 85 85 ILE CA C 85 62.484 62.484 64.312 -1.828 25852 3164 1 5 . 1 1 85 85 ILE CB C 85 35.445 35.445 38.486 -3.041 25852 3165 1 5 . 1 1 85 85 ILE H H 85 7.964 7.964 7.421 0.543 25852 3166 1 5 . 1 1 86 86 ARG N N 86 121.452 121.452 120.667 0.785 25852 3167 1 5 . 1 1 86 86 ARG HA H 86 3.989 3.989 4.248 -0.259 25852 3168 1 5 . 1 1 86 86 ARG CA C 86 56.985 56.985 59.839 -2.854 25852 3169 1 5 . 1 1 86 86 ARG CB C 86 26.856 26.856 29.780 -2.924 25852 3170 1 5 . 1 1 86 86 ARG H H 86 8.351 8.351 7.939 0.412 25852 3171 1 5 . 1 1 87 87 GLU N N 87 118.288 118.288 119.089 -0.801 25852 3172 1 5 . 1 1 87 87 GLU HA H 87 3.861 3.861 4.176 -0.315 25852 3173 1 5 . 1 1 87 87 GLU CA C 87 56.606 56.606 58.793 -2.187 25852 3174 1 5 . 1 1 87 87 GLU CB C 87 25.817 25.817 29.288 -3.471 25852 3175 1 5 . 1 1 87 87 GLU H H 87 8.238 8.238 8.444 -0.206 25852 3176 1 5 . 1 1 88 88 ALA N N 88 120.408 120.408 121.729 -1.321 25852 3177 1 5 . 1 1 88 88 ALA HA H 88 4.013 4.013 4.276 -0.263 25852 3178 1 5 . 1 1 88 88 ALA CA C 88 52.263 52.263 54.572 -2.309 25852 3179 1 5 . 1 1 88 88 ALA CB C 88 15.080 15.080 18.451 -3.371 25852 3180 1 5 . 1 1 88 88 ALA H H 88 7.960 7.960 8.368 -0.408 25852 3181 1 5 . 1 1 89 89 PHE N N 89 118.123 118.123 117.104 1.019 25852 3182 1 5 . 1 1 89 89 PHE HA H 89 3.058 3.058 4.296 -1.238 25852 3183 1 5 . 1 1 89 89 PHE CA C 89 59.703 59.703 59.335 0.368 25852 3184 1 5 . 1 1 89 89 PHE CB C 89 36.774 36.774 39.578 -2.804 25852 3185 1 5 . 1 1 89 89 PHE H H 89 8.498 8.498 8.073 0.425 25852 3186 1 5 . 1 1 90 90 ARG N N 90 116.002 116.002 118.409 -2.407 25852 3187 1 5 . 1 1 90 90 ARG HA H 90 3.892 3.892 3.752 0.140 25852 3188 1 5 . 1 1 90 90 ARG CA C 90 56.168 56.168 57.128 -0.960 25852 3189 1 5 . 1 1 90 90 ARG CB C 90 27.654 27.654 30.292 -2.638 25852 3190 1 5 . 1 1 90 90 ARG H H 90 7.860 7.860 7.552 0.308 25852 3191 1 5 . 1 1 91 91 VAL N N 91 118.008 118.008 117.539 0.469 25852 3192 1 5 . 1 1 91 91 VAL HA H 91 3.243 3.243 3.854 -0.611 25852 3193 1 5 . 1 1 91 91 VAL CA C 91 63.357 63.357 65.100 -1.743 25852 3194 1 5 . 1 1 91 91 VAL CB C 91 28.444 28.444 32.572 -4.128 25852 3195 1 5 . 1 1 91 91 VAL H H 91 7.300 7.300 7.681 -0.381 25852 3196 1 5 . 1 1 92 92 PHE N N 92 113.024 113.024 115.307 -2.283 25852 3197 1 5 . 1 1 92 92 PHE HA H 92 3.967 3.967 4.363 -0.396 25852 3198 1 5 . 1 1 92 92 PHE CA C 92 57.558 57.558 59.182 -1.624 25852 3199 1 5 . 1 1 92 92 PHE CB C 92 38.838 38.838 40.594 -1.756 25852 3200 1 5 . 1 1 92 92 PHE H H 92 6.805 6.805 8.008 -1.203 25852 3201 1 5 . 1 1 93 93 ASP N N 93 116.393 116.393 120.015 -3.622 25852 3202 1 5 . 1 1 93 93 ASP HA H 93 4.496 4.496 4.659 -0.163 25852 3203 1 5 . 1 1 93 93 ASP CA C 93 49.525 49.525 54.851 -5.326 25852 3204 1 5 . 1 1 93 93 ASP CB C 93 35.788 35.788 40.595 -4.807 25852 3205 1 5 . 1 1 93 93 ASP H H 93 8.018 8.018 7.516 0.502 25852 3206 1 5 . 1 1 94 94 LYS N N 94 125.158 125.158 125.408 -0.250 25852 3207 1 5 . 1 1 94 94 LYS HA H 94 3.892 3.892 4.145 -0.253 25852 3208 1 5 . 1 1 94 94 LYS CA C 94 56.183 56.183 57.907 -1.724 25852 3209 1 5 . 1 1 94 94 LYS CB C 94 29.945 29.945 32.836 -2.891 25852 3210 1 5 . 1 1 94 94 LYS H H 94 7.721 7.721 8.593 -0.872 25852 3211 1 5 . 1 1 95 95 ASP N N 95 113.893 113.893 118.014 -4.121 25852 3212 1 5 . 1 1 95 95 ASP HA H 95 4.415 4.415 4.492 -0.077 25852 3213 1 5 . 1 1 95 95 ASP CA C 95 50.683 50.683 54.594 -3.911 25852 3214 1 5 . 1 1 95 95 ASP CB C 95 36.774 36.774 40.975 -4.202 25852 3215 1 5 . 1 1 95 95 ASP H H 95 8.156 8.156 8.278 -0.122 25852 3216 1 5 . 1 1 96 96 GLY N N 96 108.799 108.799 105.893 2.906 25852 3217 1 5 . 1 1 96 96 GLY CA C 96 44.344 44.344 46.383 -2.039 25852 3218 1 5 . 1 1 96 96 GLY H H 96 7.717 7.717 8.610 -0.893 25852 3219 1 5 . 1 1 97 97 ASN N N 97 119.381 119.381 118.185 1.196 25852 3220 1 5 . 1 1 97 97 ASN HA H 97 4.500 4.500 4.822 -0.322 25852 3221 1 5 . 1 1 97 97 ASN CA C 97 49.916 49.916 52.902 -2.986 25852 3222 1 5 . 1 1 97 97 ASN CB C 97 35.183 35.183 39.217 -4.034 25852 3223 1 5 . 1 1 97 97 ASN H H 97 8.312 8.312 8.263 0.049 25852 3224 1 5 . 1 1 98 98 GLY N N 98 112.330 112.330 106.656 5.674 25852 3225 1 5 . 1 1 98 98 GLY CA C 98 42.434 42.434 45.479 -3.045 25852 3226 1 5 . 1 1 98 98 GLY H H 98 10.555 10.555 8.037 2.518 25852 3227 1 5 . 1 1 99 99 TYR N N 99 116.075 116.075 119.383 -3.308 25852 3228 1 5 . 1 1 99 99 TYR HA H 99 4.871 4.871 4.840 0.031 25852 3229 1 5 . 1 1 99 99 TYR CA C 99 53.582 53.582 56.407 -2.825 25852 3230 1 5 . 1 1 99 99 TYR CB C 99 39.981 39.981 39.842 0.139 25852 3231 1 5 . 1 1 99 99 TYR H H 99 7.650 7.650 7.556 0.094 25852 3232 1 5 . 1 1 100 100 ILE N N 100 126.834 126.834 126.691 0.143 25852 3233 1 5 . 1 1 100 100 ILE HA H 100 4.493 4.493 4.482 0.011 25852 3234 1 5 . 1 1 100 100 ILE CA C 100 58.616 58.616 60.931 -2.315 25852 3235 1 5 . 1 1 100 100 ILE CB C 100 35.903 35.903 36.561 -0.658 25852 3236 1 5 . 1 1 100 100 ILE H H 100 10.037 10.037 9.183 0.854 25852 3237 1 5 . 1 1 101 101 SER N N 101 123.486 123.486 122.189 1.297 25852 3238 1 5 . 1 1 101 101 SER HA H 101 4.738 4.738 4.356 0.382 25852 3239 1 5 . 1 1 101 101 SER CA C 101 52.897 52.897 58.526 -5.629 25852 3240 1 5 . 1 1 101 101 SER CB C 101 64.134 64.134 64.631 -0.497 25852 3241 1 5 . 1 1 101 101 SER H H 101 8.904 8.904 8.773 0.131 25852 3242 1 5 . 1 1 102 102 ALA N N 102 122.796 122.796 125.105 -2.309 25852 3243 1 5 . 1 1 102 102 ALA HA H 102 3.747 3.747 4.093 -0.346 25852 3244 1 5 . 1 1 102 102 ALA CA C 102 53.093 53.093 54.823 -1.730 25852 3245 1 5 . 1 1 102 102 ALA CB C 102 15.114 15.114 18.536 -3.422 25852 3246 1 5 . 1 1 102 102 ALA H H 102 9.246 9.246 9.005 0.241 25852 3247 1 5 . 1 1 103 103 ALA N N 103 118.362 118.362 119.717 -1.355 25852 3248 1 5 . 1 1 103 103 ALA HA H 103 3.861 3.861 4.210 -0.349 25852 3249 1 5 . 1 1 103 103 ALA CA C 103 52.409 52.409 54.085 -1.676 25852 3250 1 5 . 1 1 103 103 ALA CB C 103 15.456 15.456 19.023 -3.567 25852 3251 1 5 . 1 1 103 103 ALA H H 103 8.214 8.214 8.447 -0.233 25852 3252 1 5 . 1 1 104 104 GLU N N 104 120.187 120.187 120.370 -0.183 25852 3253 1 5 . 1 1 104 104 GLU HA H 104 3.904 3.904 4.141 -0.237 25852 3254 1 5 . 1 1 104 104 GLU CA C 104 56.563 56.563 58.864 -2.301 25852 3255 1 5 . 1 1 104 104 GLU CB C 104 26.400 26.400 29.861 -3.461 25852 3256 1 5 . 1 1 104 104 GLU H H 104 7.864 7.864 7.869 -0.005 25852 3257 1 5 . 1 1 105 105 LEU N N 105 121.050 121.050 119.994 1.056 25852 3258 1 5 . 1 1 105 105 LEU HA H 105 3.892 3.892 4.179 -0.287 25852 3259 1 5 . 1 1 105 105 LEU CA C 105 55.732 55.732 57.747 -2.015 25852 3260 1 5 . 1 1 105 105 LEU CB C 105 39.340 39.340 42.323 -2.983 25852 3261 1 5 . 1 1 105 105 LEU H H 105 8.341 8.341 8.496 -0.155 25852 3262 1 5 . 1 1 106 106 ARG N N 106 118.494 118.494 119.411 -0.917 25852 3263 1 5 . 1 1 106 106 ARG HA H 106 3.904 3.904 4.053 -0.149 25852 3264 1 5 . 1 1 106 106 ARG CA C 106 55.724 55.724 58.829 -3.105 25852 3265 1 5 . 1 1 106 106 ARG CB C 106 29.945 29.945 29.021 0.924 25852 3266 1 5 . 1 1 106 106 ARG H H 106 8.852 8.852 7.811 1.041 25852 3267 1 5 . 1 1 107 107 HIS N N 107 118.921 118.921 119.197 -0.276 25852 3268 1 5 . 1 1 107 107 HIS HA H 107 3.876 3.876 4.387 -0.511 25852 3269 1 5 . 1 1 107 107 HIS CA C 107 56.807 56.807 59.284 -2.477 25852 3270 1 5 . 1 1 107 107 HIS CB C 107 27.198 27.198 29.809 -2.611 25852 3271 1 5 . 1 1 107 107 HIS H H 107 8.045 8.045 8.479 -0.434 25852 3272 1 5 . 1 1 108 108 VAL N N 108 118.991 118.991 120.608 -1.617 25852 3273 1 5 . 1 1 108 108 VAL HA H 108 3.385 3.385 3.497 -0.112 25852 3274 1 5 . 1 1 108 108 VAL CA C 108 64.285 64.285 66.603 -2.318 25852 3275 1 5 . 1 1 108 108 VAL CB C 108 28.908 28.908 31.126 -2.218 25852 3276 1 5 . 1 1 108 108 VAL H H 108 7.766 7.766 8.448 -0.682 25852 3277 1 5 . 1 1 109 109 MET N N 109 115.789 115.789 119.176 -3.387 25852 3278 1 5 . 1 1 109 109 MET HA H 109 4.139 4.139 3.989 0.150 25852 3279 1 5 . 1 1 109 109 MET CA C 109 54.461 54.461 59.989 -5.528 25852 3280 1 5 . 1 1 109 109 MET CB C 109 29.706 29.706 32.475 -2.769 25852 3281 1 5 . 1 1 109 109 MET H H 109 8.333 8.333 8.513 -0.180 25852 3282 1 5 . 1 1 110 110 THR N N 110 116.700 116.700 113.528 3.172 25852 3283 1 5 . 1 1 110 110 THR HA H 110 3.935 3.935 4.127 -0.192 25852 3284 1 5 . 1 1 110 110 THR CA C 110 63.845 63.845 65.079 -1.234 25852 3285 1 5 . 1 1 110 110 THR CB C 110 66.072 66.072 68.419 -2.347 25852 3286 1 5 . 1 1 110 110 THR H H 110 8.603 8.603 8.378 0.225 25852 3287 1 5 . 1 1 111 111 ASN N N 111 123.354 123.354 119.097 4.257 25852 3288 1 5 . 1 1 111 111 ASN HA H 111 4.242 4.242 4.577 -0.335 25852 3289 1 5 . 1 1 111 111 ASN CA C 111 53.093 53.093 55.390 -2.297 25852 3290 1 5 . 1 1 111 111 ASN CB C 111 35.292 35.292 38.708 -3.416 25852 3291 1 5 . 1 1 111 111 ASN H H 111 7.991 7.991 7.319 0.672 25852 3292 1 5 . 1 1 112 112 LEU N N 112 118.291 118.291 117.595 0.696 25852 3293 1 5 . 1 1 112 112 LEU HA H 112 4.182 4.182 4.253 -0.071 25852 3294 1 5 . 1 1 112 112 LEU CA C 112 52.653 52.653 56.106 -3.453 25852 3295 1 5 . 1 1 112 112 LEU CB C 112 39.738 39.738 42.762 -3.024 25852 3296 1 5 . 1 1 112 112 LEU H H 112 7.754 7.754 8.000 -0.246 25852 3297 1 5 . 1 1 113 113 GLY N N 113 106.894 106.894 104.698 2.196 25852 3298 1 5 . 1 1 113 113 GLY CA C 113 42.536 42.536 44.619 -2.083 25852 3299 1 5 . 1 1 113 113 GLY H H 113 7.778 7.778 8.165 -0.387 25852 3300 1 5 . 1 1 114 114 GLU N N 114 119.776 119.776 121.406 -1.630 25852 3301 1 5 . 1 1 114 114 GLU HA H 114 4.267 4.267 4.487 -0.220 25852 3302 1 5 . 1 1 114 114 GLU CA C 114 52.067 52.067 55.251 -3.184 25852 3303 1 5 . 1 1 114 114 GLU CB C 114 26.616 26.616 32.169 -5.553 25852 3304 1 5 . 1 1 114 114 GLU H H 114 7.957 7.957 8.496 -0.539 25852 3305 1 5 . 1 1 115 115 LYS N N 115 124.429 124.429 121.458 2.971 25852 3306 1 5 . 1 1 115 115 LYS HA H 115 4.255 4.255 4.462 -0.207 25852 3307 1 5 . 1 1 115 115 LYS CA C 115 52.848 52.848 55.514 -2.666 25852 3308 1 5 . 1 1 115 115 LYS CB C 115 30.518 30.518 33.587 -3.069 25852 3309 1 5 . 1 1 115 115 LYS H H 115 8.591 8.591 8.390 0.201 25852 3310 1 5 . 1 1 116 116 LEU N N 116 124.724 124.724 125.504 -0.780 25852 3311 1 5 . 1 1 116 116 LEU HA H 116 4.690 4.690 4.827 -0.137 25852 3312 1 5 . 1 1 116 116 LEU CA C 116 51.089 51.089 54.004 -2.915 25852 3313 1 5 . 1 1 116 116 LEU CB C 116 42.588 42.588 44.883 -2.296 25852 3314 1 5 . 1 1 116 116 LEU H H 116 8.066 8.066 8.419 -0.353 25852 3315 1 5 . 1 1 117 117 THR N N 117 113.912 113.912 118.028 -4.116 25852 3316 1 5 . 1 1 117 117 THR HA H 117 4.302 4.302 4.340 -0.038 25852 3317 1 5 . 1 1 117 117 THR CA C 117 57.834 57.834 61.406 -3.572 25852 3318 1 5 . 1 1 117 117 THR CB C 117 68.580 68.580 70.901 -2.321 25852 3319 1 5 . 1 1 117 117 THR H H 117 9.165 9.165 8.975 0.190 25852 3320 1 5 . 1 1 118 118 ASP N N 118 120.787 120.787 119.699 1.088 25852 3321 1 5 . 1 1 118 118 ASP HA H 118 4.061 4.061 4.462 -0.401 25852 3322 1 5 . 1 1 118 118 ASP CA C 118 55.243 55.243 57.495 -2.252 25852 3323 1 5 . 1 1 118 118 ASP CB C 118 37.002 37.002 41.011 -4.009 25852 3324 1 5 . 1 1 118 118 ASP H H 118 8.860 8.860 8.718 0.142 25852 3325 1 5 . 1 1 119 119 GLU N N 119 119.091 119.091 117.261 1.830 25852 3326 1 5 . 1 1 119 119 GLU HA H 119 3.892 3.892 4.442 -0.550 25852 3327 1 5 . 1 1 119 119 GLU CA C 119 57.149 57.149 57.278 -0.129 25852 3328 1 5 . 1 1 119 119 GLU CB C 119 25.931 25.931 29.415 -3.484 25852 3329 1 5 . 1 1 119 119 GLU H H 119 8.618 8.618 8.635 -0.017 25852 3330 1 5 . 1 1 120 120 GLU N N 120 120.037 120.037 117.811 2.226 25852 3331 1 5 . 1 1 120 120 GLU HA H 120 3.880 3.880 4.215 -0.335 25852 3332 1 5 . 1 1 120 120 GLU CA C 120 56.319 56.319 57.763 -1.444 25852 3333 1 5 . 1 1 120 120 GLU CB C 120 25.830 25.830 29.777 -3.947 25852 3334 1 5 . 1 1 120 120 GLU H H 120 7.659 7.659 8.583 -0.924 25852 3335 1 5 . 1 1 121 121 VAL N N 121 122.512 122.512 115.096 7.416 25852 3336 1 5 . 1 1 121 121 VAL HA H 121 3.385 3.385 4.106 -0.721 25852 3337 1 5 . 1 1 121 121 VAL CA C 121 64.090 64.090 63.920 0.170 25852 3338 1 5 . 1 1 121 121 VAL CB C 121 28.680 28.680 32.039 -3.359 25852 3339 1 5 . 1 1 121 121 VAL H H 121 7.887 7.887 7.300 0.587 25852 3340 1 5 . 1 1 122 122 ASP N N 122 119.993 119.993 119.964 0.029 25852 3341 1 5 . 1 1 122 122 ASP HA H 122 4.157 4.157 4.481 -0.324 25852 3342 1 5 . 1 1 122 122 ASP CA C 122 54.901 54.901 56.237 -1.336 25852 3343 1 5 . 1 1 122 122 ASP CB C 122 37.572 37.572 39.358 -1.786 25852 3344 1 5 . 1 1 122 122 ASP H H 122 7.973 7.973 8.567 -0.594 25852 3345 1 5 . 1 1 123 123 GLU N N 123 119.521 119.521 112.909 6.612 25852 3346 1 5 . 1 1 123 123 GLU HA H 123 3.880 3.880 4.480 -0.600 25852 3347 1 5 . 1 1 123 123 GLU CA C 123 56.612 56.612 56.453 0.160 25852 3348 1 5 . 1 1 123 123 GLU CB C 123 26.172 26.172 31.026 -4.854 25852 3349 1 5 . 1 1 123 123 GLU H H 123 7.903 7.903 7.885 0.018 25852 3350 1 5 . 1 1 124 124 MET N N 124 118.961 118.961 119.433 -0.472 25852 3351 1 5 . 1 1 124 124 MET HA H 124 3.892 3.892 4.430 -0.538 25852 3352 1 5 . 1 1 124 124 MET CA C 124 56.905 56.905 58.333 -1.428 25852 3353 1 5 . 1 1 124 124 MET CB C 124 29.250 29.250 33.858 -4.608 25852 3354 1 5 . 1 1 124 124 MET H H 124 7.496 7.496 7.726 -0.230 25852 3355 1 5 . 1 1 125 125 ILE N N 125 117.801 117.801 118.845 -1.044 25852 3356 1 5 . 1 1 125 125 ILE HA H 125 3.409 3.409 3.910 -0.501 25852 3357 1 5 . 1 1 125 125 ILE CA C 125 60.131 60.131 64.400 -4.269 25852 3358 1 5 . 1 1 125 125 ILE CB C 125 33.240 33.240 38.308 -5.068 25852 3359 1 5 . 1 1 125 125 ILE H H 125 7.762 7.762 7.480 0.282 25852 3360 1 5 . 1 1 126 126 ARG N N 126 117.729 117.729 118.679 -0.950 25852 3361 1 5 . 1 1 126 126 ARG HA H 126 3.883 3.883 4.019 -0.136 25852 3362 1 5 . 1 1 126 126 ARG CA C 126 56.673 56.673 59.423 -2.750 25852 3363 1 5 . 1 1 126 126 ARG CB C 126 29.478 29.478 29.768 -0.290 25852 3364 1 5 . 1 1 126 126 ARG H H 126 8.055 8.055 8.658 -0.603 25852 3365 1 5 . 1 1 127 127 GLU N N 127 117.539 117.539 115.825 1.714 25852 3366 1 5 . 1 1 127 127 GLU HA H 127 3.861 3.861 4.147 -0.286 25852 3367 1 5 . 1 1 127 127 GLU CA C 127 56.319 56.319 58.455 -2.136 25852 3368 1 5 . 1 1 127 127 GLU CB C 127 26.286 26.286 29.446 -3.160 25852 3369 1 5 . 1 1 127 127 GLU H H 127 7.700 7.700 8.306 -0.606 25852 3370 1 5 . 1 1 128 128 ALA N N 128 116.677 116.677 119.012 -2.335 25852 3371 1 5 . 1 1 128 128 ALA HA H 128 4.500 4.500 4.384 0.116 25852 3372 1 5 . 1 1 128 128 ALA CA C 128 48.205 48.205 51.939 -3.734 25852 3373 1 5 . 1 1 128 128 ALA CB C 128 19.633 19.633 20.858 -1.225 25852 3374 1 5 . 1 1 128 128 ALA H H 128 7.223 7.223 7.556 -0.333 25852 3375 1 5 . 1 1 129 129 ASP N N 129 118.030 118.030 119.251 -1.221 25852 3376 1 5 . 1 1 129 129 ASP HA H 129 4.460 4.460 4.678 -0.218 25852 3377 1 5 . 1 1 129 129 ASP CA C 129 51.485 51.485 56.089 -4.604 25852 3378 1 5 . 1 1 129 129 ASP CB C 129 38.195 38.195 41.212 -3.017 25852 3379 1 5 . 1 1 129 129 ASP H H 129 7.895 7.895 8.395 -0.500 25852 3380 1 5 . 1 1 130 130 ILE N N 130 127.693 127.693 126.604 1.089 25852 3381 1 5 . 1 1 130 130 ILE HA H 130 3.797 3.797 4.115 -0.318 25852 3382 1 5 . 1 1 130 130 ILE CA C 130 60.522 60.522 62.442 -1.920 25852 3383 1 5 . 1 1 130 130 ILE CB C 130 36.090 36.090 38.102 -2.012 25852 3384 1 5 . 1 1 130 130 ILE H H 130 8.148 8.148 9.290 -1.142 25852 3385 1 5 . 1 1 131 131 ASP N N 131 116.409 116.409 119.146 -2.737 25852 3386 1 5 . 1 1 131 131 ASP HA H 131 4.376 4.376 4.723 -0.346 25852 3387 1 5 . 1 1 131 131 ASP CA C 131 51.187 51.187 54.456 -3.269 25852 3388 1 5 . 1 1 131 131 ASP CB C 131 37.468 37.468 42.294 -4.826 25852 3389 1 5 . 1 1 131 131 ASP H H 131 8.288 8.288 7.981 0.307 25852 3390 1 5 . 1 1 132 132 GLY N N 132 108.363 108.363 108.375 -0.012 25852 3391 1 5 . 1 1 132 132 GLY CA C 132 44.638 44.638 45.126 -0.488 25852 3392 1 5 . 1 1 132 132 GLY H H 132 7.630 7.630 7.834 -0.204 25852 3393 1 5 . 1 1 133 133 ASP N N 133 120.183 120.183 120.164 0.019 25852 3394 1 5 . 1 1 133 133 ASP HA H 133 4.329 4.329 4.557 -0.228 25852 3395 1 5 . 1 1 133 133 ASP CA C 133 50.942 50.942 55.361 -4.419 25852 3396 1 5 . 1 1 133 133 ASP CB C 133 37.458 37.458 41.734 -4.276 25852 3397 1 5 . 1 1 133 133 ASP H H 133 8.298 8.298 8.816 -0.517 25852 3398 1 5 . 1 1 134 134 GLY N N 134 112.149 112.149 108.482 3.667 25852 3399 1 5 . 1 1 134 134 GLY CA C 134 43.122 43.122 44.978 -1.856 25852 3400 1 5 . 1 1 134 134 GLY H H 134 10.079 10.079 8.123 1.956 25852 3401 1 5 . 1 1 135 135 GLN N N 135 115.069 115.069 117.992 -2.923 25852 3402 1 5 . 1 1 135 135 GLN HA H 135 4.844 4.844 4.572 0.272 25852 3403 1 5 . 1 1 135 135 GLN CA C 135 50.454 50.454 53.946 -3.492 25852 3404 1 5 . 1 1 135 135 GLN CB C 135 30.614 30.614 31.357 -0.743 25852 3405 1 5 . 1 1 135 135 GLN H H 135 7.922 7.922 7.575 0.347 25852 3406 1 5 . 1 1 136 136 VAL N N 136 125.107 125.107 124.901 0.206 25852 3407 1 5 . 1 1 136 136 VAL HA H 136 5.096 5.096 4.768 0.328 25852 3408 1 5 . 1 1 136 136 VAL CA C 136 58.713 58.713 61.509 -2.796 25852 3409 1 5 . 1 1 136 136 VAL CB C 136 31.416 31.416 33.558 -2.142 25852 3410 1 5 . 1 1 136 136 VAL H H 136 9.046 9.046 8.441 0.605 25852 3411 1 5 . 1 1 137 137 ASN N N 137 128.858 128.858 124.561 4.297 25852 3412 1 5 . 1 1 137 137 ASN HA H 137 5.226 5.226 5.102 0.124 25852 3413 1 5 . 1 1 137 137 ASN CA C 137 48.352 48.352 52.367 -4.015 25852 3414 1 5 . 1 1 137 137 ASN CB C 137 35.640 35.640 40.750 -5.110 25852 3415 1 5 . 1 1 137 137 ASN H H 137 9.458 9.458 9.220 0.238 25852 3416 1 5 . 1 1 138 138 TYR N N 138 118.481 118.481 120.212 -1.731 25852 3417 1 5 . 1 1 138 138 TYR HA H 138 3.603 3.603 4.289 -0.686 25852 3418 1 5 . 1 1 138 138 TYR CA C 138 59.669 59.669 62.486 -2.817 25852 3419 1 5 . 1 1 138 138 TYR CB C 138 37.572 37.572 37.651 -0.079 25852 3420 1 5 . 1 1 138 138 TYR H H 138 8.235 8.235 9.214 -0.979 25852 3421 1 5 . 1 1 139 139 GLU N N 139 118.474 118.474 118.490 -0.016 25852 3422 1 5 . 1 1 139 139 GLU HA H 139 3.868 3.868 4.089 -0.221 25852 3423 1 5 . 1 1 139 139 GLU CA C 139 57.540 57.540 59.455 -1.915 25852 3424 1 5 . 1 1 139 139 GLU CB C 139 26.274 26.274 28.564 -2.290 25852 3425 1 5 . 1 1 139 139 GLU H H 139 8.067 8.067 9.124 -1.057 25852 3426 1 5 . 1 1 140 140 GLU N N 140 119.279 119.279 118.888 0.391 25852 3427 1 5 . 1 1 140 140 GLU HA H 140 3.880 3.880 4.260 -0.380 25852 3428 1 5 . 1 1 140 140 GLU CA C 140 56.025 56.025 58.340 -2.316 25852 3429 1 5 . 1 1 140 140 GLU CB C 140 26.274 26.274 29.683 -3.409 25852 3430 1 5 . 1 1 140 140 GLU H H 140 8.742 8.742 8.542 0.200 25852 3431 1 5 . 1 1 141 141 PHE N N 141 124.141 124.141 119.893 4.248 25852 3432 1 5 . 1 1 141 141 PHE HA H 141 3.602 3.602 4.192 -0.590 25852 3433 1 5 . 1 1 141 141 PHE CA C 141 59.447 59.447 60.666 -1.219 25852 3434 1 5 . 1 1 141 141 PHE CB C 141 37.686 37.686 39.367 -1.681 25852 3435 1 5 . 1 1 141 141 PHE H H 141 8.593 8.593 7.693 0.900 25852 3436 1 5 . 1 1 142 142 VAL N N 142 118.383 118.383 118.407 -0.024 25852 3437 1 5 . 1 1 142 142 VAL HA H 142 2.986 2.986 3.777 -0.791 25852 3438 1 5 . 1 1 142 142 VAL CA C 142 64.432 64.432 65.832 -1.400 25852 3439 1 5 . 1 1 142 142 VAL CB C 142 28.908 28.908 31.744 -2.836 25852 3440 1 5 . 1 1 142 142 VAL H H 142 8.776 8.776 8.326 0.450 25852 3441 1 5 . 1 1 143 143 GLN N N 143 119.891 119.891 118.022 1.869 25852 3442 1 5 . 1 1 143 143 GLN HA H 143 3.671 3.671 4.143 -0.472 25852 3443 1 5 . 1 1 143 143 GLN CA C 143 56.514 56.514 58.308 -1.794 25852 3444 1 5 . 1 1 143 143 GLN CB C 143 25.246 25.246 28.679 -3.433 25852 3445 1 5 . 1 1 143 143 GLN H H 143 7.787 7.787 7.742 0.045 25852 3446 1 5 . 1 1 144 144 MET N N 144 118.429 118.429 115.714 2.715 25852 3447 1 5 . 1 1 144 144 MET HA H 144 3.892 3.892 4.358 -0.466 25852 3448 1 5 . 1 1 144 144 MET CA C 144 55.683 55.683 55.764 -0.081 25852 3449 1 5 . 1 1 144 144 MET CB C 144 28.110 28.110 31.904 -3.794 25852 3450 1 5 . 1 1 144 144 MET H H 144 7.450 7.450 7.547 -0.097 25852 3451 1 5 . 1 1 145 145 MET N N 145 114.145 114.145 115.914 -1.769 25852 3452 1 5 . 1 1 145 145 MET HA H 145 3.905 3.905 4.388 -0.483 25852 3453 1 5 . 1 1 145 145 MET CA C 145 53.630 53.630 57.752 -4.122 25852 3454 1 5 . 1 1 145 145 MET CB C 145 29.592 29.592 32.930 -3.338 25852 3455 1 5 . 1 1 145 145 MET H H 145 7.724 7.724 7.586 0.138 25852 3456 1 5 . 1 1 146 146 THR N N 146 108.482 108.482 112.507 -4.025 25852 3457 1 5 . 1 1 146 146 THR HA H 146 4.170 4.170 4.366 -0.196 25852 3458 1 5 . 1 1 146 146 THR CA C 146 59.251 59.251 61.572 -2.321 25852 3459 1 5 . 1 1 146 146 THR CB C 146 67.896 67.896 69.091 -1.195 25852 3460 1 5 . 1 1 146 146 THR H H 146 7.700 7.700 7.420 0.280 25852 3461 1 5 . 1 1 147 147 ALA N N 147 126.469 126.469 126.675 -0.206 25852 3462 1 5 . 1 1 147 147 ALA HA H 147 4.095 4.095 3.824 0.271 25852 3463 1 5 . 1 1 147 147 ALA CA C 147 50.307 50.307 54.290 -3.983 25852 3464 1 5 . 1 1 147 147 ALA CB C 147 16.336 16.336 18.357 -2.021 25852 3465 1 5 . 1 1 147 147 ALA H H 147 7.291 7.291 8.562 -1.271 25852 3466 1 6 . 1 1 3 3 GLN N N 3 118.120 118.120 120.965 -2.845 25852 3467 1 6 . 1 1 3 3 GLN HA H 3 4.688 4.688 4.341 0.347 25852 3468 1 6 . 1 1 3 3 GLN CA C 3 53.500 53.500 55.710 -2.210 25852 3469 1 6 . 1 1 3 3 GLN CB C 3 29.475 29.475 29.492 -0.017 25852 3470 1 6 . 1 1 3 3 GLN H H 3 8.134 8.134 8.443 -0.309 25852 3471 1 6 . 1 1 4 4 LEU N N 4 121.407 121.407 120.964 0.443 25852 3472 1 6 . 1 1 4 4 LEU HA H 4 4.460 4.460 4.569 -0.109 25852 3473 1 6 . 1 1 4 4 LEU CA C 4 51.650 51.650 53.605 -1.956 25852 3474 1 6 . 1 1 4 4 LEU CB C 4 40.715 40.715 42.273 -1.558 25852 3475 1 6 . 1 1 4 4 LEU H H 4 8.202 8.202 8.242 -0.040 25852 3476 1 6 . 1 1 5 5 THR N N 5 112.733 112.733 110.030 2.703 25852 3477 1 6 . 1 1 5 5 THR HA H 5 4.265 4.265 4.488 -0.223 25852 3478 1 6 . 1 1 5 5 THR CA C 5 59.433 59.433 60.222 -0.789 25852 3479 1 6 . 1 1 5 5 THR CB C 5 67.475 67.475 69.957 -2.482 25852 3480 1 6 . 1 1 5 5 THR H H 5 8.691 8.691 7.765 0.926 25852 3481 1 6 . 1 1 6 6 GLU N N 6 119.971 119.971 119.993 -0.022 25852 3482 1 6 . 1 1 6 6 GLU HA H 6 3.854 3.854 3.917 -0.063 25852 3483 1 6 . 1 1 6 6 GLU CA C 6 56.756 56.756 59.567 -2.811 25852 3484 1 6 . 1 1 6 6 GLU CB C 6 26.508 26.508 29.293 -2.785 25852 3485 1 6 . 1 1 6 6 GLU H H 6 8.953 8.953 8.846 0.107 25852 3486 1 6 . 1 1 7 7 GLU N N 7 119.133 119.133 118.300 0.833 25852 3487 1 6 . 1 1 7 7 GLU HA H 7 3.898 3.898 3.954 -0.056 25852 3488 1 6 . 1 1 7 7 GLU CA C 7 56.756 56.756 58.866 -2.110 25852 3489 1 6 . 1 1 7 7 GLU CB C 7 26.279 26.279 28.786 -2.507 25852 3490 1 6 . 1 1 7 7 GLU H H 7 8.653 8.653 8.269 0.384 25852 3491 1 6 . 1 1 8 8 GLN N N 8 120.207 120.207 119.512 0.695 25852 3492 1 6 . 1 1 8 8 GLN HA H 8 3.957 3.957 4.142 -0.185 25852 3493 1 6 . 1 1 8 8 GLN CA C 8 57.099 57.099 58.511 -1.412 25852 3494 1 6 . 1 1 8 8 GLN CB C 8 26.737 26.737 28.451 -1.714 25852 3495 1 6 . 1 1 8 8 GLN H H 8 7.645 7.645 7.793 -0.148 25852 3496 1 6 . 1 1 9 9 ILE N N 9 118.171 118.171 120.103 -1.932 25852 3497 1 6 . 1 1 9 9 ILE HA H 9 3.354 3.354 3.155 0.199 25852 3498 1 6 . 1 1 9 9 ILE CA C 9 62.714 62.714 64.562 -1.848 25852 3499 1 6 . 1 1 9 9 ILE CB C 9 35.216 35.216 37.747 -2.531 25852 3500 1 6 . 1 1 9 9 ILE H H 9 8.153 8.153 7.199 0.954 25852 3501 1 6 . 1 1 10 10 ALA N N 10 120.124 120.124 120.809 -0.685 25852 3502 1 6 . 1 1 10 10 ALA HA H 10 3.966 3.966 4.258 -0.292 25852 3503 1 6 . 1 1 10 10 ALA CA C 10 52.746 52.746 54.785 -2.039 25852 3504 1 6 . 1 1 10 10 ALA CB C 10 15.165 15.165 19.002 -3.837 25852 3505 1 6 . 1 1 10 10 ALA H H 10 7.835 7.835 8.303 -0.468 25852 3506 1 6 . 1 1 11 11 GLU N N 11 119.983 119.983 116.431 3.552 25852 3507 1 6 . 1 1 11 11 GLU HA H 11 3.904 3.904 5.071 -1.167 25852 3508 1 6 . 1 1 11 11 GLU CA C 11 56.560 56.560 56.939 -0.379 25852 3509 1 6 . 1 1 11 11 GLU CB C 11 27.425 27.425 31.264 -3.839 25852 3510 1 6 . 1 1 11 11 GLU H H 11 7.706 7.706 7.886 -0.180 25852 3511 1 6 . 1 1 12 12 PHE N N 12 119.907 119.907 119.586 0.321 25852 3512 1 6 . 1 1 12 12 PHE HA H 12 4.726 4.726 4.540 0.186 25852 3513 1 6 . 1 1 12 12 PHE CA C 12 55.839 55.839 58.773 -2.934 25852 3514 1 6 . 1 1 12 12 PHE CB C 12 33.955 33.955 38.810 -4.855 25852 3515 1 6 . 1 1 12 12 PHE H H 12 8.728 8.728 8.757 -0.029 25852 3516 1 6 . 1 1 13 13 LYS N N 13 121.208 121.208 119.496 1.712 25852 3517 1 6 . 1 1 13 13 LYS HA H 13 3.904 3.904 3.745 0.159 25852 3518 1 6 . 1 1 13 13 LYS CA C 13 57.290 57.290 58.718 -1.428 25852 3519 1 6 . 1 1 13 13 LYS CB C 13 30.174 30.174 32.925 -2.751 25852 3520 1 6 . 1 1 13 13 LYS H H 13 9.161 9.161 8.353 0.808 25852 3521 1 6 . 1 1 14 14 GLU N N 14 120.226 120.226 120.228 -0.002 25852 3522 1 6 . 1 1 14 14 GLU HA H 14 3.953 3.953 4.232 -0.279 25852 3523 1 6 . 1 1 14 14 GLU CA C 14 56.460 56.460 58.599 -2.139 25852 3524 1 6 . 1 1 14 14 GLU CB C 14 26.623 26.623 29.229 -2.606 25852 3525 1 6 . 1 1 14 14 GLU H H 14 7.980 7.980 8.046 -0.066 25852 3526 1 6 . 1 1 15 15 ALA N N 15 120.572 120.572 122.078 -1.506 25852 3527 1 6 . 1 1 15 15 ALA HA H 15 4.170 4.170 4.056 0.114 25852 3528 1 6 . 1 1 15 15 ALA CA C 15 52.750 52.750 54.704 -1.954 25852 3529 1 6 . 1 1 15 15 ALA CB C 15 16.425 16.425 18.222 -1.797 25852 3530 1 6 . 1 1 15 15 ALA H H 15 7.563 7.563 8.506 -0.943 25852 3531 1 6 . 1 1 16 16 PHE N N 16 117.784 117.784 116.078 1.706 25852 3532 1 6 . 1 1 16 16 PHE HA H 16 3.904 3.904 4.312 -0.408 25852 3533 1 6 . 1 1 16 16 PHE CA C 16 59.540 59.540 59.885 -0.345 25852 3534 1 6 . 1 1 16 16 PHE CB C 16 36.820 36.820 40.194 -3.374 25852 3535 1 6 . 1 1 16 16 PHE H H 16 8.453 8.453 7.450 1.003 25852 3536 1 6 . 1 1 17 17 SER N N 17 110.774 110.774 115.388 -4.614 25852 3537 1 6 . 1 1 17 17 SER HA H 17 4.086 4.086 4.595 -0.509 25852 3538 1 6 . 1 1 17 17 SER CA C 17 58.560 58.560 59.800 -1.240 25852 3539 1 6 . 1 1 17 17 SER CB C 17 60.651 60.651 63.725 -3.074 25852 3540 1 6 . 1 1 17 17 SER H H 17 8.351 8.351 7.886 0.465 25852 3541 1 6 . 1 1 18 18 LEU N N 18 120.947 120.947 120.649 0.298 25852 3542 1 6 . 1 1 18 18 LEU HA H 18 3.614 3.614 4.014 -0.400 25852 3543 1 6 . 1 1 18 18 LEU CA C 18 55.839 55.839 58.072 -2.233 25852 3544 1 6 . 1 1 18 18 LEU CB C 18 39.111 39.111 42.569 -3.458 25852 3545 1 6 . 1 1 18 18 LEU H H 18 7.278 7.278 8.395 -1.117 25852 3546 1 6 . 1 1 19 19 PHE N N 19 114.458 114.458 112.851 1.607 25852 3547 1 6 . 1 1 19 19 PHE HA H 19 3.904 3.904 4.532 -0.628 25852 3548 1 6 . 1 1 19 19 PHE CA C 19 56.870 56.870 57.508 -0.638 25852 3549 1 6 . 1 1 19 19 PHE CB C 19 33.841 33.841 41.793 -7.952 25852 3550 1 6 . 1 1 19 19 PHE H H 19 7.304 7.304 7.481 -0.177 25852 3551 1 6 . 1 1 20 20 ASP N N 20 122.233 122.233 121.309 0.924 25852 3552 1 6 . 1 1 20 20 ASP HA H 20 4.874 4.874 4.454 0.420 25852 3553 1 6 . 1 1 20 20 ASP CA C 20 50.454 50.454 52.948 -2.494 25852 3554 1 6 . 1 1 20 20 ASP CB C 20 37.622 37.622 37.922 -0.300 25852 3555 1 6 . 1 1 20 20 ASP H H 20 7.233 7.233 7.963 -0.730 25852 3556 1 6 . 1 1 21 21 LYS N N 21 123.433 123.433 119.237 4.196 25852 3557 1 6 . 1 1 21 21 LYS HA H 21 3.771 3.771 4.185 -0.414 25852 3558 1 6 . 1 1 21 21 LYS CA C 21 56.025 56.025 56.984 -0.959 25852 3559 1 6 . 1 1 21 21 LYS CB C 21 29.601 29.601 32.313 -2.712 25852 3560 1 6 . 1 1 21 21 LYS H H 21 8.007 8.007 7.965 0.042 25852 3561 1 6 . 1 1 22 22 ASP N N 22 116.890 116.890 120.167 -3.277 25852 3562 1 6 . 1 1 22 22 ASP HA H 22 4.400 4.400 4.489 -0.089 25852 3563 1 6 . 1 1 22 22 ASP CA C 22 50.683 50.683 55.055 -4.372 25852 3564 1 6 . 1 1 22 22 ASP CB C 22 37.049 37.049 41.063 -4.014 25852 3565 1 6 . 1 1 22 22 ASP H H 22 8.641 8.641 8.208 0.433 25852 3566 1 6 . 1 1 23 23 GLY N N 23 110.068 110.068 106.789 3.279 25852 3567 1 6 . 1 1 23 23 GLY CA C 23 43.745 43.745 45.254 -1.508 25852 3568 1 6 . 1 1 23 23 GLY H H 23 7.938 7.938 8.297 -0.359 25852 3569 1 6 . 1 1 24 24 ASP N N 24 120.219 120.219 119.146 1.073 25852 3570 1 6 . 1 1 24 24 ASP HA H 24 4.367 4.367 4.691 -0.324 25852 3571 1 6 . 1 1 24 24 ASP CA C 24 51.040 51.040 53.548 -2.508 25852 3572 1 6 . 1 1 24 24 ASP CB C 24 37.438 37.438 41.132 -3.693 25852 3573 1 6 . 1 1 24 24 ASP H H 24 8.723 8.723 8.218 0.505 25852 3574 1 6 . 1 1 25 25 GLY N N 25 111.889 111.889 109.334 2.555 25852 3575 1 6 . 1 1 25 25 GLY CA C 25 42.680 42.680 45.569 -2.889 25852 3576 1 6 . 1 1 25 25 GLY H H 25 10.132 10.132 8.453 1.679 25852 3577 1 6 . 1 1 26 26 THR N N 26 109.844 109.844 116.392 -6.548 25852 3578 1 6 . 1 1 26 26 THR HA H 26 5.386 5.386 4.286 1.100 25852 3579 1 6 . 1 1 26 26 THR CA C 26 56.950 56.950 60.325 -3.375 25852 3580 1 6 . 1 1 26 26 THR CB C 26 70.234 70.234 71.528 -1.294 25852 3581 1 6 . 1 1 26 26 THR H H 26 7.507 7.507 7.738 -0.231 25852 3582 1 6 . 1 1 27 27 ILE N N 27 110.289 110.289 116.316 -6.027 25852 3583 1 6 . 1 1 27 27 ILE HA H 27 3.891 3.891 4.271 -0.380 25852 3584 1 6 . 1 1 27 27 ILE CA C 27 58.360 58.360 60.545 -2.185 25852 3585 1 6 . 1 1 27 27 ILE CB C 27 35.559 35.559 38.200 -2.641 25852 3586 1 6 . 1 1 27 27 ILE H H 27 8.191 8.191 8.073 0.118 25852 3587 1 6 . 1 1 28 28 THR N N 28 110.507 110.507 114.709 -4.202 25852 3588 1 6 . 1 1 28 28 THR HA H 28 4.895 4.895 4.613 0.282 25852 3589 1 6 . 1 1 28 28 THR CA C 28 57.787 57.787 61.820 -4.033 25852 3590 1 6 . 1 1 28 28 THR CB C 28 68.099 68.099 69.959 -1.859 25852 3591 1 6 . 1 1 28 28 THR H H 28 8.265 8.265 8.514 -0.249 25852 3592 1 6 . 1 1 29 29 THR N N 29 112.331 112.331 114.339 -2.008 25852 3593 1 6 . 1 1 29 29 THR HA H 29 3.941 3.941 4.134 -0.193 25852 3594 1 6 . 1 1 29 29 THR CA C 29 63.840 63.840 65.136 -1.296 25852 3595 1 6 . 1 1 29 29 THR CB C 29 65.807 65.807 68.808 -3.001 25852 3596 1 6 . 1 1 29 29 THR H H 29 8.225 8.225 8.302 -0.077 25852 3597 1 6 . 1 1 30 30 LYS N N 30 118.985 118.985 121.422 -2.437 25852 3598 1 6 . 1 1 30 30 LYS HA H 30 3.965 3.965 4.043 -0.078 25852 3599 1 6 . 1 1 30 30 LYS CA C 30 55.839 55.839 58.712 -2.873 25852 3600 1 6 . 1 1 30 30 LYS CB C 30 29.372 29.372 32.000 -2.628 25852 3601 1 6 . 1 1 30 30 LYS H H 30 7.559 7.559 8.590 -1.031 25852 3602 1 6 . 1 1 31 31 GLU N N 31 117.233 117.233 114.801 2.432 25852 3603 1 6 . 1 1 31 31 GLU HA H 31 3.965 3.965 4.120 -0.155 25852 3604 1 6 . 1 1 31 31 GLU CA C 31 57.140 57.140 56.389 0.751 25852 3605 1 6 . 1 1 31 31 GLU CB C 31 26.393 26.393 30.201 -3.808 25852 3606 1 6 . 1 1 31 31 GLU H H 31 7.431 7.431 7.751 -0.320 25852 3607 1 6 . 1 1 32 32 LEU N N 32 120.701 120.701 122.780 -2.079 25852 3608 1 6 . 1 1 32 32 LEU HA H 32 3.880 3.880 3.862 0.018 25852 3609 1 6 . 1 1 32 32 LEU CA C 32 55.520 55.520 58.230 -2.710 25852 3610 1 6 . 1 1 32 32 LEU CB C 32 39.226 39.226 41.734 -2.508 25852 3611 1 6 . 1 1 32 32 LEU H H 32 7.270 7.270 7.778 -0.508 25852 3612 1 6 . 1 1 33 33 GLY N N 33 105.217 105.217 104.274 0.943 25852 3613 1 6 . 1 1 33 33 GLY CA C 33 45.642 45.642 47.772 -2.130 25852 3614 1 6 . 1 1 33 33 GLY H H 33 8.737 8.737 8.158 0.579 25852 3615 1 6 . 1 1 34 34 THR N N 34 118.196 118.196 118.408 -0.212 25852 3616 1 6 . 1 1 34 34 THR HA H 34 3.916 3.916 4.055 -0.139 25852 3617 1 6 . 1 1 34 34 THR CA C 34 63.859 63.859 66.591 -2.732 25852 3618 1 6 . 1 1 34 34 THR CB C 34 65.807 65.807 68.347 -2.540 25852 3619 1 6 . 1 1 34 34 THR H H 34 7.446 7.446 7.363 0.083 25852 3620 1 6 . 1 1 35 35 VAL N N 35 122.546 122.546 121.170 1.376 25852 3621 1 6 . 1 1 35 35 VAL HA H 35 3.373 3.373 3.883 -0.510 25852 3622 1 6 . 1 1 35 35 VAL CA C 35 64.088 64.088 65.298 -1.210 25852 3623 1 6 . 1 1 35 35 VAL CB C 35 28.799 28.799 30.959 -2.160 25852 3624 1 6 . 1 1 35 35 VAL H H 35 7.889 7.889 7.399 0.490 25852 3625 1 6 . 1 1 36 36 MET N N 36 118.307 118.307 118.376 -0.069 25852 3626 1 6 . 1 1 36 36 MET HA H 36 3.880 3.880 4.422 -0.542 25852 3627 1 6 . 1 1 36 36 MET CA C 36 56.870 56.870 59.139 -2.269 25852 3628 1 6 . 1 1 36 36 MET CB C 36 26.279 26.279 32.975 -6.696 25852 3629 1 6 . 1 1 36 36 MET H H 36 8.386 8.386 8.122 0.264 25852 3630 1 6 . 1 1 37 37 ARG N N 37 119.233 119.233 118.842 0.391 25852 3631 1 6 . 1 1 37 37 ARG HA H 37 3.904 3.904 4.462 -0.558 25852 3632 1 6 . 1 1 37 37 ARG CA C 37 56.170 56.170 58.830 -2.660 25852 3633 1 6 . 1 1 37 37 ARG CB C 37 27.310 27.310 30.312 -3.002 25852 3634 1 6 . 1 1 37 37 ARG H H 37 8.451 8.451 8.296 0.155 25852 3635 1 6 . 1 1 38 38 SER N N 38 118.720 118.720 116.948 1.772 25852 3636 1 6 . 1 1 38 38 SER HA H 38 4.176 4.176 4.334 -0.158 25852 3637 1 6 . 1 1 38 38 SER CA C 38 59.250 59.250 61.340 -2.090 25852 3638 1 6 . 1 1 38 38 SER CB C 38 67.411 67.411 63.001 4.410 25852 3639 1 6 . 1 1 38 38 SER H H 38 8.040 8.040 8.281 -0.241 25852 3640 1 6 . 1 1 39 39 LEU N N 39 120.896 120.896 119.516 1.380 25852 3641 1 6 . 1 1 39 39 LEU HA H 39 4.460 4.460 4.540 -0.080 25852 3642 1 6 . 1 1 39 39 LEU CA C 39 51.330 51.330 55.310 -3.980 25852 3643 1 6 . 1 1 39 39 LEU CB C 39 40.257 40.257 42.741 -2.484 25852 3644 1 6 . 1 1 39 39 LEU H H 39 7.263 7.263 7.431 -0.168 25852 3645 1 6 . 1 1 40 40 GLY N N 40 106.917 106.917 106.777 0.140 25852 3646 1 6 . 1 1 40 40 GLY CA C 40 42.880 42.880 44.642 -1.762 25852 3647 1 6 . 1 1 40 40 GLY H H 40 7.841 7.841 7.949 -0.108 25852 3648 1 6 . 1 1 41 41 GLN N N 41 117.171 117.171 120.264 -3.093 25852 3649 1 6 . 1 1 41 41 GLN HA H 41 4.243 4.243 4.286 -0.043 25852 3650 1 6 . 1 1 41 41 GLN CA C 41 52.631 52.631 55.668 -3.037 25852 3651 1 6 . 1 1 41 41 GLN CB C 41 30.747 30.747 29.793 0.954 25852 3652 1 6 . 1 1 41 41 GLN H H 41 7.687 7.687 7.683 0.004 25852 3653 1 6 . 1 1 42 42 ASN N N 42 116.423 116.423 120.668 -4.245 25852 3654 1 6 . 1 1 42 42 ASN HA H 42 5.016 5.016 5.061 -0.045 25852 3655 1 6 . 1 1 42 42 ASN CA C 42 48.640 48.640 50.361 -1.721 25852 3656 1 6 . 1 1 42 42 ASN CB C 42 36.591 36.591 39.003 -2.412 25852 3657 1 6 . 1 1 42 42 ASN H H 42 8.601 8.601 8.735 -0.134 25852 3658 1 6 . 1 1 44 44 THR N N 44 113.033 113.033 114.804 -1.771 25852 3659 1 6 . 1 1 44 44 THR HA H 44 4.279 4.279 4.535 -0.256 25852 3660 1 6 . 1 1 44 44 THR CA C 44 57.640 57.640 61.091 -3.451 25852 3661 1 6 . 1 1 44 44 THR CB C 44 68.328 68.328 71.104 -2.776 25852 3662 1 6 . 1 1 44 44 THR H H 44 8.711 8.711 8.260 0.451 25852 3663 1 6 . 1 1 45 45 GLU N N 45 120.233 120.233 121.726 -1.493 25852 3664 1 6 . 1 1 45 45 GLU HA H 45 3.892 3.892 4.209 -0.317 25852 3665 1 6 . 1 1 45 45 GLU CA C 45 56.756 56.756 58.646 -1.890 25852 3666 1 6 . 1 1 45 45 GLU CB C 45 26.393 26.393 29.502 -3.109 25852 3667 1 6 . 1 1 45 45 GLU H H 45 8.781 8.781 8.908 -0.127 25852 3668 1 6 . 1 1 46 46 ALA N N 46 120.833 120.833 122.535 -1.702 25852 3669 1 6 . 1 1 46 46 ALA HA H 46 3.868 3.868 4.453 -0.585 25852 3670 1 6 . 1 1 46 46 ALA CA C 46 52.310 52.310 54.744 -2.434 25852 3671 1 6 . 1 1 46 46 ALA CB C 46 15.394 15.394 18.506 -3.112 25852 3672 1 6 . 1 1 46 46 ALA H H 46 8.251 8.251 8.150 0.101 25852 3673 1 6 . 1 1 47 47 GLU N N 47 118.672 118.672 118.738 -0.066 25852 3674 1 6 . 1 1 47 47 GLU HA H 47 3.965 3.965 4.165 -0.200 25852 3675 1 6 . 1 1 47 47 GLU CA C 47 56.641 56.641 58.646 -2.005 25852 3676 1 6 . 1 1 47 47 GLU CB C 47 26.623 26.623 29.269 -2.646 25852 3677 1 6 . 1 1 47 47 GLU H H 47 7.668 7.668 8.593 -0.925 25852 3678 1 6 . 1 1 48 48 LEU N N 48 119.645 119.645 119.590 0.055 25852 3679 1 6 . 1 1 48 48 LEU HA H 48 3.892 3.892 4.101 -0.209 25852 3680 1 6 . 1 1 48 48 LEU CA C 48 55.610 55.610 58.034 -2.424 25852 3681 1 6 . 1 1 48 48 LEU CB C 48 39.340 39.340 41.531 -2.191 25852 3682 1 6 . 1 1 48 48 LEU H H 48 8.244 8.244 7.643 0.601 25852 3683 1 6 . 1 1 49 49 GLN N N 49 117.446 117.446 117.298 0.148 25852 3684 1 6 . 1 1 49 49 GLN HA H 49 3.892 3.892 4.177 -0.285 25852 3685 1 6 . 1 1 49 49 GLN CA C 49 56.756 56.756 58.156 -1.400 25852 3686 1 6 . 1 1 49 49 GLN CB C 49 26.508 26.508 28.557 -2.049 25852 3687 1 6 . 1 1 49 49 GLN H H 49 7.980 7.980 7.739 0.241 25852 3688 1 6 . 1 1 50 50 ASP N N 50 118.733 118.733 121.496 -2.763 25852 3689 1 6 . 1 1 50 50 ASP HA H 50 4.267 4.267 4.484 -0.217 25852 3690 1 6 . 1 1 50 50 ASP CA C 50 54.700 54.700 57.077 -2.377 25852 3691 1 6 . 1 1 50 50 ASP CB C 50 37.622 37.622 40.928 -3.306 25852 3692 1 6 . 1 1 50 50 ASP H H 50 7.761 7.761 7.738 0.023 25852 3693 1 6 . 1 1 51 51 MET N N 51 118.996 118.996 117.985 1.011 25852 3694 1 6 . 1 1 51 51 MET HA H 51 3.892 3.892 4.422 -0.530 25852 3695 1 6 . 1 1 51 51 MET CA C 51 56.560 56.560 56.898 -0.338 25852 3696 1 6 . 1 1 51 51 MET CB C 51 29.601 29.601 32.640 -3.039 25852 3697 1 6 . 1 1 51 51 MET H H 51 7.900 7.900 7.851 0.049 25852 3698 1 6 . 1 1 52 52 ILE N N 52 118.833 118.833 119.731 -0.898 25852 3699 1 6 . 1 1 52 52 ILE HA H 52 3.348 3.348 3.820 -0.472 25852 3700 1 6 . 1 1 52 52 ILE CA C 52 62.484 62.484 63.005 -0.521 25852 3701 1 6 . 1 1 52 52 ILE CB C 52 35.330 35.330 36.401 -1.071 25852 3702 1 6 . 1 1 52 52 ILE H H 52 8.261 8.261 7.781 0.480 25852 3703 1 6 . 1 1 53 53 ASN N N 53 117.296 117.296 116.308 0.988 25852 3704 1 6 . 1 1 53 53 ASN HA H 53 4.243 4.243 4.512 -0.269 25852 3705 1 6 . 1 1 53 53 ASN CA C 53 53.090 53.090 55.455 -2.365 25852 3706 1 6 . 1 1 53 53 ASN CB C 53 35.330 35.330 39.529 -4.199 25852 3707 1 6 . 1 1 53 53 ASN H H 53 8.186 8.186 7.888 0.298 25852 3708 1 6 . 1 1 54 54 GLU N N 54 117.133 117.133 118.615 -1.482 25852 3709 1 6 . 1 1 54 54 GLU HA H 54 3.965 3.965 4.273 -0.308 25852 3710 1 6 . 1 1 54 54 GLU CA C 54 56.412 56.412 58.092 -1.680 25852 3711 1 6 . 1 1 54 54 GLU CB C 54 26.508 26.508 30.624 -4.116 25852 3712 1 6 . 1 1 54 54 GLU H H 54 7.501 7.501 7.674 -0.173 25852 3713 1 6 . 1 1 55 55 VAL N N 55 112.928 112.928 119.121 -6.193 25852 3714 1 6 . 1 1 55 55 VAL HA H 55 4.194 4.194 3.987 0.207 25852 3715 1 6 . 1 1 55 55 VAL CA C 55 59.505 59.505 65.674 -6.169 25852 3716 1 6 . 1 1 55 55 VAL CB C 55 30.174 30.174 32.472 -2.298 25852 3717 1 6 . 1 1 55 55 VAL H H 55 7.575 7.575 8.327 -0.752 25852 3718 1 6 . 1 1 56 56 ASP N N 56 121.771 121.771 119.757 2.014 25852 3719 1 6 . 1 1 56 56 ASP HA H 56 4.388 4.388 4.502 -0.114 25852 3720 1 6 . 1 1 56 56 ASP CA C 56 50.990 50.990 54.357 -3.367 25852 3721 1 6 . 1 1 56 56 ASP CB C 56 36.820 36.820 39.335 -2.515 25852 3722 1 6 . 1 1 56 56 ASP H H 56 8.401 8.401 7.841 0.560 25852 3723 1 6 . 1 1 57 57 ALA N N 57 124.771 124.771 121.336 3.435 25852 3724 1 6 . 1 1 57 57 ALA HA H 57 4.001 4.001 4.303 -0.302 25852 3725 1 6 . 1 1 57 57 ALA CA C 57 52.402 52.402 53.373 -0.971 25852 3726 1 6 . 1 1 57 57 ALA CB C 57 15.280 15.280 19.241 -3.961 25852 3727 1 6 . 1 1 57 57 ALA H H 57 8.097 8.097 8.147 -0.050 25852 3728 1 6 . 1 1 58 58 ASP N N 58 114.518 114.518 119.730 -5.212 25852 3729 1 6 . 1 1 58 58 ASP HA H 58 4.400 4.400 4.618 -0.218 25852 3730 1 6 . 1 1 58 58 ASP CA C 58 50.798 50.798 54.378 -3.580 25852 3731 1 6 . 1 1 58 58 ASP CB C 58 36.934 36.934 41.551 -4.617 25852 3732 1 6 . 1 1 58 58 ASP H H 58 8.376 8.376 7.925 0.451 25852 3733 1 6 . 1 1 59 59 GLY N N 59 108.798 108.798 107.472 1.326 25852 3734 1 6 . 1 1 59 59 GLY CA C 59 44.490 44.490 45.506 -1.016 25852 3735 1 6 . 1 1 59 59 GLY H H 59 7.827 7.827 8.692 -0.865 25852 3736 1 6 . 1 1 60 60 ASN N N 60 119.696 119.696 117.917 1.779 25852 3737 1 6 . 1 1 60 60 ASN HA H 60 4.688 4.688 4.715 -0.027 25852 3738 1 6 . 1 1 60 60 ASN CA C 60 51.943 51.943 52.392 -0.449 25852 3739 1 6 . 1 1 60 60 ASN CB C 60 38.424 38.424 39.349 -0.925 25852 3740 1 6 . 1 1 60 60 ASN H H 60 9.253 9.253 8.294 0.959 25852 3741 1 6 . 1 1 61 61 GLY N N 61 110.108 110.108 109.266 0.842 25852 3742 1 6 . 1 1 61 61 GLY CA C 61 42.870 42.870 46.130 -3.260 25852 3743 1 6 . 1 1 61 61 GLY H H 61 10.004 10.004 8.145 1.859 25852 3744 1 6 . 1 1 62 62 THR N N 62 110.533 110.533 111.161 -0.628 25852 3745 1 6 . 1 1 62 62 THR HA H 62 4.629 4.629 5.317 -0.688 25852 3746 1 6 . 1 1 62 62 THR CA C 62 59.162 59.162 60.204 -1.042 25852 3747 1 6 . 1 1 62 62 THR CB C 62 67.526 67.526 72.979 -5.453 25852 3748 1 6 . 1 1 62 62 THR H H 62 7.481 7.481 7.438 0.043 25852 3749 1 6 . 1 1 63 63 ILE N N 63 118.533 118.533 124.090 -5.557 25852 3750 1 6 . 1 1 63 63 ILE HA H 63 3.783 3.783 4.384 -0.601 25852 3751 1 6 . 1 1 63 63 ILE CA C 63 60.537 60.537 60.220 0.317 25852 3752 1 6 . 1 1 63 63 ILE CB C 63 36.018 36.018 41.045 -5.027 25852 3753 1 6 . 1 1 63 63 ILE H H 63 8.820 8.820 8.637 0.183 25852 3754 1 6 . 1 1 64 64 ASP N N 64 122.928 122.928 127.587 -4.659 25852 3755 1 6 . 1 1 64 64 ASP HA H 64 4.327 4.327 4.556 -0.229 25852 3756 1 6 . 1 1 64 64 ASP CA C 64 51.027 51.027 54.872 -3.845 25852 3757 1 6 . 1 1 64 64 ASP CB C 64 37.278 37.278 41.405 -4.127 25852 3758 1 6 . 1 1 64 64 ASP H H 64 8.380 8.380 8.531 -0.151 25852 3759 1 6 . 1 1 65 65 PHE N N 65 118.559 118.559 117.083 1.476 25852 3760 1 6 . 1 1 65 65 PHE HA H 65 3.880 3.880 4.863 -0.983 25852 3761 1 6 . 1 1 65 65 PHE CA C 65 56.870 56.870 59.384 -2.514 25852 3762 1 6 . 1 1 65 65 PHE CB C 65 33.497 33.497 36.926 -3.429 25852 3763 1 6 . 1 1 65 65 PHE H H 65 8.559 8.559 8.412 0.147 25852 3764 1 6 . 1 1 67 67 GLU N N 67 117.546 117.546 114.426 3.120 25852 3765 1 6 . 1 1 67 67 GLU HA H 67 3.904 3.904 4.376 -0.472 25852 3766 1 6 . 1 1 67 67 GLU CA C 67 56.870 56.870 55.955 0.915 25852 3767 1 6 . 1 1 67 67 GLU CB C 67 26.623 26.623 29.635 -3.012 25852 3768 1 6 . 1 1 67 67 GLU H H 67 7.995 7.995 8.218 -0.223 25852 3769 1 6 . 1 1 68 68 PHE N N 68 122.032 122.032 122.029 0.003 25852 3770 1 6 . 1 1 68 68 PHE HA H 68 3.904 3.904 4.353 -0.449 25852 3771 1 6 . 1 1 68 68 PHE CA C 68 59.047 59.047 61.649 -2.602 25852 3772 1 6 . 1 1 68 68 PHE CB C 68 36.934 36.934 39.953 -3.019 25852 3773 1 6 . 1 1 68 68 PHE H H 68 8.377 8.377 7.825 0.552 25852 3774 1 6 . 1 1 69 69 LEU N N 69 118.488 118.488 118.860 -0.372 25852 3775 1 6 . 1 1 69 69 LEU HA H 69 3.179 3.179 3.733 -0.554 25852 3776 1 6 . 1 1 69 69 LEU CA C 69 55.158 55.158 58.627 -3.469 25852 3777 1 6 . 1 1 69 69 LEU CB C 69 38.195 38.195 41.569 -3.374 25852 3778 1 6 . 1 1 69 69 LEU H H 69 8.393 8.393 8.520 -0.127 25852 3779 1 6 . 1 1 70 70 THR N N 70 115.208 115.208 112.893 2.315 25852 3780 1 6 . 1 1 70 70 THR HA H 70 3.638 3.638 3.843 -0.205 25852 3781 1 6 . 1 1 70 70 THR CA C 70 63.630 63.630 66.434 -2.804 25852 3782 1 6 . 1 1 70 70 THR CB C 70 65.578 65.578 68.549 -2.971 25852 3783 1 6 . 1 1 70 70 THR H H 70 7.658 7.658 8.229 -0.571 25852 3784 1 6 . 1 1 71 71 MET N N 71 121.221 121.221 119.219 2.002 25852 3785 1 6 . 1 1 71 71 MET HA H 71 3.892 3.892 4.358 -0.466 25852 3786 1 6 . 1 1 71 71 MET CA C 71 56.303 56.303 58.044 -1.740 25852 3787 1 6 . 1 1 71 71 MET CB C 71 29.831 29.831 32.413 -2.582 25852 3788 1 6 . 1 1 71 71 MET H H 71 7.653 7.653 7.638 0.015 25852 3789 1 6 . 1 1 72 72 MET N N 72 117.459 117.459 118.100 -0.641 25852 3790 1 6 . 1 1 72 72 MET HA H 72 3.892 3.892 4.311 -0.419 25852 3791 1 6 . 1 1 72 72 MET CA C 72 53.777 53.777 55.841 -2.064 25852 3792 1 6 . 1 1 72 72 MET CB C 72 29.029 29.029 31.834 -2.805 25852 3793 1 6 . 1 1 72 72 MET H H 72 7.956 7.956 7.680 0.276 25852 3794 1 6 . 1 1 73 73 ALA N N 73 120.856 120.856 122.074 -1.218 25852 3795 1 6 . 1 1 73 73 ALA HA H 73 3.868 3.868 4.102 -0.234 25852 3796 1 6 . 1 1 73 73 ALA CA C 73 52.402 52.402 54.617 -2.215 25852 3797 1 6 . 1 1 73 73 ALA CB C 73 15.280 15.280 18.872 -3.592 25852 3798 1 6 . 1 1 73 73 ALA H H 73 8.230 8.230 8.218 0.012 25852 3799 1 6 . 1 1 74 74 ARG N N 74 116.530 116.530 116.489 0.041 25852 3800 1 6 . 1 1 74 74 ARG HA H 74 3.892 3.892 4.303 -0.411 25852 3801 1 6 . 1 1 74 74 ARG CA C 74 56.297 56.297 57.977 -1.681 25852 3802 1 6 . 1 1 74 74 ARG CB C 74 27.997 27.997 30.210 -2.213 25852 3803 1 6 . 1 1 74 74 ARG H H 74 7.409 7.409 7.853 -0.444 25852 3804 1 6 . 1 1 75 75 LYS N N 75 118.008 118.008 119.309 -1.301 25852 3805 1 6 . 1 1 75 75 LYS HA H 75 3.965 3.965 4.231 -0.266 25852 3806 1 6 . 1 1 75 75 LYS CA C 75 55.495 55.495 58.451 -2.956 25852 3807 1 6 . 1 1 75 75 LYS CB C 75 26.279 26.279 31.547 -5.268 25852 3808 1 6 . 1 1 75 75 LYS H H 75 7.657 7.657 7.809 -0.152 25852 3809 1 6 . 1 1 76 76 MET N N 76 117.646 117.646 113.995 3.651 25852 3810 1 6 . 1 1 76 76 MET HA H 76 4.146 4.146 4.660 -0.514 25852 3811 1 6 . 1 1 76 76 MET CA C 76 53.947 53.947 56.933 -2.986 25852 3812 1 6 . 1 1 76 76 MET CB C 76 29.487 29.487 34.456 -4.969 25852 3813 1 6 . 1 1 76 76 MET H H 76 7.883 7.883 7.341 0.542 25852 3814 1 6 . 1 1 77 77 LYS N N 77 120.334 120.334 118.458 1.876 25852 3815 1 6 . 1 1 77 77 LYS HA H 77 3.941 3.941 4.170 -0.229 25852 3816 1 6 . 1 1 77 77 LYS CA C 77 56.526 56.526 58.169 -1.643 25852 3817 1 6 . 1 1 77 77 LYS CB C 77 27.425 27.425 32.904 -5.479 25852 3818 1 6 . 1 1 77 77 LYS H H 77 7.658 7.658 7.701 -0.043 25852 3819 1 6 . 1 1 78 78 ASP N N 78 121.733 121.733 116.151 5.582 25852 3820 1 6 . 1 1 78 78 ASP HA H 78 4.194 4.194 4.717 -0.523 25852 3821 1 6 . 1 1 78 78 ASP CA C 78 52.516 52.516 55.637 -3.121 25852 3822 1 6 . 1 1 78 78 ASP CB C 78 40.028 40.028 41.640 -1.612 25852 3823 1 6 . 1 1 78 78 ASP H H 78 8.212 8.212 7.597 0.615 25852 3824 1 6 . 1 1 79 79 THR N N 79 114.651 114.651 116.705 -2.054 25852 3825 1 6 . 1 1 79 79 THR HA H 79 4.170 4.170 4.182 -0.012 25852 3826 1 6 . 1 1 79 79 THR CA C 79 59.391 59.391 62.063 -2.672 25852 3827 1 6 . 1 1 79 79 THR CB C 79 67.067 67.067 67.313 -0.246 25852 3828 1 6 . 1 1 79 79 THR H H 79 8.048 8.048 8.100 -0.052 25852 3829 1 6 . 1 1 80 80 ASP N N 80 122.484 122.484 121.257 1.227 25852 3830 1 6 . 1 1 80 80 ASP HA H 80 4.363 4.363 4.314 0.049 25852 3831 1 6 . 1 1 80 80 ASP CA C 80 50.850 50.850 55.452 -4.602 25852 3832 1 6 . 1 1 80 80 ASP CB C 80 36.705 36.705 41.301 -4.596 25852 3833 1 6 . 1 1 80 80 ASP H H 80 8.432 8.432 8.176 0.256 25852 3834 1 6 . 1 1 81 81 SER N N 81 117.135 117.135 118.036 -0.901 25852 3835 1 6 . 1 1 81 81 SER HA H 81 4.267 4.267 4.566 -0.299 25852 3836 1 6 . 1 1 81 81 SER CA C 81 56.870 56.870 60.338 -3.468 25852 3837 1 6 . 1 1 81 81 SER CB C 81 60.884 60.884 63.850 -2.966 25852 3838 1 6 . 1 1 81 81 SER H H 81 8.403 8.403 8.615 -0.212 25852 3839 1 6 . 1 1 82 82 GLU N N 82 121.723 121.723 121.179 0.544 25852 3840 1 6 . 1 1 82 82 GLU HA H 82 3.883 3.883 4.307 -0.424 25852 3841 1 6 . 1 1 82 82 GLU CA C 82 56.707 56.707 58.530 -1.823 25852 3842 1 6 . 1 1 82 82 GLU CB C 82 29.831 29.831 29.442 0.389 25852 3843 1 6 . 1 1 82 82 GLU H H 82 8.443 8.443 8.274 0.169 25852 3844 1 6 . 1 1 83 83 GLU N N 83 119.259 119.259 118.478 0.781 25852 3845 1 6 . 1 1 83 83 GLU HA H 83 3.883 3.883 4.155 -0.272 25852 3846 1 6 . 1 1 83 83 GLU CA C 83 56.606 56.606 58.533 -1.927 25852 3847 1 6 . 1 1 83 83 GLU CB C 83 29.364 29.364 29.264 0.100 25852 3848 1 6 . 1 1 83 83 GLU H H 83 8.118 8.118 8.715 -0.597 25852 3849 1 6 . 1 1 84 84 GLU N N 84 118.060 118.060 118.445 -0.385 25852 3850 1 6 . 1 1 84 84 GLU HA H 84 3.871 3.871 4.536 -0.665 25852 3851 1 6 . 1 1 84 84 GLU CA C 84 56.606 56.606 58.715 -2.109 25852 3852 1 6 . 1 1 84 84 GLU CB C 84 25.817 25.817 29.502 -3.685 25852 3853 1 6 . 1 1 84 84 GLU H H 84 8.212 8.212 7.888 0.324 25852 3854 1 6 . 1 1 85 85 ILE N N 85 120.736 120.736 118.170 2.566 25852 3855 1 6 . 1 1 85 85 ILE HA H 85 3.678 3.678 4.007 -0.329 25852 3856 1 6 . 1 1 85 85 ILE CA C 85 62.484 62.484 64.578 -2.094 25852 3857 1 6 . 1 1 85 85 ILE CB C 85 35.445 35.445 38.416 -2.971 25852 3858 1 6 . 1 1 85 85 ILE H H 85 7.964 7.964 7.400 0.564 25852 3859 1 6 . 1 1 86 86 ARG N N 86 121.452 121.452 119.385 2.067 25852 3860 1 6 . 1 1 86 86 ARG HA H 86 3.989 3.989 4.427 -0.438 25852 3861 1 6 . 1 1 86 86 ARG CA C 86 56.985 56.985 59.003 -2.018 25852 3862 1 6 . 1 1 86 86 ARG CB C 86 26.856 26.856 29.908 -3.052 25852 3863 1 6 . 1 1 86 86 ARG H H 86 8.351 8.351 8.170 0.181 25852 3864 1 6 . 1 1 87 87 GLU N N 87 118.288 118.288 119.172 -0.884 25852 3865 1 6 . 1 1 87 87 GLU HA H 87 3.861 3.861 4.224 -0.363 25852 3866 1 6 . 1 1 87 87 GLU CA C 87 56.606 56.606 58.643 -2.037 25852 3867 1 6 . 1 1 87 87 GLU CB C 87 25.817 25.817 29.081 -3.264 25852 3868 1 6 . 1 1 87 87 GLU H H 87 8.238 8.238 8.472 -0.234 25852 3869 1 6 . 1 1 88 88 ALA N N 88 120.408 120.408 121.852 -1.444 25852 3870 1 6 . 1 1 88 88 ALA HA H 88 4.013 4.013 4.007 0.006 25852 3871 1 6 . 1 1 88 88 ALA CA C 88 52.263 52.263 54.556 -2.293 25852 3872 1 6 . 1 1 88 88 ALA CB C 88 15.080 15.080 18.185 -3.105 25852 3873 1 6 . 1 1 88 88 ALA H H 88 7.960 7.960 7.932 0.028 25852 3874 1 6 . 1 1 89 89 PHE N N 89 118.123 118.123 115.910 2.213 25852 3875 1 6 . 1 1 89 89 PHE HA H 89 3.058 3.058 4.126 -1.068 25852 3876 1 6 . 1 1 89 89 PHE CA C 89 59.703 59.703 59.063 0.640 25852 3877 1 6 . 1 1 89 89 PHE CB C 89 36.774 36.774 39.334 -2.560 25852 3878 1 6 . 1 1 89 89 PHE H H 89 8.498 8.498 7.451 1.047 25852 3879 1 6 . 1 1 90 90 ARG N N 90 116.002 116.002 118.018 -2.016 25852 3880 1 6 . 1 1 90 90 ARG HA H 90 3.892 3.892 3.731 0.161 25852 3881 1 6 . 1 1 90 90 ARG CA C 90 56.168 56.168 56.669 -0.501 25852 3882 1 6 . 1 1 90 90 ARG CB C 90 27.654 27.654 30.228 -2.574 25852 3883 1 6 . 1 1 90 90 ARG H H 90 7.860 7.860 7.512 0.348 25852 3884 1 6 . 1 1 91 91 VAL N N 91 118.008 118.008 118.890 -0.882 25852 3885 1 6 . 1 1 91 91 VAL HA H 91 3.243 3.243 3.766 -0.523 25852 3886 1 6 . 1 1 91 91 VAL CA C 91 63.357 63.357 65.697 -2.340 25852 3887 1 6 . 1 1 91 91 VAL CB C 91 28.444 28.444 32.592 -4.148 25852 3888 1 6 . 1 1 91 91 VAL H H 91 7.300 7.300 7.701 -0.401 25852 3889 1 6 . 1 1 92 92 PHE N N 92 113.024 113.024 115.316 -2.292 25852 3890 1 6 . 1 1 92 92 PHE HA H 92 3.967 3.967 4.366 -0.399 25852 3891 1 6 . 1 1 92 92 PHE CA C 92 57.558 57.558 57.774 -0.216 25852 3892 1 6 . 1 1 92 92 PHE CB C 92 38.838 38.838 40.576 -1.738 25852 3893 1 6 . 1 1 92 92 PHE H H 92 6.805 6.805 7.794 -0.989 25852 3894 1 6 . 1 1 93 93 ASP N N 93 116.393 116.393 119.848 -3.455 25852 3895 1 6 . 1 1 93 93 ASP HA H 93 4.496 4.496 4.536 -0.040 25852 3896 1 6 . 1 1 93 93 ASP CA C 93 49.525 49.525 55.408 -5.883 25852 3897 1 6 . 1 1 93 93 ASP CB C 93 35.788 35.788 40.521 -4.733 25852 3898 1 6 . 1 1 93 93 ASP H H 93 8.018 8.018 7.775 0.243 25852 3899 1 6 . 1 1 94 94 LYS N N 94 125.158 125.158 125.091 0.067 25852 3900 1 6 . 1 1 94 94 LYS HA H 94 3.892 3.892 4.198 -0.306 25852 3901 1 6 . 1 1 94 94 LYS CA C 94 56.183 56.183 57.926 -1.743 25852 3902 1 6 . 1 1 94 94 LYS CB C 94 29.945 29.945 32.747 -2.802 25852 3903 1 6 . 1 1 94 94 LYS H H 94 7.721 7.721 8.183 -0.462 25852 3904 1 6 . 1 1 95 95 ASP N N 95 113.893 113.893 117.963 -4.070 25852 3905 1 6 . 1 1 95 95 ASP HA H 95 4.415 4.415 4.475 -0.060 25852 3906 1 6 . 1 1 95 95 ASP CA C 95 50.683 50.683 54.727 -4.044 25852 3907 1 6 . 1 1 95 95 ASP CB C 95 36.774 36.774 41.093 -4.319 25852 3908 1 6 . 1 1 95 95 ASP H H 95 8.156 8.156 8.469 -0.313 25852 3909 1 6 . 1 1 96 96 GLY N N 96 108.799 108.799 106.810 1.989 25852 3910 1 6 . 1 1 96 96 GLY CA C 96 44.344 44.344 46.229 -1.885 25852 3911 1 6 . 1 1 96 96 GLY H H 96 7.717 7.717 8.416 -0.699 25852 3912 1 6 . 1 1 97 97 ASN N N 97 119.381 119.381 118.549 0.832 25852 3913 1 6 . 1 1 97 97 ASN HA H 97 4.500 4.500 4.776 -0.276 25852 3914 1 6 . 1 1 97 97 ASN CA C 97 49.916 49.916 53.080 -3.164 25852 3915 1 6 . 1 1 97 97 ASN CB C 97 35.183 35.183 39.269 -4.086 25852 3916 1 6 . 1 1 97 97 ASN H H 97 8.312 8.312 8.248 0.064 25852 3917 1 6 . 1 1 98 98 GLY N N 98 112.330 112.330 107.608 4.722 25852 3918 1 6 . 1 1 98 98 GLY CA C 98 42.434 42.434 45.498 -3.064 25852 3919 1 6 . 1 1 98 98 GLY H H 98 10.555 10.555 8.099 2.456 25852 3920 1 6 . 1 1 99 99 TYR N N 99 116.075 116.075 119.327 -3.252 25852 3921 1 6 . 1 1 99 99 TYR HA H 99 4.871 4.871 4.806 0.065 25852 3922 1 6 . 1 1 99 99 TYR CA C 99 53.582 53.582 56.166 -2.584 25852 3923 1 6 . 1 1 99 99 TYR CB C 99 39.981 39.981 39.481 0.500 25852 3924 1 6 . 1 1 99 99 TYR H H 99 7.650 7.650 7.569 0.081 25852 3925 1 6 . 1 1 100 100 ILE N N 100 126.834 126.834 125.943 0.891 25852 3926 1 6 . 1 1 100 100 ILE HA H 100 4.493 4.493 4.363 0.130 25852 3927 1 6 . 1 1 100 100 ILE CA C 100 58.616 58.616 61.644 -3.028 25852 3928 1 6 . 1 1 100 100 ILE CB C 100 35.903 35.903 36.831 -0.928 25852 3929 1 6 . 1 1 100 100 ILE H H 100 10.037 10.037 8.802 1.235 25852 3930 1 6 . 1 1 101 101 SER N N 101 123.486 123.486 122.917 0.569 25852 3931 1 6 . 1 1 101 101 SER HA H 101 4.738 4.738 4.598 0.140 25852 3932 1 6 . 1 1 101 101 SER CA C 101 52.897 52.897 57.033 -4.136 25852 3933 1 6 . 1 1 101 101 SER CB C 101 64.134 64.134 64.875 -0.741 25852 3934 1 6 . 1 1 101 101 SER H H 101 8.904 8.904 9.225 -0.321 25852 3935 1 6 . 1 1 102 102 ALA N N 102 122.796 122.796 123.604 -0.808 25852 3936 1 6 . 1 1 102 102 ALA HA H 102 3.747 3.747 4.019 -0.272 25852 3937 1 6 . 1 1 102 102 ALA CA C 102 53.093 53.093 54.993 -1.901 25852 3938 1 6 . 1 1 102 102 ALA CB C 102 15.114 15.114 18.393 -3.279 25852 3939 1 6 . 1 1 102 102 ALA H H 102 9.246 9.246 8.851 0.395 25852 3940 1 6 . 1 1 103 103 ALA N N 103 118.362 118.362 118.778 -0.416 25852 3941 1 6 . 1 1 103 103 ALA HA H 103 3.861 3.861 4.106 -0.245 25852 3942 1 6 . 1 1 103 103 ALA CA C 103 52.409 52.409 53.694 -1.285 25852 3943 1 6 . 1 1 103 103 ALA CB C 103 15.456 15.456 18.663 -3.207 25852 3944 1 6 . 1 1 103 103 ALA H H 103 8.214 8.214 8.298 -0.084 25852 3945 1 6 . 1 1 104 104 GLU N N 104 120.187 120.187 120.448 -0.261 25852 3946 1 6 . 1 1 104 104 GLU HA H 104 3.904 3.904 4.073 -0.169 25852 3947 1 6 . 1 1 104 104 GLU CA C 104 56.563 56.563 58.817 -2.254 25852 3948 1 6 . 1 1 104 104 GLU CB C 104 26.400 26.400 29.766 -3.366 25852 3949 1 6 . 1 1 104 104 GLU H H 104 7.864 7.864 7.753 0.111 25852 3950 1 6 . 1 1 105 105 LEU N N 105 121.050 121.050 120.226 0.824 25852 3951 1 6 . 1 1 105 105 LEU HA H 105 3.892 3.892 3.573 0.319 25852 3952 1 6 . 1 1 105 105 LEU CA C 105 55.732 55.732 57.730 -1.998 25852 3953 1 6 . 1 1 105 105 LEU CB C 105 39.340 39.340 41.977 -2.637 25852 3954 1 6 . 1 1 105 105 LEU H H 105 8.341 8.341 8.561 -0.220 25852 3955 1 6 . 1 1 106 106 ARG N N 106 118.494 118.494 118.963 -0.469 25852 3956 1 6 . 1 1 106 106 ARG HA H 106 3.904 3.904 3.952 -0.048 25852 3957 1 6 . 1 1 106 106 ARG CA C 106 55.724 55.724 58.889 -3.165 25852 3958 1 6 . 1 1 106 106 ARG CB C 106 29.945 29.945 29.066 0.879 25852 3959 1 6 . 1 1 106 106 ARG H H 106 8.852 8.852 7.600 1.252 25852 3960 1 6 . 1 1 107 107 HIS N N 107 118.921 118.921 118.534 0.387 25852 3961 1 6 . 1 1 107 107 HIS HA H 107 3.876 3.876 4.391 -0.515 25852 3962 1 6 . 1 1 107 107 HIS CA C 107 56.807 56.807 59.388 -2.581 25852 3963 1 6 . 1 1 107 107 HIS CB C 107 27.198 27.198 30.290 -3.092 25852 3964 1 6 . 1 1 107 107 HIS H H 107 8.045 8.045 8.374 -0.329 25852 3965 1 6 . 1 1 108 108 VAL N N 108 118.991 118.991 120.997 -2.006 25852 3966 1 6 . 1 1 108 108 VAL HA H 108 3.385 3.385 3.583 -0.199 25852 3967 1 6 . 1 1 108 108 VAL CA C 108 64.285 64.285 66.292 -2.007 25852 3968 1 6 . 1 1 108 108 VAL CB C 108 28.908 28.908 31.169 -2.261 25852 3969 1 6 . 1 1 108 108 VAL H H 108 7.766 7.766 8.497 -0.731 25852 3970 1 6 . 1 1 109 109 MET N N 109 115.789 115.789 118.955 -3.166 25852 3971 1 6 . 1 1 109 109 MET HA H 109 4.139 4.139 4.133 0.006 25852 3972 1 6 . 1 1 109 109 MET CA C 109 54.461 54.461 57.931 -3.470 25852 3973 1 6 . 1 1 109 109 MET CB C 109 29.706 29.706 31.502 -1.796 25852 3974 1 6 . 1 1 109 109 MET H H 109 8.333 8.333 8.614 -0.281 25852 3975 1 6 . 1 1 110 110 THR N N 110 116.700 116.700 113.603 3.097 25852 3976 1 6 . 1 1 110 110 THR HA H 110 3.935 3.935 4.238 -0.303 25852 3977 1 6 . 1 1 110 110 THR CA C 110 63.845 63.845 65.429 -1.584 25852 3978 1 6 . 1 1 110 110 THR CB C 110 66.072 66.072 68.397 -2.325 25852 3979 1 6 . 1 1 110 110 THR H H 110 8.603 8.603 8.179 0.424 25852 3980 1 6 . 1 1 111 111 ASN N N 111 123.354 123.354 118.177 5.177 25852 3981 1 6 . 1 1 111 111 ASN HA H 111 4.242 4.242 4.548 -0.306 25852 3982 1 6 . 1 1 111 111 ASN CA C 111 53.093 53.093 55.298 -2.205 25852 3983 1 6 . 1 1 111 111 ASN CB C 111 35.292 35.292 38.752 -3.460 25852 3984 1 6 . 1 1 111 111 ASN H H 111 7.991 7.991 7.194 0.797 25852 3985 1 6 . 1 1 112 112 LEU N N 112 118.291 118.291 117.713 0.578 25852 3986 1 6 . 1 1 112 112 LEU HA H 112 4.182 4.182 4.232 -0.050 25852 3987 1 6 . 1 1 112 112 LEU CA C 112 52.653 52.653 56.175 -3.522 25852 3988 1 6 . 1 1 112 112 LEU CB C 112 39.738 39.738 42.408 -2.671 25852 3989 1 6 . 1 1 112 112 LEU H H 112 7.754 7.754 8.309 -0.555 25852 3990 1 6 . 1 1 113 113 GLY N N 113 106.894 106.894 103.959 2.935 25852 3991 1 6 . 1 1 113 113 GLY CA C 113 42.536 42.536 44.552 -2.016 25852 3992 1 6 . 1 1 113 113 GLY H H 113 7.778 7.778 8.111 -0.333 25852 3993 1 6 . 1 1 114 114 GLU N N 114 119.776 119.776 121.378 -1.602 25852 3994 1 6 . 1 1 114 114 GLU HA H 114 4.267 4.267 4.501 -0.234 25852 3995 1 6 . 1 1 114 114 GLU CA C 114 52.067 52.067 55.182 -3.115 25852 3996 1 6 . 1 1 114 114 GLU CB C 114 26.616 26.616 32.268 -5.652 25852 3997 1 6 . 1 1 114 114 GLU H H 114 7.957 7.957 8.543 -0.586 25852 3998 1 6 . 1 1 115 115 LYS N N 115 124.429 124.429 121.416 3.013 25852 3999 1 6 . 1 1 115 115 LYS HA H 115 4.255 4.255 4.482 -0.227 25852 4000 1 6 . 1 1 115 115 LYS CA C 115 52.848 52.848 55.512 -2.664 25852 4001 1 6 . 1 1 115 115 LYS CB C 115 30.518 30.518 33.554 -3.036 25852 4002 1 6 . 1 1 115 115 LYS H H 115 8.591 8.591 8.398 0.193 25852 4003 1 6 . 1 1 116 116 LEU N N 116 124.724 124.724 125.930 -1.206 25852 4004 1 6 . 1 1 116 116 LEU HA H 116 4.690 4.690 4.860 -0.170 25852 4005 1 6 . 1 1 116 116 LEU CA C 116 51.089 51.089 54.067 -2.978 25852 4006 1 6 . 1 1 116 116 LEU CB C 116 42.588 42.588 45.061 -2.473 25852 4007 1 6 . 1 1 116 116 LEU H H 116 8.066 8.066 8.548 -0.482 25852 4008 1 6 . 1 1 117 117 THR N N 117 113.912 113.912 118.516 -4.604 25852 4009 1 6 . 1 1 117 117 THR HA H 117 4.302 4.302 4.302 0.000 25852 4010 1 6 . 1 1 117 117 THR CA C 117 57.834 57.834 62.417 -4.583 25852 4011 1 6 . 1 1 117 117 THR CB C 117 68.580 68.580 70.559 -1.979 25852 4012 1 6 . 1 1 117 117 THR H H 117 9.165 9.165 8.985 0.180 25852 4013 1 6 . 1 1 118 118 ASP N N 118 120.787 120.787 120.032 0.755 25852 4014 1 6 . 1 1 118 118 ASP HA H 118 4.061 4.061 4.449 -0.388 25852 4015 1 6 . 1 1 118 118 ASP CA C 118 55.243 55.243 57.625 -2.382 25852 4016 1 6 . 1 1 118 118 ASP CB C 118 37.002 37.002 40.967 -3.965 25852 4017 1 6 . 1 1 118 118 ASP H H 118 8.860 8.860 8.752 0.108 25852 4018 1 6 . 1 1 119 119 GLU N N 119 119.091 119.091 117.494 1.597 25852 4019 1 6 . 1 1 119 119 GLU HA H 119 3.892 3.892 4.251 -0.359 25852 4020 1 6 . 1 1 119 119 GLU CA C 119 57.149 57.149 57.656 -0.507 25852 4021 1 6 . 1 1 119 119 GLU CB C 119 25.931 25.931 29.259 -3.328 25852 4022 1 6 . 1 1 119 119 GLU H H 119 8.618 8.618 8.678 -0.060 25852 4023 1 6 . 1 1 120 120 GLU N N 120 120.037 120.037 118.717 1.320 25852 4024 1 6 . 1 1 120 120 GLU HA H 120 3.880 3.880 4.258 -0.378 25852 4025 1 6 . 1 1 120 120 GLU CA C 120 56.319 56.319 57.772 -1.453 25852 4026 1 6 . 1 1 120 120 GLU CB C 120 25.830 25.830 29.458 -3.628 25852 4027 1 6 . 1 1 120 120 GLU H H 120 7.659 7.659 8.626 -0.967 25852 4028 1 6 . 1 1 121 121 VAL N N 121 122.512 122.512 116.333 6.179 25852 4029 1 6 . 1 1 121 121 VAL HA H 121 3.385 3.385 4.000 -0.615 25852 4030 1 6 . 1 1 121 121 VAL CA C 121 64.090 64.090 64.388 -0.298 25852 4031 1 6 . 1 1 121 121 VAL CB C 121 28.680 28.680 31.869 -3.188 25852 4032 1 6 . 1 1 121 121 VAL H H 121 7.887 7.887 7.264 0.623 25852 4033 1 6 . 1 1 122 122 ASP N N 122 119.993 119.993 120.076 -0.083 25852 4034 1 6 . 1 1 122 122 ASP HA H 122 4.157 4.157 4.574 -0.417 25852 4035 1 6 . 1 1 122 122 ASP CA C 122 54.901 54.901 56.058 -1.157 25852 4036 1 6 . 1 1 122 122 ASP CB C 122 37.572 37.572 39.742 -2.170 25852 4037 1 6 . 1 1 122 122 ASP H H 122 7.973 7.973 8.180 -0.207 25852 4038 1 6 . 1 1 123 123 GLU N N 123 119.521 119.521 119.116 0.405 25852 4039 1 6 . 1 1 123 123 GLU HA H 123 3.880 3.880 4.453 -0.573 25852 4040 1 6 . 1 1 123 123 GLU CA C 123 56.612 56.612 57.562 -0.950 25852 4041 1 6 . 1 1 123 123 GLU CB C 123 26.172 26.172 30.931 -4.759 25852 4042 1 6 . 1 1 123 123 GLU H H 123 7.903 7.903 8.034 -0.131 25852 4043 1 6 . 1 1 124 124 MET N N 124 118.961 118.961 120.746 -1.785 25852 4044 1 6 . 1 1 124 124 MET HA H 124 3.892 3.892 4.203 -0.311 25852 4045 1 6 . 1 1 124 124 MET CA C 124 56.905 56.905 59.284 -2.379 25852 4046 1 6 . 1 1 124 124 MET CB C 124 29.250 29.250 32.904 -3.654 25852 4047 1 6 . 1 1 124 124 MET H H 124 7.496 7.496 7.836 -0.340 25852 4048 1 6 . 1 1 125 125 ILE N N 125 117.801 117.801 117.782 0.019 25852 4049 1 6 . 1 1 125 125 ILE HA H 125 3.409 3.409 3.929 -0.520 25852 4050 1 6 . 1 1 125 125 ILE CA C 125 60.131 60.131 64.430 -4.299 25852 4051 1 6 . 1 1 125 125 ILE CB C 125 33.240 33.240 38.183 -4.943 25852 4052 1 6 . 1 1 125 125 ILE H H 125 7.762 7.762 7.504 0.258 25852 4053 1 6 . 1 1 126 126 ARG N N 126 117.729 117.729 118.452 -0.723 25852 4054 1 6 . 1 1 126 126 ARG HA H 126 3.883 3.883 3.996 -0.113 25852 4055 1 6 . 1 1 126 126 ARG CA C 126 56.673 56.673 59.368 -2.695 25852 4056 1 6 . 1 1 126 126 ARG CB C 126 29.478 29.478 29.880 -0.402 25852 4057 1 6 . 1 1 126 126 ARG H H 126 8.055 8.055 8.517 -0.462 25852 4058 1 6 . 1 1 127 127 GLU N N 127 117.539 117.539 116.083 1.456 25852 4059 1 6 . 1 1 127 127 GLU HA H 127 3.861 3.861 4.224 -0.363 25852 4060 1 6 . 1 1 127 127 GLU CA C 127 56.319 56.319 57.966 -1.647 25852 4061 1 6 . 1 1 127 127 GLU CB C 127 26.286 26.286 29.648 -3.362 25852 4062 1 6 . 1 1 127 127 GLU H H 127 7.700 7.700 8.001 -0.301 25852 4063 1 6 . 1 1 128 128 ALA N N 128 116.677 116.677 120.764 -4.087 25852 4064 1 6 . 1 1 128 128 ALA HA H 128 4.500 4.500 4.390 0.110 25852 4065 1 6 . 1 1 128 128 ALA CA C 128 48.205 48.205 52.288 -4.083 25852 4066 1 6 . 1 1 128 128 ALA CB C 128 19.633 19.633 20.746 -1.113 25852 4067 1 6 . 1 1 128 128 ALA H H 128 7.223 7.223 7.516 -0.293 25852 4068 1 6 . 1 1 129 129 ASP N N 129 118.030 118.030 118.903 -0.873 25852 4069 1 6 . 1 1 129 129 ASP HA H 129 4.460 4.460 4.740 -0.280 25852 4070 1 6 . 1 1 129 129 ASP CA C 129 51.485 51.485 56.124 -4.639 25852 4071 1 6 . 1 1 129 129 ASP CB C 129 38.195 38.195 41.229 -3.034 25852 4072 1 6 . 1 1 129 129 ASP H H 129 7.895 7.895 8.406 -0.511 25852 4073 1 6 . 1 1 130 130 ILE N N 130 127.693 127.693 126.397 1.296 25852 4074 1 6 . 1 1 130 130 ILE HA H 130 3.797 3.797 4.060 -0.263 25852 4075 1 6 . 1 1 130 130 ILE CA C 130 60.522 60.522 62.829 -2.307 25852 4076 1 6 . 1 1 130 130 ILE CB C 130 36.090 36.090 38.776 -2.686 25852 4077 1 6 . 1 1 130 130 ILE H H 130 8.148 8.148 9.325 -1.177 25852 4078 1 6 . 1 1 131 131 ASP N N 131 116.409 116.409 119.748 -3.339 25852 4079 1 6 . 1 1 131 131 ASP HA H 131 4.376 4.376 4.686 -0.310 25852 4080 1 6 . 1 1 131 131 ASP CA C 131 51.187 51.187 54.346 -3.159 25852 4081 1 6 . 1 1 131 131 ASP CB C 131 37.468 37.468 41.938 -4.470 25852 4082 1 6 . 1 1 131 131 ASP H H 131 8.288 8.288 8.208 0.080 25852 4083 1 6 . 1 1 132 132 GLY N N 132 108.363 108.363 108.367 -0.004 25852 4084 1 6 . 1 1 132 132 GLY CA C 132 44.638 44.638 45.259 -0.621 25852 4085 1 6 . 1 1 132 132 GLY H H 132 7.630 7.630 8.545 -0.915 25852 4086 1 6 . 1 1 133 133 ASP N N 133 120.183 120.183 120.149 0.034 25852 4087 1 6 . 1 1 133 133 ASP HA H 133 4.329 4.329 4.581 -0.252 25852 4088 1 6 . 1 1 133 133 ASP CA C 133 50.942 50.942 55.220 -4.278 25852 4089 1 6 . 1 1 133 133 ASP CB C 133 37.458 37.458 41.879 -4.421 25852 4090 1 6 . 1 1 133 133 ASP H H 133 8.298 8.298 8.677 -0.379 25852 4091 1 6 . 1 1 134 134 GLY N N 134 112.149 112.149 108.899 3.250 25852 4092 1 6 . 1 1 134 134 GLY CA C 134 43.122 43.122 45.000 -1.878 25852 4093 1 6 . 1 1 134 134 GLY H H 134 10.079 10.079 8.226 1.853 25852 4094 1 6 . 1 1 135 135 GLN N N 135 115.069 115.069 117.913 -2.844 25852 4095 1 6 . 1 1 135 135 GLN HA H 135 4.844 4.844 4.715 0.129 25852 4096 1 6 . 1 1 135 135 GLN CA C 135 50.454 50.454 54.662 -4.208 25852 4097 1 6 . 1 1 135 135 GLN CB C 135 30.614 30.614 32.241 -1.627 25852 4098 1 6 . 1 1 135 135 GLN H H 135 7.922 7.922 7.697 0.225 25852 4099 1 6 . 1 1 136 136 VAL N N 136 125.107 125.107 126.491 -1.384 25852 4100 1 6 . 1 1 136 136 VAL HA H 136 5.096 5.096 4.691 0.405 25852 4101 1 6 . 1 1 136 136 VAL CA C 136 58.713 58.713 62.254 -3.541 25852 4102 1 6 . 1 1 136 136 VAL CB C 136 31.416 31.416 33.392 -1.976 25852 4103 1 6 . 1 1 136 136 VAL H H 136 9.046 9.046 8.973 0.073 25852 4104 1 6 . 1 1 137 137 ASN N N 137 128.858 128.858 124.253 4.605 25852 4105 1 6 . 1 1 137 137 ASN HA H 137 5.226 5.226 5.045 0.181 25852 4106 1 6 . 1 1 137 137 ASN CA C 137 48.352 48.352 52.492 -4.139 25852 4107 1 6 . 1 1 137 137 ASN CB C 137 35.640 35.640 40.348 -4.708 25852 4108 1 6 . 1 1 137 137 ASN H H 137 9.458 9.458 8.912 0.546 25852 4109 1 6 . 1 1 138 138 TYR N N 138 118.481 118.481 119.533 -1.052 25852 4110 1 6 . 1 1 138 138 TYR HA H 138 3.603 3.603 4.269 -0.666 25852 4111 1 6 . 1 1 138 138 TYR CA C 138 59.669 59.669 62.796 -3.127 25852 4112 1 6 . 1 1 138 138 TYR CB C 138 37.572 37.572 38.214 -0.642 25852 4113 1 6 . 1 1 138 138 TYR H H 138 8.235 8.235 9.131 -0.896 25852 4114 1 6 . 1 1 139 139 GLU N N 139 118.474 118.474 118.690 -0.216 25852 4115 1 6 . 1 1 139 139 GLU HA H 139 3.868 3.868 4.166 -0.298 25852 4116 1 6 . 1 1 139 139 GLU CA C 139 57.540 57.540 59.358 -1.818 25852 4117 1 6 . 1 1 139 139 GLU CB C 139 26.274 26.274 28.932 -2.658 25852 4118 1 6 . 1 1 139 139 GLU H H 139 8.067 8.067 9.053 -0.986 25852 4119 1 6 . 1 1 140 140 GLU N N 140 119.279 119.279 118.895 0.384 25852 4120 1 6 . 1 1 140 140 GLU HA H 140 3.880 3.880 4.293 -0.413 25852 4121 1 6 . 1 1 140 140 GLU CA C 140 56.025 56.025 58.364 -2.339 25852 4122 1 6 . 1 1 140 140 GLU CB C 140 26.274 26.274 29.844 -3.570 25852 4123 1 6 . 1 1 140 140 GLU H H 140 8.742 8.742 8.591 0.151 25852 4124 1 6 . 1 1 141 141 PHE N N 141 124.141 124.141 119.785 4.356 25852 4125 1 6 . 1 1 141 141 PHE HA H 141 3.602 3.602 4.271 -0.669 25852 4126 1 6 . 1 1 141 141 PHE CA C 141 59.447 59.447 60.334 -0.887 25852 4127 1 6 . 1 1 141 141 PHE CB C 141 37.686 37.686 39.501 -1.815 25852 4128 1 6 . 1 1 141 141 PHE H H 141 8.593 8.593 7.970 0.623 25852 4129 1 6 . 1 1 142 142 VAL N N 142 118.383 118.383 117.770 0.613 25852 4130 1 6 . 1 1 142 142 VAL HA H 142 2.986 2.986 3.841 -0.855 25852 4131 1 6 . 1 1 142 142 VAL CA C 142 64.432 64.432 64.724 -0.292 25852 4132 1 6 . 1 1 142 142 VAL CB C 142 28.908 28.908 31.715 -2.807 25852 4133 1 6 . 1 1 142 142 VAL H H 142 8.776 8.776 8.098 0.678 25852 4134 1 6 . 1 1 143 143 GLN N N 143 119.891 119.891 120.043 -0.152 25852 4135 1 6 . 1 1 143 143 GLN HA H 143 3.671 3.671 3.929 -0.258 25852 4136 1 6 . 1 1 143 143 GLN CA C 143 56.514 56.514 59.368 -2.854 25852 4137 1 6 . 1 1 143 143 GLN CB C 143 25.246 25.246 28.388 -3.142 25852 4138 1 6 . 1 1 143 143 GLN H H 143 7.787 7.787 7.943 -0.156 25852 4139 1 6 . 1 1 144 144 MET N N 144 118.429 118.429 115.859 2.570 25852 4140 1 6 . 1 1 144 144 MET HA H 144 3.892 3.892 4.075 -0.183 25852 4141 1 6 . 1 1 144 144 MET CA C 144 55.683 55.683 58.444 -2.761 25852 4142 1 6 . 1 1 144 144 MET CB C 144 28.110 28.110 31.911 -3.801 25852 4143 1 6 . 1 1 144 144 MET H H 144 7.450 7.450 7.986 -0.536 25852 4144 1 6 . 1 1 145 145 MET N N 145 114.145 114.145 115.631 -1.486 25852 4145 1 6 . 1 1 145 145 MET HA H 145 3.905 3.905 4.474 -0.569 25852 4146 1 6 . 1 1 145 145 MET CA C 145 53.630 53.630 57.529 -3.899 25852 4147 1 6 . 1 1 145 145 MET CB C 145 29.592 29.592 32.702 -3.110 25852 4148 1 6 . 1 1 145 145 MET H H 145 7.724 7.724 8.235 -0.511 25852 4149 1 6 . 1 1 146 146 THR N N 146 108.482 108.482 113.378 -4.896 25852 4150 1 6 . 1 1 146 146 THR HA H 146 4.170 4.170 4.389 -0.219 25852 4151 1 6 . 1 1 146 146 THR CA C 146 59.251 59.251 61.973 -2.722 25852 4152 1 6 . 1 1 146 146 THR CB C 146 67.896 67.896 69.814 -1.918 25852 4153 1 6 . 1 1 146 146 THR H H 146 7.700 7.700 7.715 -0.015 25852 4154 1 6 . 1 1 147 147 ALA N N 147 126.469 126.469 124.777 1.692 25852 4155 1 6 . 1 1 147 147 ALA HA H 147 4.095 4.095 4.095 0.000 25852 4156 1 6 . 1 1 147 147 ALA CA C 147 50.307 50.307 53.998 -3.691 25852 4157 1 6 . 1 1 147 147 ALA CB C 147 16.336 16.336 19.175 -2.839 25852 4158 1 6 . 1 1 147 147 ALA H H 147 7.291 7.291 8.803 -1.512 25852 4159 1 7 . 1 1 3 3 GLN N N 3 118.120 118.120 122.035 -3.915 25852 4160 1 7 . 1 1 3 3 GLN HA H 3 4.688 4.688 4.354 0.334 25852 4161 1 7 . 1 1 3 3 GLN CA C 3 53.500 53.500 57.383 -3.883 25852 4162 1 7 . 1 1 3 3 GLN CB C 3 29.475 29.475 29.469 0.006 25852 4163 1 7 . 1 1 3 3 GLN H H 3 8.134 8.134 8.759 -0.625 25852 4164 1 7 . 1 1 4 4 LEU N N 4 121.407 121.407 116.034 5.373 25852 4165 1 7 . 1 1 4 4 LEU HA H 4 4.460 4.460 4.664 -0.204 25852 4166 1 7 . 1 1 4 4 LEU CA C 4 51.650 51.650 54.308 -2.658 25852 4167 1 7 . 1 1 4 4 LEU CB C 4 40.715 40.715 42.326 -1.611 25852 4168 1 7 . 1 1 4 4 LEU H H 4 8.202 8.202 7.815 0.387 25852 4169 1 7 . 1 1 5 5 THR N N 5 112.733 112.733 109.569 3.164 25852 4170 1 7 . 1 1 5 5 THR HA H 5 4.265 4.265 4.527 -0.262 25852 4171 1 7 . 1 1 5 5 THR CA C 5 59.433 59.433 60.276 -0.843 25852 4172 1 7 . 1 1 5 5 THR CB C 5 67.475 67.475 70.242 -2.767 25852 4173 1 7 . 1 1 5 5 THR H H 5 8.691 8.691 7.806 0.885 25852 4174 1 7 . 1 1 6 6 GLU N N 6 119.971 119.971 119.897 0.074 25852 4175 1 7 . 1 1 6 6 GLU HA H 6 3.854 3.854 3.928 -0.074 25852 4176 1 7 . 1 1 6 6 GLU CA C 6 56.756 56.756 59.883 -3.127 25852 4177 1 7 . 1 1 6 6 GLU CB C 6 26.508 26.508 29.389 -2.881 25852 4178 1 7 . 1 1 6 6 GLU H H 6 8.953 8.953 8.896 0.057 25852 4179 1 7 . 1 1 7 7 GLU N N 7 119.133 119.133 118.787 0.346 25852 4180 1 7 . 1 1 7 7 GLU HA H 7 3.898 3.898 3.921 -0.023 25852 4181 1 7 . 1 1 7 7 GLU CA C 7 56.756 56.756 59.208 -2.451 25852 4182 1 7 . 1 1 7 7 GLU CB C 7 26.279 26.279 28.845 -2.566 25852 4183 1 7 . 1 1 7 7 GLU H H 7 8.653 8.653 8.416 0.237 25852 4184 1 7 . 1 1 8 8 GLN N N 8 120.207 120.207 117.736 2.471 25852 4185 1 7 . 1 1 8 8 GLN HA H 8 3.957 3.957 4.211 -0.254 25852 4186 1 7 . 1 1 8 8 GLN CA C 8 57.099 57.099 58.433 -1.334 25852 4187 1 7 . 1 1 8 8 GLN CB C 8 26.737 26.737 28.808 -2.071 25852 4188 1 7 . 1 1 8 8 GLN H H 8 7.645 7.645 7.657 -0.012 25852 4189 1 7 . 1 1 9 9 ILE N N 9 118.171 118.171 119.891 -1.720 25852 4190 1 7 . 1 1 9 9 ILE HA H 9 3.354 3.354 3.755 -0.401 25852 4191 1 7 . 1 1 9 9 ILE CA C 9 62.714 62.714 62.611 0.103 25852 4192 1 7 . 1 1 9 9 ILE CB C 9 35.216 35.216 36.429 -1.213 25852 4193 1 7 . 1 1 9 9 ILE H H 9 8.153 8.153 7.307 0.846 25852 4194 1 7 . 1 1 10 10 ALA N N 10 120.124 120.124 120.308 -0.184 25852 4195 1 7 . 1 1 10 10 ALA HA H 10 3.966 3.966 4.105 -0.139 25852 4196 1 7 . 1 1 10 10 ALA CA C 10 52.746 52.746 54.942 -2.196 25852 4197 1 7 . 1 1 10 10 ALA CB C 10 15.165 15.165 19.175 -4.010 25852 4198 1 7 . 1 1 10 10 ALA H H 10 7.835 7.835 8.467 -0.632 25852 4199 1 7 . 1 1 11 11 GLU N N 11 119.983 119.983 113.894 6.089 25852 4200 1 7 . 1 1 11 11 GLU HA H 11 3.904 3.904 4.643 -0.739 25852 4201 1 7 . 1 1 11 11 GLU CA C 11 56.560 56.560 56.466 0.094 25852 4202 1 7 . 1 1 11 11 GLU CB C 11 27.425 27.425 31.688 -4.263 25852 4203 1 7 . 1 1 11 11 GLU H H 11 7.706 7.706 7.689 0.017 25852 4204 1 7 . 1 1 12 12 PHE N N 12 119.907 119.907 121.534 -1.627 25852 4205 1 7 . 1 1 12 12 PHE HA H 12 4.726 4.726 4.020 0.706 25852 4206 1 7 . 1 1 12 12 PHE CA C 12 55.839 55.839 60.933 -5.094 25852 4207 1 7 . 1 1 12 12 PHE CB C 12 33.955 33.955 39.297 -5.342 25852 4208 1 7 . 1 1 12 12 PHE H H 12 8.728 8.728 8.126 0.602 25852 4209 1 7 . 1 1 13 13 LYS N N 13 121.208 121.208 120.229 0.979 25852 4210 1 7 . 1 1 13 13 LYS HA H 13 3.904 3.904 4.134 -0.230 25852 4211 1 7 . 1 1 13 13 LYS CA C 13 57.290 57.290 60.106 -2.816 25852 4212 1 7 . 1 1 13 13 LYS CB C 13 30.174 30.174 31.982 -1.808 25852 4213 1 7 . 1 1 13 13 LYS H H 13 9.161 9.161 7.664 1.497 25852 4214 1 7 . 1 1 14 14 GLU N N 14 120.226 120.226 119.568 0.658 25852 4215 1 7 . 1 1 14 14 GLU HA H 14 3.953 3.953 4.107 -0.154 25852 4216 1 7 . 1 1 14 14 GLU CA C 14 56.460 56.460 58.591 -2.131 25852 4217 1 7 . 1 1 14 14 GLU CB C 14 26.623 26.623 28.745 -2.122 25852 4218 1 7 . 1 1 14 14 GLU H H 14 7.980 7.980 7.548 0.432 25852 4219 1 7 . 1 1 15 15 ALA N N 15 120.572 120.572 121.548 -0.976 25852 4220 1 7 . 1 1 15 15 ALA HA H 15 4.170 4.170 3.945 0.225 25852 4221 1 7 . 1 1 15 15 ALA CA C 15 52.750 52.750 54.372 -1.622 25852 4222 1 7 . 1 1 15 15 ALA CB C 15 16.425 16.425 17.871 -1.446 25852 4223 1 7 . 1 1 15 15 ALA H H 15 7.563 7.563 7.461 0.102 25852 4224 1 7 . 1 1 16 16 PHE N N 16 117.784 117.784 115.237 2.547 25852 4225 1 7 . 1 1 16 16 PHE HA H 16 3.904 3.904 4.519 -0.615 25852 4226 1 7 . 1 1 16 16 PHE CA C 16 59.540 59.540 59.124 0.416 25852 4227 1 7 . 1 1 16 16 PHE CB C 16 36.820 36.820 39.056 -2.236 25852 4228 1 7 . 1 1 16 16 PHE H H 16 8.453 8.453 6.974 1.479 25852 4229 1 7 . 1 1 17 17 SER N N 17 110.774 110.774 114.554 -3.780 25852 4230 1 7 . 1 1 17 17 SER HA H 17 4.086 4.086 4.438 -0.352 25852 4231 1 7 . 1 1 17 17 SER CA C 17 58.560 58.560 59.100 -0.540 25852 4232 1 7 . 1 1 17 17 SER CB C 17 60.651 60.651 62.940 -2.289 25852 4233 1 7 . 1 1 17 17 SER H H 17 8.351 8.351 7.902 0.449 25852 4234 1 7 . 1 1 18 18 LEU N N 18 120.947 120.947 120.726 0.221 25852 4235 1 7 . 1 1 18 18 LEU HA H 18 3.614 3.614 4.110 -0.496 25852 4236 1 7 . 1 1 18 18 LEU CA C 18 55.839 55.839 57.717 -1.878 25852 4237 1 7 . 1 1 18 18 LEU CB C 18 39.111 39.111 42.657 -3.546 25852 4238 1 7 . 1 1 18 18 LEU H H 18 7.278 7.278 8.285 -1.007 25852 4239 1 7 . 1 1 19 19 PHE N N 19 114.458 114.458 113.057 1.401 25852 4240 1 7 . 1 1 19 19 PHE HA H 19 3.904 3.904 4.548 -0.644 25852 4241 1 7 . 1 1 19 19 PHE CA C 19 56.870 56.870 57.935 -1.065 25852 4242 1 7 . 1 1 19 19 PHE CB C 19 33.841 33.841 41.602 -7.761 25852 4243 1 7 . 1 1 19 19 PHE H H 19 7.304 7.304 7.582 -0.278 25852 4244 1 7 . 1 1 20 20 ASP N N 20 122.233 122.233 121.136 1.097 25852 4245 1 7 . 1 1 20 20 ASP HA H 20 4.874 4.874 4.812 0.062 25852 4246 1 7 . 1 1 20 20 ASP CA C 20 50.454 50.454 53.311 -2.857 25852 4247 1 7 . 1 1 20 20 ASP CB C 20 37.622 37.622 39.688 -2.066 25852 4248 1 7 . 1 1 20 20 ASP H H 20 7.233 7.233 8.046 -0.814 25852 4249 1 7 . 1 1 21 21 LYS N N 21 123.433 123.433 122.748 0.685 25852 4250 1 7 . 1 1 21 21 LYS HA H 21 3.771 3.771 4.229 -0.458 25852 4251 1 7 . 1 1 21 21 LYS CA C 21 56.025 56.025 57.438 -1.413 25852 4252 1 7 . 1 1 21 21 LYS CB C 21 29.601 29.601 32.285 -2.684 25852 4253 1 7 . 1 1 21 21 LYS H H 21 8.007 8.007 7.988 0.019 25852 4254 1 7 . 1 1 22 22 ASP N N 22 116.890 116.890 119.018 -2.128 25852 4255 1 7 . 1 1 22 22 ASP HA H 22 4.400 4.400 4.516 -0.116 25852 4256 1 7 . 1 1 22 22 ASP CA C 22 50.683 50.683 54.312 -3.629 25852 4257 1 7 . 1 1 22 22 ASP CB C 22 37.049 37.049 40.361 -3.312 25852 4258 1 7 . 1 1 22 22 ASP H H 22 8.641 8.641 8.208 0.433 25852 4259 1 7 . 1 1 23 23 GLY N N 23 110.068 110.068 107.426 2.642 25852 4260 1 7 . 1 1 23 23 GLY CA C 23 43.745 43.745 45.157 -1.412 25852 4261 1 7 . 1 1 23 23 GLY H H 23 7.938 7.938 7.949 -0.011 25852 4262 1 7 . 1 1 24 24 ASP N N 24 120.219 120.219 120.124 0.095 25852 4263 1 7 . 1 1 24 24 ASP HA H 24 4.367 4.367 4.761 -0.394 25852 4264 1 7 . 1 1 24 24 ASP CA C 24 51.040 51.040 53.971 -2.931 25852 4265 1 7 . 1 1 24 24 ASP CB C 24 37.438 37.438 41.242 -3.804 25852 4266 1 7 . 1 1 24 24 ASP H H 24 8.723 8.723 8.535 0.188 25852 4267 1 7 . 1 1 25 25 GLY N N 25 111.889 111.889 109.668 2.221 25852 4268 1 7 . 1 1 25 25 GLY CA C 25 42.680 42.680 45.731 -3.051 25852 4269 1 7 . 1 1 25 25 GLY H H 25 10.132 10.132 8.103 2.029 25852 4270 1 7 . 1 1 26 26 THR N N 26 109.844 109.844 115.515 -5.671 25852 4271 1 7 . 1 1 26 26 THR HA H 26 5.386 5.386 4.486 0.900 25852 4272 1 7 . 1 1 26 26 THR CA C 26 56.950 56.950 59.947 -2.998 25852 4273 1 7 . 1 1 26 26 THR CB C 26 70.234 70.234 72.283 -2.049 25852 4274 1 7 . 1 1 26 26 THR H H 26 7.507 7.507 7.610 -0.103 25852 4275 1 7 . 1 1 27 27 ILE N N 27 110.289 110.289 116.428 -6.139 25852 4276 1 7 . 1 1 27 27 ILE HA H 27 3.891 3.891 4.526 -0.635 25852 4277 1 7 . 1 1 27 27 ILE CA C 27 58.360 58.360 60.628 -2.268 25852 4278 1 7 . 1 1 27 27 ILE CB C 27 35.559 35.559 38.918 -3.359 25852 4279 1 7 . 1 1 27 27 ILE H H 27 8.191 8.191 8.630 -0.439 25852 4280 1 7 . 1 1 28 28 THR N N 28 110.507 110.507 114.296 -3.789 25852 4281 1 7 . 1 1 28 28 THR HA H 28 4.895 4.895 4.567 0.328 25852 4282 1 7 . 1 1 28 28 THR CA C 28 57.787 57.787 61.698 -3.911 25852 4283 1 7 . 1 1 28 28 THR CB C 28 68.099 68.099 69.703 -1.604 25852 4284 1 7 . 1 1 28 28 THR H H 28 8.265 8.265 8.062 0.203 25852 4285 1 7 . 1 1 29 29 THR N N 29 112.331 112.331 115.149 -2.818 25852 4286 1 7 . 1 1 29 29 THR HA H 29 3.941 3.941 4.041 -0.100 25852 4287 1 7 . 1 1 29 29 THR CA C 29 63.840 63.840 65.793 -1.953 25852 4288 1 7 . 1 1 29 29 THR CB C 29 65.807 65.807 68.697 -2.890 25852 4289 1 7 . 1 1 29 29 THR H H 29 8.225 8.225 8.155 0.070 25852 4290 1 7 . 1 1 30 30 LYS N N 30 118.985 118.985 120.862 -1.877 25852 4291 1 7 . 1 1 30 30 LYS HA H 30 3.965 3.965 4.039 -0.074 25852 4292 1 7 . 1 1 30 30 LYS CA C 30 55.839 55.839 58.667 -2.828 25852 4293 1 7 . 1 1 30 30 LYS CB C 30 29.372 29.372 32.071 -2.699 25852 4294 1 7 . 1 1 30 30 LYS H H 30 7.559 7.559 8.654 -1.095 25852 4295 1 7 . 1 1 31 31 GLU N N 31 117.233 117.233 114.340 2.893 25852 4296 1 7 . 1 1 31 31 GLU HA H 31 3.965 3.965 4.178 -0.213 25852 4297 1 7 . 1 1 31 31 GLU CA C 31 57.140 57.140 56.491 0.649 25852 4298 1 7 . 1 1 31 31 GLU CB C 31 26.393 26.393 30.683 -4.290 25852 4299 1 7 . 1 1 31 31 GLU H H 31 7.431 7.431 7.698 -0.267 25852 4300 1 7 . 1 1 32 32 LEU N N 32 120.701 120.701 122.937 -2.236 25852 4301 1 7 . 1 1 32 32 LEU HA H 32 3.880 3.880 3.855 0.025 25852 4302 1 7 . 1 1 32 32 LEU CA C 32 55.520 55.520 57.928 -2.408 25852 4303 1 7 . 1 1 32 32 LEU CB C 32 39.226 39.226 41.347 -2.121 25852 4304 1 7 . 1 1 32 32 LEU H H 32 7.270 7.270 7.683 -0.413 25852 4305 1 7 . 1 1 33 33 GLY N N 33 105.217 105.217 105.748 -0.531 25852 4306 1 7 . 1 1 33 33 GLY CA C 33 45.642 45.642 47.678 -2.036 25852 4307 1 7 . 1 1 33 33 GLY H H 33 8.737 8.737 8.074 0.663 25852 4308 1 7 . 1 1 34 34 THR N N 34 118.196 118.196 118.366 -0.170 25852 4309 1 7 . 1 1 34 34 THR HA H 34 3.916 3.916 4.043 -0.127 25852 4310 1 7 . 1 1 34 34 THR CA C 34 63.859 63.859 66.089 -2.230 25852 4311 1 7 . 1 1 34 34 THR CB C 34 65.807 65.807 68.456 -2.649 25852 4312 1 7 . 1 1 34 34 THR H H 34 7.446 7.446 7.139 0.307 25852 4313 1 7 . 1 1 35 35 VAL N N 35 122.546 122.546 121.711 0.835 25852 4314 1 7 . 1 1 35 35 VAL HA H 35 3.373 3.373 3.855 -0.482 25852 4315 1 7 . 1 1 35 35 VAL CA C 35 64.088 64.088 65.527 -1.439 25852 4316 1 7 . 1 1 35 35 VAL CB C 35 28.799 28.799 31.035 -2.236 25852 4317 1 7 . 1 1 35 35 VAL H H 35 7.889 7.889 7.346 0.543 25852 4318 1 7 . 1 1 36 36 MET N N 36 118.307 118.307 117.775 0.532 25852 4319 1 7 . 1 1 36 36 MET HA H 36 3.880 3.880 4.143 -0.263 25852 4320 1 7 . 1 1 36 36 MET CA C 36 56.870 56.870 58.916 -2.046 25852 4321 1 7 . 1 1 36 36 MET CB C 36 26.279 26.279 32.862 -6.583 25852 4322 1 7 . 1 1 36 36 MET H H 36 8.386 8.386 7.946 0.440 25852 4323 1 7 . 1 1 37 37 ARG N N 37 119.233 119.233 118.958 0.275 25852 4324 1 7 . 1 1 37 37 ARG HA H 37 3.904 3.904 4.395 -0.491 25852 4325 1 7 . 1 1 37 37 ARG CA C 37 56.170 56.170 58.620 -2.450 25852 4326 1 7 . 1 1 37 37 ARG CB C 37 27.310 27.310 30.331 -3.021 25852 4327 1 7 . 1 1 37 37 ARG H H 37 8.451 8.451 8.236 0.215 25852 4328 1 7 . 1 1 38 38 SER N N 38 118.720 118.720 117.207 1.513 25852 4329 1 7 . 1 1 38 38 SER HA H 38 4.176 4.176 4.267 -0.091 25852 4330 1 7 . 1 1 38 38 SER CA C 38 59.250 59.250 60.922 -1.672 25852 4331 1 7 . 1 1 38 38 SER CB C 38 67.411 67.411 62.876 4.535 25852 4332 1 7 . 1 1 38 38 SER H H 38 8.040 8.040 8.322 -0.282 25852 4333 1 7 . 1 1 39 39 LEU N N 39 120.896 120.896 119.748 1.148 25852 4334 1 7 . 1 1 39 39 LEU HA H 39 4.460 4.460 4.386 0.074 25852 4335 1 7 . 1 1 39 39 LEU CA C 39 51.330 51.330 55.197 -3.867 25852 4336 1 7 . 1 1 39 39 LEU CB C 39 40.257 40.257 42.210 -1.953 25852 4337 1 7 . 1 1 39 39 LEU H H 39 7.263 7.263 7.439 -0.176 25852 4338 1 7 . 1 1 40 40 GLY N N 40 106.917 106.917 106.533 0.384 25852 4339 1 7 . 1 1 40 40 GLY CA C 40 42.880 42.880 44.534 -1.654 25852 4340 1 7 . 1 1 40 40 GLY H H 40 7.841 7.841 7.902 -0.061 25852 4341 1 7 . 1 1 41 41 GLN N N 41 117.171 117.171 120.386 -3.215 25852 4342 1 7 . 1 1 41 41 GLN HA H 41 4.243 4.243 4.222 0.021 25852 4343 1 7 . 1 1 41 41 GLN CA C 41 52.631 52.631 55.773 -3.142 25852 4344 1 7 . 1 1 41 41 GLN CB C 41 30.747 30.747 29.577 1.170 25852 4345 1 7 . 1 1 41 41 GLN H H 41 7.687 7.687 7.753 -0.066 25852 4346 1 7 . 1 1 42 42 ASN N N 42 116.423 116.423 121.307 -4.884 25852 4347 1 7 . 1 1 42 42 ASN HA H 42 5.016 5.016 5.037 -0.021 25852 4348 1 7 . 1 1 42 42 ASN CA C 42 48.640 48.640 50.699 -2.059 25852 4349 1 7 . 1 1 42 42 ASN CB C 42 36.591 36.591 39.141 -2.550 25852 4350 1 7 . 1 1 42 42 ASN H H 42 8.601 8.601 8.692 -0.091 25852 4351 1 7 . 1 1 44 44 THR N N 44 113.033 113.033 113.177 -0.144 25852 4352 1 7 . 1 1 44 44 THR HA H 44 4.279 4.279 4.493 -0.214 25852 4353 1 7 . 1 1 44 44 THR CA C 44 57.640 57.640 59.676 -2.036 25852 4354 1 7 . 1 1 44 44 THR CB C 44 68.328 68.328 70.529 -2.201 25852 4355 1 7 . 1 1 44 44 THR H H 44 8.711 8.711 8.083 0.628 25852 4356 1 7 . 1 1 45 45 GLU N N 45 120.233 120.233 119.951 0.282 25852 4357 1 7 . 1 1 45 45 GLU HA H 45 3.892 3.892 4.231 -0.339 25852 4358 1 7 . 1 1 45 45 GLU CA C 45 56.756 56.756 58.524 -1.768 25852 4359 1 7 . 1 1 45 45 GLU CB C 45 26.393 26.393 29.770 -3.377 25852 4360 1 7 . 1 1 45 45 GLU H H 45 8.781 8.781 8.884 -0.103 25852 4361 1 7 . 1 1 46 46 ALA N N 46 120.833 120.833 122.345 -1.512 25852 4362 1 7 . 1 1 46 46 ALA HA H 46 3.868 3.868 4.214 -0.346 25852 4363 1 7 . 1 1 46 46 ALA CA C 46 52.310 52.310 54.638 -2.328 25852 4364 1 7 . 1 1 46 46 ALA CB C 46 15.394 15.394 18.562 -3.168 25852 4365 1 7 . 1 1 46 46 ALA H H 46 8.251 8.251 7.583 0.668 25852 4366 1 7 . 1 1 47 47 GLU N N 47 118.672 118.672 116.504 2.168 25852 4367 1 7 . 1 1 47 47 GLU HA H 47 3.965 3.965 4.284 -0.319 25852 4368 1 7 . 1 1 47 47 GLU CA C 47 56.641 56.641 58.161 -1.520 25852 4369 1 7 . 1 1 47 47 GLU CB C 47 26.623 26.623 29.745 -3.122 25852 4370 1 7 . 1 1 47 47 GLU H H 47 7.668 7.668 8.411 -0.743 25852 4371 1 7 . 1 1 48 48 LEU N N 48 119.645 119.645 119.884 -0.239 25852 4372 1 7 . 1 1 48 48 LEU HA H 48 3.892 3.892 4.186 -0.294 25852 4373 1 7 . 1 1 48 48 LEU CA C 48 55.610 55.610 57.476 -1.866 25852 4374 1 7 . 1 1 48 48 LEU CB C 48 39.340 39.340 41.293 -1.953 25852 4375 1 7 . 1 1 48 48 LEU H H 48 8.244 8.244 7.540 0.704 25852 4376 1 7 . 1 1 49 49 GLN N N 49 117.446 117.446 117.503 -0.057 25852 4377 1 7 . 1 1 49 49 GLN HA H 49 3.892 3.892 4.275 -0.383 25852 4378 1 7 . 1 1 49 49 GLN CA C 49 56.756 56.756 58.190 -1.433 25852 4379 1 7 . 1 1 49 49 GLN CB C 49 26.508 26.508 28.868 -2.360 25852 4380 1 7 . 1 1 49 49 GLN H H 49 7.980 7.980 7.819 0.161 25852 4381 1 7 . 1 1 50 50 ASP N N 50 118.733 118.733 120.379 -1.646 25852 4382 1 7 . 1 1 50 50 ASP HA H 50 4.267 4.267 4.576 -0.309 25852 4383 1 7 . 1 1 50 50 ASP CA C 50 54.700 54.700 56.742 -2.042 25852 4384 1 7 . 1 1 50 50 ASP CB C 50 37.622 37.622 41.156 -3.534 25852 4385 1 7 . 1 1 50 50 ASP H H 50 7.761 7.761 7.654 0.107 25852 4386 1 7 . 1 1 51 51 MET N N 51 118.996 118.996 118.749 0.247 25852 4387 1 7 . 1 1 51 51 MET HA H 51 3.892 3.892 4.619 -0.727 25852 4388 1 7 . 1 1 51 51 MET CA C 51 56.560 56.560 56.704 -0.144 25852 4389 1 7 . 1 1 51 51 MET CB C 51 29.601 29.601 33.264 -3.663 25852 4390 1 7 . 1 1 51 51 MET H H 51 7.900 7.900 8.364 -0.464 25852 4391 1 7 . 1 1 52 52 ILE N N 52 118.833 118.833 120.446 -1.613 25852 4392 1 7 . 1 1 52 52 ILE HA H 52 3.348 3.348 3.715 -0.367 25852 4393 1 7 . 1 1 52 52 ILE CA C 52 62.484 62.484 65.450 -2.966 25852 4394 1 7 . 1 1 52 52 ILE CB C 52 35.330 35.330 37.550 -2.220 25852 4395 1 7 . 1 1 52 52 ILE H H 52 8.261 8.261 7.754 0.507 25852 4396 1 7 . 1 1 53 53 ASN N N 53 117.296 117.296 117.631 -0.335 25852 4397 1 7 . 1 1 53 53 ASN HA H 53 4.243 4.243 4.450 -0.207 25852 4398 1 7 . 1 1 53 53 ASN CA C 53 53.090 53.090 56.181 -3.091 25852 4399 1 7 . 1 1 53 53 ASN CB C 53 35.330 35.330 38.509 -3.179 25852 4400 1 7 . 1 1 53 53 ASN H H 53 8.186 8.186 7.732 0.454 25852 4401 1 7 . 1 1 54 54 GLU N N 54 117.133 117.133 117.401 -0.268 25852 4402 1 7 . 1 1 54 54 GLU HA H 54 3.965 3.965 4.258 -0.293 25852 4403 1 7 . 1 1 54 54 GLU CA C 54 56.412 56.412 57.817 -1.405 25852 4404 1 7 . 1 1 54 54 GLU CB C 54 26.508 26.508 30.221 -3.713 25852 4405 1 7 . 1 1 54 54 GLU H H 54 7.501 7.501 7.566 -0.065 25852 4406 1 7 . 1 1 55 55 VAL N N 55 112.928 112.928 119.074 -6.146 25852 4407 1 7 . 1 1 55 55 VAL HA H 55 4.194 4.194 3.962 0.232 25852 4408 1 7 . 1 1 55 55 VAL CA C 55 59.505 59.505 66.348 -6.843 25852 4409 1 7 . 1 1 55 55 VAL CB C 55 30.174 30.174 32.783 -2.609 25852 4410 1 7 . 1 1 55 55 VAL H H 55 7.575 7.575 8.066 -0.491 25852 4411 1 7 . 1 1 56 56 ASP N N 56 121.771 121.771 119.174 2.597 25852 4412 1 7 . 1 1 56 56 ASP HA H 56 4.388 4.388 4.490 -0.102 25852 4413 1 7 . 1 1 56 56 ASP CA C 56 50.990 50.990 54.610 -3.620 25852 4414 1 7 . 1 1 56 56 ASP CB C 56 36.820 36.820 40.112 -3.292 25852 4415 1 7 . 1 1 56 56 ASP H H 56 8.401 8.401 8.107 0.294 25852 4416 1 7 . 1 1 57 57 ALA N N 57 124.771 124.771 121.063 3.708 25852 4417 1 7 . 1 1 57 57 ALA HA H 57 4.001 4.001 4.302 -0.301 25852 4418 1 7 . 1 1 57 57 ALA CA C 57 52.402 52.402 53.263 -0.861 25852 4419 1 7 . 1 1 57 57 ALA CB C 57 15.280 15.280 19.699 -4.419 25852 4420 1 7 . 1 1 57 57 ALA H H 57 8.097 8.097 7.957 0.140 25852 4421 1 7 . 1 1 58 58 ASP N N 58 114.518 114.518 118.565 -4.047 25852 4422 1 7 . 1 1 58 58 ASP HA H 58 4.400 4.400 4.671 -0.271 25852 4423 1 7 . 1 1 58 58 ASP CA C 58 50.798 50.798 54.382 -3.583 25852 4424 1 7 . 1 1 58 58 ASP CB C 58 36.934 36.934 42.386 -5.452 25852 4425 1 7 . 1 1 58 58 ASP H H 58 8.376 8.376 7.718 0.658 25852 4426 1 7 . 1 1 59 59 GLY N N 59 108.798 108.798 108.337 0.461 25852 4427 1 7 . 1 1 59 59 GLY CA C 59 44.490 44.490 45.498 -1.008 25852 4428 1 7 . 1 1 59 59 GLY H H 59 7.827 7.827 8.622 -0.795 25852 4429 1 7 . 1 1 60 60 ASN N N 60 119.696 119.696 117.962 1.734 25852 4430 1 7 . 1 1 60 60 ASN HA H 60 4.688 4.688 4.827 -0.139 25852 4431 1 7 . 1 1 60 60 ASN CA C 60 51.943 51.943 53.143 -1.200 25852 4432 1 7 . 1 1 60 60 ASN CB C 60 38.424 38.424 39.095 -0.671 25852 4433 1 7 . 1 1 60 60 ASN H H 60 9.253 9.253 8.462 0.791 25852 4434 1 7 . 1 1 61 61 GLY N N 61 110.108 110.108 109.094 1.014 25852 4435 1 7 . 1 1 61 61 GLY CA C 61 42.870 42.870 45.361 -2.491 25852 4436 1 7 . 1 1 61 61 GLY H H 61 10.004 10.004 8.678 1.326 25852 4437 1 7 . 1 1 62 62 THR N N 62 110.533 110.533 111.867 -1.334 25852 4438 1 7 . 1 1 62 62 THR HA H 62 4.629 4.629 4.924 -0.295 25852 4439 1 7 . 1 1 62 62 THR CA C 62 59.162 59.162 59.852 -0.690 25852 4440 1 7 . 1 1 62 62 THR CB C 62 67.526 67.526 72.932 -5.406 25852 4441 1 7 . 1 1 62 62 THR H H 62 7.481 7.481 7.415 0.066 25852 4442 1 7 . 1 1 63 63 ILE N N 63 118.533 118.533 123.415 -4.882 25852 4443 1 7 . 1 1 63 63 ILE HA H 63 3.783 3.783 4.446 -0.663 25852 4444 1 7 . 1 1 63 63 ILE CA C 63 60.537 60.537 59.578 0.959 25852 4445 1 7 . 1 1 63 63 ILE CB C 63 36.018 36.018 37.425 -1.407 25852 4446 1 7 . 1 1 63 63 ILE H H 63 8.820 8.820 8.361 0.459 25852 4447 1 7 . 1 1 64 64 ASP N N 64 122.928 122.928 124.763 -1.835 25852 4448 1 7 . 1 1 64 64 ASP HA H 64 4.327 4.327 4.403 -0.076 25852 4449 1 7 . 1 1 64 64 ASP CA C 64 51.027 51.027 54.178 -3.151 25852 4450 1 7 . 1 1 64 64 ASP CB C 64 37.278 37.278 41.556 -4.278 25852 4451 1 7 . 1 1 64 64 ASP H H 64 8.380 8.380 8.171 0.209 25852 4452 1 7 . 1 1 65 65 PHE N N 65 118.559 118.559 116.705 1.854 25852 4453 1 7 . 1 1 65 65 PHE HA H 65 3.880 3.880 5.119 -1.239 25852 4454 1 7 . 1 1 65 65 PHE CA C 65 56.870 56.870 60.920 -4.050 25852 4455 1 7 . 1 1 65 65 PHE CB C 65 33.497 33.497 36.478 -2.981 25852 4456 1 7 . 1 1 65 65 PHE H H 65 8.559 8.559 8.249 0.310 25852 4457 1 7 . 1 1 67 67 GLU N N 67 117.546 117.546 114.734 2.812 25852 4458 1 7 . 1 1 67 67 GLU HA H 67 3.904 3.904 4.324 -0.420 25852 4459 1 7 . 1 1 67 67 GLU CA C 67 56.870 56.870 57.734 -0.865 25852 4460 1 7 . 1 1 67 67 GLU CB C 67 26.623 26.623 30.034 -3.411 25852 4461 1 7 . 1 1 67 67 GLU H H 67 7.995 7.995 8.293 -0.298 25852 4462 1 7 . 1 1 68 68 PHE N N 68 122.032 122.032 121.300 0.732 25852 4463 1 7 . 1 1 68 68 PHE HA H 68 3.904 3.904 4.418 -0.514 25852 4464 1 7 . 1 1 68 68 PHE CA C 68 59.047 59.047 61.524 -2.477 25852 4465 1 7 . 1 1 68 68 PHE CB C 68 36.934 36.934 40.004 -3.070 25852 4466 1 7 . 1 1 68 68 PHE H H 68 8.377 8.377 7.764 0.613 25852 4467 1 7 . 1 1 69 69 LEU N N 69 118.488 118.488 118.792 -0.304 25852 4468 1 7 . 1 1 69 69 LEU HA H 69 3.179 3.179 3.628 -0.449 25852 4469 1 7 . 1 1 69 69 LEU CA C 69 55.158 55.158 58.072 -2.914 25852 4470 1 7 . 1 1 69 69 LEU CB C 69 38.195 38.195 41.454 -3.259 25852 4471 1 7 . 1 1 69 69 LEU H H 69 8.393 8.393 7.603 0.790 25852 4472 1 7 . 1 1 70 70 THR N N 70 115.208 115.208 113.693 1.515 25852 4473 1 7 . 1 1 70 70 THR HA H 70 3.638 3.638 3.857 -0.219 25852 4474 1 7 . 1 1 70 70 THR CA C 70 63.630 63.630 66.704 -3.074 25852 4475 1 7 . 1 1 70 70 THR CB C 70 65.578 65.578 68.337 -2.759 25852 4476 1 7 . 1 1 70 70 THR H H 70 7.658 7.658 8.345 -0.687 25852 4477 1 7 . 1 1 71 71 MET N N 71 121.221 121.221 118.347 2.874 25852 4478 1 7 . 1 1 71 71 MET HA H 71 3.892 3.892 4.281 -0.389 25852 4479 1 7 . 1 1 71 71 MET CA C 71 56.303 56.303 58.226 -1.923 25852 4480 1 7 . 1 1 71 71 MET CB C 71 29.831 29.831 31.897 -2.066 25852 4481 1 7 . 1 1 71 71 MET H H 71 7.653 7.653 7.539 0.114 25852 4482 1 7 . 1 1 72 72 MET N N 72 117.459 117.459 118.240 -0.781 25852 4483 1 7 . 1 1 72 72 MET HA H 72 3.892 3.892 4.363 -0.471 25852 4484 1 7 . 1 1 72 72 MET CA C 72 53.777 53.777 57.600 -3.823 25852 4485 1 7 . 1 1 72 72 MET CB C 72 29.029 29.029 32.632 -3.603 25852 4486 1 7 . 1 1 72 72 MET H H 72 7.956 7.956 7.657 0.299 25852 4487 1 7 . 1 1 73 73 ALA N N 73 120.856 120.856 120.736 0.120 25852 4488 1 7 . 1 1 73 73 ALA HA H 73 3.868 3.868 4.297 -0.429 25852 4489 1 7 . 1 1 73 73 ALA CA C 73 52.402 52.402 54.129 -1.726 25852 4490 1 7 . 1 1 73 73 ALA CB C 73 15.280 15.280 19.021 -3.741 25852 4491 1 7 . 1 1 73 73 ALA H H 73 8.230 8.230 8.214 0.016 25852 4492 1 7 . 1 1 74 74 ARG N N 74 116.530 116.530 117.650 -1.120 25852 4493 1 7 . 1 1 74 74 ARG HA H 74 3.892 3.892 4.219 -0.327 25852 4494 1 7 . 1 1 74 74 ARG CA C 74 56.297 56.297 57.956 -1.659 25852 4495 1 7 . 1 1 74 74 ARG CB C 74 27.997 27.997 29.656 -1.659 25852 4496 1 7 . 1 1 74 74 ARG H H 74 7.409 7.409 7.544 -0.135 25852 4497 1 7 . 1 1 75 75 LYS N N 75 118.008 118.008 118.467 -0.459 25852 4498 1 7 . 1 1 75 75 LYS HA H 75 3.965 3.965 4.136 -0.171 25852 4499 1 7 . 1 1 75 75 LYS CA C 75 55.495 55.495 58.678 -3.183 25852 4500 1 7 . 1 1 75 75 LYS CB C 75 26.279 26.279 32.268 -5.989 25852 4501 1 7 . 1 1 75 75 LYS H H 75 7.657 7.657 7.924 -0.267 25852 4502 1 7 . 1 1 76 76 MET N N 76 117.646 117.646 111.188 6.458 25852 4503 1 7 . 1 1 76 76 MET HA H 76 4.146 4.146 4.797 -0.651 25852 4504 1 7 . 1 1 76 76 MET CA C 76 53.947 53.947 56.275 -2.328 25852 4505 1 7 . 1 1 76 76 MET CB C 76 29.487 29.487 34.424 -4.937 25852 4506 1 7 . 1 1 76 76 MET H H 76 7.883 7.883 7.412 0.471 25852 4507 1 7 . 1 1 77 77 LYS N N 77 120.334 120.334 118.754 1.580 25852 4508 1 7 . 1 1 77 77 LYS HA H 77 3.941 3.941 4.132 -0.191 25852 4509 1 7 . 1 1 77 77 LYS CA C 77 56.526 56.526 58.581 -2.055 25852 4510 1 7 . 1 1 77 77 LYS CB C 77 27.425 27.425 32.975 -5.551 25852 4511 1 7 . 1 1 77 77 LYS H H 77 7.658 7.658 7.778 -0.120 25852 4512 1 7 . 1 1 78 78 ASP N N 78 121.733 121.733 115.876 5.857 25852 4513 1 7 . 1 1 78 78 ASP HA H 78 4.194 4.194 4.599 -0.405 25852 4514 1 7 . 1 1 78 78 ASP CA C 78 52.516 52.516 55.077 -2.561 25852 4515 1 7 . 1 1 78 78 ASP CB C 78 40.028 40.028 40.906 -0.878 25852 4516 1 7 . 1 1 78 78 ASP H H 78 8.212 8.212 7.658 0.554 25852 4517 1 7 . 1 1 79 79 THR N N 79 114.651 114.651 116.084 -1.433 25852 4518 1 7 . 1 1 79 79 THR HA H 79 4.170 4.170 4.155 0.015 25852 4519 1 7 . 1 1 79 79 THR CA C 79 59.391 59.391 62.209 -2.818 25852 4520 1 7 . 1 1 79 79 THR CB C 79 67.067 67.067 67.494 -0.427 25852 4521 1 7 . 1 1 79 79 THR H H 79 8.048 8.048 8.023 0.025 25852 4522 1 7 . 1 1 80 80 ASP N N 80 122.484 122.484 121.810 0.674 25852 4523 1 7 . 1 1 80 80 ASP HA H 80 4.363 4.363 4.379 -0.016 25852 4524 1 7 . 1 1 80 80 ASP CA C 80 50.850 50.850 55.345 -4.495 25852 4525 1 7 . 1 1 80 80 ASP CB C 80 36.705 36.705 41.142 -4.437 25852 4526 1 7 . 1 1 80 80 ASP H H 80 8.432 8.432 8.211 0.221 25852 4527 1 7 . 1 1 81 81 SER N N 81 117.135 117.135 118.118 -0.983 25852 4528 1 7 . 1 1 81 81 SER HA H 81 4.267 4.267 4.615 -0.348 25852 4529 1 7 . 1 1 81 81 SER CA C 81 56.870 56.870 60.007 -3.137 25852 4530 1 7 . 1 1 81 81 SER CB C 81 60.884 60.884 63.867 -2.983 25852 4531 1 7 . 1 1 81 81 SER H H 81 8.403 8.403 8.622 -0.219 25852 4532 1 7 . 1 1 82 82 GLU N N 82 121.723 121.723 121.575 0.148 25852 4533 1 7 . 1 1 82 82 GLU HA H 82 3.883 3.883 4.288 -0.405 25852 4534 1 7 . 1 1 82 82 GLU CA C 82 56.707 56.707 58.578 -1.871 25852 4535 1 7 . 1 1 82 82 GLU CB C 82 29.831 29.831 29.397 0.434 25852 4536 1 7 . 1 1 82 82 GLU H H 82 8.443 8.443 8.262 0.181 25852 4537 1 7 . 1 1 83 83 GLU N N 83 119.259 119.259 118.204 1.055 25852 4538 1 7 . 1 1 83 83 GLU HA H 83 3.883 3.883 4.103 -0.220 25852 4539 1 7 . 1 1 83 83 GLU CA C 83 56.606 56.606 58.676 -2.070 25852 4540 1 7 . 1 1 83 83 GLU CB C 83 29.364 29.364 29.169 0.195 25852 4541 1 7 . 1 1 83 83 GLU H H 83 8.118 8.118 8.693 -0.575 25852 4542 1 7 . 1 1 84 84 GLU N N 84 118.060 118.060 117.459 0.601 25852 4543 1 7 . 1 1 84 84 GLU HA H 84 3.871 3.871 4.382 -0.511 25852 4544 1 7 . 1 1 84 84 GLU CA C 84 56.606 56.606 58.444 -1.838 25852 4545 1 7 . 1 1 84 84 GLU CB C 84 25.817 25.817 29.546 -3.729 25852 4546 1 7 . 1 1 84 84 GLU H H 84 8.212 8.212 7.884 0.328 25852 4547 1 7 . 1 1 85 85 ILE N N 85 120.736 120.736 117.781 2.955 25852 4548 1 7 . 1 1 85 85 ILE HA H 85 3.678 3.678 4.157 -0.479 25852 4549 1 7 . 1 1 85 85 ILE CA C 85 62.484 62.484 63.898 -1.414 25852 4550 1 7 . 1 1 85 85 ILE CB C 85 35.445 35.445 38.593 -3.148 25852 4551 1 7 . 1 1 85 85 ILE H H 85 7.964 7.964 7.343 0.621 25852 4552 1 7 . 1 1 86 86 ARG N N 86 121.452 121.452 120.242 1.210 25852 4553 1 7 . 1 1 86 86 ARG HA H 86 3.989 3.989 4.052 -0.063 25852 4554 1 7 . 1 1 86 86 ARG CA C 86 56.985 56.985 58.955 -1.970 25852 4555 1 7 . 1 1 86 86 ARG CB C 86 26.856 26.856 29.611 -2.755 25852 4556 1 7 . 1 1 86 86 ARG H H 86 8.351 8.351 7.912 0.439 25852 4557 1 7 . 1 1 87 87 GLU N N 87 118.288 118.288 118.676 -0.388 25852 4558 1 7 . 1 1 87 87 GLU HA H 87 3.861 3.861 4.263 -0.402 25852 4559 1 7 . 1 1 87 87 GLU CA C 87 56.606 56.606 58.514 -1.907 25852 4560 1 7 . 1 1 87 87 GLU CB C 87 25.817 25.817 29.503 -3.686 25852 4561 1 7 . 1 1 87 87 GLU H H 87 8.238 8.238 7.805 0.433 25852 4562 1 7 . 1 1 88 88 ALA N N 88 120.408 120.408 121.986 -1.578 25852 4563 1 7 . 1 1 88 88 ALA HA H 88 4.013 4.013 4.338 -0.325 25852 4564 1 7 . 1 1 88 88 ALA CA C 88 52.263 52.263 54.625 -2.362 25852 4565 1 7 . 1 1 88 88 ALA CB C 88 15.080 15.080 18.625 -3.545 25852 4566 1 7 . 1 1 88 88 ALA H H 88 7.960 7.960 8.334 -0.374 25852 4567 1 7 . 1 1 89 89 PHE N N 89 118.123 118.123 117.357 0.766 25852 4568 1 7 . 1 1 89 89 PHE HA H 89 3.058 3.058 4.348 -1.290 25852 4569 1 7 . 1 1 89 89 PHE CA C 89 59.703 59.703 60.066 -0.363 25852 4570 1 7 . 1 1 89 89 PHE CB C 89 36.774 36.774 38.774 -2.000 25852 4571 1 7 . 1 1 89 89 PHE H H 89 8.498 8.498 7.564 0.934 25852 4572 1 7 . 1 1 90 90 ARG N N 90 116.002 116.002 118.874 -2.872 25852 4573 1 7 . 1 1 90 90 ARG HA H 90 3.892 3.892 4.220 -0.328 25852 4574 1 7 . 1 1 90 90 ARG CA C 90 56.168 56.168 57.772 -1.603 25852 4575 1 7 . 1 1 90 90 ARG CB C 90 27.654 27.654 30.300 -2.646 25852 4576 1 7 . 1 1 90 90 ARG H H 90 7.860 7.860 7.646 0.214 25852 4577 1 7 . 1 1 91 91 VAL N N 91 118.008 118.008 117.834 0.174 25852 4578 1 7 . 1 1 91 91 VAL HA H 91 3.243 3.243 3.853 -0.610 25852 4579 1 7 . 1 1 91 91 VAL CA C 91 63.357 63.357 64.882 -1.525 25852 4580 1 7 . 1 1 91 91 VAL CB C 91 28.444 28.444 32.270 -3.826 25852 4581 1 7 . 1 1 91 91 VAL H H 91 7.300 7.300 7.487 -0.187 25852 4582 1 7 . 1 1 92 92 PHE N N 92 113.024 113.024 114.674 -1.650 25852 4583 1 7 . 1 1 92 92 PHE HA H 92 3.967 3.967 4.358 -0.391 25852 4584 1 7 . 1 1 92 92 PHE CA C 92 57.558 57.558 59.416 -1.859 25852 4585 1 7 . 1 1 92 92 PHE CB C 92 38.838 38.838 40.531 -1.693 25852 4586 1 7 . 1 1 92 92 PHE H H 92 6.805 6.805 7.849 -1.044 25852 4587 1 7 . 1 1 93 93 ASP N N 93 116.393 116.393 119.909 -3.516 25852 4588 1 7 . 1 1 93 93 ASP HA H 93 4.496 4.496 4.332 0.164 25852 4589 1 7 . 1 1 93 93 ASP CA C 93 49.525 49.525 55.090 -5.565 25852 4590 1 7 . 1 1 93 93 ASP CB C 93 35.788 35.788 40.190 -4.402 25852 4591 1 7 . 1 1 93 93 ASP H H 93 8.018 8.018 7.939 0.079 25852 4592 1 7 . 1 1 94 94 LYS N N 94 125.158 125.158 123.696 1.462 25852 4593 1 7 . 1 1 94 94 LYS HA H 94 3.892 3.892 4.143 -0.251 25852 4594 1 7 . 1 1 94 94 LYS CA C 94 56.183 56.183 58.290 -2.107 25852 4595 1 7 . 1 1 94 94 LYS CB C 94 29.945 29.945 32.952 -3.006 25852 4596 1 7 . 1 1 94 94 LYS H H 94 7.721 7.721 7.835 -0.114 25852 4597 1 7 . 1 1 95 95 ASP N N 95 113.893 113.893 118.082 -4.189 25852 4598 1 7 . 1 1 95 95 ASP HA H 95 4.415 4.415 4.493 -0.078 25852 4599 1 7 . 1 1 95 95 ASP CA C 95 50.683 50.683 54.859 -4.176 25852 4600 1 7 . 1 1 95 95 ASP CB C 95 36.774 36.774 40.437 -3.663 25852 4601 1 7 . 1 1 95 95 ASP H H 95 8.156 8.156 8.301 -0.145 25852 4602 1 7 . 1 1 96 96 GLY N N 96 108.799 108.799 107.210 1.589 25852 4603 1 7 . 1 1 96 96 GLY CA C 96 44.344 44.344 46.008 -1.664 25852 4604 1 7 . 1 1 96 96 GLY H H 96 7.717 7.717 8.422 -0.705 25852 4605 1 7 . 1 1 97 97 ASN N N 97 119.381 119.381 118.314 1.067 25852 4606 1 7 . 1 1 97 97 ASN HA H 97 4.500 4.500 4.756 -0.256 25852 4607 1 7 . 1 1 97 97 ASN CA C 97 49.916 49.916 53.242 -3.326 25852 4608 1 7 . 1 1 97 97 ASN CB C 97 35.183 35.183 39.518 -4.335 25852 4609 1 7 . 1 1 97 97 ASN H H 97 8.312 8.312 8.363 -0.051 25852 4610 1 7 . 1 1 98 98 GLY N N 98 112.330 112.330 107.034 5.296 25852 4611 1 7 . 1 1 98 98 GLY CA C 98 42.434 42.434 45.510 -3.076 25852 4612 1 7 . 1 1 98 98 GLY H H 98 10.555 10.555 8.016 2.539 25852 4613 1 7 . 1 1 99 99 TYR N N 99 116.075 116.075 119.383 -3.308 25852 4614 1 7 . 1 1 99 99 TYR HA H 99 4.871 4.871 5.251 -0.380 25852 4615 1 7 . 1 1 99 99 TYR CA C 99 53.582 53.582 56.337 -2.756 25852 4616 1 7 . 1 1 99 99 TYR CB C 99 39.981 39.981 40.387 -0.406 25852 4617 1 7 . 1 1 99 99 TYR H H 99 7.650 7.650 7.810 -0.160 25852 4618 1 7 . 1 1 100 100 ILE N N 100 126.834 126.834 125.831 1.003 25852 4619 1 7 . 1 1 100 100 ILE HA H 100 4.493 4.493 4.137 0.356 25852 4620 1 7 . 1 1 100 100 ILE CA C 100 58.616 58.616 61.386 -2.771 25852 4621 1 7 . 1 1 100 100 ILE CB C 100 35.903 35.903 36.487 -0.584 25852 4622 1 7 . 1 1 100 100 ILE H H 100 10.037 10.037 8.861 1.176 25852 4623 1 7 . 1 1 101 101 SER N N 101 123.486 123.486 123.403 0.083 25852 4624 1 7 . 1 1 101 101 SER HA H 101 4.738 4.738 4.814 -0.076 25852 4625 1 7 . 1 1 101 101 SER CA C 101 52.897 52.897 57.328 -4.431 25852 4626 1 7 . 1 1 101 101 SER CB C 101 64.134 64.134 64.507 -0.373 25852 4627 1 7 . 1 1 101 101 SER H H 101 8.904 8.904 7.970 0.934 25852 4628 1 7 . 1 1 102 102 ALA N N 102 122.796 122.796 122.881 -0.085 25852 4629 1 7 . 1 1 102 102 ALA HA H 102 3.747 3.747 4.015 -0.268 25852 4630 1 7 . 1 1 102 102 ALA CA C 102 53.093 53.093 54.993 -1.900 25852 4631 1 7 . 1 1 102 102 ALA CB C 102 15.114 15.114 18.243 -3.129 25852 4632 1 7 . 1 1 102 102 ALA H H 102 9.246 9.246 8.299 0.947 25852 4633 1 7 . 1 1 103 103 ALA N N 103 118.362 118.362 118.048 0.314 25852 4634 1 7 . 1 1 103 103 ALA HA H 103 3.861 3.861 4.154 -0.293 25852 4635 1 7 . 1 1 103 103 ALA CA C 103 52.409 52.409 53.753 -1.344 25852 4636 1 7 . 1 1 103 103 ALA CB C 103 15.456 15.456 18.635 -3.179 25852 4637 1 7 . 1 1 103 103 ALA H H 103 8.214 8.214 8.291 -0.077 25852 4638 1 7 . 1 1 104 104 GLU N N 104 120.187 120.187 120.257 -0.070 25852 4639 1 7 . 1 1 104 104 GLU HA H 104 3.904 3.904 4.213 -0.309 25852 4640 1 7 . 1 1 104 104 GLU CA C 104 56.563 56.563 58.486 -1.923 25852 4641 1 7 . 1 1 104 104 GLU CB C 104 26.400 26.400 29.628 -3.228 25852 4642 1 7 . 1 1 104 104 GLU H H 104 7.864 7.864 7.880 -0.016 25852 4643 1 7 . 1 1 105 105 LEU N N 105 121.050 121.050 120.407 0.643 25852 4644 1 7 . 1 1 105 105 LEU HA H 105 3.892 3.892 4.271 -0.379 25852 4645 1 7 . 1 1 105 105 LEU CA C 105 55.732 55.732 57.977 -2.245 25852 4646 1 7 . 1 1 105 105 LEU CB C 105 39.340 39.340 42.188 -2.848 25852 4647 1 7 . 1 1 105 105 LEU H H 105 8.341 8.341 8.425 -0.084 25852 4648 1 7 . 1 1 106 106 ARG N N 106 118.494 118.494 119.289 -0.795 25852 4649 1 7 . 1 1 106 106 ARG HA H 106 3.904 3.904 4.049 -0.145 25852 4650 1 7 . 1 1 106 106 ARG CA C 106 55.724 55.724 58.934 -3.210 25852 4651 1 7 . 1 1 106 106 ARG CB C 106 29.945 29.945 29.016 0.929 25852 4652 1 7 . 1 1 106 106 ARG H H 106 8.852 8.852 7.692 1.160 25852 4653 1 7 . 1 1 107 107 HIS N N 107 118.921 118.921 119.421 -0.500 25852 4654 1 7 . 1 1 107 107 HIS HA H 107 3.876 3.876 4.459 -0.583 25852 4655 1 7 . 1 1 107 107 HIS CA C 107 56.807 56.807 59.223 -2.416 25852 4656 1 7 . 1 1 107 107 HIS CB C 107 27.198 27.198 30.355 -3.157 25852 4657 1 7 . 1 1 107 107 HIS H H 107 8.045 8.045 8.538 -0.493 25852 4658 1 7 . 1 1 108 108 VAL N N 108 118.991 118.991 120.642 -1.651 25852 4659 1 7 . 1 1 108 108 VAL HA H 108 3.385 3.385 3.608 -0.223 25852 4660 1 7 . 1 1 108 108 VAL CA C 108 64.285 64.285 66.575 -2.290 25852 4661 1 7 . 1 1 108 108 VAL CB C 108 28.908 28.908 31.330 -2.422 25852 4662 1 7 . 1 1 108 108 VAL H H 108 7.766 7.766 8.609 -0.843 25852 4663 1 7 . 1 1 109 109 MET N N 109 115.789 115.789 119.223 -3.434 25852 4664 1 7 . 1 1 109 109 MET HA H 109 4.139 4.139 4.004 0.135 25852 4665 1 7 . 1 1 109 109 MET CA C 109 54.461 54.461 59.982 -5.521 25852 4666 1 7 . 1 1 109 109 MET CB C 109 29.706 29.706 32.444 -2.738 25852 4667 1 7 . 1 1 109 109 MET H H 109 8.333 8.333 8.646 -0.313 25852 4668 1 7 . 1 1 110 110 THR N N 110 116.700 116.700 112.699 4.001 25852 4669 1 7 . 1 1 110 110 THR HA H 110 3.935 3.935 4.160 -0.225 25852 4670 1 7 . 1 1 110 110 THR CA C 110 63.845 63.845 65.516 -1.671 25852 4671 1 7 . 1 1 110 110 THR CB C 110 66.072 66.072 67.894 -1.822 25852 4672 1 7 . 1 1 110 110 THR H H 110 8.603 8.603 8.236 0.367 25852 4673 1 7 . 1 1 111 111 ASN N N 111 123.354 123.354 119.309 4.045 25852 4674 1 7 . 1 1 111 111 ASN HA H 111 4.242 4.242 4.537 -0.295 25852 4675 1 7 . 1 1 111 111 ASN CA C 111 53.093 53.093 55.255 -2.162 25852 4676 1 7 . 1 1 111 111 ASN CB C 111 35.292 35.292 38.698 -3.406 25852 4677 1 7 . 1 1 111 111 ASN H H 111 7.991 7.991 7.348 0.643 25852 4678 1 7 . 1 1 112 112 LEU N N 112 118.291 118.291 116.830 1.461 25852 4679 1 7 . 1 1 112 112 LEU HA H 112 4.182 4.182 4.133 0.049 25852 4680 1 7 . 1 1 112 112 LEU CA C 112 52.653 52.653 56.233 -3.580 25852 4681 1 7 . 1 1 112 112 LEU CB C 112 39.738 39.738 42.731 -2.993 25852 4682 1 7 . 1 1 112 112 LEU H H 112 7.754 7.754 7.997 -0.243 25852 4683 1 7 . 1 1 113 113 GLY N N 113 106.894 106.894 103.998 2.896 25852 4684 1 7 . 1 1 113 113 GLY CA C 113 42.536 42.536 44.419 -1.883 25852 4685 1 7 . 1 1 113 113 GLY H H 113 7.778 7.778 8.012 -0.234 25852 4686 1 7 . 1 1 114 114 GLU N N 114 119.776 119.776 121.376 -1.600 25852 4687 1 7 . 1 1 114 114 GLU HA H 114 4.267 4.267 4.494 -0.227 25852 4688 1 7 . 1 1 114 114 GLU CA C 114 52.067 52.067 55.239 -3.172 25852 4689 1 7 . 1 1 114 114 GLU CB C 114 26.616 26.616 32.205 -5.589 25852 4690 1 7 . 1 1 114 114 GLU H H 114 7.957 7.957 8.502 -0.545 25852 4691 1 7 . 1 1 115 115 LYS N N 115 124.429 124.429 121.457 2.972 25852 4692 1 7 . 1 1 115 115 LYS HA H 115 4.255 4.255 4.476 -0.221 25852 4693 1 7 . 1 1 115 115 LYS CA C 115 52.848 52.848 55.586 -2.737 25852 4694 1 7 . 1 1 115 115 LYS CB C 115 30.518 30.518 33.510 -2.992 25852 4695 1 7 . 1 1 115 115 LYS H H 115 8.591 8.591 8.415 0.176 25852 4696 1 7 . 1 1 116 116 LEU N N 116 124.724 124.724 126.017 -1.293 25852 4697 1 7 . 1 1 116 116 LEU HA H 116 4.690 4.690 4.830 -0.140 25852 4698 1 7 . 1 1 116 116 LEU CA C 116 51.089 51.089 54.105 -3.016 25852 4699 1 7 . 1 1 116 116 LEU CB C 116 42.588 42.588 44.898 -2.311 25852 4700 1 7 . 1 1 116 116 LEU H H 116 8.066 8.066 8.479 -0.413 25852 4701 1 7 . 1 1 117 117 THR N N 117 113.912 113.912 118.095 -4.183 25852 4702 1 7 . 1 1 117 117 THR HA H 117 4.302 4.302 4.303 -0.001 25852 4703 1 7 . 1 1 117 117 THR CA C 117 57.834 57.834 61.746 -3.912 25852 4704 1 7 . 1 1 117 117 THR CB C 117 68.580 68.580 70.805 -2.225 25852 4705 1 7 . 1 1 117 117 THR H H 117 9.165 9.165 8.979 0.186 25852 4706 1 7 . 1 1 118 118 ASP N N 118 120.787 120.787 119.723 1.064 25852 4707 1 7 . 1 1 118 118 ASP HA H 118 4.061 4.061 4.436 -0.375 25852 4708 1 7 . 1 1 118 118 ASP CA C 118 55.243 55.243 57.766 -2.523 25852 4709 1 7 . 1 1 118 118 ASP CB C 118 37.002 37.002 40.951 -3.949 25852 4710 1 7 . 1 1 118 118 ASP H H 118 8.860 8.860 8.754 0.106 25852 4711 1 7 . 1 1 119 119 GLU N N 119 119.091 119.091 117.034 2.057 25852 4712 1 7 . 1 1 119 119 GLU HA H 119 3.892 3.892 4.196 -0.304 25852 4713 1 7 . 1 1 119 119 GLU CA C 119 57.149 57.149 58.007 -0.858 25852 4714 1 7 . 1 1 119 119 GLU CB C 119 25.931 25.931 29.212 -3.281 25852 4715 1 7 . 1 1 119 119 GLU H H 119 8.618 8.618 8.453 0.165 25852 4716 1 7 . 1 1 120 120 GLU N N 120 120.037 120.037 116.490 3.547 25852 4717 1 7 . 1 1 120 120 GLU HA H 120 3.880 3.880 4.256 -0.376 25852 4718 1 7 . 1 1 120 120 GLU CA C 120 56.319 56.319 57.450 -1.131 25852 4719 1 7 . 1 1 120 120 GLU CB C 120 25.830 25.830 29.874 -4.044 25852 4720 1 7 . 1 1 120 120 GLU H H 120 7.659 7.659 8.096 -0.437 25852 4721 1 7 . 1 1 121 121 VAL N N 121 122.512 122.512 113.925 8.587 25852 4722 1 7 . 1 1 121 121 VAL HA H 121 3.385 3.385 4.119 -0.734 25852 4723 1 7 . 1 1 121 121 VAL CA C 121 64.090 64.090 63.205 0.885 25852 4724 1 7 . 1 1 121 121 VAL CB C 121 28.680 28.680 31.717 -3.037 25852 4725 1 7 . 1 1 121 121 VAL H H 121 7.887 7.887 7.338 0.549 25852 4726 1 7 . 1 1 122 122 ASP N N 122 119.993 119.993 120.990 -0.997 25852 4727 1 7 . 1 1 122 122 ASP HA H 122 4.157 4.157 4.482 -0.325 25852 4728 1 7 . 1 1 122 122 ASP CA C 122 54.901 54.901 56.059 -1.158 25852 4729 1 7 . 1 1 122 122 ASP CB C 122 37.572 37.572 39.738 -2.166 25852 4730 1 7 . 1 1 122 122 ASP H H 122 7.973 7.973 8.102 -0.129 25852 4731 1 7 . 1 1 123 123 GLU N N 123 119.521 119.521 114.554 4.967 25852 4732 1 7 . 1 1 123 123 GLU HA H 123 3.880 3.880 4.504 -0.624 25852 4733 1 7 . 1 1 123 123 GLU CA C 123 56.612 56.612 56.645 -0.034 25852 4734 1 7 . 1 1 123 123 GLU CB C 123 26.172 26.172 30.595 -4.423 25852 4735 1 7 . 1 1 123 123 GLU H H 123 7.903 7.903 8.206 -0.303 25852 4736 1 7 . 1 1 124 124 MET N N 124 118.961 118.961 119.689 -0.728 25852 4737 1 7 . 1 1 124 124 MET HA H 124 3.892 3.892 4.403 -0.511 25852 4738 1 7 . 1 1 124 124 MET CA C 124 56.905 56.905 58.599 -1.694 25852 4739 1 7 . 1 1 124 124 MET CB C 124 29.250 29.250 34.562 -5.312 25852 4740 1 7 . 1 1 124 124 MET H H 124 7.496 7.496 7.804 -0.308 25852 4741 1 7 . 1 1 125 125 ILE N N 125 117.801 117.801 114.122 3.679 25852 4742 1 7 . 1 1 125 125 ILE HA H 125 3.409 3.409 4.096 -0.687 25852 4743 1 7 . 1 1 125 125 ILE CA C 125 60.131 60.131 62.856 -2.725 25852 4744 1 7 . 1 1 125 125 ILE CB C 125 33.240 33.240 36.879 -3.639 25852 4745 1 7 . 1 1 125 125 ILE H H 125 7.762 7.762 7.450 0.312 25852 4746 1 7 . 1 1 126 126 ARG N N 126 117.729 117.729 121.471 -3.742 25852 4747 1 7 . 1 1 126 126 ARG HA H 126 3.883 3.883 3.993 -0.110 25852 4748 1 7 . 1 1 126 126 ARG CA C 126 56.673 56.673 59.442 -2.769 25852 4749 1 7 . 1 1 126 126 ARG CB C 126 29.478 29.478 29.544 -0.066 25852 4750 1 7 . 1 1 126 126 ARG H H 126 8.055 8.055 8.559 -0.504 25852 4751 1 7 . 1 1 127 127 GLU N N 127 117.539 117.539 115.692 1.847 25852 4752 1 7 . 1 1 127 127 GLU HA H 127 3.861 3.861 4.205 -0.344 25852 4753 1 7 . 1 1 127 127 GLU CA C 127 56.319 56.319 57.991 -1.672 25852 4754 1 7 . 1 1 127 127 GLU CB C 127 26.286 26.286 28.644 -2.358 25852 4755 1 7 . 1 1 127 127 GLU H H 127 7.700 7.700 8.407 -0.707 25852 4756 1 7 . 1 1 128 128 ALA N N 128 116.677 116.677 119.836 -3.159 25852 4757 1 7 . 1 1 128 128 ALA HA H 128 4.500 4.500 4.379 0.121 25852 4758 1 7 . 1 1 128 128 ALA CA C 128 48.205 48.205 52.176 -3.971 25852 4759 1 7 . 1 1 128 128 ALA CB C 128 19.633 19.633 20.693 -1.060 25852 4760 1 7 . 1 1 128 128 ALA H H 128 7.223 7.223 7.525 -0.302 25852 4761 1 7 . 1 1 129 129 ASP N N 129 118.030 118.030 118.899 -0.869 25852 4762 1 7 . 1 1 129 129 ASP HA H 129 4.460 4.460 4.828 -0.368 25852 4763 1 7 . 1 1 129 129 ASP CA C 129 51.485 51.485 56.361 -4.876 25852 4764 1 7 . 1 1 129 129 ASP CB C 129 38.195 38.195 41.343 -3.148 25852 4765 1 7 . 1 1 129 129 ASP H H 129 7.895 7.895 8.439 -0.544 25852 4766 1 7 . 1 1 130 130 ILE N N 130 127.693 127.693 125.357 2.336 25852 4767 1 7 . 1 1 130 130 ILE HA H 130 3.797 3.797 3.997 -0.200 25852 4768 1 7 . 1 1 130 130 ILE CA C 130 60.522 60.522 63.351 -2.829 25852 4769 1 7 . 1 1 130 130 ILE CB C 130 36.090 36.090 38.795 -2.705 25852 4770 1 7 . 1 1 130 130 ILE H H 130 8.148 8.148 9.285 -1.137 25852 4771 1 7 . 1 1 131 131 ASP N N 131 116.409 116.409 120.082 -3.673 25852 4772 1 7 . 1 1 131 131 ASP HA H 131 4.376 4.376 4.519 -0.143 25852 4773 1 7 . 1 1 131 131 ASP CA C 131 51.187 51.187 55.289 -4.102 25852 4774 1 7 . 1 1 131 131 ASP CB C 131 37.468 37.468 41.665 -4.197 25852 4775 1 7 . 1 1 131 131 ASP H H 131 8.288 8.288 7.969 0.319 25852 4776 1 7 . 1 1 132 132 GLY N N 132 108.363 108.363 108.031 0.332 25852 4777 1 7 . 1 1 132 132 GLY CA C 132 44.638 44.638 45.270 -0.632 25852 4778 1 7 . 1 1 132 132 GLY H H 132 7.630 7.630 8.450 -0.820 25852 4779 1 7 . 1 1 133 133 ASP N N 133 120.183 120.183 120.501 -0.318 25852 4780 1 7 . 1 1 133 133 ASP HA H 133 4.329 4.329 4.741 -0.412 25852 4781 1 7 . 1 1 133 133 ASP CA C 133 50.942 50.942 53.857 -2.915 25852 4782 1 7 . 1 1 133 133 ASP CB C 133 37.458 37.458 42.268 -4.810 25852 4783 1 7 . 1 1 133 133 ASP H H 133 8.298 8.298 8.173 0.125 25852 4784 1 7 . 1 1 134 134 GLY N N 134 112.149 112.149 108.348 3.801 25852 4785 1 7 . 1 1 134 134 GLY CA C 134 43.122 43.122 45.212 -2.090 25852 4786 1 7 . 1 1 134 134 GLY H H 134 10.079 10.079 8.291 1.788 25852 4787 1 7 . 1 1 135 135 GLN N N 135 115.069 115.069 117.644 -2.575 25852 4788 1 7 . 1 1 135 135 GLN HA H 135 4.844 4.844 4.532 0.312 25852 4789 1 7 . 1 1 135 135 GLN CA C 135 50.454 50.454 54.568 -4.114 25852 4790 1 7 . 1 1 135 135 GLN CB C 135 30.614 30.614 31.472 -0.858 25852 4791 1 7 . 1 1 135 135 GLN H H 135 7.922 7.922 7.615 0.307 25852 4792 1 7 . 1 1 136 136 VAL N N 136 125.107 125.107 126.172 -1.065 25852 4793 1 7 . 1 1 136 136 VAL HA H 136 5.096 5.096 4.814 0.282 25852 4794 1 7 . 1 1 136 136 VAL CA C 136 58.713 58.713 61.307 -2.594 25852 4795 1 7 . 1 1 136 136 VAL CB C 136 31.416 31.416 33.889 -2.473 25852 4796 1 7 . 1 1 136 136 VAL H H 136 9.046 9.046 8.165 0.881 25852 4797 1 7 . 1 1 137 137 ASN N N 137 128.858 128.858 122.843 6.015 25852 4798 1 7 . 1 1 137 137 ASN HA H 137 5.226 5.226 5.055 0.171 25852 4799 1 7 . 1 1 137 137 ASN CA C 137 48.352 48.352 51.010 -2.658 25852 4800 1 7 . 1 1 137 137 ASN CB C 137 35.640 35.640 40.968 -5.328 25852 4801 1 7 . 1 1 137 137 ASN H H 137 9.458 9.458 8.579 0.879 25852 4802 1 7 . 1 1 138 138 TYR N N 138 118.481 118.481 120.559 -2.078 25852 4803 1 7 . 1 1 138 138 TYR HA H 138 3.603 3.603 4.578 -0.975 25852 4804 1 7 . 1 1 138 138 TYR CA C 138 59.669 59.669 63.300 -3.631 25852 4805 1 7 . 1 1 138 138 TYR CB C 138 37.572 37.572 38.332 -0.760 25852 4806 1 7 . 1 1 138 138 TYR H H 138 8.235 8.235 9.114 -0.879 25852 4807 1 7 . 1 1 139 139 GLU N N 139 118.474 118.474 118.552 -0.078 25852 4808 1 7 . 1 1 139 139 GLU HA H 139 3.868 3.868 4.152 -0.284 25852 4809 1 7 . 1 1 139 139 GLU CA C 139 57.540 57.540 59.556 -2.016 25852 4810 1 7 . 1 1 139 139 GLU CB C 139 26.274 26.274 28.911 -2.637 25852 4811 1 7 . 1 1 139 139 GLU H H 139 8.067 8.067 9.084 -1.017 25852 4812 1 7 . 1 1 140 140 GLU N N 140 119.279 119.279 119.170 0.109 25852 4813 1 7 . 1 1 140 140 GLU HA H 140 3.880 3.880 4.306 -0.426 25852 4814 1 7 . 1 1 140 140 GLU CA C 140 56.025 56.025 58.584 -2.559 25852 4815 1 7 . 1 1 140 140 GLU CB C 140 26.274 26.274 29.875 -3.600 25852 4816 1 7 . 1 1 140 140 GLU H H 140 8.742 8.742 8.475 0.267 25852 4817 1 7 . 1 1 141 141 PHE N N 141 124.141 124.141 120.057 4.084 25852 4818 1 7 . 1 1 141 141 PHE HA H 141 3.602 3.602 4.217 -0.615 25852 4819 1 7 . 1 1 141 141 PHE CA C 141 59.447 59.447 60.502 -1.055 25852 4820 1 7 . 1 1 141 141 PHE CB C 141 37.686 37.686 39.275 -1.589 25852 4821 1 7 . 1 1 141 141 PHE H H 141 8.593 8.593 8.192 0.401 25852 4822 1 7 . 1 1 142 142 VAL N N 142 118.383 118.383 117.560 0.823 25852 4823 1 7 . 1 1 142 142 VAL HA H 142 2.986 2.986 3.811 -0.825 25852 4824 1 7 . 1 1 142 142 VAL CA C 142 64.432 64.432 65.896 -1.464 25852 4825 1 7 . 1 1 142 142 VAL CB C 142 28.908 28.908 32.229 -3.321 25852 4826 1 7 . 1 1 142 142 VAL H H 142 8.776 8.776 8.314 0.462 25852 4827 1 7 . 1 1 143 143 GLN N N 143 119.891 119.891 121.381 -1.490 25852 4828 1 7 . 1 1 143 143 GLN HA H 143 3.671 3.671 3.974 -0.303 25852 4829 1 7 . 1 1 143 143 GLN CA C 143 56.514 56.514 58.657 -2.143 25852 4830 1 7 . 1 1 143 143 GLN CB C 143 25.246 25.246 27.730 -2.483 25852 4831 1 7 . 1 1 143 143 GLN H H 143 7.787 7.787 8.135 -0.348 25852 4832 1 7 . 1 1 144 144 MET N N 144 118.429 118.429 116.320 2.109 25852 4833 1 7 . 1 1 144 144 MET HA H 144 3.892 3.892 4.309 -0.417 25852 4834 1 7 . 1 1 144 144 MET CA C 144 55.683 55.683 57.725 -2.042 25852 4835 1 7 . 1 1 144 144 MET CB C 144 28.110 28.110 32.142 -4.032 25852 4836 1 7 . 1 1 144 144 MET H H 144 7.450 7.450 7.541 -0.091 25852 4837 1 7 . 1 1 145 145 MET N N 145 114.145 114.145 114.957 -0.812 25852 4838 1 7 . 1 1 145 145 MET HA H 145 3.905 3.905 4.600 -0.695 25852 4839 1 7 . 1 1 145 145 MET CA C 145 53.630 53.630 56.957 -3.327 25852 4840 1 7 . 1 1 145 145 MET CB C 145 29.592 29.592 33.000 -3.408 25852 4841 1 7 . 1 1 145 145 MET H H 145 7.724 7.724 7.760 -0.036 25852 4842 1 7 . 1 1 146 146 THR N N 146 108.482 108.482 114.495 -6.013 25852 4843 1 7 . 1 1 146 146 THR HA H 146 4.170 4.170 4.410 -0.240 25852 4844 1 7 . 1 1 146 146 THR CA C 146 59.251 59.251 62.236 -2.985 25852 4845 1 7 . 1 1 146 146 THR CB C 146 67.896 67.896 70.121 -2.225 25852 4846 1 7 . 1 1 146 146 THR H H 146 7.700 7.700 7.743 -0.043 25852 4847 1 7 . 1 1 147 147 ALA N N 147 126.469 126.469 125.684 0.785 25852 4848 1 7 . 1 1 147 147 ALA HA H 147 4.095 4.095 4.036 0.059 25852 4849 1 7 . 1 1 147 147 ALA CA C 147 50.307 50.307 54.288 -3.981 25852 4850 1 7 . 1 1 147 147 ALA CB C 147 16.336 16.336 19.091 -2.755 25852 4851 1 7 . 1 1 147 147 ALA H H 147 7.291 7.291 8.715 -1.424 25852 4852 1 8 . 1 1 3 3 GLN N N 3 118.120 118.120 121.963 -3.843 25852 4853 1 8 . 1 1 3 3 GLN HA H 3 4.688 4.688 4.398 0.290 25852 4854 1 8 . 1 1 3 3 GLN CA C 3 53.500 53.500 55.532 -2.031 25852 4855 1 8 . 1 1 3 3 GLN CB C 3 29.475 29.475 29.644 -0.169 25852 4856 1 8 . 1 1 3 3 GLN H H 3 8.134 8.134 8.353 -0.219 25852 4857 1 8 . 1 1 4 4 LEU N N 4 121.407 121.407 119.696 1.711 25852 4858 1 8 . 1 1 4 4 LEU HA H 4 4.460 4.460 4.624 -0.164 25852 4859 1 8 . 1 1 4 4 LEU CA C 4 51.650 51.650 54.436 -2.786 25852 4860 1 8 . 1 1 4 4 LEU CB C 4 40.715 40.715 41.852 -1.137 25852 4861 1 8 . 1 1 4 4 LEU H H 4 8.202 8.202 8.256 -0.054 25852 4862 1 8 . 1 1 5 5 THR N N 5 112.733 112.733 109.389 3.344 25852 4863 1 8 . 1 1 5 5 THR HA H 5 4.265 4.265 4.516 -0.251 25852 4864 1 8 . 1 1 5 5 THR CA C 5 59.433 59.433 60.584 -1.151 25852 4865 1 8 . 1 1 5 5 THR CB C 5 67.475 67.475 70.240 -2.765 25852 4866 1 8 . 1 1 5 5 THR H H 5 8.691 8.691 7.772 0.918 25852 4867 1 8 . 1 1 6 6 GLU N N 6 119.971 119.971 119.823 0.148 25852 4868 1 8 . 1 1 6 6 GLU HA H 6 3.854 3.854 3.950 -0.096 25852 4869 1 8 . 1 1 6 6 GLU CA C 6 56.756 56.756 59.648 -2.892 25852 4870 1 8 . 1 1 6 6 GLU CB C 6 26.508 26.508 29.287 -2.779 25852 4871 1 8 . 1 1 6 6 GLU H H 6 8.953 8.953 8.871 0.082 25852 4872 1 8 . 1 1 7 7 GLU N N 7 119.133 119.133 118.413 0.720 25852 4873 1 8 . 1 1 7 7 GLU HA H 7 3.898 3.898 3.934 -0.036 25852 4874 1 8 . 1 1 7 7 GLU CA C 7 56.756 56.756 59.068 -2.312 25852 4875 1 8 . 1 1 7 7 GLU CB C 7 26.279 26.279 28.840 -2.561 25852 4876 1 8 . 1 1 7 7 GLU H H 7 8.653 8.653 8.375 0.278 25852 4877 1 8 . 1 1 8 8 GLN N N 8 120.207 120.207 119.679 0.528 25852 4878 1 8 . 1 1 8 8 GLN HA H 8 3.957 3.957 4.505 -0.548 25852 4879 1 8 . 1 1 8 8 GLN CA C 8 57.099 57.099 58.464 -1.365 25852 4880 1 8 . 1 1 8 8 GLN CB C 8 26.737 26.737 28.564 -1.827 25852 4881 1 8 . 1 1 8 8 GLN H H 8 7.645 7.645 7.884 -0.239 25852 4882 1 8 . 1 1 9 9 ILE N N 9 118.171 118.171 118.506 -0.335 25852 4883 1 8 . 1 1 9 9 ILE HA H 9 3.354 3.354 3.800 -0.446 25852 4884 1 8 . 1 1 9 9 ILE CA C 9 62.714 62.714 62.344 0.370 25852 4885 1 8 . 1 1 9 9 ILE CB C 9 35.216 35.216 36.706 -1.490 25852 4886 1 8 . 1 1 9 9 ILE H H 9 8.153 8.153 7.388 0.765 25852 4887 1 8 . 1 1 10 10 ALA N N 10 120.124 120.124 119.607 0.517 25852 4888 1 8 . 1 1 10 10 ALA HA H 10 3.966 3.966 4.196 -0.230 25852 4889 1 8 . 1 1 10 10 ALA CA C 10 52.746 52.746 54.636 -1.890 25852 4890 1 8 . 1 1 10 10 ALA CB C 10 15.165 15.165 19.638 -4.473 25852 4891 1 8 . 1 1 10 10 ALA H H 10 7.835 7.835 8.503 -0.668 25852 4892 1 8 . 1 1 11 11 GLU N N 11 119.983 119.983 115.144 4.839 25852 4893 1 8 . 1 1 11 11 GLU HA H 11 3.904 3.904 4.765 -0.861 25852 4894 1 8 . 1 1 11 11 GLU CA C 11 56.560 56.560 56.514 0.046 25852 4895 1 8 . 1 1 11 11 GLU CB C 11 27.425 27.425 31.130 -3.705 25852 4896 1 8 . 1 1 11 11 GLU H H 11 7.706 7.706 7.742 -0.036 25852 4897 1 8 . 1 1 12 12 PHE N N 12 119.907 119.907 120.098 -0.191 25852 4898 1 8 . 1 1 12 12 PHE HA H 12 4.726 4.726 4.371 0.355 25852 4899 1 8 . 1 1 12 12 PHE CA C 12 55.839 55.839 61.200 -5.361 25852 4900 1 8 . 1 1 12 12 PHE CB C 12 33.955 33.955 38.462 -4.507 25852 4901 1 8 . 1 1 12 12 PHE H H 12 8.728 8.728 7.743 0.985 25852 4902 1 8 . 1 1 13 13 LYS N N 13 121.208 121.208 119.657 1.551 25852 4903 1 8 . 1 1 13 13 LYS HA H 13 3.904 3.904 4.098 -0.194 25852 4904 1 8 . 1 1 13 13 LYS CA C 13 57.290 57.290 59.433 -2.143 25852 4905 1 8 . 1 1 13 13 LYS CB C 13 30.174 30.174 32.144 -1.970 25852 4906 1 8 . 1 1 13 13 LYS H H 13 9.161 9.161 7.966 1.195 25852 4907 1 8 . 1 1 14 14 GLU N N 14 120.226 120.226 120.939 -0.713 25852 4908 1 8 . 1 1 14 14 GLU HA H 14 3.953 3.953 4.177 -0.224 25852 4909 1 8 . 1 1 14 14 GLU CA C 14 56.460 56.460 58.991 -2.531 25852 4910 1 8 . 1 1 14 14 GLU CB C 14 26.623 26.623 29.396 -2.773 25852 4911 1 8 . 1 1 14 14 GLU H H 14 7.980 7.980 8.017 -0.037 25852 4912 1 8 . 1 1 15 15 ALA N N 15 120.572 120.572 121.382 -0.810 25852 4913 1 8 . 1 1 15 15 ALA HA H 15 4.170 4.170 4.250 -0.080 25852 4914 1 8 . 1 1 15 15 ALA CA C 15 52.750 52.750 54.914 -2.164 25852 4915 1 8 . 1 1 15 15 ALA CB C 15 16.425 16.425 18.802 -2.377 25852 4916 1 8 . 1 1 15 15 ALA H H 15 7.563 7.563 8.222 -0.659 25852 4917 1 8 . 1 1 16 16 PHE N N 16 117.784 117.784 116.230 1.554 25852 4918 1 8 . 1 1 16 16 PHE HA H 16 3.904 3.904 4.643 -0.739 25852 4919 1 8 . 1 1 16 16 PHE CA C 16 59.540 59.540 60.401 -0.861 25852 4920 1 8 . 1 1 16 16 PHE CB C 16 36.820 36.820 40.572 -3.752 25852 4921 1 8 . 1 1 16 16 PHE H H 16 8.453 8.453 7.615 0.838 25852 4922 1 8 . 1 1 17 17 SER N N 17 110.774 110.774 114.998 -4.224 25852 4923 1 8 . 1 1 17 17 SER HA H 17 4.086 4.086 4.306 -0.220 25852 4924 1 8 . 1 1 17 17 SER CA C 17 58.560 58.560 60.761 -2.201 25852 4925 1 8 . 1 1 17 17 SER CB C 17 60.651 60.651 63.457 -2.806 25852 4926 1 8 . 1 1 17 17 SER H H 17 8.351 8.351 8.376 -0.025 25852 4927 1 8 . 1 1 18 18 LEU N N 18 120.947 120.947 120.427 0.520 25852 4928 1 8 . 1 1 18 18 LEU HA H 18 3.614 3.614 4.039 -0.425 25852 4929 1 8 . 1 1 18 18 LEU CA C 18 55.839 55.839 57.726 -1.887 25852 4930 1 8 . 1 1 18 18 LEU CB C 18 39.111 39.111 42.494 -3.383 25852 4931 1 8 . 1 1 18 18 LEU H H 18 7.278 7.278 8.518 -1.240 25852 4932 1 8 . 1 1 19 19 PHE N N 19 114.458 114.458 113.835 0.623 25852 4933 1 8 . 1 1 19 19 PHE HA H 19 3.904 3.904 4.568 -0.664 25852 4934 1 8 . 1 1 19 19 PHE CA C 19 56.870 56.870 57.961 -1.091 25852 4935 1 8 . 1 1 19 19 PHE CB C 19 33.841 33.841 41.705 -7.864 25852 4936 1 8 . 1 1 19 19 PHE H H 19 7.304 7.304 7.602 -0.298 25852 4937 1 8 . 1 1 20 20 ASP N N 20 122.233 122.233 122.624 -0.391 25852 4938 1 8 . 1 1 20 20 ASP HA H 20 4.874 4.874 4.584 0.290 25852 4939 1 8 . 1 1 20 20 ASP CA C 20 50.454 50.454 54.674 -4.220 25852 4940 1 8 . 1 1 20 20 ASP CB C 20 37.622 37.622 38.852 -1.230 25852 4941 1 8 . 1 1 20 20 ASP H H 20 7.233 7.233 8.119 -0.886 25852 4942 1 8 . 1 1 21 21 LYS N N 21 123.433 123.433 119.325 4.108 25852 4943 1 8 . 1 1 21 21 LYS HA H 21 3.771 3.771 4.194 -0.423 25852 4944 1 8 . 1 1 21 21 LYS CA C 21 56.025 56.025 56.869 -0.844 25852 4945 1 8 . 1 1 21 21 LYS CB C 21 29.601 29.601 32.442 -2.841 25852 4946 1 8 . 1 1 21 21 LYS H H 21 8.007 8.007 7.980 0.027 25852 4947 1 8 . 1 1 22 22 ASP N N 22 116.890 116.890 120.153 -3.263 25852 4948 1 8 . 1 1 22 22 ASP HA H 22 4.400 4.400 4.513 -0.113 25852 4949 1 8 . 1 1 22 22 ASP CA C 22 50.683 50.683 55.007 -4.324 25852 4950 1 8 . 1 1 22 22 ASP CB C 22 37.049 37.049 40.490 -3.441 25852 4951 1 8 . 1 1 22 22 ASP H H 22 8.641 8.641 8.096 0.545 25852 4952 1 8 . 1 1 23 23 GLY N N 23 110.068 110.068 107.309 2.759 25852 4953 1 8 . 1 1 23 23 GLY CA C 23 43.745 43.745 45.336 -1.591 25852 4954 1 8 . 1 1 23 23 GLY H H 23 7.938 7.938 8.090 -0.152 25852 4955 1 8 . 1 1 24 24 ASP N N 24 120.219 120.219 119.363 0.856 25852 4956 1 8 . 1 1 24 24 ASP HA H 24 4.367 4.367 4.839 -0.472 25852 4957 1 8 . 1 1 24 24 ASP CA C 24 51.040 51.040 53.141 -2.101 25852 4958 1 8 . 1 1 24 24 ASP CB C 24 37.438 37.438 41.103 -3.665 25852 4959 1 8 . 1 1 24 24 ASP H H 24 8.723 8.723 8.015 0.708 25852 4960 1 8 . 1 1 25 25 GLY N N 25 111.889 111.889 109.045 2.844 25852 4961 1 8 . 1 1 25 25 GLY CA C 25 42.680 42.680 45.697 -3.017 25852 4962 1 8 . 1 1 25 25 GLY H H 25 10.132 10.132 8.437 1.695 25852 4963 1 8 . 1 1 26 26 THR N N 26 109.844 109.844 118.180 -8.336 25852 4964 1 8 . 1 1 26 26 THR HA H 26 5.386 5.386 4.737 0.649 25852 4965 1 8 . 1 1 26 26 THR CA C 26 56.950 56.950 60.532 -3.582 25852 4966 1 8 . 1 1 26 26 THR CB C 26 70.234 70.234 72.310 -2.076 25852 4967 1 8 . 1 1 26 26 THR H H 26 7.507 7.507 7.885 -0.378 25852 4968 1 8 . 1 1 27 27 ILE N N 27 110.289 110.289 117.256 -6.967 25852 4969 1 8 . 1 1 27 27 ILE HA H 27 3.891 3.891 4.391 -0.499 25852 4970 1 8 . 1 1 27 27 ILE CA C 27 58.360 58.360 58.776 -0.416 25852 4971 1 8 . 1 1 27 27 ILE CB C 27 35.559 35.559 39.089 -3.530 25852 4972 1 8 . 1 1 27 27 ILE H H 27 8.191 8.191 8.083 0.108 25852 4973 1 8 . 1 1 28 28 THR N N 28 110.507 110.507 114.409 -3.902 25852 4974 1 8 . 1 1 28 28 THR HA H 28 4.895 4.895 4.087 0.808 25852 4975 1 8 . 1 1 28 28 THR CA C 28 57.787 57.787 62.742 -4.955 25852 4976 1 8 . 1 1 28 28 THR CB C 28 68.099 68.099 69.327 -1.228 25852 4977 1 8 . 1 1 28 28 THR H H 28 8.265 8.265 8.293 -0.028 25852 4978 1 8 . 1 1 29 29 THR N N 29 112.331 112.331 116.228 -3.897 25852 4979 1 8 . 1 1 29 29 THR HA H 29 3.941 3.941 3.854 0.087 25852 4980 1 8 . 1 1 29 29 THR CA C 29 63.840 63.840 66.079 -2.239 25852 4981 1 8 . 1 1 29 29 THR CB C 29 65.807 65.807 68.511 -2.704 25852 4982 1 8 . 1 1 29 29 THR H H 29 8.225 8.225 8.491 -0.266 25852 4983 1 8 . 1 1 30 30 LYS N N 30 118.985 118.985 120.563 -1.578 25852 4984 1 8 . 1 1 30 30 LYS HA H 30 3.965 3.965 4.028 -0.063 25852 4985 1 8 . 1 1 30 30 LYS CA C 30 55.839 55.839 58.891 -3.052 25852 4986 1 8 . 1 1 30 30 LYS CB C 30 29.372 29.372 31.876 -2.504 25852 4987 1 8 . 1 1 30 30 LYS H H 30 7.559 7.559 8.586 -1.027 25852 4988 1 8 . 1 1 31 31 GLU N N 31 117.233 117.233 118.163 -0.930 25852 4989 1 8 . 1 1 31 31 GLU HA H 31 3.965 3.965 4.071 -0.106 25852 4990 1 8 . 1 1 31 31 GLU CA C 31 57.140 57.140 57.235 -0.095 25852 4991 1 8 . 1 1 31 31 GLU CB C 31 26.393 26.393 30.180 -3.787 25852 4992 1 8 . 1 1 31 31 GLU H H 31 7.431 7.431 7.203 0.228 25852 4993 1 8 . 1 1 32 32 LEU N N 32 120.701 120.701 122.610 -1.909 25852 4994 1 8 . 1 1 32 32 LEU HA H 32 3.880 3.880 3.881 -0.001 25852 4995 1 8 . 1 1 32 32 LEU CA C 32 55.520 55.520 58.069 -2.549 25852 4996 1 8 . 1 1 32 32 LEU CB C 32 39.226 39.226 41.639 -2.413 25852 4997 1 8 . 1 1 32 32 LEU H H 32 7.270 7.270 8.124 -0.854 25852 4998 1 8 . 1 1 33 33 GLY N N 33 105.217 105.217 104.655 0.562 25852 4999 1 8 . 1 1 33 33 GLY CA C 33 45.642 45.642 47.553 -1.911 25852 5000 1 8 . 1 1 33 33 GLY H H 33 8.737 8.737 7.961 0.776 25852 5001 1 8 . 1 1 34 34 THR N N 34 118.196 118.196 118.481 -0.285 25852 5002 1 8 . 1 1 34 34 THR HA H 34 3.916 3.916 3.994 -0.078 25852 5003 1 8 . 1 1 34 34 THR CA C 34 63.859 63.859 66.011 -2.152 25852 5004 1 8 . 1 1 34 34 THR CB C 34 65.807 65.807 68.568 -2.761 25852 5005 1 8 . 1 1 34 34 THR H H 34 7.446 7.446 7.424 0.022 25852 5006 1 8 . 1 1 35 35 VAL N N 35 122.546 122.546 122.061 0.485 25852 5007 1 8 . 1 1 35 35 VAL HA H 35 3.373 3.373 3.888 -0.515 25852 5008 1 8 . 1 1 35 35 VAL CA C 35 64.088 64.088 65.668 -1.580 25852 5009 1 8 . 1 1 35 35 VAL CB C 35 28.799 28.799 31.344 -2.545 25852 5010 1 8 . 1 1 35 35 VAL H H 35 7.889 7.889 7.689 0.200 25852 5011 1 8 . 1 1 36 36 MET N N 36 118.307 118.307 118.141 0.166 25852 5012 1 8 . 1 1 36 36 MET HA H 36 3.880 3.880 4.418 -0.538 25852 5013 1 8 . 1 1 36 36 MET CA C 36 56.870 56.870 56.919 -0.049 25852 5014 1 8 . 1 1 36 36 MET CB C 36 26.279 26.279 32.190 -5.911 25852 5015 1 8 . 1 1 36 36 MET H H 36 8.386 8.386 8.099 0.287 25852 5016 1 8 . 1 1 37 37 ARG N N 37 119.233 119.233 118.669 0.564 25852 5017 1 8 . 1 1 37 37 ARG HA H 37 3.904 3.904 4.585 -0.681 25852 5018 1 8 . 1 1 37 37 ARG CA C 37 56.170 56.170 58.372 -2.202 25852 5019 1 8 . 1 1 37 37 ARG CB C 37 27.310 27.310 30.294 -2.984 25852 5020 1 8 . 1 1 37 37 ARG H H 37 8.451 8.451 8.255 0.196 25852 5021 1 8 . 1 1 38 38 SER N N 38 118.720 118.720 117.050 1.670 25852 5022 1 8 . 1 1 38 38 SER HA H 38 4.176 4.176 4.330 -0.154 25852 5023 1 8 . 1 1 38 38 SER CA C 38 59.250 59.250 60.993 -1.743 25852 5024 1 8 . 1 1 38 38 SER CB C 38 67.411 67.411 62.979 4.432 25852 5025 1 8 . 1 1 38 38 SER H H 38 8.040 8.040 8.360 -0.320 25852 5026 1 8 . 1 1 39 39 LEU N N 39 120.896 120.896 119.844 1.052 25852 5027 1 8 . 1 1 39 39 LEU HA H 39 4.460 4.460 4.496 -0.036 25852 5028 1 8 . 1 1 39 39 LEU CA C 39 51.330 51.330 54.853 -3.523 25852 5029 1 8 . 1 1 39 39 LEU CB C 39 40.257 40.257 42.451 -2.194 25852 5030 1 8 . 1 1 39 39 LEU H H 39 7.263 7.263 7.432 -0.169 25852 5031 1 8 . 1 1 40 40 GLY N N 40 106.917 106.917 106.372 0.545 25852 5032 1 8 . 1 1 40 40 GLY CA C 40 42.880 42.880 44.813 -1.933 25852 5033 1 8 . 1 1 40 40 GLY H H 40 7.841 7.841 7.960 -0.119 25852 5034 1 8 . 1 1 41 41 GLN N N 41 117.171 117.171 119.386 -2.215 25852 5035 1 8 . 1 1 41 41 GLN HA H 41 4.243 4.243 4.252 -0.009 25852 5036 1 8 . 1 1 41 41 GLN CA C 41 52.631 52.631 55.762 -3.131 25852 5037 1 8 . 1 1 41 41 GLN CB C 41 30.747 30.747 29.546 1.201 25852 5038 1 8 . 1 1 41 41 GLN H H 41 7.687 7.687 7.732 -0.045 25852 5039 1 8 . 1 1 42 42 ASN N N 42 116.423 116.423 121.997 -5.574 25852 5040 1 8 . 1 1 42 42 ASN HA H 42 5.016 5.016 5.086 -0.070 25852 5041 1 8 . 1 1 42 42 ASN CA C 42 48.640 48.640 49.902 -1.262 25852 5042 1 8 . 1 1 42 42 ASN CB C 42 36.591 36.591 39.156 -2.565 25852 5043 1 8 . 1 1 42 42 ASN H H 42 8.601 8.601 8.642 -0.041 25852 5044 1 8 . 1 1 44 44 THR N N 44 113.033 113.033 114.927 -1.894 25852 5045 1 8 . 1 1 44 44 THR HA H 44 4.279 4.279 4.521 -0.242 25852 5046 1 8 . 1 1 44 44 THR CA C 44 57.640 57.640 60.789 -3.149 25852 5047 1 8 . 1 1 44 44 THR CB C 44 68.328 68.328 70.333 -2.005 25852 5048 1 8 . 1 1 44 44 THR H H 44 8.711 8.711 8.395 0.316 25852 5049 1 8 . 1 1 45 45 GLU N N 45 120.233 120.233 123.082 -2.849 25852 5050 1 8 . 1 1 45 45 GLU HA H 45 3.892 3.892 4.203 -0.311 25852 5051 1 8 . 1 1 45 45 GLU CA C 45 56.756 56.756 59.144 -2.388 25852 5052 1 8 . 1 1 45 45 GLU CB C 45 26.393 26.393 29.508 -3.115 25852 5053 1 8 . 1 1 45 45 GLU H H 45 8.781 8.781 8.891 -0.110 25852 5054 1 8 . 1 1 46 46 ALA N N 46 120.833 120.833 122.409 -1.576 25852 5055 1 8 . 1 1 46 46 ALA HA H 46 3.868 3.868 4.209 -0.341 25852 5056 1 8 . 1 1 46 46 ALA CA C 46 52.310 52.310 54.711 -2.401 25852 5057 1 8 . 1 1 46 46 ALA CB C 46 15.394 15.394 18.429 -3.035 25852 5058 1 8 . 1 1 46 46 ALA H H 46 8.251 8.251 8.147 0.104 25852 5059 1 8 . 1 1 47 47 GLU N N 47 118.672 118.672 118.039 0.633 25852 5060 1 8 . 1 1 47 47 GLU HA H 47 3.965 3.965 4.104 -0.139 25852 5061 1 8 . 1 1 47 47 GLU CA C 47 56.641 56.641 58.760 -2.119 25852 5062 1 8 . 1 1 47 47 GLU CB C 47 26.623 26.623 29.480 -2.857 25852 5063 1 8 . 1 1 47 47 GLU H H 47 7.668 7.668 8.530 -0.862 25852 5064 1 8 . 1 1 48 48 LEU N N 48 119.645 119.645 119.283 0.362 25852 5065 1 8 . 1 1 48 48 LEU HA H 48 3.892 3.892 4.161 -0.269 25852 5066 1 8 . 1 1 48 48 LEU CA C 48 55.610 55.610 57.704 -2.094 25852 5067 1 8 . 1 1 48 48 LEU CB C 48 39.340 39.340 41.499 -2.159 25852 5068 1 8 . 1 1 48 48 LEU H H 48 8.244 8.244 7.669 0.575 25852 5069 1 8 . 1 1 49 49 GLN N N 49 117.446 117.446 116.890 0.556 25852 5070 1 8 . 1 1 49 49 GLN HA H 49 3.892 3.892 4.277 -0.385 25852 5071 1 8 . 1 1 49 49 GLN CA C 49 56.756 56.756 57.787 -1.031 25852 5072 1 8 . 1 1 49 49 GLN CB C 49 26.508 26.508 29.005 -2.497 25852 5073 1 8 . 1 1 49 49 GLN H H 49 7.980 7.980 7.758 0.222 25852 5074 1 8 . 1 1 50 50 ASP N N 50 118.733 118.733 120.575 -1.842 25852 5075 1 8 . 1 1 50 50 ASP HA H 50 4.267 4.267 4.577 -0.310 25852 5076 1 8 . 1 1 50 50 ASP CA C 50 54.700 54.700 56.669 -1.969 25852 5077 1 8 . 1 1 50 50 ASP CB C 50 37.622 37.622 41.553 -3.931 25852 5078 1 8 . 1 1 50 50 ASP H H 50 7.761 7.761 7.671 0.090 25852 5079 1 8 . 1 1 51 51 MET N N 51 118.996 118.996 118.570 0.426 25852 5080 1 8 . 1 1 51 51 MET HA H 51 3.892 3.892 4.475 -0.583 25852 5081 1 8 . 1 1 51 51 MET CA C 51 56.560 56.560 56.764 -0.204 25852 5082 1 8 . 1 1 51 51 MET CB C 51 29.601 29.601 32.702 -3.101 25852 5083 1 8 . 1 1 51 51 MET H H 51 7.900 7.900 8.395 -0.495 25852 5084 1 8 . 1 1 52 52 ILE N N 52 118.833 118.833 120.143 -1.310 25852 5085 1 8 . 1 1 52 52 ILE HA H 52 3.348 3.348 3.762 -0.414 25852 5086 1 8 . 1 1 52 52 ILE CA C 52 62.484 62.484 64.106 -1.623 25852 5087 1 8 . 1 1 52 52 ILE CB C 52 35.330 35.330 37.527 -2.197 25852 5088 1 8 . 1 1 52 52 ILE H H 52 8.261 8.261 7.608 0.653 25852 5089 1 8 . 1 1 53 53 ASN N N 53 117.296 117.296 116.500 0.796 25852 5090 1 8 . 1 1 53 53 ASN HA H 53 4.243 4.243 4.470 -0.227 25852 5091 1 8 . 1 1 53 53 ASN CA C 53 53.090 53.090 55.884 -2.794 25852 5092 1 8 . 1 1 53 53 ASN CB C 53 35.330 35.330 38.732 -3.402 25852 5093 1 8 . 1 1 53 53 ASN H H 53 8.186 8.186 7.598 0.588 25852 5094 1 8 . 1 1 54 54 GLU N N 54 117.133 117.133 118.403 -1.270 25852 5095 1 8 . 1 1 54 54 GLU HA H 54 3.965 3.965 4.170 -0.205 25852 5096 1 8 . 1 1 54 54 GLU CA C 54 56.412 56.412 58.488 -2.076 25852 5097 1 8 . 1 1 54 54 GLU CB C 54 26.508 26.508 30.276 -3.768 25852 5098 1 8 . 1 1 54 54 GLU H H 54 7.501 7.501 7.640 -0.139 25852 5099 1 8 . 1 1 55 55 VAL N N 55 112.928 112.928 118.481 -5.553 25852 5100 1 8 . 1 1 55 55 VAL HA H 55 4.194 4.194 3.982 0.212 25852 5101 1 8 . 1 1 55 55 VAL CA C 55 59.505 59.505 65.719 -6.214 25852 5102 1 8 . 1 1 55 55 VAL CB C 55 30.174 30.174 32.346 -2.172 25852 5103 1 8 . 1 1 55 55 VAL H H 55 7.575 7.575 8.383 -0.808 25852 5104 1 8 . 1 1 56 56 ASP N N 56 121.771 121.771 119.907 1.864 25852 5105 1 8 . 1 1 56 56 ASP HA H 56 4.388 4.388 4.493 -0.105 25852 5106 1 8 . 1 1 56 56 ASP CA C 56 50.990 50.990 54.224 -3.234 25852 5107 1 8 . 1 1 56 56 ASP CB C 56 36.820 36.820 39.209 -2.389 25852 5108 1 8 . 1 1 56 56 ASP H H 56 8.401 8.401 7.922 0.479 25852 5109 1 8 . 1 1 57 57 ALA N N 57 124.771 124.771 121.340 3.431 25852 5110 1 8 . 1 1 57 57 ALA HA H 57 4.001 4.001 4.281 -0.280 25852 5111 1 8 . 1 1 57 57 ALA CA C 57 52.402 52.402 53.374 -0.972 25852 5112 1 8 . 1 1 57 57 ALA CB C 57 15.280 15.280 19.291 -4.011 25852 5113 1 8 . 1 1 57 57 ALA H H 57 8.097 8.097 8.152 -0.055 25852 5114 1 8 . 1 1 58 58 ASP N N 58 114.518 114.518 119.340 -4.822 25852 5115 1 8 . 1 1 58 58 ASP HA H 58 4.400 4.400 4.638 -0.238 25852 5116 1 8 . 1 1 58 58 ASP CA C 58 50.798 50.798 54.245 -3.447 25852 5117 1 8 . 1 1 58 58 ASP CB C 58 36.934 36.934 41.718 -4.785 25852 5118 1 8 . 1 1 58 58 ASP H H 58 8.376 8.376 7.888 0.488 25852 5119 1 8 . 1 1 59 59 GLY N N 59 108.798 108.798 108.008 0.790 25852 5120 1 8 . 1 1 59 59 GLY CA C 59 44.490 44.490 45.400 -0.910 25852 5121 1 8 . 1 1 59 59 GLY H H 59 7.827 7.827 8.508 -0.681 25852 5122 1 8 . 1 1 60 60 ASN N N 60 119.696 119.696 118.198 1.498 25852 5123 1 8 . 1 1 60 60 ASN HA H 60 4.688 4.688 4.686 0.002 25852 5124 1 8 . 1 1 60 60 ASN CA C 60 51.943 51.943 53.127 -1.185 25852 5125 1 8 . 1 1 60 60 ASN CB C 60 38.424 38.424 39.670 -1.246 25852 5126 1 8 . 1 1 60 60 ASN H H 60 9.253 9.253 8.210 1.043 25852 5127 1 8 . 1 1 61 61 GLY N N 61 110.108 110.108 110.266 -0.158 25852 5128 1 8 . 1 1 61 61 GLY CA C 61 42.870 42.870 46.066 -3.196 25852 5129 1 8 . 1 1 61 61 GLY H H 61 10.004 10.004 8.179 1.825 25852 5130 1 8 . 1 1 62 62 THR N N 62 110.533 110.533 113.311 -2.778 25852 5131 1 8 . 1 1 62 62 THR HA H 62 4.629 4.629 4.699 -0.070 25852 5132 1 8 . 1 1 62 62 THR CA C 62 59.162 59.162 60.782 -1.620 25852 5133 1 8 . 1 1 62 62 THR CB C 62 67.526 67.526 72.485 -4.959 25852 5134 1 8 . 1 1 62 62 THR H H 62 7.481 7.481 7.425 0.056 25852 5135 1 8 . 1 1 63 63 ILE N N 63 118.533 118.533 121.323 -2.790 25852 5136 1 8 . 1 1 63 63 ILE HA H 63 3.783 3.783 4.241 -0.458 25852 5137 1 8 . 1 1 63 63 ILE CA C 63 60.537 60.537 58.905 1.632 25852 5138 1 8 . 1 1 63 63 ILE CB C 63 36.018 36.018 39.705 -3.687 25852 5139 1 8 . 1 1 63 63 ILE H H 63 8.820 8.820 7.928 0.892 25852 5140 1 8 . 1 1 64 64 ASP N N 64 122.928 122.928 120.432 2.496 25852 5141 1 8 . 1 1 64 64 ASP HA H 64 4.327 4.327 5.290 -0.963 25852 5142 1 8 . 1 1 64 64 ASP CA C 64 51.027 51.027 53.167 -2.140 25852 5143 1 8 . 1 1 64 64 ASP CB C 64 37.278 37.278 44.196 -6.918 25852 5144 1 8 . 1 1 64 64 ASP H H 64 8.380 8.380 8.203 0.177 25852 5145 1 8 . 1 1 65 65 PHE N N 65 118.559 118.559 119.793 -1.234 25852 5146 1 8 . 1 1 65 65 PHE HA H 65 3.880 3.880 5.264 -1.384 25852 5147 1 8 . 1 1 65 65 PHE CA C 65 56.870 56.870 60.512 -3.642 25852 5148 1 8 . 1 1 65 65 PHE CB C 65 33.497 33.497 36.213 -2.716 25852 5149 1 8 . 1 1 65 65 PHE H H 65 8.559 8.559 8.351 0.208 25852 5150 1 8 . 1 1 67 67 GLU N N 67 117.546 117.546 114.793 2.753 25852 5151 1 8 . 1 1 67 67 GLU HA H 67 3.904 3.904 4.277 -0.373 25852 5152 1 8 . 1 1 67 67 GLU CA C 67 56.870 56.870 57.488 -0.618 25852 5153 1 8 . 1 1 67 67 GLU CB C 67 26.623 26.623 30.833 -4.210 25852 5154 1 8 . 1 1 67 67 GLU H H 67 7.995 7.995 8.099 -0.104 25852 5155 1 8 . 1 1 68 68 PHE N N 68 122.032 122.032 119.593 2.439 25852 5156 1 8 . 1 1 68 68 PHE HA H 68 3.904 3.904 4.436 -0.532 25852 5157 1 8 . 1 1 68 68 PHE CA C 68 59.047 59.047 59.955 -0.908 25852 5158 1 8 . 1 1 68 68 PHE CB C 68 36.934 36.934 39.413 -2.479 25852 5159 1 8 . 1 1 68 68 PHE H H 68 8.377 8.377 7.711 0.666 25852 5160 1 8 . 1 1 69 69 LEU N N 69 118.488 118.488 119.754 -1.266 25852 5161 1 8 . 1 1 69 69 LEU HA H 69 3.179 3.179 3.257 -0.078 25852 5162 1 8 . 1 1 69 69 LEU CA C 69 55.158 55.158 56.568 -1.410 25852 5163 1 8 . 1 1 69 69 LEU CB C 69 38.195 38.195 40.871 -2.676 25852 5164 1 8 . 1 1 69 69 LEU H H 69 8.393 8.393 7.088 1.305 25852 5165 1 8 . 1 1 70 70 THR N N 70 115.208 115.208 115.169 0.039 25852 5166 1 8 . 1 1 70 70 THR HA H 70 3.638 3.638 3.770 -0.132 25852 5167 1 8 . 1 1 70 70 THR CA C 70 63.630 63.630 66.016 -2.386 25852 5168 1 8 . 1 1 70 70 THR CB C 70 65.578 65.578 68.387 -2.809 25852 5169 1 8 . 1 1 70 70 THR H H 70 7.658 7.658 8.047 -0.389 25852 5170 1 8 . 1 1 71 71 MET N N 71 121.221 121.221 118.275 2.946 25852 5171 1 8 . 1 1 71 71 MET HA H 71 3.892 3.892 4.232 -0.340 25852 5172 1 8 . 1 1 71 71 MET CA C 71 56.303 56.303 57.374 -1.071 25852 5173 1 8 . 1 1 71 71 MET CB C 71 29.831 29.831 31.614 -1.783 25852 5174 1 8 . 1 1 71 71 MET H H 71 7.653 7.653 7.579 0.074 25852 5175 1 8 . 1 1 72 72 MET N N 72 117.459 117.459 117.040 0.419 25852 5176 1 8 . 1 1 72 72 MET HA H 72 3.892 3.892 4.322 -0.430 25852 5177 1 8 . 1 1 72 72 MET CA C 72 53.777 53.777 56.605 -2.828 25852 5178 1 8 . 1 1 72 72 MET CB C 72 29.029 29.029 31.538 -2.509 25852 5179 1 8 . 1 1 72 72 MET H H 72 7.956 7.956 7.425 0.531 25852 5180 1 8 . 1 1 73 73 ALA N N 73 120.856 120.856 121.873 -1.017 25852 5181 1 8 . 1 1 73 73 ALA HA H 73 3.868 3.868 4.127 -0.259 25852 5182 1 8 . 1 1 73 73 ALA CA C 73 52.402 52.402 54.576 -2.174 25852 5183 1 8 . 1 1 73 73 ALA CB C 73 15.280 15.280 18.965 -3.684 25852 5184 1 8 . 1 1 73 73 ALA H H 73 8.230 8.230 7.890 0.340 25852 5185 1 8 . 1 1 74 74 ARG N N 74 116.530 116.530 117.029 -0.499 25852 5186 1 8 . 1 1 74 74 ARG HA H 74 3.892 3.892 4.152 -0.260 25852 5187 1 8 . 1 1 74 74 ARG CA C 74 56.297 56.297 58.686 -2.389 25852 5188 1 8 . 1 1 74 74 ARG CB C 74 27.997 27.997 29.825 -1.828 25852 5189 1 8 . 1 1 74 74 ARG H H 74 7.409 7.409 8.384 -0.975 25852 5190 1 8 . 1 1 75 75 LYS N N 75 118.008 118.008 120.171 -2.163 25852 5191 1 8 . 1 1 75 75 LYS HA H 75 3.965 3.965 4.164 -0.199 25852 5192 1 8 . 1 1 75 75 LYS CA C 75 55.495 55.495 58.789 -3.294 25852 5193 1 8 . 1 1 75 75 LYS CB C 75 26.279 26.279 32.473 -6.194 25852 5194 1 8 . 1 1 75 75 LYS H H 75 7.657 7.657 7.684 -0.027 25852 5195 1 8 . 1 1 76 76 MET N N 76 117.646 117.646 113.046 4.600 25852 5196 1 8 . 1 1 76 76 MET HA H 76 4.146 4.146 4.697 -0.551 25852 5197 1 8 . 1 1 76 76 MET CA C 76 53.947 53.947 57.721 -3.774 25852 5198 1 8 . 1 1 76 76 MET CB C 76 29.487 29.487 34.565 -5.078 25852 5199 1 8 . 1 1 76 76 MET H H 76 7.883 7.883 7.472 0.411 25852 5200 1 8 . 1 1 77 77 LYS N N 77 120.334 120.334 118.593 1.741 25852 5201 1 8 . 1 1 77 77 LYS HA H 77 3.941 3.941 4.155 -0.214 25852 5202 1 8 . 1 1 77 77 LYS CA C 77 56.526 56.526 58.447 -1.921 25852 5203 1 8 . 1 1 77 77 LYS CB C 77 27.425 27.425 32.668 -5.243 25852 5204 1 8 . 1 1 77 77 LYS H H 77 7.658 7.658 8.188 -0.530 25852 5205 1 8 . 1 1 78 78 ASP N N 78 121.733 121.733 117.895 3.838 25852 5206 1 8 . 1 1 78 78 ASP HA H 78 4.194 4.194 4.724 -0.530 25852 5207 1 8 . 1 1 78 78 ASP CA C 78 52.516 52.516 55.776 -3.260 25852 5208 1 8 . 1 1 78 78 ASP CB C 78 40.028 40.028 42.089 -2.061 25852 5209 1 8 . 1 1 78 78 ASP H H 78 8.212 8.212 7.647 0.565 25852 5210 1 8 . 1 1 79 79 THR N N 79 114.651 114.651 116.523 -1.872 25852 5211 1 8 . 1 1 79 79 THR HA H 79 4.170 4.170 4.272 -0.102 25852 5212 1 8 . 1 1 79 79 THR CA C 79 59.391 59.391 61.712 -2.321 25852 5213 1 8 . 1 1 79 79 THR CB C 79 67.067 67.067 67.503 -0.436 25852 5214 1 8 . 1 1 79 79 THR H H 79 8.048 8.048 8.145 -0.097 25852 5215 1 8 . 1 1 80 80 ASP N N 80 122.484 122.484 120.544 1.940 25852 5216 1 8 . 1 1 80 80 ASP HA H 80 4.363 4.363 4.392 -0.029 25852 5217 1 8 . 1 1 80 80 ASP CA C 80 50.850 50.850 55.055 -4.205 25852 5218 1 8 . 1 1 80 80 ASP CB C 80 36.705 36.705 41.385 -4.680 25852 5219 1 8 . 1 1 80 80 ASP H H 80 8.432 8.432 7.867 0.565 25852 5220 1 8 . 1 1 81 81 SER N N 81 117.135 117.135 117.910 -0.775 25852 5221 1 8 . 1 1 81 81 SER HA H 81 4.267 4.267 4.587 -0.320 25852 5222 1 8 . 1 1 81 81 SER CA C 81 56.870 56.870 59.976 -3.106 25852 5223 1 8 . 1 1 81 81 SER CB C 81 60.884 60.884 63.589 -2.705 25852 5224 1 8 . 1 1 81 81 SER H H 81 8.403 8.403 8.692 -0.289 25852 5225 1 8 . 1 1 82 82 GLU N N 82 121.723 121.723 120.630 1.093 25852 5226 1 8 . 1 1 82 82 GLU HA H 82 3.883 3.883 4.377 -0.494 25852 5227 1 8 . 1 1 82 82 GLU CA C 82 56.707 56.707 58.566 -1.859 25852 5228 1 8 . 1 1 82 82 GLU CB C 82 29.831 29.831 29.432 0.399 25852 5229 1 8 . 1 1 82 82 GLU H H 82 8.443 8.443 8.196 0.247 25852 5230 1 8 . 1 1 83 83 GLU N N 83 119.259 119.259 118.100 1.159 25852 5231 1 8 . 1 1 83 83 GLU HA H 83 3.883 3.883 4.139 -0.256 25852 5232 1 8 . 1 1 83 83 GLU CA C 83 56.606 56.606 58.793 -2.187 25852 5233 1 8 . 1 1 83 83 GLU CB C 83 29.364 29.364 29.323 0.041 25852 5234 1 8 . 1 1 83 83 GLU H H 83 8.118 8.118 8.822 -0.704 25852 5235 1 8 . 1 1 84 84 GLU N N 84 118.060 118.060 117.474 0.586 25852 5236 1 8 . 1 1 84 84 GLU HA H 84 3.871 3.871 4.381 -0.510 25852 5237 1 8 . 1 1 84 84 GLU CA C 84 56.606 56.606 58.528 -1.922 25852 5238 1 8 . 1 1 84 84 GLU CB C 84 25.817 25.817 29.195 -3.378 25852 5239 1 8 . 1 1 84 84 GLU H H 84 8.212 8.212 7.840 0.372 25852 5240 1 8 . 1 1 85 85 ILE N N 85 120.736 120.736 118.353 2.383 25852 5241 1 8 . 1 1 85 85 ILE HA H 85 3.678 3.678 4.204 -0.526 25852 5242 1 8 . 1 1 85 85 ILE CA C 85 62.484 62.484 63.639 -1.155 25852 5243 1 8 . 1 1 85 85 ILE CB C 85 35.445 35.445 38.627 -3.182 25852 5244 1 8 . 1 1 85 85 ILE H H 85 7.964 7.964 7.260 0.704 25852 5245 1 8 . 1 1 86 86 ARG N N 86 121.452 121.452 119.674 1.778 25852 5246 1 8 . 1 1 86 86 ARG HA H 86 3.989 3.989 4.286 -0.297 25852 5247 1 8 . 1 1 86 86 ARG CA C 86 56.985 56.985 59.259 -2.274 25852 5248 1 8 . 1 1 86 86 ARG CB C 86 26.856 26.856 29.409 -2.553 25852 5249 1 8 . 1 1 86 86 ARG H H 86 8.351 8.351 8.348 0.003 25852 5250 1 8 . 1 1 87 87 GLU N N 87 118.288 118.288 119.058 -0.770 25852 5251 1 8 . 1 1 87 87 GLU HA H 87 3.861 3.861 4.313 -0.452 25852 5252 1 8 . 1 1 87 87 GLU CA C 87 56.606 56.606 58.547 -1.941 25852 5253 1 8 . 1 1 87 87 GLU CB C 87 25.817 25.817 29.528 -3.711 25852 5254 1 8 . 1 1 87 87 GLU H H 87 8.238 8.238 7.956 0.282 25852 5255 1 8 . 1 1 88 88 ALA N N 88 120.408 120.408 121.709 -1.301 25852 5256 1 8 . 1 1 88 88 ALA HA H 88 4.013 4.013 4.288 -0.275 25852 5257 1 8 . 1 1 88 88 ALA CA C 88 52.263 52.263 54.598 -2.335 25852 5258 1 8 . 1 1 88 88 ALA CB C 88 15.080 15.080 18.450 -3.370 25852 5259 1 8 . 1 1 88 88 ALA H H 88 7.960 7.960 8.366 -0.406 25852 5260 1 8 . 1 1 89 89 PHE N N 89 118.123 118.123 116.741 1.382 25852 5261 1 8 . 1 1 89 89 PHE HA H 89 3.058 3.058 4.139 -1.081 25852 5262 1 8 . 1 1 89 89 PHE CA C 89 59.703 59.703 60.472 -0.769 25852 5263 1 8 . 1 1 89 89 PHE CB C 89 36.774 36.774 38.685 -1.911 25852 5264 1 8 . 1 1 89 89 PHE H H 89 8.498 8.498 7.575 0.923 25852 5265 1 8 . 1 1 90 90 ARG N N 90 116.002 116.002 118.930 -2.928 25852 5266 1 8 . 1 1 90 90 ARG HA H 90 3.892 3.892 4.210 -0.318 25852 5267 1 8 . 1 1 90 90 ARG CA C 90 56.168 56.168 57.887 -1.719 25852 5268 1 8 . 1 1 90 90 ARG CB C 90 27.654 27.654 30.177 -2.523 25852 5269 1 8 . 1 1 90 90 ARG H H 90 7.860 7.860 7.687 0.173 25852 5270 1 8 . 1 1 91 91 VAL N N 91 118.008 118.008 117.809 0.199 25852 5271 1 8 . 1 1 91 91 VAL HA H 91 3.243 3.243 3.893 -0.650 25852 5272 1 8 . 1 1 91 91 VAL CA C 91 63.357 63.357 65.760 -2.403 25852 5273 1 8 . 1 1 91 91 VAL CB C 91 28.444 28.444 32.496 -4.052 25852 5274 1 8 . 1 1 91 91 VAL H H 91 7.300 7.300 7.507 -0.207 25852 5275 1 8 . 1 1 92 92 PHE N N 92 113.024 113.024 115.581 -2.557 25852 5276 1 8 . 1 1 92 92 PHE HA H 92 3.967 3.967 4.416 -0.449 25852 5277 1 8 . 1 1 92 92 PHE CA C 92 57.558 57.558 59.825 -2.267 25852 5278 1 8 . 1 1 92 92 PHE CB C 92 38.838 38.838 40.961 -2.123 25852 5279 1 8 . 1 1 92 92 PHE H H 92 6.805 6.805 7.741 -0.936 25852 5280 1 8 . 1 1 93 93 ASP N N 93 116.393 116.393 119.890 -3.497 25852 5281 1 8 . 1 1 93 93 ASP HA H 93 4.496 4.496 4.638 -0.142 25852 5282 1 8 . 1 1 93 93 ASP CA C 93 49.525 49.525 55.220 -5.695 25852 5283 1 8 . 1 1 93 93 ASP CB C 93 35.788 35.788 40.207 -4.419 25852 5284 1 8 . 1 1 93 93 ASP H H 93 8.018 8.018 8.055 -0.037 25852 5285 1 8 . 1 1 94 94 LYS N N 94 125.158 125.158 125.329 -0.171 25852 5286 1 8 . 1 1 94 94 LYS HA H 94 3.892 3.892 4.222 -0.330 25852 5287 1 8 . 1 1 94 94 LYS CA C 94 56.183 56.183 58.222 -2.039 25852 5288 1 8 . 1 1 94 94 LYS CB C 94 29.945 29.945 32.947 -3.002 25852 5289 1 8 . 1 1 94 94 LYS H H 94 7.721 7.721 8.833 -1.112 25852 5290 1 8 . 1 1 95 95 ASP N N 95 113.893 113.893 118.561 -4.668 25852 5291 1 8 . 1 1 95 95 ASP HA H 95 4.415 4.415 4.496 -0.081 25852 5292 1 8 . 1 1 95 95 ASP CA C 95 50.683 50.683 54.700 -4.017 25852 5293 1 8 . 1 1 95 95 ASP CB C 95 36.774 36.774 40.914 -4.140 25852 5294 1 8 . 1 1 95 95 ASP H H 95 8.156 8.156 8.196 -0.040 25852 5295 1 8 . 1 1 96 96 GLY N N 96 108.799 108.799 107.208 1.591 25852 5296 1 8 . 1 1 96 96 GLY CA C 96 44.344 44.344 46.173 -1.829 25852 5297 1 8 . 1 1 96 96 GLY H H 96 7.717 7.717 8.494 -0.777 25852 5298 1 8 . 1 1 97 97 ASN N N 97 119.381 119.381 118.413 0.968 25852 5299 1 8 . 1 1 97 97 ASN HA H 97 4.500 4.500 4.764 -0.264 25852 5300 1 8 . 1 1 97 97 ASN CA C 97 49.916 49.916 52.953 -3.037 25852 5301 1 8 . 1 1 97 97 ASN CB C 97 35.183 35.183 39.278 -4.095 25852 5302 1 8 . 1 1 97 97 ASN H H 97 8.312 8.312 8.218 0.094 25852 5303 1 8 . 1 1 98 98 GLY N N 98 112.330 112.330 107.443 4.887 25852 5304 1 8 . 1 1 98 98 GLY CA C 98 42.434 42.434 45.402 -2.968 25852 5305 1 8 . 1 1 98 98 GLY H H 98 10.555 10.555 7.869 2.687 25852 5306 1 8 . 1 1 99 99 TYR N N 99 116.075 116.075 119.669 -3.594 25852 5307 1 8 . 1 1 99 99 TYR HA H 99 4.871 4.871 5.172 -0.301 25852 5308 1 8 . 1 1 99 99 TYR CA C 99 53.582 53.582 55.625 -2.043 25852 5309 1 8 . 1 1 99 99 TYR CB C 99 39.981 39.981 39.167 0.814 25852 5310 1 8 . 1 1 99 99 TYR H H 99 7.650 7.650 7.444 0.206 25852 5311 1 8 . 1 1 100 100 ILE N N 100 126.834 126.834 126.144 0.690 25852 5312 1 8 . 1 1 100 100 ILE HA H 100 4.493 4.493 4.417 0.076 25852 5313 1 8 . 1 1 100 100 ILE CA C 100 58.616 58.616 61.361 -2.745 25852 5314 1 8 . 1 1 100 100 ILE CB C 100 35.903 35.903 36.600 -0.697 25852 5315 1 8 . 1 1 100 100 ILE H H 100 10.037 10.037 8.963 1.074 25852 5316 1 8 . 1 1 101 101 SER N N 101 123.486 123.486 122.729 0.757 25852 5317 1 8 . 1 1 101 101 SER HA H 101 4.738 4.738 4.324 0.414 25852 5318 1 8 . 1 1 101 101 SER CA C 101 52.897 52.897 58.666 -5.769 25852 5319 1 8 . 1 1 101 101 SER CB C 101 64.134 64.134 64.614 -0.479 25852 5320 1 8 . 1 1 101 101 SER H H 101 8.904 8.904 8.993 -0.089 25852 5321 1 8 . 1 1 102 102 ALA N N 102 122.796 122.796 124.583 -1.787 25852 5322 1 8 . 1 1 102 102 ALA HA H 102 3.747 3.747 4.082 -0.335 25852 5323 1 8 . 1 1 102 102 ALA CA C 102 53.093 53.093 54.843 -1.750 25852 5324 1 8 . 1 1 102 102 ALA CB C 102 15.114 15.114 18.499 -3.385 25852 5325 1 8 . 1 1 102 102 ALA H H 102 9.246 9.246 8.351 0.895 25852 5326 1 8 . 1 1 103 103 ALA N N 103 118.362 118.362 118.927 -0.565 25852 5327 1 8 . 1 1 103 103 ALA HA H 103 3.861 3.861 4.164 -0.303 25852 5328 1 8 . 1 1 103 103 ALA CA C 103 52.409 52.409 53.636 -1.227 25852 5329 1 8 . 1 1 103 103 ALA CB C 103 15.456 15.456 18.797 -3.341 25852 5330 1 8 . 1 1 103 103 ALA H H 103 8.214 8.214 8.320 -0.106 25852 5331 1 8 . 1 1 104 104 GLU N N 104 120.187 120.187 119.889 0.298 25852 5332 1 8 . 1 1 104 104 GLU HA H 104 3.904 3.904 4.157 -0.253 25852 5333 1 8 . 1 1 104 104 GLU CA C 104 56.563 56.563 59.096 -2.533 25852 5334 1 8 . 1 1 104 104 GLU CB C 104 26.400 26.400 29.925 -3.526 25852 5335 1 8 . 1 1 104 104 GLU H H 104 7.864 7.864 7.820 0.044 25852 5336 1 8 . 1 1 105 105 LEU N N 105 121.050 121.050 119.332 1.718 25852 5337 1 8 . 1 1 105 105 LEU HA H 105 3.892 3.892 4.343 -0.451 25852 5338 1 8 . 1 1 105 105 LEU CA C 105 55.732 55.732 58.302 -2.570 25852 5339 1 8 . 1 1 105 105 LEU CB C 105 39.340 39.340 41.552 -2.212 25852 5340 1 8 . 1 1 105 105 LEU H H 105 8.341 8.341 8.259 0.082 25852 5341 1 8 . 1 1 106 106 ARG N N 106 118.494 118.494 120.050 -1.556 25852 5342 1 8 . 1 1 106 106 ARG HA H 106 3.904 3.904 4.110 -0.206 25852 5343 1 8 . 1 1 106 106 ARG CA C 106 55.724 55.724 58.849 -3.125 25852 5344 1 8 . 1 1 106 106 ARG CB C 106 29.945 29.945 29.286 0.659 25852 5345 1 8 . 1 1 106 106 ARG H H 106 8.852 8.852 7.718 1.134 25852 5346 1 8 . 1 1 107 107 HIS N N 107 118.921 118.921 119.723 -0.802 25852 5347 1 8 . 1 1 107 107 HIS HA H 107 3.876 3.876 4.465 -0.589 25852 5348 1 8 . 1 1 107 107 HIS CA C 107 56.807 56.807 59.181 -2.374 25852 5349 1 8 . 1 1 107 107 HIS CB C 107 27.198 27.198 29.531 -2.333 25852 5350 1 8 . 1 1 107 107 HIS H H 107 8.045 8.045 8.523 -0.478 25852 5351 1 8 . 1 1 108 108 VAL N N 108 118.991 118.991 120.581 -1.590 25852 5352 1 8 . 1 1 108 108 VAL HA H 108 3.385 3.385 3.456 -0.071 25852 5353 1 8 . 1 1 108 108 VAL CA C 108 64.285 64.285 66.646 -2.361 25852 5354 1 8 . 1 1 108 108 VAL CB C 108 28.908 28.908 31.008 -2.100 25852 5355 1 8 . 1 1 108 108 VAL H H 108 7.766 7.766 8.520 -0.754 25852 5356 1 8 . 1 1 109 109 MET N N 109 115.789 115.789 119.056 -3.267 25852 5357 1 8 . 1 1 109 109 MET HA H 109 4.139 4.139 3.976 0.163 25852 5358 1 8 . 1 1 109 109 MET CA C 109 54.461 54.461 59.872 -5.411 25852 5359 1 8 . 1 1 109 109 MET CB C 109 29.706 29.706 32.412 -2.706 25852 5360 1 8 . 1 1 109 109 MET H H 109 8.333 8.333 8.318 0.015 25852 5361 1 8 . 1 1 110 110 THR N N 110 116.700 116.700 113.282 3.418 25852 5362 1 8 . 1 1 110 110 THR HA H 110 3.935 3.935 4.137 -0.202 25852 5363 1 8 . 1 1 110 110 THR CA C 110 63.845 63.845 64.686 -0.841 25852 5364 1 8 . 1 1 110 110 THR CB C 110 66.072 66.072 68.431 -2.359 25852 5365 1 8 . 1 1 110 110 THR H H 110 8.603 8.603 8.338 0.265 25852 5366 1 8 . 1 1 111 111 ASN N N 111 123.354 123.354 119.195 4.159 25852 5367 1 8 . 1 1 111 111 ASN HA H 111 4.242 4.242 4.516 -0.274 25852 5368 1 8 . 1 1 111 111 ASN CA C 111 53.093 53.093 55.375 -2.282 25852 5369 1 8 . 1 1 111 111 ASN CB C 111 35.292 35.292 38.656 -3.364 25852 5370 1 8 . 1 1 111 111 ASN H H 111 7.991 7.991 7.282 0.709 25852 5371 1 8 . 1 1 112 112 LEU N N 112 118.291 118.291 117.807 0.484 25852 5372 1 8 . 1 1 112 112 LEU HA H 112 4.182 4.182 4.199 -0.017 25852 5373 1 8 . 1 1 112 112 LEU CA C 112 52.653 52.653 56.102 -3.449 25852 5374 1 8 . 1 1 112 112 LEU CB C 112 39.738 39.738 42.693 -2.955 25852 5375 1 8 . 1 1 112 112 LEU H H 112 7.754 7.754 8.037 -0.283 25852 5376 1 8 . 1 1 113 113 GLY N N 113 106.894 106.894 104.638 2.256 25852 5377 1 8 . 1 1 113 113 GLY CA C 113 42.536 42.536 44.590 -2.054 25852 5378 1 8 . 1 1 113 113 GLY H H 113 7.778 7.778 8.133 -0.355 25852 5379 1 8 . 1 1 114 114 GLU N N 114 119.776 119.776 121.428 -1.652 25852 5380 1 8 . 1 1 114 114 GLU HA H 114 4.267 4.267 4.489 -0.222 25852 5381 1 8 . 1 1 114 114 GLU CA C 114 52.067 52.067 55.258 -3.191 25852 5382 1 8 . 1 1 114 114 GLU CB C 114 26.616 26.616 32.162 -5.546 25852 5383 1 8 . 1 1 114 114 GLU H H 114 7.957 7.957 8.493 -0.536 25852 5384 1 8 . 1 1 115 115 LYS N N 115 124.429 124.429 121.660 2.769 25852 5385 1 8 . 1 1 115 115 LYS HA H 115 4.255 4.255 4.472 -0.217 25852 5386 1 8 . 1 1 115 115 LYS CA C 115 52.848 52.848 55.539 -2.691 25852 5387 1 8 . 1 1 115 115 LYS CB C 115 30.518 30.518 33.521 -3.003 25852 5388 1 8 . 1 1 115 115 LYS H H 115 8.591 8.591 8.418 0.173 25852 5389 1 8 . 1 1 116 116 LEU N N 116 124.724 124.724 125.020 -0.296 25852 5390 1 8 . 1 1 116 116 LEU HA H 116 4.690 4.690 4.849 -0.159 25852 5391 1 8 . 1 1 116 116 LEU CA C 116 51.089 51.089 53.672 -2.583 25852 5392 1 8 . 1 1 116 116 LEU CB C 116 42.588 42.588 44.270 -1.682 25852 5393 1 8 . 1 1 116 116 LEU H H 116 8.066 8.066 8.441 -0.375 25852 5394 1 8 . 1 1 117 117 THR N N 117 113.912 113.912 118.559 -4.647 25852 5395 1 8 . 1 1 117 117 THR HA H 117 4.302 4.302 4.356 -0.054 25852 5396 1 8 . 1 1 117 117 THR CA C 117 57.834 57.834 61.073 -3.239 25852 5397 1 8 . 1 1 117 117 THR CB C 117 68.580 68.580 70.819 -2.239 25852 5398 1 8 . 1 1 117 117 THR H H 117 9.165 9.165 8.910 0.255 25852 5399 1 8 . 1 1 118 118 ASP N N 118 120.787 120.787 120.332 0.455 25852 5400 1 8 . 1 1 118 118 ASP HA H 118 4.061 4.061 4.464 -0.403 25852 5401 1 8 . 1 1 118 118 ASP CA C 118 55.243 55.243 57.923 -2.680 25852 5402 1 8 . 1 1 118 118 ASP CB C 118 37.002 37.002 41.003 -4.001 25852 5403 1 8 . 1 1 118 118 ASP H H 118 8.860 8.860 8.739 0.121 25852 5404 1 8 . 1 1 119 119 GLU N N 119 119.091 119.091 117.615 1.476 25852 5405 1 8 . 1 1 119 119 GLU HA H 119 3.892 3.892 4.246 -0.354 25852 5406 1 8 . 1 1 119 119 GLU CA C 119 57.149 57.149 57.646 -0.497 25852 5407 1 8 . 1 1 119 119 GLU CB C 119 25.931 25.931 29.321 -3.390 25852 5408 1 8 . 1 1 119 119 GLU H H 119 8.618 8.618 8.515 0.103 25852 5409 1 8 . 1 1 120 120 GLU N N 120 120.037 120.037 117.687 2.350 25852 5410 1 8 . 1 1 120 120 GLU HA H 120 3.880 3.880 4.217 -0.337 25852 5411 1 8 . 1 1 120 120 GLU CA C 120 56.319 56.319 57.706 -1.387 25852 5412 1 8 . 1 1 120 120 GLU CB C 120 25.830 25.830 29.744 -3.913 25852 5413 1 8 . 1 1 120 120 GLU H H 120 7.659 7.659 8.459 -0.800 25852 5414 1 8 . 1 1 121 121 VAL N N 121 122.512 122.512 114.420 8.092 25852 5415 1 8 . 1 1 121 121 VAL HA H 121 3.385 3.385 4.104 -0.719 25852 5416 1 8 . 1 1 121 121 VAL CA C 121 64.090 64.090 63.754 0.336 25852 5417 1 8 . 1 1 121 121 VAL CB C 121 28.680 28.680 32.131 -3.451 25852 5418 1 8 . 1 1 121 121 VAL H H 121 7.887 7.887 7.335 0.552 25852 5419 1 8 . 1 1 122 122 ASP N N 122 119.993 119.993 122.407 -2.414 25852 5420 1 8 . 1 1 122 122 ASP HA H 122 4.157 4.157 4.536 -0.379 25852 5421 1 8 . 1 1 122 122 ASP CA C 122 54.901 54.901 56.226 -1.325 25852 5422 1 8 . 1 1 122 122 ASP CB C 122 37.572 37.572 39.668 -2.096 25852 5423 1 8 . 1 1 122 122 ASP H H 122 7.973 7.973 8.468 -0.495 25852 5424 1 8 . 1 1 123 123 GLU N N 123 119.521 119.521 114.274 5.247 25852 5425 1 8 . 1 1 123 123 GLU HA H 123 3.880 3.880 4.481 -0.601 25852 5426 1 8 . 1 1 123 123 GLU CA C 123 56.612 56.612 56.716 -0.104 25852 5427 1 8 . 1 1 123 123 GLU CB C 123 26.172 26.172 30.608 -4.436 25852 5428 1 8 . 1 1 123 123 GLU H H 123 7.903 7.903 8.238 -0.335 25852 5429 1 8 . 1 1 124 124 MET N N 124 118.961 118.961 119.425 -0.464 25852 5430 1 8 . 1 1 124 124 MET HA H 124 3.892 3.892 4.391 -0.499 25852 5431 1 8 . 1 1 124 124 MET CA C 124 56.905 56.905 58.808 -1.903 25852 5432 1 8 . 1 1 124 124 MET CB C 124 29.250 29.250 34.536 -5.286 25852 5433 1 8 . 1 1 124 124 MET H H 124 7.496 7.496 7.722 -0.226 25852 5434 1 8 . 1 1 125 125 ILE N N 125 117.801 117.801 115.931 1.870 25852 5435 1 8 . 1 1 125 125 ILE HA H 125 3.409 3.409 3.978 -0.569 25852 5436 1 8 . 1 1 125 125 ILE CA C 125 60.131 60.131 63.134 -3.003 25852 5437 1 8 . 1 1 125 125 ILE CB C 125 33.240 33.240 36.505 -3.265 25852 5438 1 8 . 1 1 125 125 ILE H H 125 7.762 7.762 7.525 0.237 25852 5439 1 8 . 1 1 126 126 ARG N N 126 117.729 117.729 120.017 -2.288 25852 5440 1 8 . 1 1 126 126 ARG HA H 126 3.883 3.883 4.014 -0.131 25852 5441 1 8 . 1 1 126 126 ARG CA C 126 56.673 56.673 59.606 -2.933 25852 5442 1 8 . 1 1 126 126 ARG CB C 126 29.478 29.478 29.744 -0.266 25852 5443 1 8 . 1 1 126 126 ARG H H 126 8.055 8.055 8.604 -0.549 25852 5444 1 8 . 1 1 127 127 GLU N N 127 117.539 117.539 115.485 2.054 25852 5445 1 8 . 1 1 127 127 GLU HA H 127 3.861 3.861 4.175 -0.314 25852 5446 1 8 . 1 1 127 127 GLU CA C 127 56.319 56.319 58.062 -1.743 25852 5447 1 8 . 1 1 127 127 GLU CB C 127 26.286 26.286 29.308 -3.022 25852 5448 1 8 . 1 1 127 127 GLU H H 127 7.700 7.700 8.323 -0.623 25852 5449 1 8 . 1 1 128 128 ALA N N 128 116.677 116.677 119.492 -2.815 25852 5450 1 8 . 1 1 128 128 ALA HA H 128 4.500 4.500 4.436 0.064 25852 5451 1 8 . 1 1 128 128 ALA CA C 128 48.205 48.205 51.642 -3.437 25852 5452 1 8 . 1 1 128 128 ALA CB C 128 19.633 19.633 21.043 -1.410 25852 5453 1 8 . 1 1 128 128 ALA H H 128 7.223 7.223 7.623 -0.400 25852 5454 1 8 . 1 1 129 129 ASP N N 129 118.030 118.030 119.346 -1.316 25852 5455 1 8 . 1 1 129 129 ASP HA H 129 4.460 4.460 4.698 -0.238 25852 5456 1 8 . 1 1 129 129 ASP CA C 129 51.485 51.485 56.169 -4.684 25852 5457 1 8 . 1 1 129 129 ASP CB C 129 38.195 38.195 41.702 -3.507 25852 5458 1 8 . 1 1 129 129 ASP H H 129 7.895 7.895 8.565 -0.670 25852 5459 1 8 . 1 1 130 130 ILE N N 130 127.693 127.693 125.735 1.958 25852 5460 1 8 . 1 1 130 130 ILE HA H 130 3.797 3.797 4.143 -0.346 25852 5461 1 8 . 1 1 130 130 ILE CA C 130 60.522 60.522 62.339 -1.817 25852 5462 1 8 . 1 1 130 130 ILE CB C 130 36.090 36.090 38.174 -2.084 25852 5463 1 8 . 1 1 130 130 ILE H H 130 8.148 8.148 9.181 -1.033 25852 5464 1 8 . 1 1 131 131 ASP N N 131 116.409 116.409 119.431 -3.022 25852 5465 1 8 . 1 1 131 131 ASP HA H 131 4.376 4.376 4.627 -0.251 25852 5466 1 8 . 1 1 131 131 ASP CA C 131 51.187 51.187 54.857 -3.670 25852 5467 1 8 . 1 1 131 131 ASP CB C 131 37.468 37.468 42.267 -4.799 25852 5468 1 8 . 1 1 131 131 ASP H H 131 8.288 8.288 7.974 0.314 25852 5469 1 8 . 1 1 132 132 GLY N N 132 108.363 108.363 108.834 -0.471 25852 5470 1 8 . 1 1 132 132 GLY CA C 132 44.638 44.638 45.200 -0.562 25852 5471 1 8 . 1 1 132 132 GLY H H 132 7.630 7.630 8.027 -0.397 25852 5472 1 8 . 1 1 133 133 ASP N N 133 120.183 120.183 120.278 -0.095 25852 5473 1 8 . 1 1 133 133 ASP HA H 133 4.329 4.329 4.663 -0.334 25852 5474 1 8 . 1 1 133 133 ASP CA C 133 50.942 50.942 54.183 -3.241 25852 5475 1 8 . 1 1 133 133 ASP CB C 133 37.458 37.458 41.914 -4.457 25852 5476 1 8 . 1 1 133 133 ASP H H 133 8.298 8.298 8.074 0.224 25852 5477 1 8 . 1 1 134 134 GLY N N 134 112.149 112.149 107.330 4.819 25852 5478 1 8 . 1 1 134 134 GLY CA C 134 43.122 43.122 45.025 -1.903 25852 5479 1 8 . 1 1 134 134 GLY H H 134 10.079 10.079 8.069 2.010 25852 5480 1 8 . 1 1 135 135 GLN N N 135 115.069 115.069 117.759 -2.690 25852 5481 1 8 . 1 1 135 135 GLN HA H 135 4.844 4.844 4.553 0.291 25852 5482 1 8 . 1 1 135 135 GLN CA C 135 50.454 50.454 54.637 -4.183 25852 5483 1 8 . 1 1 135 135 GLN CB C 135 30.614 30.614 31.844 -1.230 25852 5484 1 8 . 1 1 135 135 GLN H H 135 7.922 7.922 7.585 0.337 25852 5485 1 8 . 1 1 136 136 VAL N N 136 125.107 125.107 126.221 -1.114 25852 5486 1 8 . 1 1 136 136 VAL HA H 136 5.096 5.096 4.691 0.405 25852 5487 1 8 . 1 1 136 136 VAL CA C 136 58.713 58.713 61.152 -2.439 25852 5488 1 8 . 1 1 136 136 VAL CB C 136 31.416 31.416 33.159 -1.743 25852 5489 1 8 . 1 1 136 136 VAL H H 136 9.046 9.046 8.048 0.998 25852 5490 1 8 . 1 1 137 137 ASN N N 137 128.858 128.858 127.260 1.598 25852 5491 1 8 . 1 1 137 137 ASN HA H 137 5.226 5.226 5.083 0.143 25852 5492 1 8 . 1 1 137 137 ASN CA C 137 48.352 48.352 52.331 -3.979 25852 5493 1 8 . 1 1 137 137 ASN CB C 137 35.640 35.640 39.105 -3.465 25852 5494 1 8 . 1 1 137 137 ASN H H 137 9.458 9.458 9.289 0.169 25852 5495 1 8 . 1 1 138 138 TYR N N 138 118.481 118.481 120.286 -1.805 25852 5496 1 8 . 1 1 138 138 TYR HA H 138 3.603 3.603 4.549 -0.946 25852 5497 1 8 . 1 1 138 138 TYR CA C 138 59.669 59.669 63.100 -3.431 25852 5498 1 8 . 1 1 138 138 TYR CB C 138 37.572 37.572 38.279 -0.707 25852 5499 1 8 . 1 1 138 138 TYR H H 138 8.235 8.235 8.717 -0.482 25852 5500 1 8 . 1 1 139 139 GLU N N 139 118.474 118.474 117.985 0.489 25852 5501 1 8 . 1 1 139 139 GLU HA H 139 3.868 3.868 4.140 -0.272 25852 5502 1 8 . 1 1 139 139 GLU CA C 139 57.540 57.540 59.958 -2.418 25852 5503 1 8 . 1 1 139 139 GLU CB C 139 26.274 26.274 29.340 -3.066 25852 5504 1 8 . 1 1 139 139 GLU H H 139 8.067 8.067 8.712 -0.645 25852 5505 1 8 . 1 1 140 140 GLU N N 140 119.279 119.279 118.417 0.862 25852 5506 1 8 . 1 1 140 140 GLU HA H 140 3.880 3.880 4.200 -0.320 25852 5507 1 8 . 1 1 140 140 GLU CA C 140 56.025 56.025 58.626 -2.601 25852 5508 1 8 . 1 1 140 140 GLU CB C 140 26.274 26.274 29.912 -3.638 25852 5509 1 8 . 1 1 140 140 GLU H H 140 8.742 8.742 8.389 0.353 25852 5510 1 8 . 1 1 141 141 PHE N N 141 124.141 124.141 120.465 3.676 25852 5511 1 8 . 1 1 141 141 PHE HA H 141 3.602 3.602 4.220 -0.618 25852 5512 1 8 . 1 1 141 141 PHE CA C 141 59.447 59.447 60.582 -1.135 25852 5513 1 8 . 1 1 141 141 PHE CB C 141 37.686 37.686 39.328 -1.642 25852 5514 1 8 . 1 1 141 141 PHE H H 141 8.593 8.593 7.844 0.749 25852 5515 1 8 . 1 1 142 142 VAL N N 142 118.383 118.383 117.653 0.730 25852 5516 1 8 . 1 1 142 142 VAL HA H 142 2.986 2.986 3.857 -0.871 25852 5517 1 8 . 1 1 142 142 VAL CA C 142 64.432 64.432 66.135 -1.703 25852 5518 1 8 . 1 1 142 142 VAL CB C 142 28.908 28.908 32.262 -3.354 25852 5519 1 8 . 1 1 142 142 VAL H H 142 8.776 8.776 8.193 0.583 25852 5520 1 8 . 1 1 143 143 GLN N N 143 119.891 119.891 120.939 -1.048 25852 5521 1 8 . 1 1 143 143 GLN HA H 143 3.671 3.671 3.974 -0.303 25852 5522 1 8 . 1 1 143 143 GLN CA C 143 56.514 56.514 58.580 -2.066 25852 5523 1 8 . 1 1 143 143 GLN CB C 143 25.246 25.246 27.655 -2.409 25852 5524 1 8 . 1 1 143 143 GLN H H 143 7.787 7.787 8.136 -0.349 25852 5525 1 8 . 1 1 144 144 MET N N 144 118.429 118.429 119.698 -1.269 25852 5526 1 8 . 1 1 144 144 MET HA H 144 3.892 3.892 4.137 -0.245 25852 5527 1 8 . 1 1 144 144 MET CA C 144 55.683 55.683 58.179 -2.496 25852 5528 1 8 . 1 1 144 144 MET CB C 144 28.110 28.110 32.365 -4.255 25852 5529 1 8 . 1 1 144 144 MET H H 144 7.450 7.450 7.549 -0.099 25852 5530 1 8 . 1 1 145 145 MET N N 145 114.145 114.145 112.271 1.874 25852 5531 1 8 . 1 1 145 145 MET HA H 145 3.905 3.905 4.507 -0.602 25852 5532 1 8 . 1 1 145 145 MET CA C 145 53.630 53.630 57.095 -3.465 25852 5533 1 8 . 1 1 145 145 MET CB C 145 29.592 29.592 33.080 -3.488 25852 5534 1 8 . 1 1 145 145 MET H H 145 7.724 7.724 7.812 -0.088 25852 5535 1 8 . 1 1 146 146 THR N N 146 108.482 108.482 113.273 -4.791 25852 5536 1 8 . 1 1 146 146 THR HA H 146 4.170 4.170 4.425 -0.255 25852 5537 1 8 . 1 1 146 146 THR CA C 146 59.251 59.251 62.260 -3.009 25852 5538 1 8 . 1 1 146 146 THR CB C 146 67.896 67.896 70.510 -2.614 25852 5539 1 8 . 1 1 146 146 THR H H 146 7.700 7.700 7.769 -0.069 25852 5540 1 8 . 1 1 147 147 ALA N N 147 126.469 126.469 125.712 0.757 25852 5541 1 8 . 1 1 147 147 ALA HA H 147 4.095 4.095 4.063 0.032 25852 5542 1 8 . 1 1 147 147 ALA CA C 147 50.307 50.307 54.280 -3.973 25852 5543 1 8 . 1 1 147 147 ALA CB C 147 16.336 16.336 19.251 -2.915 25852 5544 1 8 . 1 1 147 147 ALA H H 147 7.291 7.291 8.802 -1.511 25852 5545 1 9 . 1 1 3 3 GLN N N 3 118.120 118.120 121.603 -3.483 25852 5546 1 9 . 1 1 3 3 GLN HA H 3 4.688 4.688 4.393 0.295 25852 5547 1 9 . 1 1 3 3 GLN CA C 3 53.500 53.500 55.228 -1.728 25852 5548 1 9 . 1 1 3 3 GLN CB C 3 29.475 29.475 29.710 -0.235 25852 5549 1 9 . 1 1 3 3 GLN H H 3 8.134 8.134 8.329 -0.195 25852 5550 1 9 . 1 1 4 4 LEU N N 4 121.407 121.407 120.682 0.725 25852 5551 1 9 . 1 1 4 4 LEU HA H 4 4.460 4.460 4.631 -0.171 25852 5552 1 9 . 1 1 4 4 LEU CA C 4 51.650 51.650 53.953 -2.304 25852 5553 1 9 . 1 1 4 4 LEU CB C 4 40.715 40.715 41.795 -1.080 25852 5554 1 9 . 1 1 4 4 LEU H H 4 8.202 8.202 8.064 0.138 25852 5555 1 9 . 1 1 5 5 THR N N 5 112.733 112.733 112.578 0.155 25852 5556 1 9 . 1 1 5 5 THR HA H 5 4.265 4.265 4.499 -0.234 25852 5557 1 9 . 1 1 5 5 THR CA C 5 59.433 59.433 60.638 -1.205 25852 5558 1 9 . 1 1 5 5 THR CB C 5 67.475 67.475 70.117 -2.642 25852 5559 1 9 . 1 1 5 5 THR H H 5 8.691 8.691 7.984 0.707 25852 5560 1 9 . 1 1 6 6 GLU N N 6 119.971 119.971 120.762 -0.791 25852 5561 1 9 . 1 1 6 6 GLU HA H 6 3.854 3.854 3.965 -0.111 25852 5562 1 9 . 1 1 6 6 GLU CA C 6 56.756 56.756 59.409 -2.653 25852 5563 1 9 . 1 1 6 6 GLU CB C 6 26.508 26.508 29.312 -2.804 25852 5564 1 9 . 1 1 6 6 GLU H H 6 8.953 8.953 8.778 0.175 25852 5565 1 9 . 1 1 7 7 GLU N N 7 119.133 119.133 118.525 0.608 25852 5566 1 9 . 1 1 7 7 GLU HA H 7 3.898 3.898 4.047 -0.149 25852 5567 1 9 . 1 1 7 7 GLU CA C 7 56.756 56.756 59.134 -2.378 25852 5568 1 9 . 1 1 7 7 GLU CB C 7 26.279 26.279 28.857 -2.578 25852 5569 1 9 . 1 1 7 7 GLU H H 7 8.653 8.653 8.710 -0.057 25852 5570 1 9 . 1 1 8 8 GLN N N 8 120.207 120.207 119.291 0.916 25852 5571 1 9 . 1 1 8 8 GLN HA H 8 3.957 3.957 4.214 -0.257 25852 5572 1 9 . 1 1 8 8 GLN CA C 8 57.099 57.099 58.800 -1.701 25852 5573 1 9 . 1 1 8 8 GLN CB C 8 26.737 26.737 28.811 -2.075 25852 5574 1 9 . 1 1 8 8 GLN H H 8 7.645 7.645 7.757 -0.112 25852 5575 1 9 . 1 1 9 9 ILE N N 9 118.171 118.171 119.968 -1.797 25852 5576 1 9 . 1 1 9 9 ILE HA H 9 3.354 3.354 4.175 -0.821 25852 5577 1 9 . 1 1 9 9 ILE CA C 9 62.714 62.714 62.736 -0.022 25852 5578 1 9 . 1 1 9 9 ILE CB C 9 35.216 35.216 36.617 -1.401 25852 5579 1 9 . 1 1 9 9 ILE H H 9 8.153 8.153 7.553 0.600 25852 5580 1 9 . 1 1 10 10 ALA N N 10 120.124 120.124 120.665 -0.541 25852 5581 1 9 . 1 1 10 10 ALA HA H 10 3.966 3.966 4.190 -0.224 25852 5582 1 9 . 1 1 10 10 ALA CA C 10 52.746 52.746 54.526 -1.780 25852 5583 1 9 . 1 1 10 10 ALA CB C 10 15.165 15.165 19.041 -3.876 25852 5584 1 9 . 1 1 10 10 ALA H H 10 7.835 7.835 8.263 -0.428 25852 5585 1 9 . 1 1 11 11 GLU N N 11 119.983 119.983 115.833 4.150 25852 5586 1 9 . 1 1 11 11 GLU HA H 11 3.904 3.904 4.883 -0.979 25852 5587 1 9 . 1 1 11 11 GLU CA C 11 56.560 56.560 56.835 -0.275 25852 5588 1 9 . 1 1 11 11 GLU CB C 11 27.425 27.425 31.724 -4.299 25852 5589 1 9 . 1 1 11 11 GLU H H 11 7.706 7.706 7.763 -0.057 25852 5590 1 9 . 1 1 12 12 PHE N N 12 119.907 119.907 119.612 0.295 25852 5591 1 9 . 1 1 12 12 PHE HA H 12 4.726 4.726 4.635 0.091 25852 5592 1 9 . 1 1 12 12 PHE CA C 12 55.839 55.839 60.142 -4.303 25852 5593 1 9 . 1 1 12 12 PHE CB C 12 33.955 33.955 39.246 -5.291 25852 5594 1 9 . 1 1 12 12 PHE H H 12 8.728 8.728 8.702 0.026 25852 5595 1 9 . 1 1 13 13 LYS N N 13 121.208 121.208 118.513 2.695 25852 5596 1 9 . 1 1 13 13 LYS HA H 13 3.904 3.904 3.583 0.321 25852 5597 1 9 . 1 1 13 13 LYS CA C 13 57.290 57.290 58.141 -0.851 25852 5598 1 9 . 1 1 13 13 LYS CB C 13 30.174 30.174 32.663 -2.489 25852 5599 1 9 . 1 1 13 13 LYS H H 13 9.161 9.161 8.058 1.103 25852 5600 1 9 . 1 1 14 14 GLU N N 14 120.226 120.226 120.545 -0.319 25852 5601 1 9 . 1 1 14 14 GLU HA H 14 3.953 3.953 4.268 -0.315 25852 5602 1 9 . 1 1 14 14 GLU CA C 14 56.460 56.460 58.537 -2.077 25852 5603 1 9 . 1 1 14 14 GLU CB C 14 26.623 26.623 29.555 -2.932 25852 5604 1 9 . 1 1 14 14 GLU H H 14 7.980 7.980 8.046 -0.066 25852 5605 1 9 . 1 1 15 15 ALA N N 15 120.572 120.572 122.237 -1.665 25852 5606 1 9 . 1 1 15 15 ALA HA H 15 4.170 4.170 4.232 -0.062 25852 5607 1 9 . 1 1 15 15 ALA CA C 15 52.750 52.750 54.757 -2.007 25852 5608 1 9 . 1 1 15 15 ALA CB C 15 16.425 16.425 18.743 -2.318 25852 5609 1 9 . 1 1 15 15 ALA H H 15 7.563 7.563 8.727 -1.164 25852 5610 1 9 . 1 1 16 16 PHE N N 16 117.784 117.784 116.373 1.411 25852 5611 1 9 . 1 1 16 16 PHE HA H 16 3.904 3.904 4.488 -0.584 25852 5612 1 9 . 1 1 16 16 PHE CA C 16 59.540 59.540 60.387 -0.847 25852 5613 1 9 . 1 1 16 16 PHE CB C 16 36.820 36.820 40.672 -3.852 25852 5614 1 9 . 1 1 16 16 PHE H H 16 8.453 8.453 8.070 0.383 25852 5615 1 9 . 1 1 17 17 SER N N 17 110.774 110.774 115.170 -4.396 25852 5616 1 9 . 1 1 17 17 SER HA H 17 4.086 4.086 4.407 -0.321 25852 5617 1 9 . 1 1 17 17 SER CA C 17 58.560 58.560 60.289 -1.729 25852 5618 1 9 . 1 1 17 17 SER CB C 17 60.651 60.651 63.346 -2.695 25852 5619 1 9 . 1 1 17 17 SER H H 17 8.351 8.351 7.932 0.419 25852 5620 1 9 . 1 1 18 18 LEU N N 18 120.947 120.947 121.217 -0.270 25852 5621 1 9 . 1 1 18 18 LEU HA H 18 3.614 3.614 4.077 -0.463 25852 5622 1 9 . 1 1 18 18 LEU CA C 18 55.839 55.839 57.910 -2.071 25852 5623 1 9 . 1 1 18 18 LEU CB C 18 39.111 39.111 42.624 -3.513 25852 5624 1 9 . 1 1 18 18 LEU H H 18 7.278 7.278 8.376 -1.098 25852 5625 1 9 . 1 1 19 19 PHE N N 19 114.458 114.458 113.410 1.048 25852 5626 1 9 . 1 1 19 19 PHE HA H 19 3.904 3.904 4.567 -0.663 25852 5627 1 9 . 1 1 19 19 PHE CA C 19 56.870 56.870 57.695 -0.825 25852 5628 1 9 . 1 1 19 19 PHE CB C 19 33.841 33.841 41.719 -7.878 25852 5629 1 9 . 1 1 19 19 PHE H H 19 7.304 7.304 7.576 -0.272 25852 5630 1 9 . 1 1 20 20 ASP N N 20 122.233 122.233 121.776 0.457 25852 5631 1 9 . 1 1 20 20 ASP HA H 20 4.874 4.874 4.600 0.274 25852 5632 1 9 . 1 1 20 20 ASP CA C 20 50.454 50.454 53.345 -2.891 25852 5633 1 9 . 1 1 20 20 ASP CB C 20 37.622 37.622 38.840 -1.218 25852 5634 1 9 . 1 1 20 20 ASP H H 20 7.233 7.233 8.001 -0.768 25852 5635 1 9 . 1 1 21 21 LYS N N 21 123.433 123.433 120.140 3.293 25852 5636 1 9 . 1 1 21 21 LYS HA H 21 3.771 3.771 4.262 -0.491 25852 5637 1 9 . 1 1 21 21 LYS CA C 21 56.025 56.025 57.238 -1.213 25852 5638 1 9 . 1 1 21 21 LYS CB C 21 29.601 29.601 32.475 -2.874 25852 5639 1 9 . 1 1 21 21 LYS H H 21 8.007 8.007 7.845 0.162 25852 5640 1 9 . 1 1 22 22 ASP N N 22 116.890 116.890 120.126 -3.236 25852 5641 1 9 . 1 1 22 22 ASP HA H 22 4.400 4.400 4.528 -0.128 25852 5642 1 9 . 1 1 22 22 ASP CA C 22 50.683 50.683 54.998 -4.315 25852 5643 1 9 . 1 1 22 22 ASP CB C 22 37.049 37.049 41.115 -4.066 25852 5644 1 9 . 1 1 22 22 ASP H H 22 8.641 8.641 8.270 0.371 25852 5645 1 9 . 1 1 23 23 GLY N N 23 110.068 110.068 107.201 2.867 25852 5646 1 9 . 1 1 23 23 GLY CA C 23 43.745 43.745 45.261 -1.516 25852 5647 1 9 . 1 1 23 23 GLY H H 23 7.938 7.938 8.365 -0.427 25852 5648 1 9 . 1 1 24 24 ASP N N 24 120.219 120.219 120.258 -0.039 25852 5649 1 9 . 1 1 24 24 ASP HA H 24 4.367 4.367 4.723 -0.356 25852 5650 1 9 . 1 1 24 24 ASP CA C 24 51.040 51.040 53.694 -2.654 25852 5651 1 9 . 1 1 24 24 ASP CB C 24 37.438 37.438 41.212 -3.774 25852 5652 1 9 . 1 1 24 24 ASP H H 24 8.723 8.723 8.100 0.623 25852 5653 1 9 . 1 1 25 25 GLY N N 25 111.889 111.889 109.552 2.337 25852 5654 1 9 . 1 1 25 25 GLY CA C 25 42.680 42.680 45.734 -3.054 25852 5655 1 9 . 1 1 25 25 GLY H H 25 10.132 10.132 8.500 1.632 25852 5656 1 9 . 1 1 26 26 THR N N 26 109.844 109.844 116.862 -7.018 25852 5657 1 9 . 1 1 26 26 THR HA H 26 5.386 5.386 4.317 1.069 25852 5658 1 9 . 1 1 26 26 THR CA C 26 56.950 56.950 59.711 -2.761 25852 5659 1 9 . 1 1 26 26 THR CB C 26 70.234 70.234 71.780 -1.546 25852 5660 1 9 . 1 1 26 26 THR H H 26 7.507 7.507 7.675 -0.168 25852 5661 1 9 . 1 1 27 27 ILE N N 27 110.289 110.289 116.202 -5.913 25852 5662 1 9 . 1 1 27 27 ILE HA H 27 3.891 3.891 4.383 -0.492 25852 5663 1 9 . 1 1 27 27 ILE CA C 27 58.360 58.360 60.738 -2.378 25852 5664 1 9 . 1 1 27 27 ILE CB C 27 35.559 35.559 38.384 -2.825 25852 5665 1 9 . 1 1 27 27 ILE H H 27 8.191 8.191 8.163 0.028 25852 5666 1 9 . 1 1 28 28 THR N N 28 110.507 110.507 114.531 -4.024 25852 5667 1 9 . 1 1 28 28 THR HA H 28 4.895 4.895 4.357 0.538 25852 5668 1 9 . 1 1 28 28 THR CA C 28 57.787 57.787 61.378 -3.591 25852 5669 1 9 . 1 1 28 28 THR CB C 28 68.099 68.099 69.977 -1.878 25852 5670 1 9 . 1 1 28 28 THR H H 28 8.265 8.265 7.894 0.371 25852 5671 1 9 . 1 1 29 29 THR N N 29 112.331 112.331 115.360 -3.029 25852 5672 1 9 . 1 1 29 29 THR HA H 29 3.941 3.941 4.062 -0.121 25852 5673 1 9 . 1 1 29 29 THR CA C 29 63.840 63.840 65.133 -1.293 25852 5674 1 9 . 1 1 29 29 THR CB C 29 65.807 65.807 68.690 -2.883 25852 5675 1 9 . 1 1 29 29 THR H H 29 8.225 8.225 8.338 -0.113 25852 5676 1 9 . 1 1 30 30 LYS N N 30 118.985 118.985 121.547 -2.562 25852 5677 1 9 . 1 1 30 30 LYS HA H 30 3.965 3.965 4.014 -0.049 25852 5678 1 9 . 1 1 30 30 LYS CA C 30 55.839 55.839 59.010 -3.171 25852 5679 1 9 . 1 1 30 30 LYS CB C 30 29.372 29.372 31.992 -2.620 25852 5680 1 9 . 1 1 30 30 LYS H H 30 7.559 7.559 8.648 -1.089 25852 5681 1 9 . 1 1 31 31 GLU N N 31 117.233 117.233 114.759 2.474 25852 5682 1 9 . 1 1 31 31 GLU HA H 31 3.965 3.965 4.141 -0.176 25852 5683 1 9 . 1 1 31 31 GLU CA C 31 57.140 57.140 56.408 0.732 25852 5684 1 9 . 1 1 31 31 GLU CB C 31 26.393 26.393 30.088 -3.695 25852 5685 1 9 . 1 1 31 31 GLU H H 31 7.431 7.431 7.720 -0.289 25852 5686 1 9 . 1 1 32 32 LEU N N 32 120.701 120.701 122.707 -2.006 25852 5687 1 9 . 1 1 32 32 LEU HA H 32 3.880 3.880 3.785 0.095 25852 5688 1 9 . 1 1 32 32 LEU CA C 32 55.520 55.520 57.969 -2.449 25852 5689 1 9 . 1 1 32 32 LEU CB C 32 39.226 39.226 41.582 -2.356 25852 5690 1 9 . 1 1 32 32 LEU H H 32 7.270 7.270 7.608 -0.338 25852 5691 1 9 . 1 1 33 33 GLY N N 33 105.217 105.217 104.513 0.704 25852 5692 1 9 . 1 1 33 33 GLY CA C 33 45.642 45.642 47.525 -1.883 25852 5693 1 9 . 1 1 33 33 GLY H H 33 8.737 8.737 8.146 0.591 25852 5694 1 9 . 1 1 34 34 THR N N 34 118.196 118.196 118.417 -0.221 25852 5695 1 9 . 1 1 34 34 THR HA H 34 3.916 3.916 4.037 -0.121 25852 5696 1 9 . 1 1 34 34 THR CA C 34 63.859 63.859 65.911 -2.052 25852 5697 1 9 . 1 1 34 34 THR CB C 34 65.807 65.807 68.602 -2.795 25852 5698 1 9 . 1 1 34 34 THR H H 34 7.446 7.446 7.368 0.078 25852 5699 1 9 . 1 1 35 35 VAL N N 35 122.546 122.546 121.072 1.474 25852 5700 1 9 . 1 1 35 35 VAL HA H 35 3.373 3.373 3.974 -0.601 25852 5701 1 9 . 1 1 35 35 VAL CA C 35 64.088 64.088 64.406 -0.318 25852 5702 1 9 . 1 1 35 35 VAL CB C 35 28.799 28.799 30.268 -1.469 25852 5703 1 9 . 1 1 35 35 VAL H H 35 7.889 7.889 7.514 0.375 25852 5704 1 9 . 1 1 36 36 MET N N 36 118.307 118.307 118.292 0.015 25852 5705 1 9 . 1 1 36 36 MET HA H 36 3.880 3.880 4.186 -0.306 25852 5706 1 9 . 1 1 36 36 MET CA C 36 56.870 56.870 59.155 -2.285 25852 5707 1 9 . 1 1 36 36 MET CB C 36 26.279 26.279 32.928 -6.649 25852 5708 1 9 . 1 1 36 36 MET H H 36 8.386 8.386 7.996 0.390 25852 5709 1 9 . 1 1 37 37 ARG N N 37 119.233 119.233 119.064 0.169 25852 5710 1 9 . 1 1 37 37 ARG HA H 37 3.904 3.904 4.671 -0.767 25852 5711 1 9 . 1 1 37 37 ARG CA C 37 56.170 56.170 58.689 -2.519 25852 5712 1 9 . 1 1 37 37 ARG CB C 37 27.310 27.310 30.385 -3.075 25852 5713 1 9 . 1 1 37 37 ARG H H 37 8.451 8.451 8.264 0.187 25852 5714 1 9 . 1 1 38 38 SER N N 38 118.720 118.720 117.227 1.493 25852 5715 1 9 . 1 1 38 38 SER HA H 38 4.176 4.176 4.297 -0.121 25852 5716 1 9 . 1 1 38 38 SER CA C 38 59.250 59.250 60.919 -1.669 25852 5717 1 9 . 1 1 38 38 SER CB C 38 67.411 67.411 62.942 4.469 25852 5718 1 9 . 1 1 38 38 SER H H 38 8.040 8.040 8.315 -0.275 25852 5719 1 9 . 1 1 39 39 LEU N N 39 120.896 120.896 119.934 0.962 25852 5720 1 9 . 1 1 39 39 LEU HA H 39 4.460 4.460 4.446 0.014 25852 5721 1 9 . 1 1 39 39 LEU CA C 39 51.330 51.330 54.937 -3.607 25852 5722 1 9 . 1 1 39 39 LEU CB C 39 40.257 40.257 42.094 -1.837 25852 5723 1 9 . 1 1 39 39 LEU H H 39 7.263 7.263 7.402 -0.139 25852 5724 1 9 . 1 1 40 40 GLY N N 40 106.917 106.917 106.868 0.049 25852 5725 1 9 . 1 1 40 40 GLY CA C 40 42.880 42.880 44.667 -1.787 25852 5726 1 9 . 1 1 40 40 GLY H H 40 7.841 7.841 7.927 -0.086 25852 5727 1 9 . 1 1 41 41 GLN N N 41 117.171 117.171 120.360 -3.189 25852 5728 1 9 . 1 1 41 41 GLN HA H 41 4.243 4.243 4.312 -0.069 25852 5729 1 9 . 1 1 41 41 GLN CA C 41 52.631 52.631 55.367 -2.736 25852 5730 1 9 . 1 1 41 41 GLN CB C 41 30.747 30.747 29.910 0.837 25852 5731 1 9 . 1 1 41 41 GLN H H 41 7.687 7.687 7.666 0.021 25852 5732 1 9 . 1 1 42 42 ASN N N 42 116.423 116.423 121.271 -4.848 25852 5733 1 9 . 1 1 42 42 ASN HA H 42 5.016 5.016 5.024 -0.008 25852 5734 1 9 . 1 1 42 42 ASN CA C 42 48.640 48.640 50.259 -1.619 25852 5735 1 9 . 1 1 42 42 ASN CB C 42 36.591 36.591 38.813 -2.222 25852 5736 1 9 . 1 1 42 42 ASN H H 42 8.601 8.601 8.711 -0.110 25852 5737 1 9 . 1 1 44 44 THR N N 44 113.033 113.033 114.740 -1.707 25852 5738 1 9 . 1 1 44 44 THR HA H 44 4.279 4.279 4.507 -0.228 25852 5739 1 9 . 1 1 44 44 THR CA C 44 57.640 57.640 61.278 -3.638 25852 5740 1 9 . 1 1 44 44 THR CB C 44 68.328 68.328 71.323 -2.995 25852 5741 1 9 . 1 1 44 44 THR H H 44 8.711 8.711 7.946 0.765 25852 5742 1 9 . 1 1 45 45 GLU N N 45 120.233 120.233 121.670 -1.437 25852 5743 1 9 . 1 1 45 45 GLU HA H 45 3.892 3.892 4.193 -0.301 25852 5744 1 9 . 1 1 45 45 GLU CA C 45 56.756 56.756 58.590 -1.834 25852 5745 1 9 . 1 1 45 45 GLU CB C 45 26.393 26.393 29.503 -3.111 25852 5746 1 9 . 1 1 45 45 GLU H H 45 8.781 8.781 8.885 -0.104 25852 5747 1 9 . 1 1 46 46 ALA N N 46 120.833 120.833 122.626 -1.793 25852 5748 1 9 . 1 1 46 46 ALA HA H 46 3.868 3.868 4.207 -0.339 25852 5749 1 9 . 1 1 46 46 ALA CA C 46 52.310 52.310 54.853 -2.543 25852 5750 1 9 . 1 1 46 46 ALA CB C 46 15.394 15.394 18.355 -2.961 25852 5751 1 9 . 1 1 46 46 ALA H H 46 8.251 8.251 8.004 0.247 25852 5752 1 9 . 1 1 47 47 GLU N N 47 118.672 118.672 118.671 0.001 25852 5753 1 9 . 1 1 47 47 GLU HA H 47 3.965 3.965 4.521 -0.556 25852 5754 1 9 . 1 1 47 47 GLU CA C 47 56.641 56.641 58.884 -2.243 25852 5755 1 9 . 1 1 47 47 GLU CB C 47 26.623 26.623 29.203 -2.580 25852 5756 1 9 . 1 1 47 47 GLU H H 47 7.668 7.668 8.607 -0.939 25852 5757 1 9 . 1 1 48 48 LEU N N 48 119.645 119.645 119.813 -0.168 25852 5758 1 9 . 1 1 48 48 LEU HA H 48 3.892 3.892 4.080 -0.188 25852 5759 1 9 . 1 1 48 48 LEU CA C 48 55.610 55.610 57.897 -2.287 25852 5760 1 9 . 1 1 48 48 LEU CB C 48 39.340 39.340 41.286 -1.946 25852 5761 1 9 . 1 1 48 48 LEU H H 48 8.244 8.244 7.621 0.623 25852 5762 1 9 . 1 1 49 49 GLN N N 49 117.446 117.446 117.165 0.281 25852 5763 1 9 . 1 1 49 49 GLN HA H 49 3.892 3.892 4.199 -0.307 25852 5764 1 9 . 1 1 49 49 GLN CA C 49 56.756 56.756 58.038 -1.282 25852 5765 1 9 . 1 1 49 49 GLN CB C 49 26.508 26.508 28.365 -1.857 25852 5766 1 9 . 1 1 49 49 GLN H H 49 7.980 7.980 7.704 0.276 25852 5767 1 9 . 1 1 50 50 ASP N N 50 118.733 118.733 121.173 -2.440 25852 5768 1 9 . 1 1 50 50 ASP HA H 50 4.267 4.267 4.508 -0.241 25852 5769 1 9 . 1 1 50 50 ASP CA C 50 54.700 54.700 57.000 -2.300 25852 5770 1 9 . 1 1 50 50 ASP CB C 50 37.622 37.622 40.873 -3.251 25852 5771 1 9 . 1 1 50 50 ASP H H 50 7.761 7.761 7.710 0.051 25852 5772 1 9 . 1 1 51 51 MET N N 51 118.996 118.996 117.911 1.085 25852 5773 1 9 . 1 1 51 51 MET HA H 51 3.892 3.892 4.472 -0.580 25852 5774 1 9 . 1 1 51 51 MET CA C 51 56.560 56.560 56.368 0.192 25852 5775 1 9 . 1 1 51 51 MET CB C 51 29.601 29.601 32.298 -2.697 25852 5776 1 9 . 1 1 51 51 MET H H 51 7.900 7.900 7.860 0.040 25852 5777 1 9 . 1 1 52 52 ILE N N 52 118.833 118.833 120.123 -1.290 25852 5778 1 9 . 1 1 52 52 ILE HA H 52 3.348 3.348 3.815 -0.467 25852 5779 1 9 . 1 1 52 52 ILE CA C 52 62.484 62.484 63.100 -0.616 25852 5780 1 9 . 1 1 52 52 ILE CB C 52 35.330 35.330 36.238 -0.908 25852 5781 1 9 . 1 1 52 52 ILE H H 52 8.261 8.261 7.936 0.325 25852 5782 1 9 . 1 1 53 53 ASN N N 53 117.296 117.296 117.937 -0.641 25852 5783 1 9 . 1 1 53 53 ASN HA H 53 4.243 4.243 4.463 -0.220 25852 5784 1 9 . 1 1 53 53 ASN CA C 53 53.090 53.090 56.021 -2.931 25852 5785 1 9 . 1 1 53 53 ASN CB C 53 35.330 35.330 39.045 -3.715 25852 5786 1 9 . 1 1 53 53 ASN H H 53 8.186 8.186 7.980 0.206 25852 5787 1 9 . 1 1 54 54 GLU N N 54 117.133 117.133 118.319 -1.186 25852 5788 1 9 . 1 1 54 54 GLU HA H 54 3.965 3.965 4.283 -0.318 25852 5789 1 9 . 1 1 54 54 GLU CA C 54 56.412 56.412 57.872 -1.460 25852 5790 1 9 . 1 1 54 54 GLU CB C 54 26.508 26.508 30.380 -3.872 25852 5791 1 9 . 1 1 54 54 GLU H H 54 7.501 7.501 7.587 -0.086 25852 5792 1 9 . 1 1 55 55 VAL N N 55 112.928 112.928 118.787 -5.859 25852 5793 1 9 . 1 1 55 55 VAL HA H 55 4.194 4.194 3.843 0.351 25852 5794 1 9 . 1 1 55 55 VAL CA C 55 59.505 59.505 65.772 -6.266 25852 5795 1 9 . 1 1 55 55 VAL CB C 55 30.174 30.174 31.942 -1.768 25852 5796 1 9 . 1 1 55 55 VAL H H 55 7.575 7.575 8.441 -0.866 25852 5797 1 9 . 1 1 56 56 ASP N N 56 121.771 121.771 119.975 1.796 25852 5798 1 9 . 1 1 56 56 ASP HA H 56 4.388 4.388 4.505 -0.117 25852 5799 1 9 . 1 1 56 56 ASP CA C 56 50.990 50.990 54.411 -3.421 25852 5800 1 9 . 1 1 56 56 ASP CB C 56 36.820 36.820 39.716 -2.896 25852 5801 1 9 . 1 1 56 56 ASP H H 56 8.401 8.401 7.870 0.531 25852 5802 1 9 . 1 1 57 57 ALA N N 57 124.771 124.771 120.946 3.825 25852 5803 1 9 . 1 1 57 57 ALA HA H 57 4.001 4.001 4.279 -0.278 25852 5804 1 9 . 1 1 57 57 ALA CA C 57 52.402 52.402 53.446 -1.044 25852 5805 1 9 . 1 1 57 57 ALA CB C 57 15.280 15.280 19.297 -4.017 25852 5806 1 9 . 1 1 57 57 ALA H H 57 8.097 8.097 8.008 0.089 25852 5807 1 9 . 1 1 58 58 ASP N N 58 114.518 114.518 118.936 -4.418 25852 5808 1 9 . 1 1 58 58 ASP HA H 58 4.400 4.400 4.676 -0.276 25852 5809 1 9 . 1 1 58 58 ASP CA C 58 50.798 50.798 54.230 -3.433 25852 5810 1 9 . 1 1 58 58 ASP CB C 58 36.934 36.934 42.143 -5.209 25852 5811 1 9 . 1 1 58 58 ASP H H 58 8.376 8.376 7.765 0.611 25852 5812 1 9 . 1 1 59 59 GLY N N 59 108.798 108.798 108.350 0.448 25852 5813 1 9 . 1 1 59 59 GLY CA C 59 44.490 44.490 45.510 -1.020 25852 5814 1 9 . 1 1 59 59 GLY H H 59 7.827 7.827 8.666 -0.839 25852 5815 1 9 . 1 1 60 60 ASN N N 60 119.696 119.696 118.216 1.480 25852 5816 1 9 . 1 1 60 60 ASN HA H 60 4.688 4.688 4.733 -0.045 25852 5817 1 9 . 1 1 60 60 ASN CA C 60 51.943 51.943 53.219 -1.276 25852 5818 1 9 . 1 1 60 60 ASN CB C 60 38.424 38.424 39.528 -1.103 25852 5819 1 9 . 1 1 60 60 ASN H H 60 9.253 9.253 8.277 0.976 25852 5820 1 9 . 1 1 61 61 GLY N N 61 110.108 110.108 110.112 -0.004 25852 5821 1 9 . 1 1 61 61 GLY CA C 61 42.870 42.870 45.736 -2.866 25852 5822 1 9 . 1 1 61 61 GLY H H 61 10.004 10.004 8.726 1.278 25852 5823 1 9 . 1 1 62 62 THR N N 62 110.533 110.533 112.530 -1.997 25852 5824 1 9 . 1 1 62 62 THR HA H 62 4.629 4.629 4.762 -0.133 25852 5825 1 9 . 1 1 62 62 THR CA C 62 59.162 59.162 60.247 -1.085 25852 5826 1 9 . 1 1 62 62 THR CB C 62 67.526 67.526 72.776 -5.250 25852 5827 1 9 . 1 1 62 62 THR H H 62 7.481 7.481 7.484 -0.003 25852 5828 1 9 . 1 1 63 63 ILE N N 63 118.533 118.533 122.852 -4.319 25852 5829 1 9 . 1 1 63 63 ILE HA H 63 3.783 3.783 4.349 -0.566 25852 5830 1 9 . 1 1 63 63 ILE CA C 63 60.537 60.537 59.907 0.630 25852 5831 1 9 . 1 1 63 63 ILE CB C 63 36.018 36.018 39.060 -3.042 25852 5832 1 9 . 1 1 63 63 ILE H H 63 8.820 8.820 8.660 0.160 25852 5833 1 9 . 1 1 64 64 ASP N N 64 122.928 122.928 127.390 -4.462 25852 5834 1 9 . 1 1 64 64 ASP HA H 64 4.327 4.327 4.589 -0.262 25852 5835 1 9 . 1 1 64 64 ASP CA C 64 51.027 51.027 56.222 -5.195 25852 5836 1 9 . 1 1 64 64 ASP CB C 64 37.278 37.278 41.728 -4.450 25852 5837 1 9 . 1 1 64 64 ASP H H 64 8.380 8.380 8.524 -0.144 25852 5838 1 9 . 1 1 65 65 PHE N N 65 118.559 118.559 118.911 -0.352 25852 5839 1 9 . 1 1 65 65 PHE HA H 65 3.880 3.880 5.019 -1.139 25852 5840 1 9 . 1 1 65 65 PHE CA C 65 56.870 56.870 61.134 -4.264 25852 5841 1 9 . 1 1 65 65 PHE CB C 65 33.497 33.497 36.777 -3.280 25852 5842 1 9 . 1 1 65 65 PHE H H 65 8.559 8.559 8.425 0.134 25852 5843 1 9 . 1 1 67 67 GLU N N 67 117.546 117.546 114.587 2.959 25852 5844 1 9 . 1 1 67 67 GLU HA H 67 3.904 3.904 4.264 -0.360 25852 5845 1 9 . 1 1 67 67 GLU CA C 67 56.870 56.870 57.179 -0.309 25852 5846 1 9 . 1 1 67 67 GLU CB C 67 26.623 26.623 30.048 -3.425 25852 5847 1 9 . 1 1 67 67 GLU H H 67 7.995 7.995 8.347 -0.352 25852 5848 1 9 . 1 1 68 68 PHE N N 68 122.032 122.032 118.649 3.383 25852 5849 1 9 . 1 1 68 68 PHE HA H 68 3.904 3.904 4.564 -0.660 25852 5850 1 9 . 1 1 68 68 PHE CA C 68 59.047 59.047 59.480 -0.433 25852 5851 1 9 . 1 1 68 68 PHE CB C 68 36.934 36.934 38.466 -1.532 25852 5852 1 9 . 1 1 68 68 PHE H H 68 8.377 8.377 7.375 1.002 25852 5853 1 9 . 1 1 69 69 LEU N N 69 118.488 118.488 120.239 -1.751 25852 5854 1 9 . 1 1 69 69 LEU HA H 69 3.179 3.179 4.027 -0.848 25852 5855 1 9 . 1 1 69 69 LEU CA C 69 55.158 55.158 58.387 -3.229 25852 5856 1 9 . 1 1 69 69 LEU CB C 69 38.195 38.195 41.190 -2.995 25852 5857 1 9 . 1 1 69 69 LEU H H 69 8.393 8.393 7.107 1.286 25852 5858 1 9 . 1 1 70 70 THR N N 70 115.208 115.208 112.800 2.408 25852 5859 1 9 . 1 1 70 70 THR HA H 70 3.638 3.638 3.884 -0.246 25852 5860 1 9 . 1 1 70 70 THR CA C 70 63.630 63.630 66.257 -2.627 25852 5861 1 9 . 1 1 70 70 THR CB C 70 65.578 65.578 68.308 -2.730 25852 5862 1 9 . 1 1 70 70 THR H H 70 7.658 7.658 8.291 -0.633 25852 5863 1 9 . 1 1 71 71 MET N N 71 121.221 121.221 118.963 2.258 25852 5864 1 9 . 1 1 71 71 MET HA H 71 3.892 3.892 4.265 -0.373 25852 5865 1 9 . 1 1 71 71 MET CA C 71 56.303 56.303 58.831 -2.528 25852 5866 1 9 . 1 1 71 71 MET CB C 71 29.831 29.831 31.941 -2.110 25852 5867 1 9 . 1 1 71 71 MET H H 71 7.653 7.653 7.464 0.189 25852 5868 1 9 . 1 1 72 72 MET N N 72 117.459 117.459 117.768 -0.309 25852 5869 1 9 . 1 1 72 72 MET HA H 72 3.892 3.892 4.407 -0.515 25852 5870 1 9 . 1 1 72 72 MET CA C 72 53.777 53.777 57.561 -3.784 25852 5871 1 9 . 1 1 72 72 MET CB C 72 29.029 29.029 32.676 -3.647 25852 5872 1 9 . 1 1 72 72 MET H H 72 7.956 7.956 7.698 0.258 25852 5873 1 9 . 1 1 73 73 ALA N N 73 120.856 120.856 121.795 -0.939 25852 5874 1 9 . 1 1 73 73 ALA HA H 73 3.868 3.868 4.157 -0.289 25852 5875 1 9 . 1 1 73 73 ALA CA C 73 52.402 52.402 54.689 -2.287 25852 5876 1 9 . 1 1 73 73 ALA CB C 73 15.280 15.280 19.047 -3.768 25852 5877 1 9 . 1 1 73 73 ALA H H 73 8.230 8.230 8.264 -0.034 25852 5878 1 9 . 1 1 74 74 ARG N N 74 116.530 116.530 115.702 0.828 25852 5879 1 9 . 1 1 74 74 ARG HA H 74 3.892 3.892 4.178 -0.286 25852 5880 1 9 . 1 1 74 74 ARG CA C 74 56.297 56.297 58.366 -2.069 25852 5881 1 9 . 1 1 74 74 ARG CB C 74 27.997 27.997 29.873 -1.876 25852 5882 1 9 . 1 1 74 74 ARG H H 74 7.409 7.409 7.949 -0.540 25852 5883 1 9 . 1 1 75 75 LYS N N 75 118.008 118.008 118.064 -0.056 25852 5884 1 9 . 1 1 75 75 LYS HA H 75 3.965 3.965 4.225 -0.260 25852 5885 1 9 . 1 1 75 75 LYS CA C 75 55.495 55.495 58.426 -2.931 25852 5886 1 9 . 1 1 75 75 LYS CB C 75 26.279 26.279 32.805 -6.526 25852 5887 1 9 . 1 1 75 75 LYS H H 75 7.657 7.657 7.625 0.032 25852 5888 1 9 . 1 1 76 76 MET N N 76 117.646 117.646 112.178 5.468 25852 5889 1 9 . 1 1 76 76 MET HA H 76 4.146 4.146 4.687 -0.541 25852 5890 1 9 . 1 1 76 76 MET CA C 76 53.947 53.947 56.717 -2.770 25852 5891 1 9 . 1 1 76 76 MET CB C 76 29.487 29.487 34.471 -4.984 25852 5892 1 9 . 1 1 76 76 MET H H 76 7.883 7.883 7.500 0.383 25852 5893 1 9 . 1 1 77 77 LYS N N 77 120.334 120.334 120.325 0.009 25852 5894 1 9 . 1 1 77 77 LYS HA H 77 3.941 3.941 4.088 -0.147 25852 5895 1 9 . 1 1 77 77 LYS CA C 77 56.526 56.526 58.685 -2.159 25852 5896 1 9 . 1 1 77 77 LYS CB C 77 27.425 27.425 32.293 -4.868 25852 5897 1 9 . 1 1 77 77 LYS H H 77 7.658 7.658 8.017 -0.359 25852 5898 1 9 . 1 1 78 78 ASP N N 78 121.733 121.733 116.110 5.623 25852 5899 1 9 . 1 1 78 78 ASP HA H 78 4.194 4.194 4.755 -0.561 25852 5900 1 9 . 1 1 78 78 ASP CA C 78 52.516 52.516 55.091 -2.575 25852 5901 1 9 . 1 1 78 78 ASP CB C 78 40.028 40.028 41.746 -1.718 25852 5902 1 9 . 1 1 78 78 ASP H H 78 8.212 8.212 8.068 0.144 25852 5903 1 9 . 1 1 79 79 THR N N 79 114.651 114.651 117.420 -2.769 25852 5904 1 9 . 1 1 79 79 THR HA H 79 4.170 4.170 4.205 -0.035 25852 5905 1 9 . 1 1 79 79 THR CA C 79 59.391 59.391 63.042 -3.651 25852 5906 1 9 . 1 1 79 79 THR CB C 79 67.067 67.067 68.634 -1.567 25852 5907 1 9 . 1 1 79 79 THR H H 79 8.048 8.048 7.875 0.173 25852 5908 1 9 . 1 1 80 80 ASP N N 80 122.484 122.484 127.992 -5.508 25852 5909 1 9 . 1 1 80 80 ASP HA H 80 4.363 4.363 4.512 -0.149 25852 5910 1 9 . 1 1 80 80 ASP CA C 80 50.850 50.850 55.463 -4.613 25852 5911 1 9 . 1 1 80 80 ASP CB C 80 36.705 36.705 41.887 -5.182 25852 5912 1 9 . 1 1 80 80 ASP H H 80 8.432 8.432 8.278 0.154 25852 5913 1 9 . 1 1 81 81 SER N N 81 117.135 117.135 115.757 1.378 25852 5914 1 9 . 1 1 81 81 SER HA H 81 4.267 4.267 4.432 -0.165 25852 5915 1 9 . 1 1 81 81 SER CA C 81 56.870 56.870 60.678 -3.808 25852 5916 1 9 . 1 1 81 81 SER CB C 81 60.884 60.884 63.236 -2.352 25852 5917 1 9 . 1 1 81 81 SER H H 81 8.403 8.403 8.583 -0.180 25852 5918 1 9 . 1 1 82 82 GLU N N 82 121.723 121.723 121.359 0.364 25852 5919 1 9 . 1 1 82 82 GLU HA H 82 3.883 3.883 4.244 -0.361 25852 5920 1 9 . 1 1 82 82 GLU CA C 82 56.707 56.707 59.148 -2.442 25852 5921 1 9 . 1 1 82 82 GLU CB C 82 29.831 29.831 29.105 0.727 25852 5922 1 9 . 1 1 82 82 GLU H H 82 8.443 8.443 8.331 0.112 25852 5923 1 9 . 1 1 83 83 GLU N N 83 119.259 119.259 118.171 1.088 25852 5924 1 9 . 1 1 83 83 GLU HA H 83 3.883 3.883 4.149 -0.266 25852 5925 1 9 . 1 1 83 83 GLU CA C 83 56.606 56.606 58.672 -2.066 25852 5926 1 9 . 1 1 83 83 GLU CB C 83 29.364 29.364 29.273 0.091 25852 5927 1 9 . 1 1 83 83 GLU H H 83 8.118 8.118 8.671 -0.553 25852 5928 1 9 . 1 1 84 84 GLU N N 84 118.060 118.060 118.119 -0.059 25852 5929 1 9 . 1 1 84 84 GLU HA H 84 3.871 3.871 4.535 -0.664 25852 5930 1 9 . 1 1 84 84 GLU CA C 84 56.606 56.606 58.574 -1.968 25852 5931 1 9 . 1 1 84 84 GLU CB C 84 25.817 25.817 29.581 -3.764 25852 5932 1 9 . 1 1 84 84 GLU H H 84 8.212 8.212 7.638 0.574 25852 5933 1 9 . 1 1 85 85 ILE N N 85 120.736 120.736 118.606 2.130 25852 5934 1 9 . 1 1 85 85 ILE HA H 85 3.678 3.678 4.035 -0.357 25852 5935 1 9 . 1 1 85 85 ILE CA C 85 62.484 62.484 64.814 -2.330 25852 5936 1 9 . 1 1 85 85 ILE CB C 85 35.445 35.445 38.461 -3.016 25852 5937 1 9 . 1 1 85 85 ILE H H 85 7.964 7.964 7.401 0.563 25852 5938 1 9 . 1 1 86 86 ARG N N 86 121.452 121.452 119.493 1.959 25852 5939 1 9 . 1 1 86 86 ARG HA H 86 3.989 3.989 4.272 -0.283 25852 5940 1 9 . 1 1 86 86 ARG CA C 86 56.985 56.985 59.154 -2.169 25852 5941 1 9 . 1 1 86 86 ARG CB C 86 26.856 26.856 29.748 -2.892 25852 5942 1 9 . 1 1 86 86 ARG H H 86 8.351 8.351 7.919 0.432 25852 5943 1 9 . 1 1 87 87 GLU N N 87 118.288 118.288 118.924 -0.636 25852 5944 1 9 . 1 1 87 87 GLU HA H 87 3.861 3.861 4.345 -0.484 25852 5945 1 9 . 1 1 87 87 GLU CA C 87 56.606 56.606 58.609 -2.003 25852 5946 1 9 . 1 1 87 87 GLU CB C 87 25.817 25.817 29.411 -3.594 25852 5947 1 9 . 1 1 87 87 GLU H H 87 8.238 8.238 7.964 0.274 25852 5948 1 9 . 1 1 88 88 ALA N N 88 120.408 120.408 122.184 -1.776 25852 5949 1 9 . 1 1 88 88 ALA HA H 88 4.013 4.013 4.198 -0.185 25852 5950 1 9 . 1 1 88 88 ALA CA C 88 52.263 52.263 54.831 -2.567 25852 5951 1 9 . 1 1 88 88 ALA CB C 88 15.080 15.080 18.276 -3.196 25852 5952 1 9 . 1 1 88 88 ALA H H 88 7.960 7.960 8.357 -0.397 25852 5953 1 9 . 1 1 89 89 PHE N N 89 118.123 118.123 117.512 0.611 25852 5954 1 9 . 1 1 89 89 PHE HA H 89 3.058 3.058 4.431 -1.373 25852 5955 1 9 . 1 1 89 89 PHE CA C 89 59.703 59.703 59.211 0.492 25852 5956 1 9 . 1 1 89 89 PHE CB C 89 36.774 36.774 39.172 -2.398 25852 5957 1 9 . 1 1 89 89 PHE H H 89 8.498 8.498 7.457 1.041 25852 5958 1 9 . 1 1 90 90 ARG N N 90 116.002 116.002 119.026 -3.024 25852 5959 1 9 . 1 1 90 90 ARG HA H 90 3.892 3.892 3.784 0.108 25852 5960 1 9 . 1 1 90 90 ARG CA C 90 56.168 56.168 57.309 -1.141 25852 5961 1 9 . 1 1 90 90 ARG CB C 90 27.654 27.654 30.202 -2.548 25852 5962 1 9 . 1 1 90 90 ARG H H 90 7.860 7.860 7.516 0.344 25852 5963 1 9 . 1 1 91 91 VAL N N 91 118.008 118.008 118.001 0.007 25852 5964 1 9 . 1 1 91 91 VAL HA H 91 3.243 3.243 3.890 -0.647 25852 5965 1 9 . 1 1 91 91 VAL CA C 91 63.357 63.357 64.714 -1.357 25852 5966 1 9 . 1 1 91 91 VAL CB C 91 28.444 28.444 32.295 -3.851 25852 5967 1 9 . 1 1 91 91 VAL H H 91 7.300 7.300 7.702 -0.402 25852 5968 1 9 . 1 1 92 92 PHE N N 92 113.024 113.024 115.532 -2.508 25852 5969 1 9 . 1 1 92 92 PHE HA H 92 3.967 3.967 4.345 -0.378 25852 5970 1 9 . 1 1 92 92 PHE CA C 92 57.558 57.558 59.297 -1.739 25852 5971 1 9 . 1 1 92 92 PHE CB C 92 38.838 38.838 40.654 -1.816 25852 5972 1 9 . 1 1 92 92 PHE H H 92 6.805 6.805 8.001 -1.196 25852 5973 1 9 . 1 1 93 93 ASP N N 93 116.393 116.393 120.016 -3.623 25852 5974 1 9 . 1 1 93 93 ASP HA H 93 4.496 4.496 4.574 -0.078 25852 5975 1 9 . 1 1 93 93 ASP CA C 93 49.525 49.525 55.183 -5.658 25852 5976 1 9 . 1 1 93 93 ASP CB C 93 35.788 35.788 40.501 -4.713 25852 5977 1 9 . 1 1 93 93 ASP H H 93 8.018 8.018 7.577 0.441 25852 5978 1 9 . 1 1 94 94 LYS N N 94 125.158 125.158 125.050 0.108 25852 5979 1 9 . 1 1 94 94 LYS HA H 94 3.892 3.892 4.157 -0.265 25852 5980 1 9 . 1 1 94 94 LYS CA C 94 56.183 56.183 57.681 -1.498 25852 5981 1 9 . 1 1 94 94 LYS CB C 94 29.945 29.945 32.761 -2.816 25852 5982 1 9 . 1 1 94 94 LYS H H 94 7.721 7.721 8.570 -0.849 25852 5983 1 9 . 1 1 95 95 ASP N N 95 113.893 113.893 118.116 -4.223 25852 5984 1 9 . 1 1 95 95 ASP HA H 95 4.415 4.415 4.480 -0.065 25852 5985 1 9 . 1 1 95 95 ASP CA C 95 50.683 50.683 54.705 -4.022 25852 5986 1 9 . 1 1 95 95 ASP CB C 95 36.774 36.774 41.063 -4.289 25852 5987 1 9 . 1 1 95 95 ASP H H 95 8.156 8.156 8.370 -0.214 25852 5988 1 9 . 1 1 96 96 GLY N N 96 108.799 108.799 106.755 2.044 25852 5989 1 9 . 1 1 96 96 GLY CA C 96 44.344 44.344 46.305 -1.961 25852 5990 1 9 . 1 1 96 96 GLY H H 96 7.717 7.717 8.458 -0.741 25852 5991 1 9 . 1 1 97 97 ASN N N 97 119.381 119.381 118.251 1.130 25852 5992 1 9 . 1 1 97 97 ASN HA H 97 4.500 4.500 4.797 -0.297 25852 5993 1 9 . 1 1 97 97 ASN CA C 97 49.916 49.916 53.031 -3.115 25852 5994 1 9 . 1 1 97 97 ASN CB C 97 35.183 35.183 39.173 -3.990 25852 5995 1 9 . 1 1 97 97 ASN H H 97 8.312 8.312 8.319 -0.007 25852 5996 1 9 . 1 1 98 98 GLY N N 98 112.330 112.330 107.426 4.904 25852 5997 1 9 . 1 1 98 98 GLY CA C 98 42.434 42.434 45.347 -2.913 25852 5998 1 9 . 1 1 98 98 GLY H H 98 10.555 10.555 8.040 2.515 25852 5999 1 9 . 1 1 99 99 TYR N N 99 116.075 116.075 119.461 -3.386 25852 6000 1 9 . 1 1 99 99 TYR HA H 99 4.871 4.871 4.826 0.045 25852 6001 1 9 . 1 1 99 99 TYR CA C 99 53.582 53.582 55.992 -2.409 25852 6002 1 9 . 1 1 99 99 TYR CB C 99 39.981 39.981 39.222 0.759 25852 6003 1 9 . 1 1 99 99 TYR H H 99 7.650 7.650 7.559 0.091 25852 6004 1 9 . 1 1 100 100 ILE N N 100 126.834 126.834 126.089 0.745 25852 6005 1 9 . 1 1 100 100 ILE HA H 100 4.493 4.493 4.254 0.239 25852 6006 1 9 . 1 1 100 100 ILE CA C 100 58.616 58.616 61.578 -2.962 25852 6007 1 9 . 1 1 100 100 ILE CB C 100 35.903 35.903 36.397 -0.494 25852 6008 1 9 . 1 1 100 100 ILE H H 100 10.037 10.037 8.169 1.868 25852 6009 1 9 . 1 1 101 101 SER N N 101 123.486 123.486 121.630 1.856 25852 6010 1 9 . 1 1 101 101 SER HA H 101 4.738 4.738 4.378 0.360 25852 6011 1 9 . 1 1 101 101 SER CA C 101 52.897 52.897 58.241 -5.344 25852 6012 1 9 . 1 1 101 101 SER CB C 101 64.134 64.134 65.006 -0.872 25852 6013 1 9 . 1 1 101 101 SER H H 101 8.904 8.904 8.702 0.202 25852 6014 1 9 . 1 1 102 102 ALA N N 102 122.796 122.796 125.537 -2.741 25852 6015 1 9 . 1 1 102 102 ALA HA H 102 3.747 3.747 4.084 -0.337 25852 6016 1 9 . 1 1 102 102 ALA CA C 102 53.093 53.093 54.860 -1.767 25852 6017 1 9 . 1 1 102 102 ALA CB C 102 15.114 15.114 18.588 -3.474 25852 6018 1 9 . 1 1 102 102 ALA H H 102 9.246 9.246 9.168 0.078 25852 6019 1 9 . 1 1 103 103 ALA N N 103 118.362 118.362 119.919 -1.557 25852 6020 1 9 . 1 1 103 103 ALA HA H 103 3.861 3.861 4.218 -0.357 25852 6021 1 9 . 1 1 103 103 ALA CA C 103 52.409 52.409 54.130 -1.721 25852 6022 1 9 . 1 1 103 103 ALA CB C 103 15.456 15.456 19.063 -3.607 25852 6023 1 9 . 1 1 103 103 ALA H H 103 8.214 8.214 8.446 -0.232 25852 6024 1 9 . 1 1 104 104 GLU N N 104 120.187 120.187 120.481 -0.294 25852 6025 1 9 . 1 1 104 104 GLU HA H 104 3.904 3.904 4.108 -0.204 25852 6026 1 9 . 1 1 104 104 GLU CA C 104 56.563 56.563 58.914 -2.351 25852 6027 1 9 . 1 1 104 104 GLU CB C 104 26.400 26.400 29.747 -3.347 25852 6028 1 9 . 1 1 104 104 GLU H H 104 7.864 7.864 7.833 0.031 25852 6029 1 9 . 1 1 105 105 LEU N N 105 121.050 121.050 120.556 0.494 25852 6030 1 9 . 1 1 105 105 LEU HA H 105 3.892 3.892 4.162 -0.270 25852 6031 1 9 . 1 1 105 105 LEU CA C 105 55.732 55.732 58.273 -2.541 25852 6032 1 9 . 1 1 105 105 LEU CB C 105 39.340 39.340 42.230 -2.890 25852 6033 1 9 . 1 1 105 105 LEU H H 105 8.341 8.341 8.646 -0.305 25852 6034 1 9 . 1 1 106 106 ARG N N 106 118.494 118.494 119.311 -0.817 25852 6035 1 9 . 1 1 106 106 ARG HA H 106 3.904 3.904 4.057 -0.153 25852 6036 1 9 . 1 1 106 106 ARG CA C 106 55.724 55.724 58.738 -3.014 25852 6037 1 9 . 1 1 106 106 ARG CB C 106 29.945 29.945 29.166 0.779 25852 6038 1 9 . 1 1 106 106 ARG H H 106 8.852 8.852 7.732 1.120 25852 6039 1 9 . 1 1 107 107 HIS N N 107 118.921 118.921 119.208 -0.287 25852 6040 1 9 . 1 1 107 107 HIS HA H 107 3.876 3.876 4.384 -0.508 25852 6041 1 9 . 1 1 107 107 HIS CA C 107 56.807 56.807 59.398 -2.591 25852 6042 1 9 . 1 1 107 107 HIS CB C 107 27.198 27.198 29.812 -2.614 25852 6043 1 9 . 1 1 107 107 HIS H H 107 8.045 8.045 8.546 -0.501 25852 6044 1 9 . 1 1 108 108 VAL N N 108 118.991 118.991 120.626 -1.635 25852 6045 1 9 . 1 1 108 108 VAL HA H 108 3.385 3.385 3.488 -0.103 25852 6046 1 9 . 1 1 108 108 VAL CA C 108 64.285 64.285 66.547 -2.262 25852 6047 1 9 . 1 1 108 108 VAL CB C 108 28.908 28.908 31.048 -2.140 25852 6048 1 9 . 1 1 108 108 VAL H H 108 7.766 7.766 8.534 -0.768 25852 6049 1 9 . 1 1 109 109 MET N N 109 115.789 115.789 119.188 -3.399 25852 6050 1 9 . 1 1 109 109 MET HA H 109 4.139 4.139 3.972 0.167 25852 6051 1 9 . 1 1 109 109 MET CA C 109 54.461 54.461 59.962 -5.502 25852 6052 1 9 . 1 1 109 109 MET CB C 109 29.706 29.706 32.430 -2.724 25852 6053 1 9 . 1 1 109 109 MET H H 109 8.333 8.333 8.540 -0.207 25852 6054 1 9 . 1 1 110 110 THR N N 110 116.700 116.700 113.416 3.284 25852 6055 1 9 . 1 1 110 110 THR HA H 110 3.935 3.935 4.105 -0.170 25852 6056 1 9 . 1 1 110 110 THR CA C 110 63.845 63.845 65.163 -1.318 25852 6057 1 9 . 1 1 110 110 THR CB C 110 66.072 66.072 68.384 -2.312 25852 6058 1 9 . 1 1 110 110 THR H H 110 8.603 8.603 8.371 0.232 25852 6059 1 9 . 1 1 111 111 ASN N N 111 123.354 123.354 119.077 4.277 25852 6060 1 9 . 1 1 111 111 ASN HA H 111 4.242 4.242 4.555 -0.313 25852 6061 1 9 . 1 1 111 111 ASN CA C 111 53.093 53.093 55.370 -2.277 25852 6062 1 9 . 1 1 111 111 ASN CB C 111 35.292 35.292 38.759 -3.467 25852 6063 1 9 . 1 1 111 111 ASN H H 111 7.991 7.991 7.341 0.650 25852 6064 1 9 . 1 1 112 112 LEU N N 112 118.291 118.291 117.533 0.758 25852 6065 1 9 . 1 1 112 112 LEU HA H 112 4.182 4.182 4.249 -0.067 25852 6066 1 9 . 1 1 112 112 LEU CA C 112 52.653 52.653 56.109 -3.456 25852 6067 1 9 . 1 1 112 112 LEU CB C 112 39.738 39.738 42.745 -3.007 25852 6068 1 9 . 1 1 112 112 LEU H H 112 7.754 7.754 7.954 -0.200 25852 6069 1 9 . 1 1 113 113 GLY N N 113 106.894 106.894 104.618 2.276 25852 6070 1 9 . 1 1 113 113 GLY CA C 113 42.536 42.536 44.886 -2.350 25852 6071 1 9 . 1 1 113 113 GLY H H 113 7.778 7.778 8.315 -0.537 25852 6072 1 9 . 1 1 114 114 GLU N N 114 119.776 119.776 120.949 -1.173 25852 6073 1 9 . 1 1 114 114 GLU HA H 114 4.267 4.267 4.495 -0.228 25852 6074 1 9 . 1 1 114 114 GLU CA C 114 52.067 52.067 55.038 -2.971 25852 6075 1 9 . 1 1 114 114 GLU CB C 114 26.616 26.616 32.427 -5.811 25852 6076 1 9 . 1 1 114 114 GLU H H 114 7.957 7.957 8.472 -0.515 25852 6077 1 9 . 1 1 115 115 LYS N N 115 124.429 124.429 121.234 3.195 25852 6078 1 9 . 1 1 115 115 LYS HA H 115 4.255 4.255 4.487 -0.233 25852 6079 1 9 . 1 1 115 115 LYS CA C 115 52.848 52.848 55.440 -2.592 25852 6080 1 9 . 1 1 115 115 LYS CB C 115 30.518 30.518 33.699 -3.181 25852 6081 1 9 . 1 1 115 115 LYS H H 115 8.591 8.591 8.380 0.211 25852 6082 1 9 . 1 1 116 116 LEU N N 116 124.724 124.724 125.708 -0.984 25852 6083 1 9 . 1 1 116 116 LEU HA H 116 4.690 4.690 4.861 -0.171 25852 6084 1 9 . 1 1 116 116 LEU CA C 116 51.089 51.089 54.117 -3.028 25852 6085 1 9 . 1 1 116 116 LEU CB C 116 42.588 42.588 45.019 -2.431 25852 6086 1 9 . 1 1 116 116 LEU H H 116 8.066 8.066 8.446 -0.380 25852 6087 1 9 . 1 1 117 117 THR N N 117 113.912 113.912 118.062 -4.150 25852 6088 1 9 . 1 1 117 117 THR HA H 117 4.302 4.302 4.317 -0.015 25852 6089 1 9 . 1 1 117 117 THR CA C 117 57.834 57.834 61.523 -3.688 25852 6090 1 9 . 1 1 117 117 THR CB C 117 68.580 68.580 70.866 -2.286 25852 6091 1 9 . 1 1 117 117 THR H H 117 9.165 9.165 8.889 0.276 25852 6092 1 9 . 1 1 118 118 ASP N N 118 120.787 120.787 119.751 1.036 25852 6093 1 9 . 1 1 118 118 ASP HA H 118 4.061 4.061 4.438 -0.377 25852 6094 1 9 . 1 1 118 118 ASP CA C 118 55.243 55.243 57.600 -2.357 25852 6095 1 9 . 1 1 118 118 ASP CB C 118 37.002 37.002 41.010 -4.008 25852 6096 1 9 . 1 1 118 118 ASP H H 118 8.860 8.860 8.729 0.131 25852 6097 1 9 . 1 1 119 119 GLU N N 119 119.091 119.091 117.156 1.935 25852 6098 1 9 . 1 1 119 119 GLU HA H 119 3.892 3.892 4.458 -0.566 25852 6099 1 9 . 1 1 119 119 GLU CA C 119 57.149 57.149 57.246 -0.097 25852 6100 1 9 . 1 1 119 119 GLU CB C 119 25.931 25.931 29.413 -3.482 25852 6101 1 9 . 1 1 119 119 GLU H H 119 8.618 8.618 8.647 -0.029 25852 6102 1 9 . 1 1 120 120 GLU N N 120 120.037 120.037 117.812 2.225 25852 6103 1 9 . 1 1 120 120 GLU HA H 120 3.880 3.880 4.211 -0.331 25852 6104 1 9 . 1 1 120 120 GLU CA C 120 56.319 56.319 57.820 -1.501 25852 6105 1 9 . 1 1 120 120 GLU CB C 120 25.830 25.830 29.805 -3.975 25852 6106 1 9 . 1 1 120 120 GLU H H 120 7.659 7.659 8.545 -0.886 25852 6107 1 9 . 1 1 121 121 VAL N N 121 122.512 122.512 114.347 8.165 25852 6108 1 9 . 1 1 121 121 VAL HA H 121 3.385 3.385 4.018 -0.633 25852 6109 1 9 . 1 1 121 121 VAL CA C 121 64.090 64.090 63.790 0.300 25852 6110 1 9 . 1 1 121 121 VAL CB C 121 28.680 28.680 32.068 -3.388 25852 6111 1 9 . 1 1 121 121 VAL H H 121 7.887 7.887 7.202 0.685 25852 6112 1 9 . 1 1 122 122 ASP N N 122 119.993 119.993 120.927 -0.934 25852 6113 1 9 . 1 1 122 122 ASP HA H 122 4.157 4.157 4.535 -0.378 25852 6114 1 9 . 1 1 122 122 ASP CA C 122 54.901 54.901 56.089 -1.188 25852 6115 1 9 . 1 1 122 122 ASP CB C 122 37.572 37.572 39.546 -1.974 25852 6116 1 9 . 1 1 122 122 ASP H H 122 7.973 7.973 8.607 -0.634 25852 6117 1 9 . 1 1 123 123 GLU N N 123 119.521 119.521 114.989 4.532 25852 6118 1 9 . 1 1 123 123 GLU HA H 123 3.880 3.880 4.481 -0.601 25852 6119 1 9 . 1 1 123 123 GLU CA C 123 56.612 56.612 56.453 0.159 25852 6120 1 9 . 1 1 123 123 GLU CB C 123 26.172 26.172 31.072 -4.900 25852 6121 1 9 . 1 1 123 123 GLU H H 123 7.903 7.903 8.135 -0.232 25852 6122 1 9 . 1 1 124 124 MET N N 124 118.961 118.961 120.065 -1.104 25852 6123 1 9 . 1 1 124 124 MET HA H 124 3.892 3.892 4.487 -0.595 25852 6124 1 9 . 1 1 124 124 MET CA C 124 56.905 56.905 56.711 0.194 25852 6125 1 9 . 1 1 124 124 MET CB C 124 29.250 29.250 33.584 -4.334 25852 6126 1 9 . 1 1 124 124 MET H H 124 7.496 7.496 7.809 -0.313 25852 6127 1 9 . 1 1 125 125 ILE N N 125 117.801 117.801 119.100 -1.299 25852 6128 1 9 . 1 1 125 125 ILE HA H 125 3.409 3.409 3.846 -0.437 25852 6129 1 9 . 1 1 125 125 ILE CA C 125 60.131 60.131 64.409 -4.278 25852 6130 1 9 . 1 1 125 125 ILE CB C 125 33.240 33.240 37.785 -4.545 25852 6131 1 9 . 1 1 125 125 ILE H H 125 7.762 7.762 7.752 0.010 25852 6132 1 9 . 1 1 126 126 ARG N N 126 117.729 117.729 117.931 -0.202 25852 6133 1 9 . 1 1 126 126 ARG HA H 126 3.883 3.883 4.051 -0.168 25852 6134 1 9 . 1 1 126 126 ARG CA C 126 56.673 56.673 59.223 -2.550 25852 6135 1 9 . 1 1 126 126 ARG CB C 126 29.478 29.478 29.962 -0.484 25852 6136 1 9 . 1 1 126 126 ARG H H 126 8.055 8.055 8.616 -0.561 25852 6137 1 9 . 1 1 127 127 GLU N N 127 117.539 117.539 116.900 0.639 25852 6138 1 9 . 1 1 127 127 GLU HA H 127 3.861 3.861 4.195 -0.334 25852 6139 1 9 . 1 1 127 127 GLU CA C 127 56.319 56.319 58.065 -1.746 25852 6140 1 9 . 1 1 127 127 GLU CB C 127 26.286 26.286 29.387 -3.101 25852 6141 1 9 . 1 1 127 127 GLU H H 127 7.700 7.700 8.138 -0.438 25852 6142 1 9 . 1 1 128 128 ALA N N 128 116.677 116.677 120.410 -3.733 25852 6143 1 9 . 1 1 128 128 ALA HA H 128 4.500 4.500 4.366 0.134 25852 6144 1 9 . 1 1 128 128 ALA CA C 128 48.205 48.205 52.163 -3.958 25852 6145 1 9 . 1 1 128 128 ALA CB C 128 19.633 19.633 20.545 -0.912 25852 6146 1 9 . 1 1 128 128 ALA H H 128 7.223 7.223 7.338 -0.115 25852 6147 1 9 . 1 1 129 129 ASP N N 129 118.030 118.030 119.371 -1.341 25852 6148 1 9 . 1 1 129 129 ASP HA H 129 4.460 4.460 4.784 -0.324 25852 6149 1 9 . 1 1 129 129 ASP CA C 129 51.485 51.485 55.962 -4.477 25852 6150 1 9 . 1 1 129 129 ASP CB C 129 38.195 38.195 40.629 -2.434 25852 6151 1 9 . 1 1 129 129 ASP H H 129 7.895 7.895 8.104 -0.209 25852 6152 1 9 . 1 1 130 130 ILE N N 130 127.693 127.693 126.489 1.204 25852 6153 1 9 . 1 1 130 130 ILE HA H 130 3.797 3.797 3.993 -0.196 25852 6154 1 9 . 1 1 130 130 ILE CA C 130 60.522 60.522 63.418 -2.896 25852 6155 1 9 . 1 1 130 130 ILE CB C 130 36.090 36.090 38.637 -2.547 25852 6156 1 9 . 1 1 130 130 ILE H H 130 8.148 8.148 9.031 -0.883 25852 6157 1 9 . 1 1 131 131 ASP N N 131 116.409 116.409 119.823 -3.414 25852 6158 1 9 . 1 1 131 131 ASP HA H 131 4.376 4.376 4.668 -0.292 25852 6159 1 9 . 1 1 131 131 ASP CA C 131 51.187 51.187 54.385 -3.198 25852 6160 1 9 . 1 1 131 131 ASP CB C 131 37.468 37.468 41.971 -4.503 25852 6161 1 9 . 1 1 131 131 ASP H H 131 8.288 8.288 8.040 0.248 25852 6162 1 9 . 1 1 132 132 GLY N N 132 108.363 108.363 108.066 0.297 25852 6163 1 9 . 1 1 132 132 GLY CA C 132 44.638 44.638 45.344 -0.706 25852 6164 1 9 . 1 1 132 132 GLY H H 132 7.630 7.630 8.350 -0.720 25852 6165 1 9 . 1 1 133 133 ASP N N 133 120.183 120.183 120.462 -0.279 25852 6166 1 9 . 1 1 133 133 ASP HA H 133 4.329 4.329 4.458 -0.129 25852 6167 1 9 . 1 1 133 133 ASP CA C 133 50.942 50.942 53.603 -2.661 25852 6168 1 9 . 1 1 133 133 ASP CB C 133 37.458 37.458 41.005 -3.547 25852 6169 1 9 . 1 1 133 133 ASP H H 133 8.298 8.298 8.169 0.129 25852 6170 1 9 . 1 1 134 134 GLY N N 134 112.149 112.149 108.017 4.132 25852 6171 1 9 . 1 1 134 134 GLY CA C 134 43.122 43.122 45.712 -2.590 25852 6172 1 9 . 1 1 134 134 GLY H H 134 10.079 10.079 8.877 1.202 25852 6173 1 9 . 1 1 135 135 GLN N N 135 115.069 115.069 118.879 -3.810 25852 6174 1 9 . 1 1 135 135 GLN HA H 135 4.844 4.844 4.516 0.328 25852 6175 1 9 . 1 1 135 135 GLN CA C 135 50.454 50.454 55.908 -5.454 25852 6176 1 9 . 1 1 135 135 GLN CB C 135 30.614 30.614 32.576 -1.962 25852 6177 1 9 . 1 1 135 135 GLN H H 135 7.922 7.922 8.177 -0.255 25852 6178 1 9 . 1 1 136 136 VAL N N 136 125.107 125.107 117.870 7.237 25852 6179 1 9 . 1 1 136 136 VAL HA H 136 5.096 5.096 4.089 1.007 25852 6180 1 9 . 1 1 136 136 VAL CA C 136 58.713 58.713 62.299 -3.586 25852 6181 1 9 . 1 1 136 136 VAL CB C 136 31.416 31.416 32.355 -0.939 25852 6182 1 9 . 1 1 136 136 VAL H H 136 9.046 9.046 8.825 0.221 25852 6183 1 9 . 1 1 137 137 ASN N N 137 128.858 128.858 123.405 5.453 25852 6184 1 9 . 1 1 137 137 ASN HA H 137 5.226 5.226 5.016 0.210 25852 6185 1 9 . 1 1 137 137 ASN CA C 137 48.352 48.352 51.944 -3.592 25852 6186 1 9 . 1 1 137 137 ASN CB C 137 35.640 35.640 40.080 -4.440 25852 6187 1 9 . 1 1 137 137 ASN H H 137 9.458 9.458 8.853 0.605 25852 6188 1 9 . 1 1 138 138 TYR N N 138 118.481 118.481 120.639 -2.158 25852 6189 1 9 . 1 1 138 138 TYR HA H 138 3.603 3.603 4.301 -0.698 25852 6190 1 9 . 1 1 138 138 TYR CA C 138 59.669 59.669 63.124 -3.455 25852 6191 1 9 . 1 1 138 138 TYR CB C 138 37.572 37.572 38.214 -0.642 25852 6192 1 9 . 1 1 138 138 TYR H H 138 8.235 8.235 8.937 -0.702 25852 6193 1 9 . 1 1 139 139 GLU N N 139 118.474 118.474 118.455 0.019 25852 6194 1 9 . 1 1 139 139 GLU HA H 139 3.868 3.868 4.070 -0.202 25852 6195 1 9 . 1 1 139 139 GLU CA C 139 57.540 57.540 59.339 -1.799 25852 6196 1 9 . 1 1 139 139 GLU CB C 139 26.274 26.274 28.849 -2.575 25852 6197 1 9 . 1 1 139 139 GLU H H 139 8.067 8.067 9.010 -0.943 25852 6198 1 9 . 1 1 140 140 GLU N N 140 119.279 119.279 118.935 0.344 25852 6199 1 9 . 1 1 140 140 GLU HA H 140 3.880 3.880 4.255 -0.375 25852 6200 1 9 . 1 1 140 140 GLU CA C 140 56.025 56.025 58.413 -2.388 25852 6201 1 9 . 1 1 140 140 GLU CB C 140 26.274 26.274 29.790 -3.516 25852 6202 1 9 . 1 1 140 140 GLU H H 140 8.742 8.742 8.557 0.185 25852 6203 1 9 . 1 1 141 141 PHE N N 141 124.141 124.141 119.486 4.655 25852 6204 1 9 . 1 1 141 141 PHE HA H 141 3.602 3.602 4.196 -0.594 25852 6205 1 9 . 1 1 141 141 PHE CA C 141 59.447 59.447 60.362 -0.915 25852 6206 1 9 . 1 1 141 141 PHE CB C 141 37.686 37.686 39.276 -1.590 25852 6207 1 9 . 1 1 141 141 PHE H H 141 8.593 8.593 7.845 0.748 25852 6208 1 9 . 1 1 142 142 VAL N N 142 118.383 118.383 117.706 0.677 25852 6209 1 9 . 1 1 142 142 VAL HA H 142 2.986 2.986 3.712 -0.726 25852 6210 1 9 . 1 1 142 142 VAL CA C 142 64.432 64.432 65.595 -1.163 25852 6211 1 9 . 1 1 142 142 VAL CB C 142 28.908 28.908 32.017 -3.109 25852 6212 1 9 . 1 1 142 142 VAL H H 142 8.776 8.776 7.952 0.824 25852 6213 1 9 . 1 1 143 143 GLN N N 143 119.891 119.891 120.437 -0.546 25852 6214 1 9 . 1 1 143 143 GLN HA H 143 3.671 3.671 4.010 -0.339 25852 6215 1 9 . 1 1 143 143 GLN CA C 143 56.514 56.514 58.837 -2.323 25852 6216 1 9 . 1 1 143 143 GLN CB C 143 25.246 25.246 28.250 -3.004 25852 6217 1 9 . 1 1 143 143 GLN H H 143 7.787 7.787 7.885 -0.098 25852 6218 1 9 . 1 1 144 144 MET N N 144 118.429 118.429 116.322 2.107 25852 6219 1 9 . 1 1 144 144 MET HA H 144 3.892 3.892 4.169 -0.277 25852 6220 1 9 . 1 1 144 144 MET CA C 144 55.683 55.683 57.960 -2.277 25852 6221 1 9 . 1 1 144 144 MET CB C 144 28.110 28.110 31.189 -3.079 25852 6222 1 9 . 1 1 144 144 MET H H 144 7.450 7.450 7.998 -0.548 25852 6223 1 9 . 1 1 145 145 MET N N 145 114.145 114.145 116.815 -2.670 25852 6224 1 9 . 1 1 145 145 MET HA H 145 3.905 3.905 4.557 -0.652 25852 6225 1 9 . 1 1 145 145 MET CA C 145 53.630 53.630 57.674 -4.044 25852 6226 1 9 . 1 1 145 145 MET CB C 145 29.592 29.592 32.973 -3.381 25852 6227 1 9 . 1 1 145 145 MET H H 145 7.724 7.724 8.317 -0.593 25852 6228 1 9 . 1 1 146 146 THR N N 146 108.482 108.482 112.394 -3.912 25852 6229 1 9 . 1 1 146 146 THR HA H 146 4.170 4.170 4.413 -0.243 25852 6230 1 9 . 1 1 146 146 THR CA C 146 59.251 59.251 62.446 -3.195 25852 6231 1 9 . 1 1 146 146 THR CB C 146 67.896 67.896 70.153 -2.257 25852 6232 1 9 . 1 1 146 146 THR H H 146 7.700 7.700 7.674 0.026 25852 6233 1 9 . 1 1 147 147 ALA N N 147 126.469 126.469 126.441 0.028 25852 6234 1 9 . 1 1 147 147 ALA HA H 147 4.095 4.095 4.063 0.032 25852 6235 1 9 . 1 1 147 147 ALA CA C 147 50.307 50.307 54.048 -3.741 25852 6236 1 9 . 1 1 147 147 ALA CB C 147 16.336 16.336 19.204 -2.868 25852 6237 1 9 . 1 1 147 147 ALA H H 147 7.291 7.291 8.818 -1.527 25852 6238 1 10 . 1 1 3 3 GLN N N 3 118.120 118.120 121.643 -3.523 25852 6239 1 10 . 1 1 3 3 GLN HA H 3 4.688 4.688 4.391 0.297 25852 6240 1 10 . 1 1 3 3 GLN CA C 3 53.500 53.500 55.178 -1.678 25852 6241 1 10 . 1 1 3 3 GLN CB C 3 29.475 29.475 31.354 -1.879 25852 6242 1 10 . 1 1 3 3 GLN H H 3 8.134 8.134 8.308 -0.174 25852 6243 1 10 . 1 1 4 4 LEU N N 4 121.407 121.407 120.945 0.462 25852 6244 1 10 . 1 1 4 4 LEU HA H 4 4.460 4.460 4.724 -0.264 25852 6245 1 10 . 1 1 4 4 LEU CA C 4 51.650 51.650 54.473 -2.823 25852 6246 1 10 . 1 1 4 4 LEU CB C 4 40.715 40.715 41.664 -0.950 25852 6247 1 10 . 1 1 4 4 LEU H H 4 8.202 8.202 8.298 -0.096 25852 6248 1 10 . 1 1 5 5 THR N N 5 112.733 112.733 110.136 2.597 25852 6249 1 10 . 1 1 5 5 THR HA H 5 4.265 4.265 4.472 -0.207 25852 6250 1 10 . 1 1 5 5 THR CA C 5 59.433 59.433 60.370 -0.937 25852 6251 1 10 . 1 1 5 5 THR CB C 5 67.475 67.475 70.170 -2.695 25852 6252 1 10 . 1 1 5 5 THR H H 5 8.691 8.691 7.758 0.933 25852 6253 1 10 . 1 1 6 6 GLU N N 6 119.971 119.971 119.992 -0.021 25852 6254 1 10 . 1 1 6 6 GLU HA H 6 3.854 3.854 3.915 -0.061 25852 6255 1 10 . 1 1 6 6 GLU CA C 6 56.756 56.756 59.731 -2.975 25852 6256 1 10 . 1 1 6 6 GLU CB C 6 26.508 26.508 29.358 -2.850 25852 6257 1 10 . 1 1 6 6 GLU H H 6 8.953 8.953 8.848 0.105 25852 6258 1 10 . 1 1 7 7 GLU N N 7 119.133 119.133 117.760 1.373 25852 6259 1 10 . 1 1 7 7 GLU HA H 7 3.898 3.898 3.981 -0.083 25852 6260 1 10 . 1 1 7 7 GLU CA C 7 56.756 56.756 58.803 -2.047 25852 6261 1 10 . 1 1 7 7 GLU CB C 7 26.279 26.279 28.801 -2.522 25852 6262 1 10 . 1 1 7 7 GLU H H 7 8.653 8.653 8.407 0.246 25852 6263 1 10 . 1 1 8 8 GLN N N 8 120.207 120.207 119.284 0.923 25852 6264 1 10 . 1 1 8 8 GLN HA H 8 3.957 3.957 4.174 -0.217 25852 6265 1 10 . 1 1 8 8 GLN CA C 8 57.099 57.099 58.647 -1.548 25852 6266 1 10 . 1 1 8 8 GLN CB C 8 26.737 26.737 28.709 -1.972 25852 6267 1 10 . 1 1 8 8 GLN H H 8 7.645 7.645 7.716 -0.071 25852 6268 1 10 . 1 1 9 9 ILE N N 9 118.171 118.171 119.840 -1.669 25852 6269 1 10 . 1 1 9 9 ILE HA H 9 3.354 3.354 3.324 0.030 25852 6270 1 10 . 1 1 9 9 ILE CA C 9 62.714 62.714 62.602 0.112 25852 6271 1 10 . 1 1 9 9 ILE CB C 9 35.216 35.216 36.499 -1.284 25852 6272 1 10 . 1 1 9 9 ILE H H 9 8.153 8.153 7.358 0.795 25852 6273 1 10 . 1 1 10 10 ALA N N 10 120.124 120.124 120.506 -0.382 25852 6274 1 10 . 1 1 10 10 ALA HA H 10 3.966 3.966 4.277 -0.311 25852 6275 1 10 . 1 1 10 10 ALA CA C 10 52.746 52.746 54.682 -1.936 25852 6276 1 10 . 1 1 10 10 ALA CB C 10 15.165 15.165 19.039 -3.874 25852 6277 1 10 . 1 1 10 10 ALA H H 10 7.835 7.835 8.322 -0.487 25852 6278 1 10 . 1 1 11 11 GLU N N 11 119.983 119.983 116.564 3.419 25852 6279 1 10 . 1 1 11 11 GLU HA H 11 3.904 3.904 4.914 -1.010 25852 6280 1 10 . 1 1 11 11 GLU CA C 11 56.560 56.560 57.157 -0.597 25852 6281 1 10 . 1 1 11 11 GLU CB C 11 27.425 27.425 31.233 -3.808 25852 6282 1 10 . 1 1 11 11 GLU H H 11 7.706 7.706 7.818 -0.112 25852 6283 1 10 . 1 1 12 12 PHE N N 12 119.907 119.907 119.904 0.003 25852 6284 1 10 . 1 1 12 12 PHE HA H 12 4.726 4.726 4.681 0.045 25852 6285 1 10 . 1 1 12 12 PHE CA C 12 55.839 55.839 58.911 -3.072 25852 6286 1 10 . 1 1 12 12 PHE CB C 12 33.955 33.955 38.739 -4.784 25852 6287 1 10 . 1 1 12 12 PHE H H 12 8.728 8.728 9.034 -0.306 25852 6288 1 10 . 1 1 13 13 LYS N N 13 121.208 121.208 120.474 0.734 25852 6289 1 10 . 1 1 13 13 LYS HA H 13 3.904 3.904 3.808 0.096 25852 6290 1 10 . 1 1 13 13 LYS CA C 13 57.290 57.290 59.025 -1.735 25852 6291 1 10 . 1 1 13 13 LYS CB C 13 30.174 30.174 32.427 -2.253 25852 6292 1 10 . 1 1 13 13 LYS H H 13 9.161 9.161 8.442 0.719 25852 6293 1 10 . 1 1 14 14 GLU N N 14 120.226 120.226 120.540 -0.314 25852 6294 1 10 . 1 1 14 14 GLU HA H 14 3.953 3.953 4.176 -0.223 25852 6295 1 10 . 1 1 14 14 GLU CA C 14 56.460 56.460 58.622 -2.162 25852 6296 1 10 . 1 1 14 14 GLU CB C 14 26.623 26.623 29.446 -2.823 25852 6297 1 10 . 1 1 14 14 GLU H H 14 7.980 7.980 8.076 -0.096 25852 6298 1 10 . 1 1 15 15 ALA N N 15 120.572 120.572 121.997 -1.425 25852 6299 1 10 . 1 1 15 15 ALA HA H 15 4.170 4.170 4.190 -0.020 25852 6300 1 10 . 1 1 15 15 ALA CA C 15 52.750 52.750 54.869 -2.119 25852 6301 1 10 . 1 1 15 15 ALA CB C 15 16.425 16.425 18.659 -2.234 25852 6302 1 10 . 1 1 15 15 ALA H H 15 7.563 7.563 8.559 -0.996 25852 6303 1 10 . 1 1 16 16 PHE N N 16 117.784 117.784 117.039 0.745 25852 6304 1 10 . 1 1 16 16 PHE HA H 16 3.904 3.904 4.397 -0.493 25852 6305 1 10 . 1 1 16 16 PHE CA C 16 59.540 59.540 58.598 0.942 25852 6306 1 10 . 1 1 16 16 PHE CB C 16 36.820 36.820 39.434 -2.614 25852 6307 1 10 . 1 1 16 16 PHE H H 16 8.453 8.453 7.478 0.975 25852 6308 1 10 . 1 1 17 17 SER N N 17 110.774 110.774 115.203 -4.429 25852 6309 1 10 . 1 1 17 17 SER HA H 17 4.086 4.086 3.917 0.169 25852 6310 1 10 . 1 1 17 17 SER CA C 17 58.560 58.560 59.193 -0.632 25852 6311 1 10 . 1 1 17 17 SER CB C 17 60.651 60.651 62.687 -2.036 25852 6312 1 10 . 1 1 17 17 SER H H 17 8.351 8.351 7.856 0.495 25852 6313 1 10 . 1 1 18 18 LEU N N 18 120.947 120.947 121.646 -0.699 25852 6314 1 10 . 1 1 18 18 LEU HA H 18 3.614 3.614 3.952 -0.338 25852 6315 1 10 . 1 1 18 18 LEU CA C 18 55.839 55.839 58.191 -2.352 25852 6316 1 10 . 1 1 18 18 LEU CB C 18 39.111 39.111 42.526 -3.416 25852 6317 1 10 . 1 1 18 18 LEU H H 18 7.278 7.278 8.360 -1.082 25852 6318 1 10 . 1 1 19 19 PHE N N 19 114.458 114.458 113.726 0.732 25852 6319 1 10 . 1 1 19 19 PHE HA H 19 3.904 3.904 4.430 -0.526 25852 6320 1 10 . 1 1 19 19 PHE CA C 19 56.870 56.870 58.131 -1.261 25852 6321 1 10 . 1 1 19 19 PHE CB C 19 33.841 33.841 41.632 -7.791 25852 6322 1 10 . 1 1 19 19 PHE H H 19 7.304 7.304 7.484 -0.180 25852 6323 1 10 . 1 1 20 20 ASP N N 20 122.233 122.233 122.183 0.050 25852 6324 1 10 . 1 1 20 20 ASP HA H 20 4.874 4.874 4.778 0.096 25852 6325 1 10 . 1 1 20 20 ASP CA C 20 50.454 50.454 53.547 -3.093 25852 6326 1 10 . 1 1 20 20 ASP CB C 20 37.622 37.622 39.248 -1.626 25852 6327 1 10 . 1 1 20 20 ASP H H 20 7.233 7.233 8.029 -0.796 25852 6328 1 10 . 1 1 21 21 LYS N N 21 123.433 123.433 121.964 1.469 25852 6329 1 10 . 1 1 21 21 LYS HA H 21 3.771 3.771 4.059 -0.288 25852 6330 1 10 . 1 1 21 21 LYS CA C 21 56.025 56.025 58.390 -2.365 25852 6331 1 10 . 1 1 21 21 LYS CB C 21 29.601 29.601 32.418 -2.817 25852 6332 1 10 . 1 1 21 21 LYS H H 21 8.007 8.007 7.770 0.237 25852 6333 1 10 . 1 1 22 22 ASP N N 22 116.890 116.890 118.965 -2.075 25852 6334 1 10 . 1 1 22 22 ASP HA H 22 4.400 4.400 4.537 -0.137 25852 6335 1 10 . 1 1 22 22 ASP CA C 22 50.683 50.683 54.594 -3.911 25852 6336 1 10 . 1 1 22 22 ASP CB C 22 37.049 37.049 41.068 -4.019 25852 6337 1 10 . 1 1 22 22 ASP H H 22 8.641 8.641 8.274 0.367 25852 6338 1 10 . 1 1 23 23 GLY N N 23 110.068 110.068 106.407 3.661 25852 6339 1 10 . 1 1 23 23 GLY CA C 23 43.745 43.745 45.269 -1.524 25852 6340 1 10 . 1 1 23 23 GLY H H 23 7.938 7.938 8.148 -0.210 25852 6341 1 10 . 1 1 24 24 ASP N N 24 120.219 120.219 119.831 0.388 25852 6342 1 10 . 1 1 24 24 ASP HA H 24 4.367 4.367 4.751 -0.384 25852 6343 1 10 . 1 1 24 24 ASP CA C 24 51.040 51.040 53.946 -2.906 25852 6344 1 10 . 1 1 24 24 ASP CB C 24 37.438 37.438 40.865 -3.427 25852 6345 1 10 . 1 1 24 24 ASP H H 24 8.723 8.723 8.016 0.707 25852 6346 1 10 . 1 1 25 25 GLY N N 25 111.889 111.889 109.045 2.844 25852 6347 1 10 . 1 1 25 25 GLY CA C 25 42.680 42.680 46.762 -4.082 25852 6348 1 10 . 1 1 25 25 GLY H H 25 10.132 10.132 8.837 1.295 25852 6349 1 10 . 1 1 26 26 THR N N 26 109.844 109.844 116.668 -6.824 25852 6350 1 10 . 1 1 26 26 THR HA H 26 5.386 5.386 5.052 0.334 25852 6351 1 10 . 1 1 26 26 THR CA C 26 56.950 56.950 61.018 -4.068 25852 6352 1 10 . 1 1 26 26 THR CB C 26 70.234 70.234 71.105 -0.871 25852 6353 1 10 . 1 1 26 26 THR H H 26 7.507 7.507 8.110 -0.603 25852 6354 1 10 . 1 1 27 27 ILE N N 27 110.289 110.289 116.607 -6.318 25852 6355 1 10 . 1 1 27 27 ILE HA H 27 3.891 3.891 4.666 -0.775 25852 6356 1 10 . 1 1 27 27 ILE CA C 27 58.360 58.360 58.513 -0.153 25852 6357 1 10 . 1 1 27 27 ILE CB C 27 35.559 35.559 41.125 -5.566 25852 6358 1 10 . 1 1 27 27 ILE H H 27 8.191 8.191 8.947 -0.756 25852 6359 1 10 . 1 1 28 28 THR N N 28 110.507 110.507 115.769 -5.262 25852 6360 1 10 . 1 1 28 28 THR HA H 28 4.895 4.895 4.378 0.517 25852 6361 1 10 . 1 1 28 28 THR CA C 28 57.787 57.787 62.597 -4.810 25852 6362 1 10 . 1 1 28 28 THR CB C 28 68.099 68.099 69.412 -1.313 25852 6363 1 10 . 1 1 28 28 THR H H 28 8.265 8.265 8.393 -0.128 25852 6364 1 10 . 1 1 29 29 THR N N 29 112.331 112.331 116.325 -3.994 25852 6365 1 10 . 1 1 29 29 THR HA H 29 3.941 3.941 4.053 -0.112 25852 6366 1 10 . 1 1 29 29 THR CA C 29 63.840 63.840 65.170 -1.330 25852 6367 1 10 . 1 1 29 29 THR CB C 29 65.807 65.807 68.585 -2.778 25852 6368 1 10 . 1 1 29 29 THR H H 29 8.225 8.225 8.302 -0.077 25852 6369 1 10 . 1 1 30 30 LYS N N 30 118.985 118.985 122.051 -3.066 25852 6370 1 10 . 1 1 30 30 LYS HA H 30 3.965 3.965 4.036 -0.071 25852 6371 1 10 . 1 1 30 30 LYS CA C 30 55.839 55.839 59.058 -3.219 25852 6372 1 10 . 1 1 30 30 LYS CB C 30 29.372 29.372 31.905 -2.533 25852 6373 1 10 . 1 1 30 30 LYS H H 30 7.559 7.559 8.527 -0.968 25852 6374 1 10 . 1 1 31 31 GLU N N 31 117.233 117.233 114.543 2.690 25852 6375 1 10 . 1 1 31 31 GLU HA H 31 3.965 3.965 4.151 -0.186 25852 6376 1 10 . 1 1 31 31 GLU CA C 31 57.140 57.140 56.264 0.876 25852 6377 1 10 . 1 1 31 31 GLU CB C 31 26.393 26.393 29.278 -2.885 25852 6378 1 10 . 1 1 31 31 GLU H H 31 7.431 7.431 7.642 -0.211 25852 6379 1 10 . 1 1 32 32 LEU N N 32 120.701 120.701 122.692 -1.991 25852 6380 1 10 . 1 1 32 32 LEU HA H 32 3.880 3.880 3.788 0.092 25852 6381 1 10 . 1 1 32 32 LEU CA C 32 55.520 55.520 57.905 -2.385 25852 6382 1 10 . 1 1 32 32 LEU CB C 32 39.226 39.226 41.597 -2.371 25852 6383 1 10 . 1 1 32 32 LEU H H 32 7.270 7.270 7.780 -0.510 25852 6384 1 10 . 1 1 33 33 GLY N N 33 105.217 105.217 104.493 0.724 25852 6385 1 10 . 1 1 33 33 GLY CA C 33 45.642 45.642 47.660 -2.018 25852 6386 1 10 . 1 1 33 33 GLY H H 33 8.737 8.737 8.307 0.430 25852 6387 1 10 . 1 1 34 34 THR N N 34 118.196 118.196 118.620 -0.424 25852 6388 1 10 . 1 1 34 34 THR HA H 34 3.916 3.916 4.165 -0.249 25852 6389 1 10 . 1 1 34 34 THR CA C 34 63.859 63.859 66.169 -2.310 25852 6390 1 10 . 1 1 34 34 THR CB C 34 65.807 65.807 68.612 -2.805 25852 6391 1 10 . 1 1 34 34 THR H H 34 7.446 7.446 7.539 -0.093 25852 6392 1 10 . 1 1 35 35 VAL N N 35 122.546 122.546 121.186 1.360 25852 6393 1 10 . 1 1 35 35 VAL HA H 35 3.373 3.373 4.003 -0.630 25852 6394 1 10 . 1 1 35 35 VAL CA C 35 64.088 64.088 64.697 -0.609 25852 6395 1 10 . 1 1 35 35 VAL CB C 35 28.799 28.799 30.131 -1.332 25852 6396 1 10 . 1 1 35 35 VAL H H 35 7.889 7.889 7.699 0.190 25852 6397 1 10 . 1 1 36 36 MET N N 36 118.307 118.307 117.828 0.479 25852 6398 1 10 . 1 1 36 36 MET HA H 36 3.880 3.880 4.206 -0.326 25852 6399 1 10 . 1 1 36 36 MET CA C 36 56.870 56.870 59.194 -2.324 25852 6400 1 10 . 1 1 36 36 MET CB C 36 26.279 26.279 32.877 -6.598 25852 6401 1 10 . 1 1 36 36 MET H H 36 8.386 8.386 8.016 0.370 25852 6402 1 10 . 1 1 37 37 ARG N N 37 119.233 119.233 119.383 -0.150 25852 6403 1 10 . 1 1 37 37 ARG HA H 37 3.904 3.904 4.412 -0.508 25852 6404 1 10 . 1 1 37 37 ARG CA C 37 56.170 56.170 58.832 -2.662 25852 6405 1 10 . 1 1 37 37 ARG CB C 37 27.310 27.310 30.322 -3.012 25852 6406 1 10 . 1 1 37 37 ARG H H 37 8.451 8.451 8.486 -0.035 25852 6407 1 10 . 1 1 38 38 SER N N 38 118.720 118.720 117.033 1.687 25852 6408 1 10 . 1 1 38 38 SER HA H 38 4.176 4.176 4.291 -0.115 25852 6409 1 10 . 1 1 38 38 SER CA C 38 59.250 59.250 60.859 -1.609 25852 6410 1 10 . 1 1 38 38 SER CB C 38 67.411 67.411 62.907 4.504 25852 6411 1 10 . 1 1 38 38 SER H H 38 8.040 8.040 8.235 -0.195 25852 6412 1 10 . 1 1 39 39 LEU N N 39 120.896 120.896 119.606 1.290 25852 6413 1 10 . 1 1 39 39 LEU HA H 39 4.460 4.460 4.470 -0.010 25852 6414 1 10 . 1 1 39 39 LEU CA C 39 51.330 51.330 54.956 -3.626 25852 6415 1 10 . 1 1 39 39 LEU CB C 39 40.257 40.257 42.279 -2.022 25852 6416 1 10 . 1 1 39 39 LEU H H 39 7.263 7.263 7.297 -0.034 25852 6417 1 10 . 1 1 40 40 GLY N N 40 106.917 106.917 106.316 0.601 25852 6418 1 10 . 1 1 40 40 GLY CA C 40 42.880 42.880 44.555 -1.675 25852 6419 1 10 . 1 1 40 40 GLY H H 40 7.841 7.841 7.923 -0.082 25852 6420 1 10 . 1 1 41 41 GLN N N 41 117.171 117.171 120.663 -3.492 25852 6421 1 10 . 1 1 41 41 GLN HA H 41 4.243 4.243 4.308 -0.065 25852 6422 1 10 . 1 1 41 41 GLN CA C 41 52.631 52.631 55.790 -3.159 25852 6423 1 10 . 1 1 41 41 GLN CB C 41 30.747 30.747 29.716 1.031 25852 6424 1 10 . 1 1 41 41 GLN H H 41 7.687 7.687 7.724 -0.037 25852 6425 1 10 . 1 1 42 42 ASN N N 42 116.423 116.423 121.142 -4.719 25852 6426 1 10 . 1 1 42 42 ASN HA H 42 5.016 5.016 5.042 -0.026 25852 6427 1 10 . 1 1 42 42 ASN CA C 42 48.640 48.640 50.811 -2.171 25852 6428 1 10 . 1 1 42 42 ASN CB C 42 36.591 36.591 39.438 -2.847 25852 6429 1 10 . 1 1 42 42 ASN H H 42 8.601 8.601 8.685 -0.084 25852 6430 1 10 . 1 1 44 44 THR N N 44 113.033 113.033 113.834 -0.801 25852 6431 1 10 . 1 1 44 44 THR HA H 44 4.279 4.279 4.512 -0.233 25852 6432 1 10 . 1 1 44 44 THR CA C 44 57.640 57.640 59.097 -1.457 25852 6433 1 10 . 1 1 44 44 THR CB C 44 68.328 68.328 70.091 -1.762 25852 6434 1 10 . 1 1 44 44 THR H H 44 8.711 8.711 8.286 0.425 25852 6435 1 10 . 1 1 45 45 GLU N N 45 120.233 120.233 119.868 0.365 25852 6436 1 10 . 1 1 45 45 GLU HA H 45 3.892 3.892 4.248 -0.356 25852 6437 1 10 . 1 1 45 45 GLU CA C 45 56.756 56.756 58.725 -1.969 25852 6438 1 10 . 1 1 45 45 GLU CB C 45 26.393 26.393 29.635 -3.242 25852 6439 1 10 . 1 1 45 45 GLU H H 45 8.781 8.781 8.956 -0.175 25852 6440 1 10 . 1 1 46 46 ALA N N 46 120.833 120.833 122.389 -1.556 25852 6441 1 10 . 1 1 46 46 ALA HA H 46 3.868 3.868 4.180 -0.312 25852 6442 1 10 . 1 1 46 46 ALA CA C 46 52.310 52.310 54.715 -2.405 25852 6443 1 10 . 1 1 46 46 ALA CB C 46 15.394 15.394 18.391 -2.997 25852 6444 1 10 . 1 1 46 46 ALA H H 46 8.251 8.251 7.569 0.682 25852 6445 1 10 . 1 1 47 47 GLU N N 47 118.672 118.672 117.009 1.663 25852 6446 1 10 . 1 1 47 47 GLU HA H 47 3.965 3.965 4.227 -0.262 25852 6447 1 10 . 1 1 47 47 GLU CA C 47 56.641 56.641 58.371 -1.730 25852 6448 1 10 . 1 1 47 47 GLU CB C 47 26.623 26.623 30.008 -3.385 25852 6449 1 10 . 1 1 47 47 GLU H H 47 7.668 7.668 8.341 -0.673 25852 6450 1 10 . 1 1 48 48 LEU N N 48 119.645 119.645 118.958 0.687 25852 6451 1 10 . 1 1 48 48 LEU HA H 48 3.892 3.892 4.120 -0.228 25852 6452 1 10 . 1 1 48 48 LEU CA C 48 55.610 55.610 57.547 -1.937 25852 6453 1 10 . 1 1 48 48 LEU CB C 48 39.340 39.340 41.575 -2.235 25852 6454 1 10 . 1 1 48 48 LEU H H 48 8.244 8.244 7.510 0.734 25852 6455 1 10 . 1 1 49 49 GLN N N 49 117.446 117.446 118.123 -0.677 25852 6456 1 10 . 1 1 49 49 GLN HA H 49 3.892 3.892 4.246 -0.354 25852 6457 1 10 . 1 1 49 49 GLN CA C 49 56.756 56.756 57.841 -1.085 25852 6458 1 10 . 1 1 49 49 GLN CB C 49 26.508 26.508 28.848 -2.340 25852 6459 1 10 . 1 1 49 49 GLN H H 49 7.980 7.980 7.929 0.051 25852 6460 1 10 . 1 1 50 50 ASP N N 50 118.733 118.733 120.017 -1.284 25852 6461 1 10 . 1 1 50 50 ASP HA H 50 4.267 4.267 4.590 -0.323 25852 6462 1 10 . 1 1 50 50 ASP CA C 50 54.700 54.700 56.837 -2.137 25852 6463 1 10 . 1 1 50 50 ASP CB C 50 37.622 37.622 40.945 -3.323 25852 6464 1 10 . 1 1 50 50 ASP H H 50 7.761 7.761 7.640 0.121 25852 6465 1 10 . 1 1 51 51 MET N N 51 118.996 118.996 118.295 0.701 25852 6466 1 10 . 1 1 51 51 MET HA H 51 3.892 3.892 4.782 -0.890 25852 6467 1 10 . 1 1 51 51 MET CA C 51 56.560 56.560 56.861 -0.301 25852 6468 1 10 . 1 1 51 51 MET CB C 51 29.601 29.601 33.003 -3.402 25852 6469 1 10 . 1 1 51 51 MET H H 51 7.900 7.900 8.576 -0.676 25852 6470 1 10 . 1 1 52 52 ILE N N 52 118.833 118.833 119.960 -1.127 25852 6471 1 10 . 1 1 52 52 ILE HA H 52 3.348 3.348 3.773 -0.425 25852 6472 1 10 . 1 1 52 52 ILE CA C 52 62.484 62.484 63.949 -1.465 25852 6473 1 10 . 1 1 52 52 ILE CB C 52 35.330 35.330 37.561 -2.231 25852 6474 1 10 . 1 1 52 52 ILE H H 52 8.261 8.261 7.580 0.681 25852 6475 1 10 . 1 1 53 53 ASN N N 53 117.296 117.296 115.648 1.648 25852 6476 1 10 . 1 1 53 53 ASN HA H 53 4.243 4.243 4.444 -0.201 25852 6477 1 10 . 1 1 53 53 ASN CA C 53 53.090 53.090 56.262 -3.172 25852 6478 1 10 . 1 1 53 53 ASN CB C 53 35.330 35.330 38.812 -3.482 25852 6479 1 10 . 1 1 53 53 ASN H H 53 8.186 8.186 8.429 -0.243 25852 6480 1 10 . 1 1 54 54 GLU N N 54 117.133 117.133 117.566 -0.433 25852 6481 1 10 . 1 1 54 54 GLU HA H 54 3.965 3.965 4.220 -0.255 25852 6482 1 10 . 1 1 54 54 GLU CA C 54 56.412 56.412 58.222 -1.810 25852 6483 1 10 . 1 1 54 54 GLU CB C 54 26.508 26.508 30.218 -3.710 25852 6484 1 10 . 1 1 54 54 GLU H H 54 7.501 7.501 7.614 -0.113 25852 6485 1 10 . 1 1 55 55 VAL N N 55 112.928 112.928 120.349 -7.421 25852 6486 1 10 . 1 1 55 55 VAL HA H 55 4.194 4.194 3.914 0.280 25852 6487 1 10 . 1 1 55 55 VAL CA C 55 59.505 59.505 65.917 -6.412 25852 6488 1 10 . 1 1 55 55 VAL CB C 55 30.174 30.174 32.075 -1.901 25852 6489 1 10 . 1 1 55 55 VAL H H 55 7.575 7.575 8.535 -0.960 25852 6490 1 10 . 1 1 56 56 ASP N N 56 121.771 121.771 119.528 2.243 25852 6491 1 10 . 1 1 56 56 ASP HA H 56 4.388 4.388 4.521 -0.133 25852 6492 1 10 . 1 1 56 56 ASP CA C 56 50.990 50.990 54.142 -3.152 25852 6493 1 10 . 1 1 56 56 ASP CB C 56 36.820 36.820 39.558 -2.738 25852 6494 1 10 . 1 1 56 56 ASP H H 56 8.401 8.401 8.003 0.398 25852 6495 1 10 . 1 1 57 57 ALA N N 57 124.771 124.771 121.285 3.486 25852 6496 1 10 . 1 1 57 57 ALA HA H 57 4.001 4.001 4.282 -0.281 25852 6497 1 10 . 1 1 57 57 ALA CA C 57 52.402 52.402 53.508 -1.106 25852 6498 1 10 . 1 1 57 57 ALA CB C 57 15.280 15.280 19.097 -3.817 25852 6499 1 10 . 1 1 57 57 ALA H H 57 8.097 8.097 8.156 -0.059 25852 6500 1 10 . 1 1 58 58 ASP N N 58 114.518 114.518 119.380 -4.862 25852 6501 1 10 . 1 1 58 58 ASP HA H 58 4.400 4.400 4.648 -0.248 25852 6502 1 10 . 1 1 58 58 ASP CA C 58 50.798 50.798 54.262 -3.464 25852 6503 1 10 . 1 1 58 58 ASP CB C 58 36.934 36.934 41.723 -4.789 25852 6504 1 10 . 1 1 58 58 ASP H H 58 8.376 8.376 7.881 0.495 25852 6505 1 10 . 1 1 59 59 GLY N N 59 108.798 108.798 107.938 0.860 25852 6506 1 10 . 1 1 59 59 GLY CA C 59 44.490 44.490 45.426 -0.936 25852 6507 1 10 . 1 1 59 59 GLY H H 59 7.827 7.827 8.527 -0.700 25852 6508 1 10 . 1 1 60 60 ASN N N 60 119.696 119.696 117.649 2.047 25852 6509 1 10 . 1 1 60 60 ASN HA H 60 4.688 4.688 4.678 0.010 25852 6510 1 10 . 1 1 60 60 ASN CA C 60 51.943 51.943 53.397 -1.454 25852 6511 1 10 . 1 1 60 60 ASN CB C 60 38.424 38.424 39.843 -1.419 25852 6512 1 10 . 1 1 60 60 ASN H H 60 9.253 9.253 8.228 1.025 25852 6513 1 10 . 1 1 61 61 GLY N N 61 110.108 110.108 109.861 0.247 25852 6514 1 10 . 1 1 61 61 GLY CA C 61 42.870 42.870 46.374 -3.504 25852 6515 1 10 . 1 1 61 61 GLY H H 61 10.004 10.004 8.318 1.686 25852 6516 1 10 . 1 1 62 62 THR N N 62 110.533 110.533 111.530 -0.997 25852 6517 1 10 . 1 1 62 62 THR HA H 62 4.629 4.629 5.073 -0.444 25852 6518 1 10 . 1 1 62 62 THR CA C 62 59.162 59.162 60.722 -1.560 25852 6519 1 10 . 1 1 62 62 THR CB C 62 67.526 67.526 73.089 -5.563 25852 6520 1 10 . 1 1 62 62 THR H H 62 7.481 7.481 7.429 0.052 25852 6521 1 10 . 1 1 63 63 ILE N N 63 118.533 118.533 122.325 -3.792 25852 6522 1 10 . 1 1 63 63 ILE HA H 63 3.783 3.783 4.326 -0.543 25852 6523 1 10 . 1 1 63 63 ILE CA C 63 60.537 60.537 60.076 0.461 25852 6524 1 10 . 1 1 63 63 ILE CB C 63 36.018 36.018 41.902 -5.884 25852 6525 1 10 . 1 1 63 63 ILE H H 63 8.820 8.820 9.010 -0.190 25852 6526 1 10 . 1 1 64 64 ASP N N 64 122.928 122.928 126.614 -3.686 25852 6527 1 10 . 1 1 64 64 ASP HA H 64 4.327 4.327 4.832 -0.505 25852 6528 1 10 . 1 1 64 64 ASP CA C 64 51.027 51.027 55.164 -4.137 25852 6529 1 10 . 1 1 64 64 ASP CB C 64 37.278 37.278 42.598 -5.320 25852 6530 1 10 . 1 1 64 64 ASP H H 64 8.380 8.380 8.719 -0.339 25852 6531 1 10 . 1 1 65 65 PHE N N 65 118.559 118.559 117.579 0.980 25852 6532 1 10 . 1 1 65 65 PHE HA H 65 3.880 3.880 5.024 -1.144 25852 6533 1 10 . 1 1 65 65 PHE CA C 65 56.870 56.870 59.952 -3.082 25852 6534 1 10 . 1 1 65 65 PHE CB C 65 33.497 33.497 36.219 -2.722 25852 6535 1 10 . 1 1 65 65 PHE H H 65 8.559 8.559 8.426 0.133 25852 6536 1 10 . 1 1 67 67 GLU N N 67 117.546 117.546 114.845 2.701 25852 6537 1 10 . 1 1 67 67 GLU HA H 67 3.904 3.904 4.328 -0.424 25852 6538 1 10 . 1 1 67 67 GLU CA C 67 56.870 56.870 56.933 -0.063 25852 6539 1 10 . 1 1 67 67 GLU CB C 67 26.623 26.623 29.644 -3.021 25852 6540 1 10 . 1 1 67 67 GLU H H 67 7.995 7.995 8.254 -0.259 25852 6541 1 10 . 1 1 68 68 PHE N N 68 122.032 122.032 120.581 1.451 25852 6542 1 10 . 1 1 68 68 PHE HA H 68 3.904 3.904 4.411 -0.507 25852 6543 1 10 . 1 1 68 68 PHE CA C 68 59.047 59.047 60.556 -1.509 25852 6544 1 10 . 1 1 68 68 PHE CB C 68 36.934 36.934 39.694 -2.760 25852 6545 1 10 . 1 1 68 68 PHE H H 68 8.377 8.377 7.654 0.723 25852 6546 1 10 . 1 1 69 69 LEU N N 69 118.488 118.488 118.979 -0.491 25852 6547 1 10 . 1 1 69 69 LEU HA H 69 3.179 3.179 4.070 -0.891 25852 6548 1 10 . 1 1 69 69 LEU CA C 69 55.158 55.158 57.887 -2.729 25852 6549 1 10 . 1 1 69 69 LEU CB C 69 38.195 38.195 41.820 -3.625 25852 6550 1 10 . 1 1 69 69 LEU H H 69 8.393 8.393 7.842 0.551 25852 6551 1 10 . 1 1 70 70 THR N N 70 115.208 115.208 115.404 -0.196 25852 6552 1 10 . 1 1 70 70 THR HA H 70 3.638 3.638 3.843 -0.205 25852 6553 1 10 . 1 1 70 70 THR CA C 70 63.630 63.630 66.375 -2.745 25852 6554 1 10 . 1 1 70 70 THR CB C 70 65.578 65.578 68.514 -2.936 25852 6555 1 10 . 1 1 70 70 THR H H 70 7.658 7.658 8.053 -0.395 25852 6556 1 10 . 1 1 71 71 MET N N 71 121.221 121.221 118.456 2.765 25852 6557 1 10 . 1 1 71 71 MET HA H 71 3.892 3.892 4.223 -0.331 25852 6558 1 10 . 1 1 71 71 MET CA C 71 56.303 56.303 58.348 -2.045 25852 6559 1 10 . 1 1 71 71 MET CB C 71 29.831 29.831 32.046 -2.215 25852 6560 1 10 . 1 1 71 71 MET H H 71 7.653 7.653 7.351 0.302 25852 6561 1 10 . 1 1 72 72 MET N N 72 117.459 117.459 117.821 -0.362 25852 6562 1 10 . 1 1 72 72 MET HA H 72 3.892 3.892 4.260 -0.368 25852 6563 1 10 . 1 1 72 72 MET CA C 72 53.777 53.777 57.544 -3.767 25852 6564 1 10 . 1 1 72 72 MET CB C 72 29.029 29.029 32.391 -3.362 25852 6565 1 10 . 1 1 72 72 MET H H 72 7.956 7.956 7.353 0.603 25852 6566 1 10 . 1 1 73 73 ALA N N 73 120.856 120.856 121.490 -0.634 25852 6567 1 10 . 1 1 73 73 ALA HA H 73 3.868 3.868 4.191 -0.323 25852 6568 1 10 . 1 1 73 73 ALA CA C 73 52.402 52.402 54.496 -2.094 25852 6569 1 10 . 1 1 73 73 ALA CB C 73 15.280 15.280 19.017 -3.737 25852 6570 1 10 . 1 1 73 73 ALA H H 73 8.230 8.230 8.037 0.193 25852 6571 1 10 . 1 1 74 74 ARG N N 74 116.530 116.530 116.483 0.047 25852 6572 1 10 . 1 1 74 74 ARG HA H 74 3.892 3.892 4.260 -0.368 25852 6573 1 10 . 1 1 74 74 ARG CA C 74 56.297 56.297 57.924 -1.627 25852 6574 1 10 . 1 1 74 74 ARG CB C 74 27.997 27.997 30.406 -2.409 25852 6575 1 10 . 1 1 74 74 ARG H H 74 7.409 7.409 7.651 -0.242 25852 6576 1 10 . 1 1 75 75 LYS N N 75 118.008 118.008 118.030 -0.022 25852 6577 1 10 . 1 1 75 75 LYS HA H 75 3.965 3.965 4.247 -0.282 25852 6578 1 10 . 1 1 75 75 LYS CA C 75 55.495 55.495 58.278 -2.783 25852 6579 1 10 . 1 1 75 75 LYS CB C 75 26.279 26.279 32.579 -6.300 25852 6580 1 10 . 1 1 75 75 LYS H H 75 7.657 7.657 7.901 -0.244 25852 6581 1 10 . 1 1 76 76 MET N N 76 117.646 117.646 113.277 4.369 25852 6582 1 10 . 1 1 76 76 MET HA H 76 4.146 4.146 4.695 -0.549 25852 6583 1 10 . 1 1 76 76 MET CA C 76 53.947 53.947 56.667 -2.720 25852 6584 1 10 . 1 1 76 76 MET CB C 76 29.487 29.487 34.177 -4.690 25852 6585 1 10 . 1 1 76 76 MET H H 76 7.883 7.883 7.227 0.656 25852 6586 1 10 . 1 1 77 77 LYS N N 77 120.334 120.334 119.250 1.084 25852 6587 1 10 . 1 1 77 77 LYS HA H 77 3.941 3.941 4.111 -0.170 25852 6588 1 10 . 1 1 77 77 LYS CA C 77 56.526 56.526 58.578 -2.053 25852 6589 1 10 . 1 1 77 77 LYS CB C 77 27.425 27.425 32.443 -5.018 25852 6590 1 10 . 1 1 77 77 LYS H H 77 7.658 7.658 7.703 -0.045 25852 6591 1 10 . 1 1 78 78 ASP N N 78 121.733 121.733 116.553 5.180 25852 6592 1 10 . 1 1 78 78 ASP HA H 78 4.194 4.194 4.726 -0.532 25852 6593 1 10 . 1 1 78 78 ASP CA C 78 52.516 52.516 56.101 -3.585 25852 6594 1 10 . 1 1 78 78 ASP CB C 78 40.028 40.028 41.374 -1.346 25852 6595 1 10 . 1 1 78 78 ASP H H 78 8.212 8.212 8.070 0.142 25852 6596 1 10 . 1 1 79 79 THR N N 79 114.651 114.651 116.681 -2.030 25852 6597 1 10 . 1 1 79 79 THR HA H 79 4.170 4.170 4.278 -0.108 25852 6598 1 10 . 1 1 79 79 THR CA C 79 59.391 59.391 61.730 -2.339 25852 6599 1 10 . 1 1 79 79 THR CB C 79 67.067 67.067 67.332 -0.265 25852 6600 1 10 . 1 1 79 79 THR H H 79 8.048 8.048 8.032 0.016 25852 6601 1 10 . 1 1 80 80 ASP N N 80 122.484 122.484 120.911 1.573 25852 6602 1 10 . 1 1 80 80 ASP HA H 80 4.363 4.363 4.354 0.009 25852 6603 1 10 . 1 1 80 80 ASP CA C 80 50.850 50.850 55.193 -4.343 25852 6604 1 10 . 1 1 80 80 ASP CB C 80 36.705 36.705 41.396 -4.691 25852 6605 1 10 . 1 1 80 80 ASP H H 80 8.432 8.432 7.791 0.641 25852 6606 1 10 . 1 1 81 81 SER N N 81 117.135 117.135 116.969 0.166 25852 6607 1 10 . 1 1 81 81 SER HA H 81 4.267 4.267 4.241 0.026 25852 6608 1 10 . 1 1 81 81 SER CA C 81 56.870 56.870 60.285 -3.415 25852 6609 1 10 . 1 1 81 81 SER CB C 81 60.884 60.884 63.760 -2.876 25852 6610 1 10 . 1 1 81 81 SER H H 81 8.403 8.403 8.668 -0.265 25852 6611 1 10 . 1 1 82 82 GLU N N 82 121.723 121.723 121.944 -0.221 25852 6612 1 10 . 1 1 82 82 GLU HA H 82 3.883 3.883 4.371 -0.488 25852 6613 1 10 . 1 1 82 82 GLU CA C 82 56.707 56.707 58.282 -1.575 25852 6614 1 10 . 1 1 82 82 GLU CB C 82 29.831 29.831 29.345 0.486 25852 6615 1 10 . 1 1 82 82 GLU H H 82 8.443 8.443 8.342 0.101 25852 6616 1 10 . 1 1 83 83 GLU N N 83 119.259 119.259 118.623 0.636 25852 6617 1 10 . 1 1 83 83 GLU HA H 83 3.883 3.883 4.163 -0.280 25852 6618 1 10 . 1 1 83 83 GLU CA C 83 56.606 56.606 58.543 -1.937 25852 6619 1 10 . 1 1 83 83 GLU CB C 83 29.364 29.364 29.192 0.173 25852 6620 1 10 . 1 1 83 83 GLU H H 83 8.118 8.118 8.645 -0.527 25852 6621 1 10 . 1 1 84 84 GLU N N 84 118.060 118.060 118.511 -0.451 25852 6622 1 10 . 1 1 84 84 GLU HA H 84 3.871 3.871 4.448 -0.577 25852 6623 1 10 . 1 1 84 84 GLU CA C 84 56.606 56.606 58.342 -1.736 25852 6624 1 10 . 1 1 84 84 GLU CB C 84 25.817 25.817 29.408 -3.591 25852 6625 1 10 . 1 1 84 84 GLU H H 84 8.212 8.212 7.791 0.421 25852 6626 1 10 . 1 1 85 85 ILE N N 85 120.736 120.736 117.772 2.964 25852 6627 1 10 . 1 1 85 85 ILE HA H 85 3.678 3.678 4.044 -0.366 25852 6628 1 10 . 1 1 85 85 ILE CA C 85 62.484 62.484 64.742 -2.258 25852 6629 1 10 . 1 1 85 85 ILE CB C 85 35.445 35.445 38.548 -3.103 25852 6630 1 10 . 1 1 85 85 ILE H H 85 7.964 7.964 7.312 0.652 25852 6631 1 10 . 1 1 86 86 ARG N N 86 121.452 121.452 120.578 0.874 25852 6632 1 10 . 1 1 86 86 ARG HA H 86 3.989 3.989 4.164 -0.175 25852 6633 1 10 . 1 1 86 86 ARG CA C 86 56.985 56.985 58.978 -1.993 25852 6634 1 10 . 1 1 86 86 ARG CB C 86 26.856 26.856 29.129 -2.273 25852 6635 1 10 . 1 1 86 86 ARG H H 86 8.351 8.351 8.098 0.253 25852 6636 1 10 . 1 1 87 87 GLU N N 87 118.288 118.288 120.392 -2.104 25852 6637 1 10 . 1 1 87 87 GLU HA H 87 3.861 3.861 4.232 -0.371 25852 6638 1 10 . 1 1 87 87 GLU CA C 87 56.606 56.606 58.380 -1.774 25852 6639 1 10 . 1 1 87 87 GLU CB C 87 25.817 25.817 29.074 -3.257 25852 6640 1 10 . 1 1 87 87 GLU H H 87 8.238 8.238 8.103 0.135 25852 6641 1 10 . 1 1 88 88 ALA N N 88 120.408 120.408 121.706 -1.298 25852 6642 1 10 . 1 1 88 88 ALA HA H 88 4.013 4.013 4.298 -0.285 25852 6643 1 10 . 1 1 88 88 ALA CA C 88 52.263 52.263 54.600 -2.337 25852 6644 1 10 . 1 1 88 88 ALA CB C 88 15.080 15.080 18.613 -3.533 25852 6645 1 10 . 1 1 88 88 ALA H H 88 7.960 7.960 8.369 -0.409 25852 6646 1 10 . 1 1 89 89 PHE N N 89 118.123 118.123 117.739 0.384 25852 6647 1 10 . 1 1 89 89 PHE HA H 89 3.058 3.058 3.414 -0.356 25852 6648 1 10 . 1 1 89 89 PHE CA C 89 59.703 59.703 59.239 0.464 25852 6649 1 10 . 1 1 89 89 PHE CB C 89 36.774 36.774 38.683 -1.909 25852 6650 1 10 . 1 1 89 89 PHE H H 89 8.498 8.498 7.564 0.934 25852 6651 1 10 . 1 1 90 90 ARG N N 90 116.002 116.002 118.911 -2.909 25852 6652 1 10 . 1 1 90 90 ARG HA H 90 3.892 3.892 3.574 0.318 25852 6653 1 10 . 1 1 90 90 ARG CA C 90 56.168 56.168 57.751 -1.583 25852 6654 1 10 . 1 1 90 90 ARG CB C 90 27.654 27.654 29.387 -1.733 25852 6655 1 10 . 1 1 90 90 ARG H H 90 7.860 7.860 7.386 0.474 25852 6656 1 10 . 1 1 91 91 VAL N N 91 118.008 118.008 117.470 0.538 25852 6657 1 10 . 1 1 91 91 VAL HA H 91 3.243 3.243 3.822 -0.579 25852 6658 1 10 . 1 1 91 91 VAL CA C 91 63.357 63.357 64.970 -1.613 25852 6659 1 10 . 1 1 91 91 VAL CB C 91 28.444 28.444 32.482 -4.038 25852 6660 1 10 . 1 1 91 91 VAL H H 91 7.300 7.300 7.516 -0.216 25852 6661 1 10 . 1 1 92 92 PHE N N 92 113.024 113.024 116.926 -3.902 25852 6662 1 10 . 1 1 92 92 PHE HA H 92 3.967 3.967 4.447 -0.480 25852 6663 1 10 . 1 1 92 92 PHE CA C 92 57.558 57.558 59.176 -1.618 25852 6664 1 10 . 1 1 92 92 PHE CB C 92 38.838 38.838 40.181 -1.343 25852 6665 1 10 . 1 1 92 92 PHE H H 92 6.805 6.805 7.399 -0.594 25852 6666 1 10 . 1 1 93 93 ASP N N 93 116.393 116.393 120.656 -4.263 25852 6667 1 10 . 1 1 93 93 ASP HA H 93 4.496 4.496 4.519 -0.023 25852 6668 1 10 . 1 1 93 93 ASP CA C 93 49.525 49.525 55.307 -5.782 25852 6669 1 10 . 1 1 93 93 ASP CB C 93 35.788 35.788 40.130 -4.342 25852 6670 1 10 . 1 1 93 93 ASP H H 93 8.018 8.018 7.863 0.155 25852 6671 1 10 . 1 1 94 94 LYS N N 94 125.158 125.158 124.839 0.319 25852 6672 1 10 . 1 1 94 94 LYS HA H 94 3.892 3.892 4.188 -0.296 25852 6673 1 10 . 1 1 94 94 LYS CA C 94 56.183 56.183 57.716 -1.533 25852 6674 1 10 . 1 1 94 94 LYS CB C 94 29.945 29.945 32.747 -2.802 25852 6675 1 10 . 1 1 94 94 LYS H H 94 7.721 7.721 8.433 -0.712 25852 6676 1 10 . 1 1 95 95 ASP N N 95 113.893 113.893 118.064 -4.171 25852 6677 1 10 . 1 1 95 95 ASP HA H 95 4.415 4.415 4.465 -0.050 25852 6678 1 10 . 1 1 95 95 ASP CA C 95 50.683 50.683 54.708 -4.025 25852 6679 1 10 . 1 1 95 95 ASP CB C 95 36.774 36.774 41.075 -4.301 25852 6680 1 10 . 1 1 95 95 ASP H H 95 8.156 8.156 8.501 -0.345 25852 6681 1 10 . 1 1 96 96 GLY N N 96 108.799 108.799 106.177 2.622 25852 6682 1 10 . 1 1 96 96 GLY CA C 96 44.344 44.344 46.193 -1.849 25852 6683 1 10 . 1 1 96 96 GLY H H 96 7.717 7.717 8.511 -0.794 25852 6684 1 10 . 1 1 97 97 ASN N N 97 119.381 119.381 118.113 1.268 25852 6685 1 10 . 1 1 97 97 ASN HA H 97 4.500 4.500 4.737 -0.237 25852 6686 1 10 . 1 1 97 97 ASN CA C 97 49.916 49.916 52.897 -2.981 25852 6687 1 10 . 1 1 97 97 ASN CB C 97 35.183 35.183 39.199 -4.016 25852 6688 1 10 . 1 1 97 97 ASN H H 97 8.312 8.312 8.116 0.196 25852 6689 1 10 . 1 1 98 98 GLY N N 98 112.330 112.330 106.671 5.659 25852 6690 1 10 . 1 1 98 98 GLY CA C 98 42.434 42.434 45.313 -2.879 25852 6691 1 10 . 1 1 98 98 GLY H H 98 10.555 10.555 7.960 2.595 25852 6692 1 10 . 1 1 99 99 TYR N N 99 116.075 116.075 119.506 -3.431 25852 6693 1 10 . 1 1 99 99 TYR HA H 99 4.871 4.871 4.722 0.149 25852 6694 1 10 . 1 1 99 99 TYR CA C 99 53.582 53.582 56.160 -2.578 25852 6695 1 10 . 1 1 99 99 TYR CB C 99 39.981 39.981 39.767 0.214 25852 6696 1 10 . 1 1 99 99 TYR H H 99 7.650 7.650 7.394 0.256 25852 6697 1 10 . 1 1 100 100 ILE N N 100 126.834 126.834 126.629 0.205 25852 6698 1 10 . 1 1 100 100 ILE HA H 100 4.493 4.493 4.361 0.132 25852 6699 1 10 . 1 1 100 100 ILE CA C 100 58.616 58.616 61.657 -3.041 25852 6700 1 10 . 1 1 100 100 ILE CB C 100 35.903 35.903 36.970 -1.067 25852 6701 1 10 . 1 1 100 100 ILE H H 100 10.037 10.037 8.415 1.622 25852 6702 1 10 . 1 1 101 101 SER N N 101 123.486 123.486 122.572 0.914 25852 6703 1 10 . 1 1 101 101 SER HA H 101 4.738 4.738 4.591 0.147 25852 6704 1 10 . 1 1 101 101 SER CA C 101 52.897 52.897 57.231 -4.334 25852 6705 1 10 . 1 1 101 101 SER CB C 101 64.134 64.134 65.180 -1.046 25852 6706 1 10 . 1 1 101 101 SER H H 101 8.904 8.904 9.116 -0.212 25852 6707 1 10 . 1 1 102 102 ALA N N 102 122.796 122.796 124.142 -1.346 25852 6708 1 10 . 1 1 102 102 ALA HA H 102 3.747 3.747 4.079 -0.332 25852 6709 1 10 . 1 1 102 102 ALA CA C 102 53.093 53.093 54.988 -1.895 25852 6710 1 10 . 1 1 102 102 ALA CB C 102 15.114 15.114 18.331 -3.217 25852 6711 1 10 . 1 1 102 102 ALA H H 102 9.246 9.246 8.565 0.681 25852 6712 1 10 . 1 1 103 103 ALA N N 103 118.362 118.362 118.942 -0.580 25852 6713 1 10 . 1 1 103 103 ALA HA H 103 3.861 3.861 4.190 -0.329 25852 6714 1 10 . 1 1 103 103 ALA CA C 103 52.409 52.409 53.751 -1.342 25852 6715 1 10 . 1 1 103 103 ALA CB C 103 15.456 15.456 18.751 -3.295 25852 6716 1 10 . 1 1 103 103 ALA H H 103 8.214 8.214 8.381 -0.167 25852 6717 1 10 . 1 1 104 104 GLU N N 104 120.187 120.187 120.576 -0.389 25852 6718 1 10 . 1 1 104 104 GLU HA H 104 3.904 3.904 4.132 -0.228 25852 6719 1 10 . 1 1 104 104 GLU CA C 104 56.563 56.563 59.008 -2.445 25852 6720 1 10 . 1 1 104 104 GLU CB C 104 26.400 26.400 29.727 -3.328 25852 6721 1 10 . 1 1 104 104 GLU H H 104 7.864 7.864 7.778 0.086 25852 6722 1 10 . 1 1 105 105 LEU N N 105 121.050 121.050 119.980 1.070 25852 6723 1 10 . 1 1 105 105 LEU HA H 105 3.892 3.892 4.234 -0.342 25852 6724 1 10 . 1 1 105 105 LEU CA C 105 55.732 55.732 57.971 -2.239 25852 6725 1 10 . 1 1 105 105 LEU CB C 105 39.340 39.340 42.276 -2.937 25852 6726 1 10 . 1 1 105 105 LEU H H 105 8.341 8.341 8.679 -0.338 25852 6727 1 10 . 1 1 106 106 ARG N N 106 118.494 118.494 119.158 -0.664 25852 6728 1 10 . 1 1 106 106 ARG HA H 106 3.904 3.904 4.045 -0.141 25852 6729 1 10 . 1 1 106 106 ARG CA C 106 55.724 55.724 58.911 -3.187 25852 6730 1 10 . 1 1 106 106 ARG CB C 106 29.945 29.945 29.203 0.742 25852 6731 1 10 . 1 1 106 106 ARG H H 106 8.852 8.852 7.804 1.048 25852 6732 1 10 . 1 1 107 107 HIS N N 107 118.921 118.921 119.191 -0.270 25852 6733 1 10 . 1 1 107 107 HIS HA H 107 3.876 3.876 4.445 -0.569 25852 6734 1 10 . 1 1 107 107 HIS CA C 107 56.807 56.807 59.327 -2.519 25852 6735 1 10 . 1 1 107 107 HIS CB C 107 27.198 27.198 29.863 -2.665 25852 6736 1 10 . 1 1 107 107 HIS H H 107 8.045 8.045 8.590 -0.545 25852 6737 1 10 . 1 1 108 108 VAL N N 108 118.991 118.991 120.766 -1.775 25852 6738 1 10 . 1 1 108 108 VAL HA H 108 3.385 3.385 3.566 -0.181 25852 6739 1 10 . 1 1 108 108 VAL CA C 108 64.285 64.285 66.705 -2.420 25852 6740 1 10 . 1 1 108 108 VAL CB C 108 28.908 28.908 31.270 -2.362 25852 6741 1 10 . 1 1 108 108 VAL H H 108 7.766 7.766 8.665 -0.899 25852 6742 1 10 . 1 1 109 109 MET N N 109 115.789 115.789 119.187 -3.398 25852 6743 1 10 . 1 1 109 109 MET HA H 109 4.139 4.139 3.990 0.149 25852 6744 1 10 . 1 1 109 109 MET CA C 109 54.461 54.461 59.996 -5.535 25852 6745 1 10 . 1 1 109 109 MET CB C 109 29.706 29.706 32.445 -2.739 25852 6746 1 10 . 1 1 109 109 MET H H 109 8.333 8.333 8.663 -0.330 25852 6747 1 10 . 1 1 110 110 THR N N 110 116.700 116.700 113.109 3.591 25852 6748 1 10 . 1 1 110 110 THR HA H 110 3.935 3.935 4.180 -0.245 25852 6749 1 10 . 1 1 110 110 THR CA C 110 63.845 63.845 65.278 -1.433 25852 6750 1 10 . 1 1 110 110 THR CB C 110 66.072 66.072 68.049 -1.977 25852 6751 1 10 . 1 1 110 110 THR H H 110 8.603 8.603 8.249 0.354 25852 6752 1 10 . 1 1 111 111 ASN N N 111 123.354 123.354 119.499 3.855 25852 6753 1 10 . 1 1 111 111 ASN HA H 111 4.242 4.242 4.587 -0.345 25852 6754 1 10 . 1 1 111 111 ASN CA C 111 53.093 53.093 55.387 -2.294 25852 6755 1 10 . 1 1 111 111 ASN CB C 111 35.292 35.292 38.680 -3.388 25852 6756 1 10 . 1 1 111 111 ASN H H 111 7.991 7.991 7.313 0.678 25852 6757 1 10 . 1 1 112 112 LEU N N 112 118.291 118.291 116.250 2.041 25852 6758 1 10 . 1 1 112 112 LEU HA H 112 4.182 4.182 4.129 0.053 25852 6759 1 10 . 1 1 112 112 LEU CA C 112 52.653 52.653 55.798 -3.145 25852 6760 1 10 . 1 1 112 112 LEU CB C 112 39.738 39.738 42.668 -2.930 25852 6761 1 10 . 1 1 112 112 LEU H H 112 7.754 7.754 7.930 -0.176 25852 6762 1 10 . 1 1 113 113 GLY N N 113 106.894 106.894 103.976 2.918 25852 6763 1 10 . 1 1 113 113 GLY CA C 113 42.536 42.536 44.417 -1.881 25852 6764 1 10 . 1 1 113 113 GLY H H 113 7.778 7.778 8.086 -0.308 25852 6765 1 10 . 1 1 114 114 GLU N N 114 119.776 119.776 121.302 -1.526 25852 6766 1 10 . 1 1 114 114 GLU HA H 114 4.267 4.267 4.494 -0.227 25852 6767 1 10 . 1 1 114 114 GLU CA C 114 52.067 52.067 55.193 -3.126 25852 6768 1 10 . 1 1 114 114 GLU CB C 114 26.616 26.616 32.281 -5.665 25852 6769 1 10 . 1 1 114 114 GLU H H 114 7.957 7.957 8.492 -0.535 25852 6770 1 10 . 1 1 115 115 LYS N N 115 124.429 124.429 120.980 3.449 25852 6771 1 10 . 1 1 115 115 LYS HA H 115 4.255 4.255 4.478 -0.223 25852 6772 1 10 . 1 1 115 115 LYS CA C 115 52.848 52.848 55.510 -2.662 25852 6773 1 10 . 1 1 115 115 LYS CB C 115 30.518 30.518 33.586 -3.068 25852 6774 1 10 . 1 1 115 115 LYS H H 115 8.591 8.591 8.389 0.202 25852 6775 1 10 . 1 1 116 116 LEU N N 116 124.724 124.724 125.155 -0.431 25852 6776 1 10 . 1 1 116 116 LEU HA H 116 4.690 4.690 4.740 -0.050 25852 6777 1 10 . 1 1 116 116 LEU CA C 116 51.089 51.089 54.063 -2.974 25852 6778 1 10 . 1 1 116 116 LEU CB C 116 42.588 42.588 45.076 -2.488 25852 6779 1 10 . 1 1 116 116 LEU H H 116 8.066 8.066 8.512 -0.446 25852 6780 1 10 . 1 1 117 117 THR N N 117 113.912 113.912 116.906 -2.994 25852 6781 1 10 . 1 1 117 117 THR HA H 117 4.302 4.302 4.394 -0.092 25852 6782 1 10 . 1 1 117 117 THR CA C 117 57.834 57.834 61.343 -3.509 25852 6783 1 10 . 1 1 117 117 THR CB C 117 68.580 68.580 70.996 -2.416 25852 6784 1 10 . 1 1 117 117 THR H H 117 9.165 9.165 8.579 0.586 25852 6785 1 10 . 1 1 118 118 ASP N N 118 120.787 120.787 121.001 -0.214 25852 6786 1 10 . 1 1 118 118 ASP HA H 118 4.061 4.061 4.356 -0.295 25852 6787 1 10 . 1 1 118 118 ASP CA C 118 55.243 55.243 58.316 -3.074 25852 6788 1 10 . 1 1 118 118 ASP CB C 118 37.002 37.002 40.948 -3.946 25852 6789 1 10 . 1 1 118 118 ASP H H 118 8.860 8.860 8.816 0.044 25852 6790 1 10 . 1 1 119 119 GLU N N 119 119.091 119.091 117.893 1.198 25852 6791 1 10 . 1 1 119 119 GLU HA H 119 3.892 3.892 4.771 -0.879 25852 6792 1 10 . 1 1 119 119 GLU CA C 119 57.149 57.149 57.967 -0.818 25852 6793 1 10 . 1 1 119 119 GLU CB C 119 25.931 25.931 28.660 -2.729 25852 6794 1 10 . 1 1 119 119 GLU H H 119 8.618 8.618 8.779 -0.161 25852 6795 1 10 . 1 1 120 120 GLU N N 120 120.037 120.037 116.814 3.223 25852 6796 1 10 . 1 1 120 120 GLU HA H 120 3.880 3.880 4.187 -0.307 25852 6797 1 10 . 1 1 120 120 GLU CA C 120 56.319 56.319 57.643 -1.324 25852 6798 1 10 . 1 1 120 120 GLU CB C 120 25.830 25.830 29.793 -3.963 25852 6799 1 10 . 1 1 120 120 GLU H H 120 7.659 7.659 8.222 -0.563 25852 6800 1 10 . 1 1 121 121 VAL N N 121 122.512 122.512 120.063 2.449 25852 6801 1 10 . 1 1 121 121 VAL HA H 121 3.385 3.385 4.011 -0.626 25852 6802 1 10 . 1 1 121 121 VAL CA C 121 64.090 64.090 64.562 -0.472 25852 6803 1 10 . 1 1 121 121 VAL CB C 121 28.680 28.680 33.221 -4.541 25852 6804 1 10 . 1 1 121 121 VAL H H 121 7.887 7.887 8.006 -0.119 25852 6805 1 10 . 1 1 122 122 ASP N N 122 119.993 119.993 117.753 2.240 25852 6806 1 10 . 1 1 122 122 ASP HA H 122 4.157 4.157 4.465 -0.308 25852 6807 1 10 . 1 1 122 122 ASP CA C 122 54.901 54.901 55.150 -0.249 25852 6808 1 10 . 1 1 122 122 ASP CB C 122 37.572 37.572 39.386 -1.814 25852 6809 1 10 . 1 1 122 122 ASP H H 122 7.973 7.973 7.859 0.114 25852 6810 1 10 . 1 1 123 123 GLU N N 123 119.521 119.521 114.752 4.769 25852 6811 1 10 . 1 1 123 123 GLU HA H 123 3.880 3.880 4.296 -0.416 25852 6812 1 10 . 1 1 123 123 GLU CA C 123 56.612 56.612 56.590 0.022 25852 6813 1 10 . 1 1 123 123 GLU CB C 123 26.172 26.172 30.053 -3.881 25852 6814 1 10 . 1 1 123 123 GLU H H 123 7.903 7.903 7.314 0.589 25852 6815 1 10 . 1 1 124 124 MET N N 124 118.961 118.961 120.786 -1.825 25852 6816 1 10 . 1 1 124 124 MET HA H 124 3.892 3.892 4.180 -0.288 25852 6817 1 10 . 1 1 124 124 MET CA C 124 56.905 56.905 58.792 -1.887 25852 6818 1 10 . 1 1 124 124 MET CB C 124 29.250 29.250 32.601 -3.351 25852 6819 1 10 . 1 1 124 124 MET H H 124 7.496 7.496 7.647 -0.151 25852 6820 1 10 . 1 1 125 125 ILE N N 125 117.801 117.801 118.049 -0.248 25852 6821 1 10 . 1 1 125 125 ILE HA H 125 3.409 3.409 3.853 -0.444 25852 6822 1 10 . 1 1 125 125 ILE CA C 125 60.131 60.131 64.423 -4.292 25852 6823 1 10 . 1 1 125 125 ILE CB C 125 33.240 33.240 38.041 -4.801 25852 6824 1 10 . 1 1 125 125 ILE H H 125 7.762 7.762 7.409 0.353 25852 6825 1 10 . 1 1 126 126 ARG N N 126 117.729 117.729 118.699 -0.970 25852 6826 1 10 . 1 1 126 126 ARG HA H 126 3.883 3.883 3.935 -0.052 25852 6827 1 10 . 1 1 126 126 ARG CA C 126 56.673 56.673 59.398 -2.725 25852 6828 1 10 . 1 1 126 126 ARG CB C 126 29.478 29.478 29.854 -0.376 25852 6829 1 10 . 1 1 126 126 ARG H H 126 8.055 8.055 8.608 -0.553 25852 6830 1 10 . 1 1 127 127 GLU N N 127 117.539 117.539 116.171 1.368 25852 6831 1 10 . 1 1 127 127 GLU HA H 127 3.861 3.861 4.168 -0.307 25852 6832 1 10 . 1 1 127 127 GLU CA C 127 56.319 56.319 58.114 -1.795 25852 6833 1 10 . 1 1 127 127 GLU CB C 127 26.286 26.286 29.599 -3.312 25852 6834 1 10 . 1 1 127 127 GLU H H 127 7.700 7.700 7.881 -0.181 25852 6835 1 10 . 1 1 128 128 ALA N N 128 116.677 116.677 120.317 -3.640 25852 6836 1 10 . 1 1 128 128 ALA HA H 128 4.500 4.500 4.337 0.163 25852 6837 1 10 . 1 1 128 128 ALA CA C 128 48.205 48.205 52.228 -4.024 25852 6838 1 10 . 1 1 128 128 ALA CB C 128 19.633 19.633 20.459 -0.826 25852 6839 1 10 . 1 1 128 128 ALA H H 128 7.223 7.223 7.560 -0.337 25852 6840 1 10 . 1 1 129 129 ASP N N 129 118.030 118.030 118.844 -0.814 25852 6841 1 10 . 1 1 129 129 ASP HA H 129 4.460 4.460 4.855 -0.395 25852 6842 1 10 . 1 1 129 129 ASP CA C 129 51.485 51.485 56.310 -4.825 25852 6843 1 10 . 1 1 129 129 ASP CB C 129 38.195 38.195 41.200 -3.005 25852 6844 1 10 . 1 1 129 129 ASP H H 129 7.895 7.895 8.281 -0.386 25852 6845 1 10 . 1 1 130 130 ILE N N 130 127.693 127.693 125.785 1.908 25852 6846 1 10 . 1 1 130 130 ILE HA H 130 3.797 3.797 3.990 -0.193 25852 6847 1 10 . 1 1 130 130 ILE CA C 130 60.522 60.522 63.298 -2.776 25852 6848 1 10 . 1 1 130 130 ILE CB C 130 36.090 36.090 38.730 -2.640 25852 6849 1 10 . 1 1 130 130 ILE H H 130 8.148 8.148 9.003 -0.855 25852 6850 1 10 . 1 1 131 131 ASP N N 131 116.409 116.409 117.757 -1.348 25852 6851 1 10 . 1 1 131 131 ASP HA H 131 4.376 4.376 4.666 -0.290 25852 6852 1 10 . 1 1 131 131 ASP CA C 131 51.187 51.187 54.797 -3.610 25852 6853 1 10 . 1 1 131 131 ASP CB C 131 37.468 37.468 42.541 -5.073 25852 6854 1 10 . 1 1 131 131 ASP H H 131 8.288 8.288 7.980 0.308 25852 6855 1 10 . 1 1 132 132 GLY N N 132 108.363 108.363 108.948 -0.585 25852 6856 1 10 . 1 1 132 132 GLY CA C 132 44.638 44.638 45.447 -0.809 25852 6857 1 10 . 1 1 132 132 GLY H H 132 7.630 7.630 7.759 -0.129 25852 6858 1 10 . 1 1 133 133 ASP N N 133 120.183 120.183 120.360 -0.177 25852 6859 1 10 . 1 1 133 133 ASP HA H 133 4.329 4.329 4.566 -0.237 25852 6860 1 10 . 1 1 133 133 ASP CA C 133 50.942 50.942 55.265 -4.323 25852 6861 1 10 . 1 1 133 133 ASP CB C 133 37.458 37.458 41.581 -4.123 25852 6862 1 10 . 1 1 133 133 ASP H H 133 8.298 8.298 8.706 -0.408 25852 6863 1 10 . 1 1 134 134 GLY N N 134 112.149 112.149 106.775 5.374 25852 6864 1 10 . 1 1 134 134 GLY CA C 134 43.122 43.122 45.070 -1.948 25852 6865 1 10 . 1 1 134 134 GLY H H 134 10.079 10.079 7.941 2.138 25852 6866 1 10 . 1 1 135 135 GLN N N 135 115.069 115.069 117.905 -2.836 25852 6867 1 10 . 1 1 135 135 GLN HA H 135 4.844 4.844 4.678 0.166 25852 6868 1 10 . 1 1 135 135 GLN CA C 135 50.454 50.454 54.419 -3.965 25852 6869 1 10 . 1 1 135 135 GLN CB C 135 30.614 30.614 31.047 -0.433 25852 6870 1 10 . 1 1 135 135 GLN H H 135 7.922 7.922 7.756 0.166 25852 6871 1 10 . 1 1 136 136 VAL N N 136 125.107 125.107 127.076 -1.969 25852 6872 1 10 . 1 1 136 136 VAL HA H 136 5.096 5.096 4.537 0.559 25852 6873 1 10 . 1 1 136 136 VAL CA C 136 58.713 58.713 63.401 -4.688 25852 6874 1 10 . 1 1 136 136 VAL CB C 136 31.416 31.416 32.396 -0.980 25852 6875 1 10 . 1 1 136 136 VAL H H 136 9.046 9.046 8.181 0.865 25852 6876 1 10 . 1 1 137 137 ASN N N 137 128.858 128.858 126.995 1.863 25852 6877 1 10 . 1 1 137 137 ASN HA H 137 5.226 5.226 4.884 0.342 25852 6878 1 10 . 1 1 137 137 ASN CA C 137 48.352 48.352 52.940 -4.588 25852 6879 1 10 . 1 1 137 137 ASN CB C 137 35.640 35.640 39.530 -3.890 25852 6880 1 10 . 1 1 137 137 ASN H H 137 9.458 9.458 9.105 0.353 25852 6881 1 10 . 1 1 138 138 TYR N N 138 118.481 118.481 120.432 -1.951 25852 6882 1 10 . 1 1 138 138 TYR HA H 138 3.603 3.603 4.077 -0.474 25852 6883 1 10 . 1 1 138 138 TYR CA C 138 59.669 59.669 62.627 -2.958 25852 6884 1 10 . 1 1 138 138 TYR CB C 138 37.572 37.572 37.724 -0.152 25852 6885 1 10 . 1 1 138 138 TYR H H 138 8.235 8.235 8.801 -0.566 25852 6886 1 10 . 1 1 139 139 GLU N N 139 118.474 118.474 118.379 0.095 25852 6887 1 10 . 1 1 139 139 GLU HA H 139 3.868 3.868 4.105 -0.237 25852 6888 1 10 . 1 1 139 139 GLU CA C 139 57.540 57.540 59.362 -1.822 25852 6889 1 10 . 1 1 139 139 GLU CB C 139 26.274 26.274 28.594 -2.320 25852 6890 1 10 . 1 1 139 139 GLU H H 139 8.067 8.067 9.084 -1.017 25852 6891 1 10 . 1 1 140 140 GLU N N 140 119.279 119.279 119.644 -0.365 25852 6892 1 10 . 1 1 140 140 GLU HA H 140 3.880 3.880 4.333 -0.453 25852 6893 1 10 . 1 1 140 140 GLU CA C 140 56.025 56.025 58.373 -2.348 25852 6894 1 10 . 1 1 140 140 GLU CB C 140 26.274 26.274 29.676 -3.402 25852 6895 1 10 . 1 1 140 140 GLU H H 140 8.742 8.742 8.521 0.221 25852 6896 1 10 . 1 1 141 141 PHE N N 141 124.141 124.141 119.829 4.312 25852 6897 1 10 . 1 1 141 141 PHE HA H 141 3.602 3.602 4.188 -0.586 25852 6898 1 10 . 1 1 141 141 PHE CA C 141 59.447 59.447 60.780 -1.333 25852 6899 1 10 . 1 1 141 141 PHE CB C 141 37.686 37.686 39.351 -1.665 25852 6900 1 10 . 1 1 141 141 PHE H H 141 8.593 8.593 7.832 0.761 25852 6901 1 10 . 1 1 142 142 VAL N N 142 118.383 118.383 117.317 1.066 25852 6902 1 10 . 1 1 142 142 VAL HA H 142 2.986 2.986 3.886 -0.900 25852 6903 1 10 . 1 1 142 142 VAL CA C 142 64.432 64.432 65.711 -1.279 25852 6904 1 10 . 1 1 142 142 VAL CB C 142 28.908 28.908 31.790 -2.882 25852 6905 1 10 . 1 1 142 142 VAL H H 142 8.776 8.776 8.075 0.701 25852 6906 1 10 . 1 1 143 143 GLN N N 143 119.891 119.891 120.309 -0.418 25852 6907 1 10 . 1 1 143 143 GLN HA H 143 3.671 3.671 4.171 -0.500 25852 6908 1 10 . 1 1 143 143 GLN CA C 143 56.514 56.514 58.381 -1.867 25852 6909 1 10 . 1 1 143 143 GLN CB C 143 25.246 25.246 28.069 -2.823 25852 6910 1 10 . 1 1 143 143 GLN H H 143 7.787 7.787 8.107 -0.320 25852 6911 1 10 . 1 1 144 144 MET N N 144 118.429 118.429 116.206 2.223 25852 6912 1 10 . 1 1 144 144 MET HA H 144 3.892 3.892 4.289 -0.397 25852 6913 1 10 . 1 1 144 144 MET CA C 144 55.683 55.683 57.907 -2.224 25852 6914 1 10 . 1 1 144 144 MET CB C 144 28.110 28.110 32.071 -3.961 25852 6915 1 10 . 1 1 144 144 MET H H 144 7.450 7.450 7.586 -0.136 25852 6916 1 10 . 1 1 145 145 MET N N 145 114.145 114.145 115.907 -1.762 25852 6917 1 10 . 1 1 145 145 MET HA H 145 3.905 3.905 4.373 -0.468 25852 6918 1 10 . 1 1 145 145 MET CA C 145 53.630 53.630 57.075 -3.446 25852 6919 1 10 . 1 1 145 145 MET CB C 145 29.592 29.592 32.730 -3.138 25852 6920 1 10 . 1 1 145 145 MET H H 145 7.724 7.724 7.915 -0.191 25852 6921 1 10 . 1 1 146 146 THR N N 146 108.482 108.482 113.465 -4.983 25852 6922 1 10 . 1 1 146 146 THR HA H 146 4.170 4.170 4.389 -0.219 25852 6923 1 10 . 1 1 146 146 THR CA C 146 59.251 59.251 63.618 -4.367 25852 6924 1 10 . 1 1 146 146 THR CB C 146 67.896 67.896 69.683 -1.787 25852 6925 1 10 . 1 1 146 146 THR H H 146 7.700 7.700 7.735 -0.035 25852 6926 1 10 . 1 1 147 147 ALA N N 147 126.469 126.469 123.631 2.838 25852 6927 1 10 . 1 1 147 147 ALA HA H 147 4.095 4.095 4.085 0.010 25852 6928 1 10 . 1 1 147 147 ALA CA C 147 50.307 50.307 53.275 -2.968 25852 6929 1 10 . 1 1 147 147 ALA CB C 147 16.336 16.336 18.832 -2.496 25852 6930 1 10 . 1 1 147 147 ALA H H 147 7.291 7.291 8.592 -1.301 25852 6931 1 11 . 1 1 3 3 GLN N N 3 118.120 118.120 117.715 0.405 25852 6932 1 11 . 1 1 3 3 GLN HA H 3 4.688 4.688 4.265 0.423 25852 6933 1 11 . 1 1 3 3 GLN CA C 3 53.500 53.500 55.664 -2.164 25852 6934 1 11 . 1 1 3 3 GLN CB C 3 29.475 29.475 29.633 -0.157 25852 6935 1 11 . 1 1 3 3 GLN H H 3 8.134 8.134 8.082 0.052 25852 6936 1 11 . 1 1 4 4 LEU N N 4 121.407 121.407 119.945 1.462 25852 6937 1 11 . 1 1 4 4 LEU HA H 4 4.460 4.460 4.636 -0.176 25852 6938 1 11 . 1 1 4 4 LEU CA C 4 51.650 51.650 53.477 -1.827 25852 6939 1 11 . 1 1 4 4 LEU CB C 4 40.715 40.715 42.894 -2.179 25852 6940 1 11 . 1 1 4 4 LEU H H 4 8.202 8.202 8.391 -0.189 25852 6941 1 11 . 1 1 5 5 THR N N 5 112.733 112.733 109.363 3.370 25852 6942 1 11 . 1 1 5 5 THR HA H 5 4.265 4.265 4.582 -0.317 25852 6943 1 11 . 1 1 5 5 THR CA C 5 59.433 59.433 59.848 -0.415 25852 6944 1 11 . 1 1 5 5 THR CB C 5 67.475 67.475 71.159 -3.684 25852 6945 1 11 . 1 1 5 5 THR H H 5 8.691 8.691 7.703 0.988 25852 6946 1 11 . 1 1 6 6 GLU N N 6 119.971 119.971 121.660 -1.689 25852 6947 1 11 . 1 1 6 6 GLU HA H 6 3.854 3.854 3.903 -0.049 25852 6948 1 11 . 1 1 6 6 GLU CA C 6 56.756 56.756 59.722 -2.966 25852 6949 1 11 . 1 1 6 6 GLU CB C 6 26.508 26.508 29.724 -3.216 25852 6950 1 11 . 1 1 6 6 GLU H H 6 8.953 8.953 8.929 0.024 25852 6951 1 11 . 1 1 7 7 GLU N N 7 119.133 119.133 118.266 0.867 25852 6952 1 11 . 1 1 7 7 GLU HA H 7 3.898 3.898 3.937 -0.039 25852 6953 1 11 . 1 1 7 7 GLU CA C 7 56.756 56.756 59.121 -2.365 25852 6954 1 11 . 1 1 7 7 GLU CB C 7 26.279 26.279 28.589 -2.310 25852 6955 1 11 . 1 1 7 7 GLU H H 7 8.653 8.653 8.591 0.062 25852 6956 1 11 . 1 1 8 8 GLN N N 8 120.207 120.207 118.117 2.090 25852 6957 1 11 . 1 1 8 8 GLN HA H 8 3.957 3.957 4.207 -0.250 25852 6958 1 11 . 1 1 8 8 GLN CA C 8 57.099 57.099 58.736 -1.637 25852 6959 1 11 . 1 1 8 8 GLN CB C 8 26.737 26.737 28.480 -1.743 25852 6960 1 11 . 1 1 8 8 GLN H H 8 7.645 7.645 8.256 -0.611 25852 6961 1 11 . 1 1 9 9 ILE N N 9 118.171 118.171 120.278 -2.107 25852 6962 1 11 . 1 1 9 9 ILE HA H 9 3.354 3.354 3.982 -0.628 25852 6963 1 11 . 1 1 9 9 ILE CA C 9 62.714 62.714 64.264 -1.550 25852 6964 1 11 . 1 1 9 9 ILE CB C 9 35.216 35.216 37.669 -2.453 25852 6965 1 11 . 1 1 9 9 ILE H H 9 8.153 8.153 7.961 0.192 25852 6966 1 11 . 1 1 10 10 ALA N N 10 120.124 120.124 121.015 -0.891 25852 6967 1 11 . 1 1 10 10 ALA HA H 10 3.966 3.966 4.246 -0.280 25852 6968 1 11 . 1 1 10 10 ALA CA C 10 52.746 52.746 54.528 -1.782 25852 6969 1 11 . 1 1 10 10 ALA CB C 10 15.165 15.165 19.366 -4.201 25852 6970 1 11 . 1 1 10 10 ALA H H 10 7.835 7.835 8.267 -0.432 25852 6971 1 11 . 1 1 11 11 GLU N N 11 119.983 119.983 115.113 4.870 25852 6972 1 11 . 1 1 11 11 GLU HA H 11 3.904 3.904 4.911 -1.007 25852 6973 1 11 . 1 1 11 11 GLU CA C 11 56.560 56.560 56.344 0.216 25852 6974 1 11 . 1 1 11 11 GLU CB C 11 27.425 27.425 32.325 -4.900 25852 6975 1 11 . 1 1 11 11 GLU H H 11 7.706 7.706 8.129 -0.423 25852 6976 1 11 . 1 1 12 12 PHE N N 12 119.907 119.907 121.852 -1.945 25852 6977 1 11 . 1 1 12 12 PHE HA H 12 4.726 4.726 4.832 -0.106 25852 6978 1 11 . 1 1 12 12 PHE CA C 12 55.839 55.839 60.903 -5.064 25852 6979 1 11 . 1 1 12 12 PHE CB C 12 33.955 33.955 39.439 -5.484 25852 6980 1 11 . 1 1 12 12 PHE H H 12 8.728 8.728 8.734 -0.006 25852 6981 1 11 . 1 1 13 13 LYS N N 13 121.208 121.208 120.421 0.787 25852 6982 1 11 . 1 1 13 13 LYS HA H 13 3.904 3.904 3.611 0.293 25852 6983 1 11 . 1 1 13 13 LYS CA C 13 57.290 57.290 58.731 -1.441 25852 6984 1 11 . 1 1 13 13 LYS CB C 13 30.174 30.174 32.174 -2.000 25852 6985 1 11 . 1 1 13 13 LYS H H 13 9.161 9.161 7.759 1.402 25852 6986 1 11 . 1 1 14 14 GLU N N 14 120.226 120.226 120.990 -0.764 25852 6987 1 11 . 1 1 14 14 GLU HA H 14 3.953 3.953 4.220 -0.267 25852 6988 1 11 . 1 1 14 14 GLU CA C 14 56.460 56.460 58.963 -2.503 25852 6989 1 11 . 1 1 14 14 GLU CB C 14 26.623 26.623 29.254 -2.631 25852 6990 1 11 . 1 1 14 14 GLU H H 14 7.980 7.980 8.061 -0.081 25852 6991 1 11 . 1 1 15 15 ALA N N 15 120.572 120.572 121.846 -1.274 25852 6992 1 11 . 1 1 15 15 ALA HA H 15 4.170 4.170 4.150 0.020 25852 6993 1 11 . 1 1 15 15 ALA CA C 15 52.750 52.750 54.718 -1.968 25852 6994 1 11 . 1 1 15 15 ALA CB C 15 16.425 16.425 18.519 -2.094 25852 6995 1 11 . 1 1 15 15 ALA H H 15 7.563 7.563 8.548 -0.985 25852 6996 1 11 . 1 1 16 16 PHE N N 16 117.784 117.784 116.428 1.356 25852 6997 1 11 . 1 1 16 16 PHE HA H 16 3.904 3.904 4.927 -1.023 25852 6998 1 11 . 1 1 16 16 PHE CA C 16 59.540 59.540 60.153 -0.613 25852 6999 1 11 . 1 1 16 16 PHE CB C 16 36.820 36.820 40.705 -3.885 25852 7000 1 11 . 1 1 16 16 PHE H H 16 8.453 8.453 7.498 0.955 25852 7001 1 11 . 1 1 17 17 SER N N 17 110.774 110.774 115.908 -5.134 25852 7002 1 11 . 1 1 17 17 SER HA H 17 4.086 4.086 4.458 -0.372 25852 7003 1 11 . 1 1 17 17 SER CA C 17 58.560 58.560 60.539 -1.979 25852 7004 1 11 . 1 1 17 17 SER CB C 17 60.651 60.651 63.241 -2.590 25852 7005 1 11 . 1 1 17 17 SER H H 17 8.351 8.351 8.355 -0.004 25852 7006 1 11 . 1 1 18 18 LEU N N 18 120.947 120.947 121.463 -0.516 25852 7007 1 11 . 1 1 18 18 LEU HA H 18 3.614 3.614 4.089 -0.475 25852 7008 1 11 . 1 1 18 18 LEU CA C 18 55.839 55.839 58.032 -2.193 25852 7009 1 11 . 1 1 18 18 LEU CB C 18 39.111 39.111 42.484 -3.373 25852 7010 1 11 . 1 1 18 18 LEU H H 18 7.278 7.278 8.484 -1.206 25852 7011 1 11 . 1 1 19 19 PHE N N 19 114.458 114.458 115.410 -0.952 25852 7012 1 11 . 1 1 19 19 PHE HA H 19 3.904 3.904 4.548 -0.644 25852 7013 1 11 . 1 1 19 19 PHE CA C 19 56.870 56.870 57.752 -0.882 25852 7014 1 11 . 1 1 19 19 PHE CB C 19 33.841 33.841 41.933 -8.092 25852 7015 1 11 . 1 1 19 19 PHE H H 19 7.304 7.304 7.590 -0.286 25852 7016 1 11 . 1 1 20 20 ASP N N 20 122.233 122.233 122.284 -0.051 25852 7017 1 11 . 1 1 20 20 ASP HA H 20 4.874 4.874 4.710 0.164 25852 7018 1 11 . 1 1 20 20 ASP CA C 20 50.454 50.454 54.127 -3.673 25852 7019 1 11 . 1 1 20 20 ASP CB C 20 37.622 37.622 39.203 -1.581 25852 7020 1 11 . 1 1 20 20 ASP H H 20 7.233 7.233 8.117 -0.884 25852 7021 1 11 . 1 1 21 21 LYS N N 21 123.433 123.433 122.307 1.126 25852 7022 1 11 . 1 1 21 21 LYS HA H 21 3.771 3.771 4.208 -0.437 25852 7023 1 11 . 1 1 21 21 LYS CA C 21 56.025 56.025 58.387 -2.362 25852 7024 1 11 . 1 1 21 21 LYS CB C 21 29.601 29.601 32.480 -2.879 25852 7025 1 11 . 1 1 21 21 LYS H H 21 8.007 8.007 7.859 0.148 25852 7026 1 11 . 1 1 22 22 ASP N N 22 116.890 116.890 119.391 -2.501 25852 7027 1 11 . 1 1 22 22 ASP HA H 22 4.400 4.400 4.546 -0.146 25852 7028 1 11 . 1 1 22 22 ASP CA C 22 50.683 50.683 54.714 -4.031 25852 7029 1 11 . 1 1 22 22 ASP CB C 22 37.049 37.049 41.054 -4.005 25852 7030 1 11 . 1 1 22 22 ASP H H 22 8.641 8.641 8.333 0.308 25852 7031 1 11 . 1 1 23 23 GLY N N 23 110.068 110.068 106.508 3.560 25852 7032 1 11 . 1 1 23 23 GLY CA C 23 43.745 43.745 45.428 -1.683 25852 7033 1 11 . 1 1 23 23 GLY H H 23 7.938 7.938 8.115 -0.177 25852 7034 1 11 . 1 1 24 24 ASP N N 24 120.219 120.219 120.371 -0.152 25852 7035 1 11 . 1 1 24 24 ASP HA H 24 4.367 4.367 4.691 -0.324 25852 7036 1 11 . 1 1 24 24 ASP CA C 24 51.040 51.040 53.891 -2.851 25852 7037 1 11 . 1 1 24 24 ASP CB C 24 37.438 37.438 41.097 -3.659 25852 7038 1 11 . 1 1 24 24 ASP H H 24 8.723 8.723 8.377 0.346 25852 7039 1 11 . 1 1 25 25 GLY N N 25 111.889 111.889 109.429 2.460 25852 7040 1 11 . 1 1 25 25 GLY CA C 25 42.680 42.680 46.385 -3.705 25852 7041 1 11 . 1 1 25 25 GLY H H 25 10.132 10.132 8.207 1.925 25852 7042 1 11 . 1 1 26 26 THR N N 26 109.844 109.844 117.212 -7.368 25852 7043 1 11 . 1 1 26 26 THR HA H 26 5.386 5.386 4.921 0.465 25852 7044 1 11 . 1 1 26 26 THR CA C 26 56.950 56.950 60.597 -3.647 25852 7045 1 11 . 1 1 26 26 THR CB C 26 70.234 70.234 71.001 -0.767 25852 7046 1 11 . 1 1 26 26 THR H H 26 7.507 7.507 8.109 -0.602 25852 7047 1 11 . 1 1 27 27 ILE N N 27 110.289 110.289 117.558 -7.269 25852 7048 1 11 . 1 1 27 27 ILE HA H 27 3.891 3.891 4.594 -0.703 25852 7049 1 11 . 1 1 27 27 ILE CA C 27 58.360 58.360 58.744 -0.384 25852 7050 1 11 . 1 1 27 27 ILE CB C 27 35.559 35.559 41.175 -5.616 25852 7051 1 11 . 1 1 27 27 ILE H H 27 8.191 8.191 7.778 0.413 25852 7052 1 11 . 1 1 28 28 THR N N 28 110.507 110.507 114.228 -3.721 25852 7053 1 11 . 1 1 28 28 THR HA H 28 4.895 4.895 4.217 0.678 25852 7054 1 11 . 1 1 28 28 THR CA C 28 57.787 57.787 62.378 -4.591 25852 7055 1 11 . 1 1 28 28 THR CB C 28 68.099 68.099 69.385 -1.286 25852 7056 1 11 . 1 1 28 28 THR H H 28 8.265 8.265 8.276 -0.011 25852 7057 1 11 . 1 1 29 29 THR N N 29 112.331 112.331 116.631 -4.300 25852 7058 1 11 . 1 1 29 29 THR HA H 29 3.941 3.941 3.958 -0.017 25852 7059 1 11 . 1 1 29 29 THR CA C 29 63.840 63.840 66.230 -2.390 25852 7060 1 11 . 1 1 29 29 THR CB C 29 65.807 65.807 68.593 -2.786 25852 7061 1 11 . 1 1 29 29 THR H H 29 8.225 8.225 8.719 -0.494 25852 7062 1 11 . 1 1 30 30 LYS N N 30 118.985 118.985 119.255 -0.270 25852 7063 1 11 . 1 1 30 30 LYS HA H 30 3.965 3.965 3.985 -0.020 25852 7064 1 11 . 1 1 30 30 LYS CA C 30 55.839 55.839 59.051 -3.212 25852 7065 1 11 . 1 1 30 30 LYS CB C 30 29.372 29.372 31.932 -2.560 25852 7066 1 11 . 1 1 30 30 LYS H H 30 7.559 7.559 8.542 -0.983 25852 7067 1 11 . 1 1 31 31 GLU N N 31 117.233 117.233 116.240 0.993 25852 7068 1 11 . 1 1 31 31 GLU HA H 31 3.965 3.965 4.092 -0.127 25852 7069 1 11 . 1 1 31 31 GLU CA C 31 57.140 57.140 57.022 0.118 25852 7070 1 11 . 1 1 31 31 GLU CB C 31 26.393 26.393 29.774 -3.381 25852 7071 1 11 . 1 1 31 31 GLU H H 31 7.431 7.431 7.679 -0.248 25852 7072 1 11 . 1 1 32 32 LEU N N 32 120.701 120.701 122.723 -2.022 25852 7073 1 11 . 1 1 32 32 LEU HA H 32 3.880 3.880 3.822 0.058 25852 7074 1 11 . 1 1 32 32 LEU CA C 32 55.520 55.520 57.745 -2.225 25852 7075 1 11 . 1 1 32 32 LEU CB C 32 39.226 39.226 41.107 -1.881 25852 7076 1 11 . 1 1 32 32 LEU H H 32 7.270 7.270 8.131 -0.861 25852 7077 1 11 . 1 1 33 33 GLY N N 33 105.217 105.217 105.548 -0.331 25852 7078 1 11 . 1 1 33 33 GLY CA C 33 45.642 45.642 47.450 -1.808 25852 7079 1 11 . 1 1 33 33 GLY H H 33 8.737 8.737 7.980 0.757 25852 7080 1 11 . 1 1 34 34 THR N N 34 118.196 118.196 118.193 0.003 25852 7081 1 11 . 1 1 34 34 THR HA H 34 3.916 3.916 4.160 -0.244 25852 7082 1 11 . 1 1 34 34 THR CA C 34 63.859 63.859 65.931 -2.072 25852 7083 1 11 . 1 1 34 34 THR CB C 34 65.807 65.807 68.711 -2.904 25852 7084 1 11 . 1 1 34 34 THR H H 34 7.446 7.446 7.473 -0.027 25852 7085 1 11 . 1 1 35 35 VAL N N 35 122.546 122.546 121.358 1.188 25852 7086 1 11 . 1 1 35 35 VAL HA H 35 3.373 3.373 3.829 -0.456 25852 7087 1 11 . 1 1 35 35 VAL CA C 35 64.088 64.088 65.348 -1.260 25852 7088 1 11 . 1 1 35 35 VAL CB C 35 28.799 28.799 30.884 -2.085 25852 7089 1 11 . 1 1 35 35 VAL H H 35 7.889 7.889 7.408 0.481 25852 7090 1 11 . 1 1 36 36 MET N N 36 118.307 118.307 117.630 0.677 25852 7091 1 11 . 1 1 36 36 MET HA H 36 3.880 3.880 4.325 -0.445 25852 7092 1 11 . 1 1 36 36 MET CA C 36 56.870 56.870 56.693 0.177 25852 7093 1 11 . 1 1 36 36 MET CB C 36 26.279 26.279 32.212 -5.933 25852 7094 1 11 . 1 1 36 36 MET H H 36 8.386 8.386 8.074 0.312 25852 7095 1 11 . 1 1 37 37 ARG N N 37 119.233 119.233 118.179 1.054 25852 7096 1 11 . 1 1 37 37 ARG HA H 37 3.904 3.904 4.356 -0.452 25852 7097 1 11 . 1 1 37 37 ARG CA C 37 56.170 56.170 55.789 0.381 25852 7098 1 11 . 1 1 37 37 ARG CB C 37 27.310 27.310 29.257 -1.947 25852 7099 1 11 . 1 1 37 37 ARG H H 37 8.451 8.451 8.180 0.271 25852 7100 1 11 . 1 1 38 38 SER N N 38 118.720 118.720 115.746 2.974 25852 7101 1 11 . 1 1 38 38 SER HA H 38 4.176 4.176 4.327 -0.151 25852 7102 1 11 . 1 1 38 38 SER CA C 38 59.250 59.250 60.348 -1.098 25852 7103 1 11 . 1 1 38 38 SER CB C 38 67.411 67.411 62.789 4.622 25852 7104 1 11 . 1 1 38 38 SER H H 38 8.040 8.040 8.157 -0.117 25852 7105 1 11 . 1 1 39 39 LEU N N 39 120.896 120.896 119.838 1.058 25852 7106 1 11 . 1 1 39 39 LEU HA H 39 4.460 4.460 4.508 -0.048 25852 7107 1 11 . 1 1 39 39 LEU CA C 39 51.330 51.330 54.823 -3.493 25852 7108 1 11 . 1 1 39 39 LEU CB C 39 40.257 40.257 42.175 -1.918 25852 7109 1 11 . 1 1 39 39 LEU H H 39 7.263 7.263 7.373 -0.110 25852 7110 1 11 . 1 1 40 40 GLY N N 40 106.917 106.917 106.457 0.460 25852 7111 1 11 . 1 1 40 40 GLY CA C 40 42.880 42.880 44.556 -1.676 25852 7112 1 11 . 1 1 40 40 GLY H H 40 7.841 7.841 8.077 -0.236 25852 7113 1 11 . 1 1 41 41 GLN N N 41 117.171 117.171 120.195 -3.024 25852 7114 1 11 . 1 1 41 41 GLN HA H 41 4.243 4.243 4.379 -0.136 25852 7115 1 11 . 1 1 41 41 GLN CA C 41 52.631 52.631 55.519 -2.888 25852 7116 1 11 . 1 1 41 41 GLN CB C 41 30.747 30.747 29.751 0.996 25852 7117 1 11 . 1 1 41 41 GLN H H 41 7.687 7.687 7.808 -0.121 25852 7118 1 11 . 1 1 42 42 ASN N N 42 116.423 116.423 119.700 -3.277 25852 7119 1 11 . 1 1 42 42 ASN HA H 42 5.016 5.016 4.872 0.144 25852 7120 1 11 . 1 1 42 42 ASN CA C 42 48.640 48.640 51.501 -2.861 25852 7121 1 11 . 1 1 42 42 ASN CB C 42 36.591 36.591 39.605 -3.014 25852 7122 1 11 . 1 1 42 42 ASN H H 42 8.601 8.601 8.547 0.054 25852 7123 1 11 . 1 1 44 44 THR N N 44 113.033 113.033 117.412 -4.379 25852 7124 1 11 . 1 1 44 44 THR HA H 44 4.279 4.279 4.566 -0.287 25852 7125 1 11 . 1 1 44 44 THR CA C 44 57.640 57.640 59.354 -1.714 25852 7126 1 11 . 1 1 44 44 THR CB C 44 68.328 68.328 70.790 -2.462 25852 7127 1 11 . 1 1 44 44 THR H H 44 8.711 8.711 7.654 1.057 25852 7128 1 11 . 1 1 45 45 GLU N N 45 120.233 120.233 120.317 -0.084 25852 7129 1 11 . 1 1 45 45 GLU HA H 45 3.892 3.892 4.224 -0.332 25852 7130 1 11 . 1 1 45 45 GLU CA C 45 56.756 56.756 58.267 -1.511 25852 7131 1 11 . 1 1 45 45 GLU CB C 45 26.393 26.393 29.750 -3.357 25852 7132 1 11 . 1 1 45 45 GLU H H 45 8.781 8.781 8.921 -0.140 25852 7133 1 11 . 1 1 46 46 ALA N N 46 120.833 120.833 122.785 -1.952 25852 7134 1 11 . 1 1 46 46 ALA HA H 46 3.868 3.868 4.170 -0.302 25852 7135 1 11 . 1 1 46 46 ALA CA C 46 52.310 52.310 54.867 -2.557 25852 7136 1 11 . 1 1 46 46 ALA CB C 46 15.394 15.394 18.434 -3.040 25852 7137 1 11 . 1 1 46 46 ALA H H 46 8.251 8.251 7.630 0.621 25852 7138 1 11 . 1 1 47 47 GLU N N 47 118.672 118.672 117.235 1.437 25852 7139 1 11 . 1 1 47 47 GLU HA H 47 3.965 3.965 4.237 -0.272 25852 7140 1 11 . 1 1 47 47 GLU CA C 47 56.641 56.641 58.247 -1.606 25852 7141 1 11 . 1 1 47 47 GLU CB C 47 26.623 26.623 29.878 -3.255 25852 7142 1 11 . 1 1 47 47 GLU H H 47 7.668 7.668 8.470 -0.802 25852 7143 1 11 . 1 1 48 48 LEU N N 48 119.645 119.645 119.064 0.581 25852 7144 1 11 . 1 1 48 48 LEU HA H 48 3.892 3.892 4.183 -0.291 25852 7145 1 11 . 1 1 48 48 LEU CA C 48 55.610 55.610 57.353 -1.743 25852 7146 1 11 . 1 1 48 48 LEU CB C 48 39.340 39.340 41.486 -2.146 25852 7147 1 11 . 1 1 48 48 LEU H H 48 8.244 8.244 7.445 0.799 25852 7148 1 11 . 1 1 49 49 GLN N N 49 117.446 117.446 116.592 0.854 25852 7149 1 11 . 1 1 49 49 GLN HA H 49 3.892 3.892 4.375 -0.483 25852 7150 1 11 . 1 1 49 49 GLN CA C 49 56.756 56.756 57.250 -0.494 25852 7151 1 11 . 1 1 49 49 GLN CB C 49 26.508 26.508 29.386 -2.877 25852 7152 1 11 . 1 1 49 49 GLN H H 49 7.980 7.980 7.781 0.199 25852 7153 1 11 . 1 1 50 50 ASP N N 50 118.733 118.733 120.156 -1.423 25852 7154 1 11 . 1 1 50 50 ASP HA H 50 4.267 4.267 4.602 -0.335 25852 7155 1 11 . 1 1 50 50 ASP CA C 50 54.700 54.700 56.931 -2.231 25852 7156 1 11 . 1 1 50 50 ASP CB C 50 37.622 37.622 41.173 -3.551 25852 7157 1 11 . 1 1 50 50 ASP H H 50 7.761 7.761 7.615 0.146 25852 7158 1 11 . 1 1 51 51 MET N N 51 118.996 118.996 117.421 1.575 25852 7159 1 11 . 1 1 51 51 MET HA H 51 3.892 3.892 4.754 -0.862 25852 7160 1 11 . 1 1 51 51 MET CA C 51 56.560 56.560 57.595 -1.035 25852 7161 1 11 . 1 1 51 51 MET CB C 51 29.601 29.601 32.900 -3.299 25852 7162 1 11 . 1 1 51 51 MET H H 51 7.900 7.900 8.344 -0.444 25852 7163 1 11 . 1 1 52 52 ILE N N 52 118.833 118.833 117.378 1.455 25852 7164 1 11 . 1 1 52 52 ILE HA H 52 3.348 3.348 3.833 -0.485 25852 7165 1 11 . 1 1 52 52 ILE CA C 52 62.484 62.484 62.912 -0.428 25852 7166 1 11 . 1 1 52 52 ILE CB C 52 35.330 35.330 37.426 -2.096 25852 7167 1 11 . 1 1 52 52 ILE H H 52 8.261 8.261 8.158 0.103 25852 7168 1 11 . 1 1 53 53 ASN N N 53 117.296 117.296 114.578 2.718 25852 7169 1 11 . 1 1 53 53 ASN HA H 53 4.243 4.243 4.466 -0.223 25852 7170 1 11 . 1 1 53 53 ASN CA C 53 53.090 53.090 55.755 -2.665 25852 7171 1 11 . 1 1 53 53 ASN CB C 53 35.330 35.330 39.183 -3.853 25852 7172 1 11 . 1 1 53 53 ASN H H 53 8.186 8.186 8.124 0.062 25852 7173 1 11 . 1 1 54 54 GLU N N 54 117.133 117.133 118.104 -0.971 25852 7174 1 11 . 1 1 54 54 GLU HA H 54 3.965 3.965 4.214 -0.249 25852 7175 1 11 . 1 1 54 54 GLU CA C 54 56.412 56.412 58.485 -2.073 25852 7176 1 11 . 1 1 54 54 GLU CB C 54 26.508 26.508 30.160 -3.652 25852 7177 1 11 . 1 1 54 54 GLU H H 54 7.501 7.501 7.681 -0.180 25852 7178 1 11 . 1 1 55 55 VAL N N 55 112.928 112.928 120.883 -7.955 25852 7179 1 11 . 1 1 55 55 VAL HA H 55 4.194 4.194 4.044 0.150 25852 7180 1 11 . 1 1 55 55 VAL CA C 55 59.505 59.505 64.010 -4.505 25852 7181 1 11 . 1 1 55 55 VAL CB C 55 30.174 30.174 31.965 -1.791 25852 7182 1 11 . 1 1 55 55 VAL H H 55 7.575 7.575 8.207 -0.632 25852 7183 1 11 . 1 1 56 56 ASP N N 56 121.771 121.771 120.172 1.599 25852 7184 1 11 . 1 1 56 56 ASP HA H 56 4.388 4.388 4.486 -0.098 25852 7185 1 11 . 1 1 56 56 ASP CA C 56 50.990 50.990 54.248 -3.258 25852 7186 1 11 . 1 1 56 56 ASP CB C 56 36.820 36.820 39.430 -2.610 25852 7187 1 11 . 1 1 56 56 ASP H H 56 8.401 8.401 8.145 0.256 25852 7188 1 11 . 1 1 57 57 ALA N N 57 124.771 124.771 121.128 3.643 25852 7189 1 11 . 1 1 57 57 ALA HA H 57 4.001 4.001 4.269 -0.268 25852 7190 1 11 . 1 1 57 57 ALA CA C 57 52.402 52.402 53.514 -1.112 25852 7191 1 11 . 1 1 57 57 ALA CB C 57 15.280 15.280 18.995 -3.715 25852 7192 1 11 . 1 1 57 57 ALA H H 57 8.097 8.097 8.121 -0.024 25852 7193 1 11 . 1 1 58 58 ASP N N 58 114.518 114.518 119.631 -5.113 25852 7194 1 11 . 1 1 58 58 ASP HA H 58 4.400 4.400 4.534 -0.134 25852 7195 1 11 . 1 1 58 58 ASP CA C 58 50.798 50.798 54.451 -3.653 25852 7196 1 11 . 1 1 58 58 ASP CB C 58 36.934 36.934 41.271 -4.337 25852 7197 1 11 . 1 1 58 58 ASP H H 58 8.376 8.376 7.865 0.511 25852 7198 1 11 . 1 1 59 59 GLY N N 59 108.798 108.798 106.890 1.908 25852 7199 1 11 . 1 1 59 59 GLY CA C 59 44.490 44.490 45.313 -0.823 25852 7200 1 11 . 1 1 59 59 GLY H H 59 7.827 7.827 8.374 -0.547 25852 7201 1 11 . 1 1 60 60 ASN N N 60 119.696 119.696 118.063 1.633 25852 7202 1 11 . 1 1 60 60 ASN HA H 60 4.688 4.688 4.722 -0.034 25852 7203 1 11 . 1 1 60 60 ASN CA C 60 51.943 51.943 53.159 -1.216 25852 7204 1 11 . 1 1 60 60 ASN CB C 60 38.424 38.424 39.473 -1.049 25852 7205 1 11 . 1 1 60 60 ASN H H 60 9.253 9.253 8.356 0.897 25852 7206 1 11 . 1 1 61 61 GLY N N 61 110.108 110.108 109.725 0.383 25852 7207 1 11 . 1 1 61 61 GLY CA C 61 42.870 42.870 45.865 -2.995 25852 7208 1 11 . 1 1 61 61 GLY H H 61 10.004 10.004 8.474 1.530 25852 7209 1 11 . 1 1 62 62 THR N N 62 110.533 110.533 112.993 -2.460 25852 7210 1 11 . 1 1 62 62 THR HA H 62 4.629 4.629 4.595 0.034 25852 7211 1 11 . 1 1 62 62 THR CA C 62 59.162 59.162 61.094 -1.932 25852 7212 1 11 . 1 1 62 62 THR CB C 62 67.526 67.526 72.161 -4.635 25852 7213 1 11 . 1 1 62 62 THR H H 62 7.481 7.481 7.497 -0.016 25852 7214 1 11 . 1 1 63 63 ILE N N 63 118.533 118.533 122.841 -4.308 25852 7215 1 11 . 1 1 63 63 ILE HA H 63 3.783 3.783 4.350 -0.567 25852 7216 1 11 . 1 1 63 63 ILE CA C 63 60.537 60.537 60.001 0.536 25852 7217 1 11 . 1 1 63 63 ILE CB C 63 36.018 36.018 39.061 -3.043 25852 7218 1 11 . 1 1 63 63 ILE H H 63 8.820 8.820 9.146 -0.326 25852 7219 1 11 . 1 1 64 64 ASP N N 64 122.928 122.928 126.930 -4.002 25852 7220 1 11 . 1 1 64 64 ASP HA H 64 4.327 4.327 4.665 -0.338 25852 7221 1 11 . 1 1 64 64 ASP CA C 64 51.027 51.027 55.856 -4.829 25852 7222 1 11 . 1 1 64 64 ASP CB C 64 37.278 37.278 42.679 -5.401 25852 7223 1 11 . 1 1 64 64 ASP H H 64 8.380 8.380 8.548 -0.168 25852 7224 1 11 . 1 1 65 65 PHE N N 65 118.559 118.559 117.036 1.523 25852 7225 1 11 . 1 1 65 65 PHE HA H 65 3.880 3.880 4.682 -0.802 25852 7226 1 11 . 1 1 65 65 PHE CA C 65 56.870 56.870 61.305 -4.435 25852 7227 1 11 . 1 1 65 65 PHE CB C 65 33.497 33.497 36.478 -2.981 25852 7228 1 11 . 1 1 65 65 PHE H H 65 8.559 8.559 8.534 0.025 25852 7229 1 11 . 1 1 67 67 GLU N N 67 117.546 117.546 115.690 1.856 25852 7230 1 11 . 1 1 67 67 GLU HA H 67 3.904 3.904 4.183 -0.279 25852 7231 1 11 . 1 1 67 67 GLU CA C 67 56.870 56.870 57.843 -0.973 25852 7232 1 11 . 1 1 67 67 GLU CB C 67 26.623 26.623 29.843 -3.220 25852 7233 1 11 . 1 1 67 67 GLU H H 67 7.995 7.995 8.314 -0.319 25852 7234 1 11 . 1 1 68 68 PHE N N 68 122.032 122.032 117.197 4.835 25852 7235 1 11 . 1 1 68 68 PHE HA H 68 3.904 3.904 4.521 -0.617 25852 7236 1 11 . 1 1 68 68 PHE CA C 68 59.047 59.047 58.751 0.296 25852 7237 1 11 . 1 1 68 68 PHE CB C 68 36.934 36.934 38.508 -1.574 25852 7238 1 11 . 1 1 68 68 PHE H H 68 8.377 8.377 7.329 1.048 25852 7239 1 11 . 1 1 69 69 LEU N N 69 118.488 118.488 120.773 -2.285 25852 7240 1 11 . 1 1 69 69 LEU HA H 69 3.179 3.179 4.130 -0.951 25852 7241 1 11 . 1 1 69 69 LEU CA C 69 55.158 55.158 57.082 -1.924 25852 7242 1 11 . 1 1 69 69 LEU CB C 69 38.195 38.195 41.339 -3.144 25852 7243 1 11 . 1 1 69 69 LEU H H 69 8.393 8.393 7.242 1.151 25852 7244 1 11 . 1 1 70 70 THR N N 70 115.208 115.208 115.814 -0.606 25852 7245 1 11 . 1 1 70 70 THR HA H 70 3.638 3.638 3.837 -0.199 25852 7246 1 11 . 1 1 70 70 THR CA C 70 63.630 63.630 66.499 -2.869 25852 7247 1 11 . 1 1 70 70 THR CB C 70 65.578 65.578 68.453 -2.875 25852 7248 1 11 . 1 1 70 70 THR H H 70 7.658 7.658 8.056 -0.398 25852 7249 1 11 . 1 1 71 71 MET N N 71 121.221 121.221 118.891 2.330 25852 7250 1 11 . 1 1 71 71 MET HA H 71 3.892 3.892 4.342 -0.450 25852 7251 1 11 . 1 1 71 71 MET CA C 71 56.303 56.303 58.766 -2.463 25852 7252 1 11 . 1 1 71 71 MET CB C 71 29.831 29.831 32.379 -2.548 25852 7253 1 11 . 1 1 71 71 MET H H 71 7.653 7.653 7.565 0.088 25852 7254 1 11 . 1 1 72 72 MET N N 72 117.459 117.459 117.649 -0.190 25852 7255 1 11 . 1 1 72 72 MET HA H 72 3.892 3.892 4.429 -0.537 25852 7256 1 11 . 1 1 72 72 MET CA C 72 53.777 53.777 57.441 -3.664 25852 7257 1 11 . 1 1 72 72 MET CB C 72 29.029 29.029 32.612 -3.583 25852 7258 1 11 . 1 1 72 72 MET H H 72 7.956 7.956 7.322 0.634 25852 7259 1 11 . 1 1 73 73 ALA N N 73 120.856 120.856 122.048 -1.192 25852 7260 1 11 . 1 1 73 73 ALA HA H 73 3.868 3.868 4.110 -0.242 25852 7261 1 11 . 1 1 73 73 ALA CA C 73 52.402 52.402 54.931 -2.529 25852 7262 1 11 . 1 1 73 73 ALA CB C 73 15.280 15.280 18.780 -3.500 25852 7263 1 11 . 1 1 73 73 ALA H H 73 8.230 8.230 8.567 -0.337 25852 7264 1 11 . 1 1 74 74 ARG N N 74 116.530 116.530 116.251 0.279 25852 7265 1 11 . 1 1 74 74 ARG HA H 74 3.892 3.892 4.369 -0.477 25852 7266 1 11 . 1 1 74 74 ARG CA C 74 56.297 56.297 58.309 -2.013 25852 7267 1 11 . 1 1 74 74 ARG CB C 74 27.997 27.997 29.747 -1.750 25852 7268 1 11 . 1 1 74 74 ARG H H 74 7.409 7.409 8.291 -0.882 25852 7269 1 11 . 1 1 75 75 LYS N N 75 118.008 118.008 120.465 -2.457 25852 7270 1 11 . 1 1 75 75 LYS HA H 75 3.965 3.965 4.161 -0.196 25852 7271 1 11 . 1 1 75 75 LYS CA C 75 55.495 55.495 58.898 -3.403 25852 7272 1 11 . 1 1 75 75 LYS CB C 75 26.279 26.279 32.443 -6.164 25852 7273 1 11 . 1 1 75 75 LYS H H 75 7.657 7.657 7.769 -0.112 25852 7274 1 11 . 1 1 76 76 MET N N 76 117.646 117.646 112.991 4.655 25852 7275 1 11 . 1 1 76 76 MET HA H 76 4.146 4.146 4.618 -0.472 25852 7276 1 11 . 1 1 76 76 MET CA C 76 53.947 53.947 57.299 -3.352 25852 7277 1 11 . 1 1 76 76 MET CB C 76 29.487 29.487 34.810 -5.323 25852 7278 1 11 . 1 1 76 76 MET H H 76 7.883 7.883 7.497 0.386 25852 7279 1 11 . 1 1 77 77 LYS N N 77 120.334 120.334 118.659 1.675 25852 7280 1 11 . 1 1 77 77 LYS HA H 77 3.941 3.941 4.326 -0.385 25852 7281 1 11 . 1 1 77 77 LYS CA C 77 56.526 56.526 57.713 -1.187 25852 7282 1 11 . 1 1 77 77 LYS CB C 77 27.425 27.425 32.780 -5.355 25852 7283 1 11 . 1 1 77 77 LYS H H 77 7.658 7.658 8.166 -0.508 25852 7284 1 11 . 1 1 78 78 ASP N N 78 121.733 121.733 117.419 4.314 25852 7285 1 11 . 1 1 78 78 ASP HA H 78 4.194 4.194 4.707 -0.513 25852 7286 1 11 . 1 1 78 78 ASP CA C 78 52.516 52.516 54.454 -1.938 25852 7287 1 11 . 1 1 78 78 ASP CB C 78 40.028 40.028 42.328 -2.300 25852 7288 1 11 . 1 1 78 78 ASP H H 78 8.212 8.212 7.886 0.326 25852 7289 1 11 . 1 1 79 79 THR N N 79 114.651 114.651 116.173 -1.522 25852 7290 1 11 . 1 1 79 79 THR HA H 79 4.170 4.170 4.140 0.030 25852 7291 1 11 . 1 1 79 79 THR CA C 79 59.391 59.391 63.429 -4.038 25852 7292 1 11 . 1 1 79 79 THR CB C 79 67.067 67.067 68.185 -1.118 25852 7293 1 11 . 1 1 79 79 THR H H 79 8.048 8.048 7.820 0.228 25852 7294 1 11 . 1 1 80 80 ASP N N 80 122.484 122.484 127.470 -4.986 25852 7295 1 11 . 1 1 80 80 ASP HA H 80 4.363 4.363 4.585 -0.222 25852 7296 1 11 . 1 1 80 80 ASP CA C 80 50.850 50.850 54.188 -3.338 25852 7297 1 11 . 1 1 80 80 ASP CB C 80 36.705 36.705 42.523 -5.818 25852 7298 1 11 . 1 1 80 80 ASP H H 80 8.432 8.432 8.272 0.160 25852 7299 1 11 . 1 1 81 81 SER N N 81 117.135 117.135 119.075 -1.940 25852 7300 1 11 . 1 1 81 81 SER HA H 81 4.267 4.267 4.373 -0.106 25852 7301 1 11 . 1 1 81 81 SER CA C 81 56.870 56.870 59.796 -2.926 25852 7302 1 11 . 1 1 81 81 SER CB C 81 60.884 60.884 63.677 -2.793 25852 7303 1 11 . 1 1 81 81 SER H H 81 8.403 8.403 8.616 -0.213 25852 7304 1 11 . 1 1 82 82 GLU N N 82 121.723 121.723 121.656 0.067 25852 7305 1 11 . 1 1 82 82 GLU HA H 82 3.883 3.883 4.303 -0.420 25852 7306 1 11 . 1 1 82 82 GLU CA C 82 56.707 56.707 58.627 -1.920 25852 7307 1 11 . 1 1 82 82 GLU CB C 82 29.831 29.831 30.075 -0.244 25852 7308 1 11 . 1 1 82 82 GLU H H 82 8.443 8.443 8.278 0.165 25852 7309 1 11 . 1 1 83 83 GLU N N 83 119.259 119.259 119.585 -0.326 25852 7310 1 11 . 1 1 83 83 GLU HA H 83 3.883 3.883 4.185 -0.302 25852 7311 1 11 . 1 1 83 83 GLU CA C 83 56.606 56.606 58.560 -1.954 25852 7312 1 11 . 1 1 83 83 GLU CB C 83 29.364 29.364 29.590 -0.227 25852 7313 1 11 . 1 1 83 83 GLU H H 83 8.118 8.118 8.109 0.009 25852 7314 1 11 . 1 1 84 84 GLU N N 84 118.060 118.060 117.324 0.736 25852 7315 1 11 . 1 1 84 84 GLU HA H 84 3.871 3.871 4.546 -0.675 25852 7316 1 11 . 1 1 84 84 GLU CA C 84 56.606 56.606 58.111 -1.504 25852 7317 1 11 . 1 1 84 84 GLU CB C 84 25.817 25.817 29.825 -4.008 25852 7318 1 11 . 1 1 84 84 GLU H H 84 8.212 8.212 7.761 0.451 25852 7319 1 11 . 1 1 85 85 ILE N N 85 120.736 120.736 116.953 3.783 25852 7320 1 11 . 1 1 85 85 ILE HA H 85 3.678 3.678 4.120 -0.442 25852 7321 1 11 . 1 1 85 85 ILE CA C 85 62.484 62.484 64.351 -1.867 25852 7322 1 11 . 1 1 85 85 ILE CB C 85 35.445 35.445 38.693 -3.248 25852 7323 1 11 . 1 1 85 85 ILE H H 85 7.964 7.964 7.266 0.698 25852 7324 1 11 . 1 1 86 86 ARG N N 86 121.452 121.452 118.340 3.112 25852 7325 1 11 . 1 1 86 86 ARG HA H 86 3.989 3.989 4.093 -0.104 25852 7326 1 11 . 1 1 86 86 ARG CA C 86 56.985 56.985 59.110 -2.125 25852 7327 1 11 . 1 1 86 86 ARG CB C 86 26.856 26.856 29.638 -2.782 25852 7328 1 11 . 1 1 86 86 ARG H H 86 8.351 8.351 7.954 0.397 25852 7329 1 11 . 1 1 87 87 GLU N N 87 118.288 118.288 117.463 0.825 25852 7330 1 11 . 1 1 87 87 GLU HA H 87 3.861 3.861 4.331 -0.470 25852 7331 1 11 . 1 1 87 87 GLU CA C 87 56.606 56.606 58.112 -1.506 25852 7332 1 11 . 1 1 87 87 GLU CB C 87 25.817 25.817 30.017 -4.199 25852 7333 1 11 . 1 1 87 87 GLU H H 87 8.238 8.238 8.021 0.217 25852 7334 1 11 . 1 1 88 88 ALA N N 88 120.408 120.408 122.063 -1.655 25852 7335 1 11 . 1 1 88 88 ALA HA H 88 4.013 4.013 4.097 -0.084 25852 7336 1 11 . 1 1 88 88 ALA CA C 88 52.263 52.263 54.467 -2.204 25852 7337 1 11 . 1 1 88 88 ALA CB C 88 15.080 15.080 18.032 -2.952 25852 7338 1 11 . 1 1 88 88 ALA H H 88 7.960 7.960 7.628 0.332 25852 7339 1 11 . 1 1 89 89 PHE N N 89 118.123 118.123 115.454 2.669 25852 7340 1 11 . 1 1 89 89 PHE HA H 89 3.058 3.058 4.311 -1.253 25852 7341 1 11 . 1 1 89 89 PHE CA C 89 59.703 59.703 60.986 -1.282 25852 7342 1 11 . 1 1 89 89 PHE CB C 89 36.774 36.774 39.043 -2.269 25852 7343 1 11 . 1 1 89 89 PHE H H 89 8.498 8.498 7.573 0.925 25852 7344 1 11 . 1 1 90 90 ARG N N 90 116.002 116.002 116.723 -0.721 25852 7345 1 11 . 1 1 90 90 ARG HA H 90 3.892 3.892 4.242 -0.350 25852 7346 1 11 . 1 1 90 90 ARG CA C 90 56.168 56.168 57.264 -1.096 25852 7347 1 11 . 1 1 90 90 ARG CB C 90 27.654 27.654 30.309 -2.655 25852 7348 1 11 . 1 1 90 90 ARG H H 90 7.860 7.860 8.052 -0.192 25852 7349 1 11 . 1 1 91 91 VAL N N 91 118.008 118.008 118.327 -0.319 25852 7350 1 11 . 1 1 91 91 VAL HA H 91 3.243 3.243 3.966 -0.723 25852 7351 1 11 . 1 1 91 91 VAL CA C 91 63.357 63.357 66.110 -2.753 25852 7352 1 11 . 1 1 91 91 VAL CB C 91 28.444 28.444 32.598 -4.154 25852 7353 1 11 . 1 1 91 91 VAL H H 91 7.300 7.300 7.770 -0.470 25852 7354 1 11 . 1 1 92 92 PHE N N 92 113.024 113.024 115.296 -2.272 25852 7355 1 11 . 1 1 92 92 PHE HA H 92 3.967 3.967 4.451 -0.484 25852 7356 1 11 . 1 1 92 92 PHE CA C 92 57.558 57.558 58.010 -0.452 25852 7357 1 11 . 1 1 92 92 PHE CB C 92 38.838 38.838 40.472 -1.634 25852 7358 1 11 . 1 1 92 92 PHE H H 92 6.805 6.805 7.985 -1.180 25852 7359 1 11 . 1 1 93 93 ASP N N 93 116.393 116.393 120.034 -3.641 25852 7360 1 11 . 1 1 93 93 ASP HA H 93 4.496 4.496 4.480 0.016 25852 7361 1 11 . 1 1 93 93 ASP CA C 93 49.525 49.525 55.360 -5.835 25852 7362 1 11 . 1 1 93 93 ASP CB C 93 35.788 35.788 40.482 -4.694 25852 7363 1 11 . 1 1 93 93 ASP H H 93 8.018 8.018 7.734 0.284 25852 7364 1 11 . 1 1 94 94 LYS N N 94 125.158 125.158 123.946 1.212 25852 7365 1 11 . 1 1 94 94 LYS HA H 94 3.892 3.892 4.214 -0.322 25852 7366 1 11 . 1 1 94 94 LYS CA C 94 56.183 56.183 57.953 -1.770 25852 7367 1 11 . 1 1 94 94 LYS CB C 94 29.945 29.945 32.757 -2.812 25852 7368 1 11 . 1 1 94 94 LYS H H 94 7.721 7.721 7.970 -0.249 25852 7369 1 11 . 1 1 95 95 ASP N N 95 113.893 113.893 118.650 -4.757 25852 7370 1 11 . 1 1 95 95 ASP HA H 95 4.415 4.415 4.522 -0.107 25852 7371 1 11 . 1 1 95 95 ASP CA C 95 50.683 50.683 54.440 -3.757 25852 7372 1 11 . 1 1 95 95 ASP CB C 95 36.774 36.774 40.657 -3.883 25852 7373 1 11 . 1 1 95 95 ASP H H 95 8.156 8.156 7.690 0.466 25852 7374 1 11 . 1 1 96 96 GLY N N 96 108.799 108.799 106.206 2.593 25852 7375 1 11 . 1 1 96 96 GLY CA C 96 44.344 44.344 46.233 -1.889 25852 7376 1 11 . 1 1 96 96 GLY H H 96 7.717 7.717 8.473 -0.756 25852 7377 1 11 . 1 1 97 97 ASN N N 97 119.381 119.381 118.106 1.275 25852 7378 1 11 . 1 1 97 97 ASN HA H 97 4.500 4.500 4.756 -0.256 25852 7379 1 11 . 1 1 97 97 ASN CA C 97 49.916 49.916 52.947 -3.031 25852 7380 1 11 . 1 1 97 97 ASN CB C 97 35.183 35.183 39.165 -3.982 25852 7381 1 11 . 1 1 97 97 ASN H H 97 8.312 8.312 8.190 0.122 25852 7382 1 11 . 1 1 98 98 GLY N N 98 112.330 112.330 106.773 5.557 25852 7383 1 11 . 1 1 98 98 GLY CA C 98 42.434 42.434 45.347 -2.913 25852 7384 1 11 . 1 1 98 98 GLY H H 98 10.555 10.555 7.992 2.563 25852 7385 1 11 . 1 1 99 99 TYR N N 99 116.075 116.075 119.685 -3.610 25852 7386 1 11 . 1 1 99 99 TYR HA H 99 4.871 4.871 4.820 0.051 25852 7387 1 11 . 1 1 99 99 TYR CA C 99 53.582 53.582 56.021 -2.439 25852 7388 1 11 . 1 1 99 99 TYR CB C 99 39.981 39.981 39.391 0.590 25852 7389 1 11 . 1 1 99 99 TYR H H 99 7.650 7.650 7.584 0.066 25852 7390 1 11 . 1 1 100 100 ILE N N 100 126.834 126.834 126.408 0.426 25852 7391 1 11 . 1 1 100 100 ILE HA H 100 4.493 4.493 4.202 0.291 25852 7392 1 11 . 1 1 100 100 ILE CA C 100 58.616 58.616 61.636 -3.020 25852 7393 1 11 . 1 1 100 100 ILE CB C 100 35.903 35.903 37.319 -1.417 25852 7394 1 11 . 1 1 100 100 ILE H H 100 10.037 10.037 8.309 1.728 25852 7395 1 11 . 1 1 101 101 SER N N 101 123.486 123.486 123.109 0.377 25852 7396 1 11 . 1 1 101 101 SER HA H 101 4.738 4.738 4.654 0.084 25852 7397 1 11 . 1 1 101 101 SER CA C 101 52.897 52.897 57.525 -4.628 25852 7398 1 11 . 1 1 101 101 SER CB C 101 64.134 64.134 64.703 -0.569 25852 7399 1 11 . 1 1 101 101 SER H H 101 8.904 8.904 8.059 0.845 25852 7400 1 11 . 1 1 102 102 ALA N N 102 122.796 122.796 122.840 -0.044 25852 7401 1 11 . 1 1 102 102 ALA HA H 102 3.747 3.747 4.034 -0.287 25852 7402 1 11 . 1 1 102 102 ALA CA C 102 53.093 53.093 54.816 -1.723 25852 7403 1 11 . 1 1 102 102 ALA CB C 102 15.114 15.114 18.309 -3.195 25852 7404 1 11 . 1 1 102 102 ALA H H 102 9.246 9.246 9.076 0.170 25852 7405 1 11 . 1 1 103 103 ALA N N 103 118.362 118.362 119.374 -1.012 25852 7406 1 11 . 1 1 103 103 ALA HA H 103 3.861 3.861 4.183 -0.322 25852 7407 1 11 . 1 1 103 103 ALA CA C 103 52.409 52.409 54.141 -1.732 25852 7408 1 11 . 1 1 103 103 ALA CB C 103 15.456 15.456 18.985 -3.529 25852 7409 1 11 . 1 1 103 103 ALA H H 103 8.214 8.214 8.374 -0.160 25852 7410 1 11 . 1 1 104 104 GLU N N 104 120.187 120.187 120.046 0.141 25852 7411 1 11 . 1 1 104 104 GLU HA H 104 3.904 3.904 4.180 -0.276 25852 7412 1 11 . 1 1 104 104 GLU CA C 104 56.563 56.563 58.256 -1.693 25852 7413 1 11 . 1 1 104 104 GLU CB C 104 26.400 26.400 29.628 -3.228 25852 7414 1 11 . 1 1 104 104 GLU H H 104 7.864 7.864 7.840 0.024 25852 7415 1 11 . 1 1 105 105 LEU N N 105 121.050 121.050 120.571 0.479 25852 7416 1 11 . 1 1 105 105 LEU HA H 105 3.892 3.892 3.714 0.178 25852 7417 1 11 . 1 1 105 105 LEU CA C 105 55.732 55.732 57.800 -2.068 25852 7418 1 11 . 1 1 105 105 LEU CB C 105 39.340 39.340 41.975 -2.635 25852 7419 1 11 . 1 1 105 105 LEU H H 105 8.341 8.341 8.597 -0.256 25852 7420 1 11 . 1 1 106 106 ARG N N 106 118.494 118.494 119.184 -0.690 25852 7421 1 11 . 1 1 106 106 ARG HA H 106 3.904 3.904 3.972 -0.068 25852 7422 1 11 . 1 1 106 106 ARG CA C 106 55.724 55.724 58.873 -3.149 25852 7423 1 11 . 1 1 106 106 ARG CB C 106 29.945 29.945 28.987 0.958 25852 7424 1 11 . 1 1 106 106 ARG H H 106 8.852 8.852 7.630 1.222 25852 7425 1 11 . 1 1 107 107 HIS N N 107 118.921 118.921 119.112 -0.191 25852 7426 1 11 . 1 1 107 107 HIS HA H 107 3.876 3.876 4.410 -0.534 25852 7427 1 11 . 1 1 107 107 HIS CA C 107 56.807 56.807 59.330 -2.523 25852 7428 1 11 . 1 1 107 107 HIS CB C 107 27.198 27.198 30.016 -2.818 25852 7429 1 11 . 1 1 107 107 HIS H H 107 8.045 8.045 8.374 -0.329 25852 7430 1 11 . 1 1 108 108 VAL N N 108 118.991 118.991 120.895 -1.904 25852 7431 1 11 . 1 1 108 108 VAL HA H 108 3.385 3.385 3.495 -0.110 25852 7432 1 11 . 1 1 108 108 VAL CA C 108 64.285 64.285 66.453 -2.168 25852 7433 1 11 . 1 1 108 108 VAL CB C 108 28.908 28.908 31.529 -2.621 25852 7434 1 11 . 1 1 108 108 VAL H H 108 7.766 7.766 8.364 -0.598 25852 7435 1 11 . 1 1 109 109 MET N N 109 115.789 115.789 118.857 -3.068 25852 7436 1 11 . 1 1 109 109 MET HA H 109 4.139 4.139 4.134 0.005 25852 7437 1 11 . 1 1 109 109 MET CA C 109 54.461 54.461 57.791 -3.329 25852 7438 1 11 . 1 1 109 109 MET CB C 109 29.706 29.706 31.514 -1.808 25852 7439 1 11 . 1 1 109 109 MET H H 109 8.333 8.333 8.462 -0.129 25852 7440 1 11 . 1 1 110 110 THR N N 110 116.700 116.700 113.633 3.067 25852 7441 1 11 . 1 1 110 110 THR HA H 110 3.935 3.935 4.187 -0.252 25852 7442 1 11 . 1 1 110 110 THR CA C 110 63.845 63.845 65.593 -1.748 25852 7443 1 11 . 1 1 110 110 THR CB C 110 66.072 66.072 68.296 -2.224 25852 7444 1 11 . 1 1 110 110 THR H H 110 8.603 8.603 8.236 0.367 25852 7445 1 11 . 1 1 111 111 ASN N N 111 123.354 123.354 118.332 5.022 25852 7446 1 11 . 1 1 111 111 ASN HA H 111 4.242 4.242 4.549 -0.307 25852 7447 1 11 . 1 1 111 111 ASN CA C 111 53.093 53.093 55.337 -2.244 25852 7448 1 11 . 1 1 111 111 ASN CB C 111 35.292 35.292 38.671 -3.379 25852 7449 1 11 . 1 1 111 111 ASN H H 111 7.991 7.991 7.304 0.687 25852 7450 1 11 . 1 1 112 112 LEU N N 112 118.291 118.291 116.967 1.324 25852 7451 1 11 . 1 1 112 112 LEU HA H 112 4.182 4.182 4.169 0.013 25852 7452 1 11 . 1 1 112 112 LEU CA C 112 52.653 52.653 56.216 -3.563 25852 7453 1 11 . 1 1 112 112 LEU CB C 112 39.738 39.738 42.825 -3.087 25852 7454 1 11 . 1 1 112 112 LEU H H 112 7.754 7.754 7.953 -0.199 25852 7455 1 11 . 1 1 113 113 GLY N N 113 106.894 106.894 103.690 3.204 25852 7456 1 11 . 1 1 113 113 GLY CA C 113 42.536 42.536 44.474 -1.938 25852 7457 1 11 . 1 1 113 113 GLY H H 113 7.778 7.778 8.023 -0.245 25852 7458 1 11 . 1 1 114 114 GLU N N 114 119.776 119.776 121.685 -1.909 25852 7459 1 11 . 1 1 114 114 GLU HA H 114 4.267 4.267 4.517 -0.250 25852 7460 1 11 . 1 1 114 114 GLU CA C 114 52.067 52.067 55.205 -3.138 25852 7461 1 11 . 1 1 114 114 GLU CB C 114 26.616 26.616 32.287 -5.671 25852 7462 1 11 . 1 1 114 114 GLU H H 114 7.957 7.957 8.515 -0.558 25852 7463 1 11 . 1 1 115 115 LYS N N 115 124.429 124.429 121.570 2.859 25852 7464 1 11 . 1 1 115 115 LYS HA H 115 4.255 4.255 4.524 -0.269 25852 7465 1 11 . 1 1 115 115 LYS CA C 115 52.848 52.848 55.411 -2.563 25852 7466 1 11 . 1 1 115 115 LYS CB C 115 30.518 30.518 33.604 -3.086 25852 7467 1 11 . 1 1 115 115 LYS H H 115 8.591 8.591 8.415 0.176 25852 7468 1 11 . 1 1 116 116 LEU N N 116 124.724 124.724 125.697 -0.973 25852 7469 1 11 . 1 1 116 116 LEU HA H 116 4.690 4.690 4.868 -0.178 25852 7470 1 11 . 1 1 116 116 LEU CA C 116 51.089 51.089 54.026 -2.937 25852 7471 1 11 . 1 1 116 116 LEU CB C 116 42.588 42.588 44.599 -2.011 25852 7472 1 11 . 1 1 116 116 LEU H H 116 8.066 8.066 8.428 -0.362 25852 7473 1 11 . 1 1 117 117 THR N N 117 113.912 113.912 117.989 -4.077 25852 7474 1 11 . 1 1 117 117 THR HA H 117 4.302 4.302 4.370 -0.068 25852 7475 1 11 . 1 1 117 117 THR CA C 117 57.834 57.834 61.132 -3.298 25852 7476 1 11 . 1 1 117 117 THR CB C 117 68.580 68.580 71.109 -2.529 25852 7477 1 11 . 1 1 117 117 THR H H 117 9.165 9.165 8.850 0.315 25852 7478 1 11 . 1 1 118 118 ASP N N 118 120.787 120.787 119.871 0.916 25852 7479 1 11 . 1 1 118 118 ASP HA H 118 4.061 4.061 4.433 -0.372 25852 7480 1 11 . 1 1 118 118 ASP CA C 118 55.243 55.243 57.685 -2.442 25852 7481 1 11 . 1 1 118 118 ASP CB C 118 37.002 37.002 40.927 -3.925 25852 7482 1 11 . 1 1 118 118 ASP H H 118 8.860 8.860 8.749 0.111 25852 7483 1 11 . 1 1 119 119 GLU N N 119 119.091 119.091 118.484 0.607 25852 7484 1 11 . 1 1 119 119 GLU HA H 119 3.892 3.892 4.304 -0.412 25852 7485 1 11 . 1 1 119 119 GLU CA C 119 57.149 57.149 57.583 -0.434 25852 7486 1 11 . 1 1 119 119 GLU CB C 119 25.931 25.931 29.029 -3.098 25852 7487 1 11 . 1 1 119 119 GLU H H 119 8.618 8.618 8.628 -0.010 25852 7488 1 11 . 1 1 120 120 GLU N N 120 120.037 120.037 117.706 2.331 25852 7489 1 11 . 1 1 120 120 GLU HA H 120 3.880 3.880 4.219 -0.339 25852 7490 1 11 . 1 1 120 120 GLU CA C 120 56.319 56.319 57.629 -1.310 25852 7491 1 11 . 1 1 120 120 GLU CB C 120 25.830 25.830 29.802 -3.972 25852 7492 1 11 . 1 1 120 120 GLU H H 120 7.659 7.659 8.430 -0.771 25852 7493 1 11 . 1 1 121 121 VAL N N 121 122.512 122.512 115.526 6.986 25852 7494 1 11 . 1 1 121 121 VAL HA H 121 3.385 3.385 4.052 -0.667 25852 7495 1 11 . 1 1 121 121 VAL CA C 121 64.090 64.090 63.683 0.407 25852 7496 1 11 . 1 1 121 121 VAL CB C 121 28.680 28.680 31.894 -3.214 25852 7497 1 11 . 1 1 121 121 VAL H H 121 7.887 7.887 7.454 0.433 25852 7498 1 11 . 1 1 122 122 ASP N N 122 119.993 119.993 119.064 0.929 25852 7499 1 11 . 1 1 122 122 ASP HA H 122 4.157 4.157 4.427 -0.270 25852 7500 1 11 . 1 1 122 122 ASP CA C 122 54.901 54.901 55.974 -1.073 25852 7501 1 11 . 1 1 122 122 ASP CB C 122 37.572 37.572 39.668 -2.096 25852 7502 1 11 . 1 1 122 122 ASP H H 122 7.973 7.973 8.295 -0.322 25852 7503 1 11 . 1 1 123 123 GLU N N 123 119.521 119.521 113.236 6.285 25852 7504 1 11 . 1 1 123 123 GLU HA H 123 3.880 3.880 4.438 -0.558 25852 7505 1 11 . 1 1 123 123 GLU CA C 123 56.612 56.612 56.599 0.014 25852 7506 1 11 . 1 1 123 123 GLU CB C 123 26.172 26.172 30.612 -4.440 25852 7507 1 11 . 1 1 123 123 GLU H H 123 7.903 7.903 7.992 -0.089 25852 7508 1 11 . 1 1 124 124 MET N N 124 118.961 118.961 120.112 -1.151 25852 7509 1 11 . 1 1 124 124 MET HA H 124 3.892 3.892 4.418 -0.526 25852 7510 1 11 . 1 1 124 124 MET CA C 124 56.905 56.905 58.200 -1.295 25852 7511 1 11 . 1 1 124 124 MET CB C 124 29.250 29.250 33.571 -4.321 25852 7512 1 11 . 1 1 124 124 MET H H 124 7.496 7.496 7.853 -0.357 25852 7513 1 11 . 1 1 125 125 ILE N N 125 117.801 117.801 118.879 -1.078 25852 7514 1 11 . 1 1 125 125 ILE HA H 125 3.409 3.409 3.947 -0.538 25852 7515 1 11 . 1 1 125 125 ILE CA C 125 60.131 60.131 64.185 -4.054 25852 7516 1 11 . 1 1 125 125 ILE CB C 125 33.240 33.240 38.202 -4.962 25852 7517 1 11 . 1 1 125 125 ILE H H 125 7.762 7.762 7.582 0.180 25852 7518 1 11 . 1 1 126 126 ARG N N 126 117.729 117.729 118.164 -0.435 25852 7519 1 11 . 1 1 126 126 ARG HA H 126 3.883 3.883 3.989 -0.106 25852 7520 1 11 . 1 1 126 126 ARG CA C 126 56.673 56.673 59.595 -2.922 25852 7521 1 11 . 1 1 126 126 ARG CB C 126 29.478 29.478 29.884 -0.406 25852 7522 1 11 . 1 1 126 126 ARG H H 126 8.055 8.055 8.691 -0.636 25852 7523 1 11 . 1 1 127 127 GLU N N 127 117.539 117.539 116.272 1.267 25852 7524 1 11 . 1 1 127 127 GLU HA H 127 3.861 3.861 4.194 -0.333 25852 7525 1 11 . 1 1 127 127 GLU CA C 127 56.319 56.319 58.010 -1.691 25852 7526 1 11 . 1 1 127 127 GLU CB C 127 26.286 26.286 29.532 -3.246 25852 7527 1 11 . 1 1 127 127 GLU H H 127 7.700 7.700 8.051 -0.351 25852 7528 1 11 . 1 1 128 128 ALA N N 128 116.677 116.677 120.973 -4.296 25852 7529 1 11 . 1 1 128 128 ALA HA H 128 4.500 4.500 4.321 0.179 25852 7530 1 11 . 1 1 128 128 ALA CA C 128 48.205 48.205 52.559 -4.354 25852 7531 1 11 . 1 1 128 128 ALA CB C 128 19.633 19.633 20.485 -0.853 25852 7532 1 11 . 1 1 128 128 ALA H H 128 7.223 7.223 7.440 -0.217 25852 7533 1 11 . 1 1 129 129 ASP N N 129 118.030 118.030 119.031 -1.001 25852 7534 1 11 . 1 1 129 129 ASP HA H 129 4.460 4.460 4.754 -0.294 25852 7535 1 11 . 1 1 129 129 ASP CA C 129 51.485 51.485 56.081 -4.596 25852 7536 1 11 . 1 1 129 129 ASP CB C 129 38.195 38.195 40.944 -2.749 25852 7537 1 11 . 1 1 129 129 ASP H H 129 7.895 7.895 8.471 -0.576 25852 7538 1 11 . 1 1 130 130 ILE N N 130 127.693 127.693 126.128 1.565 25852 7539 1 11 . 1 1 130 130 ILE HA H 130 3.797 3.797 4.001 -0.204 25852 7540 1 11 . 1 1 130 130 ILE CA C 130 60.522 60.522 63.357 -2.835 25852 7541 1 11 . 1 1 130 130 ILE CB C 130 36.090 36.090 38.635 -2.545 25852 7542 1 11 . 1 1 130 130 ILE H H 130 8.148 8.148 8.489 -0.341 25852 7543 1 11 . 1 1 131 131 ASP N N 131 116.409 116.409 119.859 -3.450 25852 7544 1 11 . 1 1 131 131 ASP HA H 131 4.376 4.376 4.677 -0.301 25852 7545 1 11 . 1 1 131 131 ASP CA C 131 51.187 51.187 54.308 -3.121 25852 7546 1 11 . 1 1 131 131 ASP CB C 131 37.468 37.468 42.059 -4.590 25852 7547 1 11 . 1 1 131 131 ASP H H 131 8.288 8.288 7.982 0.306 25852 7548 1 11 . 1 1 132 132 GLY N N 132 108.363 108.363 108.774 -0.411 25852 7549 1 11 . 1 1 132 132 GLY CA C 132 44.638 44.638 45.258 -0.620 25852 7550 1 11 . 1 1 132 132 GLY H H 132 7.630 7.630 8.423 -0.793 25852 7551 1 11 . 1 1 133 133 ASP N N 133 120.183 120.183 120.801 -0.618 25852 7552 1 11 . 1 1 133 133 ASP HA H 133 4.329 4.329 4.544 -0.215 25852 7553 1 11 . 1 1 133 133 ASP CA C 133 50.942 50.942 54.794 -3.852 25852 7554 1 11 . 1 1 133 133 ASP CB C 133 37.458 37.458 42.227 -4.769 25852 7555 1 11 . 1 1 133 133 ASP H H 133 8.298 8.298 8.593 -0.295 25852 7556 1 11 . 1 1 134 134 GLY N N 134 112.149 112.149 109.117 3.032 25852 7557 1 11 . 1 1 134 134 GLY CA C 134 43.122 43.122 45.000 -1.878 25852 7558 1 11 . 1 1 134 134 GLY H H 134 10.079 10.079 8.084 1.995 25852 7559 1 11 . 1 1 135 135 GLN N N 135 115.069 115.069 117.924 -2.855 25852 7560 1 11 . 1 1 135 135 GLN HA H 135 4.844 4.844 4.591 0.253 25852 7561 1 11 . 1 1 135 135 GLN CA C 135 50.454 50.454 54.561 -4.107 25852 7562 1 11 . 1 1 135 135 GLN CB C 135 30.614 30.614 31.823 -1.209 25852 7563 1 11 . 1 1 135 135 GLN H H 135 7.922 7.922 7.720 0.202 25852 7564 1 11 . 1 1 136 136 VAL N N 136 125.107 125.107 127.484 -2.377 25852 7565 1 11 . 1 1 136 136 VAL HA H 136 5.096 5.096 4.660 0.436 25852 7566 1 11 . 1 1 136 136 VAL CA C 136 58.713 58.713 62.758 -4.045 25852 7567 1 11 . 1 1 136 136 VAL CB C 136 31.416 31.416 32.231 -0.815 25852 7568 1 11 . 1 1 136 136 VAL H H 136 9.046 9.046 8.668 0.378 25852 7569 1 11 . 1 1 137 137 ASN N N 137 128.858 128.858 126.204 2.654 25852 7570 1 11 . 1 1 137 137 ASN HA H 137 5.226 5.226 4.960 0.266 25852 7571 1 11 . 1 1 137 137 ASN CA C 137 48.352 48.352 52.249 -3.897 25852 7572 1 11 . 1 1 137 137 ASN CB C 137 35.640 35.640 39.320 -3.680 25852 7573 1 11 . 1 1 137 137 ASN H H 137 9.458 9.458 9.146 0.312 25852 7574 1 11 . 1 1 138 138 TYR N N 138 118.481 118.481 121.449 -2.968 25852 7575 1 11 . 1 1 138 138 TYR HA H 138 3.603 3.603 4.069 -0.466 25852 7576 1 11 . 1 1 138 138 TYR CA C 138 59.669 59.669 61.890 -2.221 25852 7577 1 11 . 1 1 138 138 TYR CB C 138 37.572 37.572 38.176 -0.604 25852 7578 1 11 . 1 1 138 138 TYR H H 138 8.235 8.235 8.985 -0.750 25852 7579 1 11 . 1 1 139 139 GLU N N 139 118.474 118.474 117.620 0.854 25852 7580 1 11 . 1 1 139 139 GLU HA H 139 3.868 3.868 3.412 0.456 25852 7581 1 11 . 1 1 139 139 GLU CA C 139 57.540 57.540 58.861 -1.321 25852 7582 1 11 . 1 1 139 139 GLU CB C 139 26.274 26.274 28.062 -1.788 25852 7583 1 11 . 1 1 139 139 GLU H H 139 8.067 8.067 8.755 -0.688 25852 7584 1 11 . 1 1 140 140 GLU N N 140 119.279 119.279 118.793 0.486 25852 7585 1 11 . 1 1 140 140 GLU HA H 140 3.880 3.880 4.264 -0.384 25852 7586 1 11 . 1 1 140 140 GLU CA C 140 56.025 56.025 57.958 -1.933 25852 7587 1 11 . 1 1 140 140 GLU CB C 140 26.274 26.274 29.676 -3.402 25852 7588 1 11 . 1 1 140 140 GLU H H 140 8.742 8.742 8.382 0.360 25852 7589 1 11 . 1 1 141 141 PHE N N 141 124.141 124.141 120.125 4.016 25852 7590 1 11 . 1 1 141 141 PHE HA H 141 3.602 3.602 4.226 -0.624 25852 7591 1 11 . 1 1 141 141 PHE CA C 141 59.447 59.447 60.340 -0.893 25852 7592 1 11 . 1 1 141 141 PHE CB C 141 37.686 37.686 39.519 -1.833 25852 7593 1 11 . 1 1 141 141 PHE H H 141 8.593 8.593 7.753 0.840 25852 7594 1 11 . 1 1 142 142 VAL N N 142 118.383 118.383 117.684 0.699 25852 7595 1 11 . 1 1 142 142 VAL HA H 142 2.986 2.986 3.678 -0.692 25852 7596 1 11 . 1 1 142 142 VAL CA C 142 64.432 64.432 65.161 -0.729 25852 7597 1 11 . 1 1 142 142 VAL CB C 142 28.908 28.908 31.964 -3.056 25852 7598 1 11 . 1 1 142 142 VAL H H 142 8.776 8.776 8.195 0.581 25852 7599 1 11 . 1 1 143 143 GLN N N 143 119.891 119.891 119.569 0.322 25852 7600 1 11 . 1 1 143 143 GLN HA H 143 3.671 3.671 3.929 -0.258 25852 7601 1 11 . 1 1 143 143 GLN CA C 143 56.514 56.514 58.843 -2.329 25852 7602 1 11 . 1 1 143 143 GLN CB C 143 25.246 25.246 28.626 -3.380 25852 7603 1 11 . 1 1 143 143 GLN H H 143 7.787 7.787 7.614 0.173 25852 7604 1 11 . 1 1 144 144 MET N N 144 118.429 118.429 115.869 2.560 25852 7605 1 11 . 1 1 144 144 MET HA H 144 3.892 3.892 4.087 -0.195 25852 7606 1 11 . 1 1 144 144 MET CA C 144 55.683 55.683 58.658 -2.975 25852 7607 1 11 . 1 1 144 144 MET CB C 144 28.110 28.110 31.872 -3.762 25852 7608 1 11 . 1 1 144 144 MET H H 144 7.450 7.450 7.789 -0.339 25852 7609 1 11 . 1 1 145 145 MET N N 145 114.145 114.145 115.681 -1.536 25852 7610 1 11 . 1 1 145 145 MET HA H 145 3.905 3.905 4.242 -0.337 25852 7611 1 11 . 1 1 145 145 MET CA C 145 53.630 53.630 57.041 -3.411 25852 7612 1 11 . 1 1 145 145 MET CB C 145 29.592 29.592 32.670 -3.078 25852 7613 1 11 . 1 1 145 145 MET H H 145 7.724 7.724 8.074 -0.350 25852 7614 1 11 . 1 1 146 146 THR N N 146 108.482 108.482 110.073 -1.591 25852 7615 1 11 . 1 1 146 146 THR HA H 146 4.170 4.170 4.456 -0.286 25852 7616 1 11 . 1 1 146 146 THR CA C 146 59.251 59.251 62.650 -3.399 25852 7617 1 11 . 1 1 146 146 THR CB C 146 67.896 67.896 71.038 -3.142 25852 7618 1 11 . 1 1 146 146 THR H H 146 7.700 7.700 7.668 0.032 25852 7619 1 11 . 1 1 147 147 ALA N N 147 126.469 126.469 123.846 2.623 25852 7620 1 11 . 1 1 147 147 ALA HA H 147 4.095 4.095 4.057 0.038 25852 7621 1 11 . 1 1 147 147 ALA CA C 147 50.307 50.307 53.386 -3.079 25852 7622 1 11 . 1 1 147 147 ALA CB C 147 16.336 16.336 19.208 -2.872 25852 7623 1 11 . 1 1 147 147 ALA H H 147 7.291 7.291 8.559 -1.268 25852 7624 1 12 . 1 1 3 3 GLN N N 3 118.120 118.120 121.024 -2.904 25852 7625 1 12 . 1 1 3 3 GLN HA H 3 4.688 4.688 4.970 -0.282 25852 7626 1 12 . 1 1 3 3 GLN CA C 3 53.500 53.500 54.824 -1.324 25852 7627 1 12 . 1 1 3 3 GLN CB C 3 29.475 29.475 31.420 -1.945 25852 7628 1 12 . 1 1 3 3 GLN H H 3 8.134 8.134 8.301 -0.167 25852 7629 1 12 . 1 1 4 4 LEU N N 4 121.407 121.407 121.661 -0.254 25852 7630 1 12 . 1 1 4 4 LEU HA H 4 4.460 4.460 4.697 -0.237 25852 7631 1 12 . 1 1 4 4 LEU CA C 4 51.650 51.650 54.716 -3.066 25852 7632 1 12 . 1 1 4 4 LEU CB C 4 40.715 40.715 41.744 -1.029 25852 7633 1 12 . 1 1 4 4 LEU H H 4 8.202 8.202 8.392 -0.190 25852 7634 1 12 . 1 1 5 5 THR N N 5 112.733 112.733 109.769 2.964 25852 7635 1 12 . 1 1 5 5 THR HA H 5 4.265 4.265 4.546 -0.281 25852 7636 1 12 . 1 1 5 5 THR CA C 5 59.433 59.433 60.261 -0.828 25852 7637 1 12 . 1 1 5 5 THR CB C 5 67.475 67.475 70.477 -3.002 25852 7638 1 12 . 1 1 5 5 THR H H 5 8.691 8.691 7.681 1.010 25852 7639 1 12 . 1 1 6 6 GLU N N 6 119.971 119.971 119.694 0.277 25852 7640 1 12 . 1 1 6 6 GLU HA H 6 3.854 3.854 3.920 -0.066 25852 7641 1 12 . 1 1 6 6 GLU CA C 6 56.756 56.756 59.347 -2.591 25852 7642 1 12 . 1 1 6 6 GLU CB C 6 26.508 26.508 29.275 -2.767 25852 7643 1 12 . 1 1 6 6 GLU H H 6 8.953 8.953 8.851 0.102 25852 7644 1 12 . 1 1 7 7 GLU N N 7 119.133 119.133 118.063 1.070 25852 7645 1 12 . 1 1 7 7 GLU HA H 7 3.898 3.898 3.969 -0.071 25852 7646 1 12 . 1 1 7 7 GLU CA C 7 56.756 56.756 58.816 -2.060 25852 7647 1 12 . 1 1 7 7 GLU CB C 7 26.279 26.279 28.792 -2.513 25852 7648 1 12 . 1 1 7 7 GLU H H 7 8.653 8.653 8.389 0.264 25852 7649 1 12 . 1 1 8 8 GLN N N 8 120.207 120.207 119.496 0.711 25852 7650 1 12 . 1 1 8 8 GLN HA H 8 3.957 3.957 4.152 -0.195 25852 7651 1 12 . 1 1 8 8 GLN CA C 8 57.099 57.099 58.669 -1.570 25852 7652 1 12 . 1 1 8 8 GLN CB C 8 26.737 26.737 28.652 -1.915 25852 7653 1 12 . 1 1 8 8 GLN H H 8 7.645 7.645 7.597 0.048 25852 7654 1 12 . 1 1 9 9 ILE N N 9 118.171 118.171 120.382 -2.211 25852 7655 1 12 . 1 1 9 9 ILE HA H 9 3.354 3.354 3.400 -0.046 25852 7656 1 12 . 1 1 9 9 ILE CA C 9 62.714 62.714 64.694 -1.980 25852 7657 1 12 . 1 1 9 9 ILE CB C 9 35.216 35.216 37.781 -2.565 25852 7658 1 12 . 1 1 9 9 ILE H H 9 8.153 8.153 7.224 0.929 25852 7659 1 12 . 1 1 10 10 ALA N N 10 120.124 120.124 120.704 -0.580 25852 7660 1 12 . 1 1 10 10 ALA HA H 10 3.966 3.966 4.245 -0.279 25852 7661 1 12 . 1 1 10 10 ALA CA C 10 52.746 52.746 54.707 -1.961 25852 7662 1 12 . 1 1 10 10 ALA CB C 10 15.165 15.165 18.825 -3.660 25852 7663 1 12 . 1 1 10 10 ALA H H 10 7.835 7.835 8.217 -0.382 25852 7664 1 12 . 1 1 11 11 GLU N N 11 119.983 119.983 115.721 4.262 25852 7665 1 12 . 1 1 11 11 GLU HA H 11 3.904 3.904 4.988 -1.084 25852 7666 1 12 . 1 1 11 11 GLU CA C 11 56.560 56.560 56.911 -0.351 25852 7667 1 12 . 1 1 11 11 GLU CB C 11 27.425 27.425 31.665 -4.240 25852 7668 1 12 . 1 1 11 11 GLU H H 11 7.706 7.706 7.804 -0.098 25852 7669 1 12 . 1 1 12 12 PHE N N 12 119.907 119.907 120.075 -0.168 25852 7670 1 12 . 1 1 12 12 PHE HA H 12 4.726 4.726 4.672 0.054 25852 7671 1 12 . 1 1 12 12 PHE CA C 12 55.839 55.839 58.935 -3.096 25852 7672 1 12 . 1 1 12 12 PHE CB C 12 33.955 33.955 38.799 -4.844 25852 7673 1 12 . 1 1 12 12 PHE H H 12 8.728 8.728 9.020 -0.292 25852 7674 1 12 . 1 1 13 13 LYS N N 13 121.208 121.208 120.253 0.955 25852 7675 1 12 . 1 1 13 13 LYS HA H 13 3.904 3.904 3.806 0.098 25852 7676 1 12 . 1 1 13 13 LYS CA C 13 57.290 57.290 58.895 -1.605 25852 7677 1 12 . 1 1 13 13 LYS CB C 13 30.174 30.174 32.611 -2.437 25852 7678 1 12 . 1 1 13 13 LYS H H 13 9.161 9.161 8.311 0.850 25852 7679 1 12 . 1 1 14 14 GLU N N 14 120.226 120.226 120.682 -0.456 25852 7680 1 12 . 1 1 14 14 GLU HA H 14 3.953 3.953 4.189 -0.236 25852 7681 1 12 . 1 1 14 14 GLU CA C 14 56.460 56.460 58.657 -2.197 25852 7682 1 12 . 1 1 14 14 GLU CB C 14 26.623 26.623 29.422 -2.799 25852 7683 1 12 . 1 1 14 14 GLU H H 14 7.980 7.980 8.165 -0.185 25852 7684 1 12 . 1 1 15 15 ALA N N 15 120.572 120.572 122.083 -1.511 25852 7685 1 12 . 1 1 15 15 ALA HA H 15 4.170 4.170 4.191 -0.021 25852 7686 1 12 . 1 1 15 15 ALA CA C 15 52.750 52.750 54.837 -2.087 25852 7687 1 12 . 1 1 15 15 ALA CB C 15 16.425 16.425 18.675 -2.250 25852 7688 1 12 . 1 1 15 15 ALA H H 15 7.563 7.563 8.625 -1.062 25852 7689 1 12 . 1 1 16 16 PHE N N 16 117.784 117.784 116.961 0.823 25852 7690 1 12 . 1 1 16 16 PHE HA H 16 3.904 3.904 4.362 -0.458 25852 7691 1 12 . 1 1 16 16 PHE CA C 16 59.540 59.540 59.120 0.420 25852 7692 1 12 . 1 1 16 16 PHE CB C 16 36.820 36.820 39.494 -2.674 25852 7693 1 12 . 1 1 16 16 PHE H H 16 8.453 8.453 7.560 0.893 25852 7694 1 12 . 1 1 17 17 SER N N 17 110.774 110.774 114.610 -3.836 25852 7695 1 12 . 1 1 17 17 SER HA H 17 4.086 4.086 4.135 -0.049 25852 7696 1 12 . 1 1 17 17 SER CA C 17 58.560 58.560 60.103 -1.543 25852 7697 1 12 . 1 1 17 17 SER CB C 17 60.651 60.651 63.295 -2.644 25852 7698 1 12 . 1 1 17 17 SER H H 17 8.351 8.351 7.711 0.640 25852 7699 1 12 . 1 1 18 18 LEU N N 18 120.947 120.947 120.542 0.405 25852 7700 1 12 . 1 1 18 18 LEU HA H 18 3.614 3.614 4.055 -0.441 25852 7701 1 12 . 1 1 18 18 LEU CA C 18 55.839 55.839 57.658 -1.819 25852 7702 1 12 . 1 1 18 18 LEU CB C 18 39.111 39.111 42.663 -3.552 25852 7703 1 12 . 1 1 18 18 LEU H H 18 7.278 7.278 8.196 -0.918 25852 7704 1 12 . 1 1 19 19 PHE N N 19 114.458 114.458 112.495 1.963 25852 7705 1 12 . 1 1 19 19 PHE HA H 19 3.904 3.904 4.506 -0.602 25852 7706 1 12 . 1 1 19 19 PHE CA C 19 56.870 56.870 57.775 -0.905 25852 7707 1 12 . 1 1 19 19 PHE CB C 19 33.841 33.841 41.516 -7.675 25852 7708 1 12 . 1 1 19 19 PHE H H 19 7.304 7.304 7.509 -0.205 25852 7709 1 12 . 1 1 20 20 ASP N N 20 122.233 122.233 121.479 0.754 25852 7710 1 12 . 1 1 20 20 ASP HA H 20 4.874 4.874 4.743 0.131 25852 7711 1 12 . 1 1 20 20 ASP CA C 20 50.454 50.454 53.248 -2.794 25852 7712 1 12 . 1 1 20 20 ASP CB C 20 37.622 37.622 39.658 -2.036 25852 7713 1 12 . 1 1 20 20 ASP H H 20 7.233 7.233 7.940 -0.707 25852 7714 1 12 . 1 1 21 21 LYS N N 21 123.433 123.433 122.802 0.631 25852 7715 1 12 . 1 1 21 21 LYS HA H 21 3.771 3.771 4.144 -0.373 25852 7716 1 12 . 1 1 21 21 LYS CA C 21 56.025 56.025 57.973 -1.948 25852 7717 1 12 . 1 1 21 21 LYS CB C 21 29.601 29.601 32.405 -2.804 25852 7718 1 12 . 1 1 21 21 LYS H H 21 8.007 8.007 8.136 -0.129 25852 7719 1 12 . 1 1 22 22 ASP N N 22 116.890 116.890 119.288 -2.398 25852 7720 1 12 . 1 1 22 22 ASP HA H 22 4.400 4.400 4.536 -0.136 25852 7721 1 12 . 1 1 22 22 ASP CA C 22 50.683 50.683 54.555 -3.872 25852 7722 1 12 . 1 1 22 22 ASP CB C 22 37.049 37.049 41.082 -4.033 25852 7723 1 12 . 1 1 22 22 ASP H H 22 8.641 8.641 8.130 0.511 25852 7724 1 12 . 1 1 23 23 GLY N N 23 110.068 110.068 106.612 3.456 25852 7725 1 12 . 1 1 23 23 GLY CA C 23 43.745 43.745 45.290 -1.545 25852 7726 1 12 . 1 1 23 23 GLY H H 23 7.938 7.938 8.047 -0.109 25852 7727 1 12 . 1 1 24 24 ASP N N 24 120.219 120.219 119.721 0.498 25852 7728 1 12 . 1 1 24 24 ASP HA H 24 4.367 4.367 4.760 -0.393 25852 7729 1 12 . 1 1 24 24 ASP CA C 24 51.040 51.040 53.735 -2.695 25852 7730 1 12 . 1 1 24 24 ASP CB C 24 37.438 37.438 40.971 -3.533 25852 7731 1 12 . 1 1 24 24 ASP H H 24 8.723 8.723 8.158 0.565 25852 7732 1 12 . 1 1 25 25 GLY N N 25 111.889 111.889 109.007 2.882 25852 7733 1 12 . 1 1 25 25 GLY CA C 25 42.680 42.680 46.595 -3.915 25852 7734 1 12 . 1 1 25 25 GLY H H 25 10.132 10.132 8.869 1.263 25852 7735 1 12 . 1 1 26 26 THR N N 26 109.844 109.844 115.856 -6.012 25852 7736 1 12 . 1 1 26 26 THR HA H 26 5.386 5.386 5.004 0.382 25852 7737 1 12 . 1 1 26 26 THR CA C 26 56.950 56.950 60.769 -3.819 25852 7738 1 12 . 1 1 26 26 THR CB C 26 70.234 70.234 71.245 -1.011 25852 7739 1 12 . 1 1 26 26 THR H H 26 7.507 7.507 8.095 -0.588 25852 7740 1 12 . 1 1 27 27 ILE N N 27 110.289 110.289 117.575 -7.286 25852 7741 1 12 . 1 1 27 27 ILE HA H 27 3.891 3.891 4.920 -1.029 25852 7742 1 12 . 1 1 27 27 ILE CA C 27 58.360 58.360 58.499 -0.139 25852 7743 1 12 . 1 1 27 27 ILE CB C 27 35.559 35.559 40.945 -5.386 25852 7744 1 12 . 1 1 27 27 ILE H H 27 8.191 8.191 9.029 -0.838 25852 7745 1 12 . 1 1 28 28 THR N N 28 110.507 110.507 115.648 -5.141 25852 7746 1 12 . 1 1 28 28 THR HA H 28 4.895 4.895 4.491 0.404 25852 7747 1 12 . 1 1 28 28 THR CA C 28 57.787 57.787 62.631 -4.844 25852 7748 1 12 . 1 1 28 28 THR CB C 28 68.099 68.099 69.320 -1.221 25852 7749 1 12 . 1 1 28 28 THR H H 28 8.265 8.265 8.693 -0.428 25852 7750 1 12 . 1 1 29 29 THR N N 29 112.331 112.331 116.293 -3.962 25852 7751 1 12 . 1 1 29 29 THR HA H 29 3.941 3.941 4.005 -0.064 25852 7752 1 12 . 1 1 29 29 THR CA C 29 63.840 63.840 65.468 -1.627 25852 7753 1 12 . 1 1 29 29 THR CB C 29 65.807 65.807 68.736 -2.929 25852 7754 1 12 . 1 1 29 29 THR H H 29 8.225 8.225 8.271 -0.046 25852 7755 1 12 . 1 1 30 30 LYS N N 30 118.985 118.985 121.326 -2.341 25852 7756 1 12 . 1 1 30 30 LYS HA H 30 3.965 3.965 4.036 -0.071 25852 7757 1 12 . 1 1 30 30 LYS CA C 30 55.839 55.839 58.704 -2.865 25852 7758 1 12 . 1 1 30 30 LYS CB C 30 29.372 29.372 32.008 -2.636 25852 7759 1 12 . 1 1 30 30 LYS H H 30 7.559 7.559 8.614 -1.055 25852 7760 1 12 . 1 1 31 31 GLU N N 31 117.233 117.233 114.786 2.447 25852 7761 1 12 . 1 1 31 31 GLU HA H 31 3.965 3.965 4.172 -0.207 25852 7762 1 12 . 1 1 31 31 GLU CA C 31 57.140 57.140 56.420 0.719 25852 7763 1 12 . 1 1 31 31 GLU CB C 31 26.393 26.393 30.070 -3.677 25852 7764 1 12 . 1 1 31 31 GLU H H 31 7.431 7.431 7.705 -0.274 25852 7765 1 12 . 1 1 32 32 LEU N N 32 120.701 120.701 122.697 -1.996 25852 7766 1 12 . 1 1 32 32 LEU HA H 32 3.880 3.880 3.752 0.128 25852 7767 1 12 . 1 1 32 32 LEU CA C 32 55.520 55.520 57.988 -2.468 25852 7768 1 12 . 1 1 32 32 LEU CB C 32 39.226 39.226 41.608 -2.382 25852 7769 1 12 . 1 1 32 32 LEU H H 32 7.270 7.270 7.751 -0.481 25852 7770 1 12 . 1 1 33 33 GLY N N 33 105.217 105.217 104.517 0.700 25852 7771 1 12 . 1 1 33 33 GLY CA C 33 45.642 45.642 47.668 -2.026 25852 7772 1 12 . 1 1 33 33 GLY H H 33 8.737 8.737 8.114 0.623 25852 7773 1 12 . 1 1 34 34 THR N N 34 118.196 118.196 118.389 -0.193 25852 7774 1 12 . 1 1 34 34 THR HA H 34 3.916 3.916 4.123 -0.207 25852 7775 1 12 . 1 1 34 34 THR CA C 34 63.859 63.859 66.033 -2.174 25852 7776 1 12 . 1 1 34 34 THR CB C 34 65.807 65.807 68.567 -2.760 25852 7777 1 12 . 1 1 34 34 THR H H 34 7.446 7.446 7.394 0.052 25852 7778 1 12 . 1 1 35 35 VAL N N 35 122.546 122.546 121.468 1.078 25852 7779 1 12 . 1 1 35 35 VAL HA H 35 3.373 3.373 3.837 -0.464 25852 7780 1 12 . 1 1 35 35 VAL CA C 35 64.088 64.088 65.472 -1.384 25852 7781 1 12 . 1 1 35 35 VAL CB C 35 28.799 28.799 30.933 -2.135 25852 7782 1 12 . 1 1 35 35 VAL H H 35 7.889 7.889 7.425 0.464 25852 7783 1 12 . 1 1 36 36 MET N N 36 118.307 118.307 118.495 -0.188 25852 7784 1 12 . 1 1 36 36 MET HA H 36 3.880 3.880 4.304 -0.424 25852 7785 1 12 . 1 1 36 36 MET CA C 36 56.870 56.870 59.001 -2.131 25852 7786 1 12 . 1 1 36 36 MET CB C 36 26.279 26.279 33.224 -6.945 25852 7787 1 12 . 1 1 36 36 MET H H 36 8.386 8.386 8.015 0.371 25852 7788 1 12 . 1 1 37 37 ARG N N 37 119.233 119.233 119.125 0.108 25852 7789 1 12 . 1 1 37 37 ARG HA H 37 3.904 3.904 4.657 -0.753 25852 7790 1 12 . 1 1 37 37 ARG CA C 37 56.170 56.170 58.703 -2.533 25852 7791 1 12 . 1 1 37 37 ARG CB C 37 27.310 27.310 30.370 -3.061 25852 7792 1 12 . 1 1 37 37 ARG H H 37 8.451 8.451 8.340 0.111 25852 7793 1 12 . 1 1 38 38 SER N N 38 118.720 118.720 117.163 1.557 25852 7794 1 12 . 1 1 38 38 SER HA H 38 4.176 4.176 4.289 -0.113 25852 7795 1 12 . 1 1 38 38 SER CA C 38 59.250 59.250 61.069 -1.819 25852 7796 1 12 . 1 1 38 38 SER CB C 38 67.411 67.411 62.901 4.510 25852 7797 1 12 . 1 1 38 38 SER H H 38 8.040 8.040 8.252 -0.212 25852 7798 1 12 . 1 1 39 39 LEU N N 39 120.896 120.896 120.055 0.841 25852 7799 1 12 . 1 1 39 39 LEU HA H 39 4.460 4.460 4.430 0.030 25852 7800 1 12 . 1 1 39 39 LEU CA C 39 51.330 51.330 55.149 -3.819 25852 7801 1 12 . 1 1 39 39 LEU CB C 39 40.257 40.257 42.175 -1.919 25852 7802 1 12 . 1 1 39 39 LEU H H 39 7.263 7.263 7.476 -0.213 25852 7803 1 12 . 1 1 40 40 GLY N N 40 106.917 106.917 106.889 0.028 25852 7804 1 12 . 1 1 40 40 GLY CA C 40 42.880 42.880 44.681 -1.801 25852 7805 1 12 . 1 1 40 40 GLY H H 40 7.841 7.841 7.973 -0.132 25852 7806 1 12 . 1 1 41 41 GLN N N 41 117.171 117.171 120.312 -3.141 25852 7807 1 12 . 1 1 41 41 GLN HA H 41 4.243 4.243 4.295 -0.052 25852 7808 1 12 . 1 1 41 41 GLN CA C 41 52.631 52.631 55.447 -2.816 25852 7809 1 12 . 1 1 41 41 GLN CB C 41 30.747 30.747 29.807 0.940 25852 7810 1 12 . 1 1 41 41 GLN H H 41 7.687 7.687 7.711 -0.024 25852 7811 1 12 . 1 1 42 42 ASN N N 42 116.423 116.423 121.429 -5.006 25852 7812 1 12 . 1 1 42 42 ASN HA H 42 5.016 5.016 5.047 -0.031 25852 7813 1 12 . 1 1 42 42 ASN CA C 42 48.640 48.640 50.316 -1.676 25852 7814 1 12 . 1 1 42 42 ASN CB C 42 36.591 36.591 38.930 -2.339 25852 7815 1 12 . 1 1 42 42 ASN H H 42 8.601 8.601 8.763 -0.162 25852 7816 1 12 . 1 1 44 44 THR N N 44 113.033 113.033 114.456 -1.423 25852 7817 1 12 . 1 1 44 44 THR HA H 44 4.279 4.279 4.511 -0.232 25852 7818 1 12 . 1 1 44 44 THR CA C 44 57.640 57.640 61.433 -3.793 25852 7819 1 12 . 1 1 44 44 THR CB C 44 68.328 68.328 70.695 -2.367 25852 7820 1 12 . 1 1 44 44 THR H H 44 8.711 8.711 8.272 0.439 25852 7821 1 12 . 1 1 45 45 GLU N N 45 120.233 120.233 122.973 -2.740 25852 7822 1 12 . 1 1 45 45 GLU HA H 45 3.892 3.892 4.232 -0.340 25852 7823 1 12 . 1 1 45 45 GLU CA C 45 56.756 56.756 59.057 -2.301 25852 7824 1 12 . 1 1 45 45 GLU CB C 45 26.393 26.393 29.484 -3.091 25852 7825 1 12 . 1 1 45 45 GLU H H 45 8.781 8.781 8.919 -0.138 25852 7826 1 12 . 1 1 46 46 ALA N N 46 120.833 120.833 121.912 -1.079 25852 7827 1 12 . 1 1 46 46 ALA HA H 46 3.868 3.868 4.404 -0.536 25852 7828 1 12 . 1 1 46 46 ALA CA C 46 52.310 52.310 54.307 -1.997 25852 7829 1 12 . 1 1 46 46 ALA CB C 46 15.394 15.394 18.657 -3.263 25852 7830 1 12 . 1 1 46 46 ALA H H 46 8.251 8.251 8.008 0.243 25852 7831 1 12 . 1 1 47 47 GLU N N 47 118.672 118.672 118.407 0.265 25852 7832 1 12 . 1 1 47 47 GLU HA H 47 3.965 3.965 4.169 -0.204 25852 7833 1 12 . 1 1 47 47 GLU CA C 47 56.641 56.641 58.661 -2.020 25852 7834 1 12 . 1 1 47 47 GLU CB C 47 26.623 26.623 29.647 -3.024 25852 7835 1 12 . 1 1 47 47 GLU H H 47 7.668 7.668 8.510 -0.842 25852 7836 1 12 . 1 1 48 48 LEU N N 48 119.645 119.645 119.168 0.477 25852 7837 1 12 . 1 1 48 48 LEU HA H 48 3.892 3.892 4.158 -0.266 25852 7838 1 12 . 1 1 48 48 LEU CA C 48 55.610 55.610 57.951 -2.341 25852 7839 1 12 . 1 1 48 48 LEU CB C 48 39.340 39.340 41.502 -2.162 25852 7840 1 12 . 1 1 48 48 LEU H H 48 8.244 8.244 7.733 0.511 25852 7841 1 12 . 1 1 49 49 GLN N N 49 117.446 117.446 116.899 0.547 25852 7842 1 12 . 1 1 49 49 GLN HA H 49 3.892 3.892 4.255 -0.363 25852 7843 1 12 . 1 1 49 49 GLN CA C 49 56.756 56.756 57.833 -1.077 25852 7844 1 12 . 1 1 49 49 GLN CB C 49 26.508 26.508 28.736 -2.228 25852 7845 1 12 . 1 1 49 49 GLN H H 49 7.980 7.980 7.667 0.313 25852 7846 1 12 . 1 1 50 50 ASP N N 50 118.733 118.733 121.196 -2.463 25852 7847 1 12 . 1 1 50 50 ASP HA H 50 4.267 4.267 4.567 -0.300 25852 7848 1 12 . 1 1 50 50 ASP CA C 50 54.700 54.700 57.096 -2.396 25852 7849 1 12 . 1 1 50 50 ASP CB C 50 37.622 37.622 41.127 -3.505 25852 7850 1 12 . 1 1 50 50 ASP H H 50 7.761 7.761 7.619 0.142 25852 7851 1 12 . 1 1 51 51 MET N N 51 118.996 118.996 118.191 0.805 25852 7852 1 12 . 1 1 51 51 MET HA H 51 3.892 3.892 4.431 -0.539 25852 7853 1 12 . 1 1 51 51 MET CA C 51 56.560 56.560 57.148 -0.588 25852 7854 1 12 . 1 1 51 51 MET CB C 51 29.601 29.601 32.804 -3.203 25852 7855 1 12 . 1 1 51 51 MET H H 51 7.900 7.900 8.592 -0.692 25852 7856 1 12 . 1 1 52 52 ILE N N 52 118.833 118.833 119.486 -0.653 25852 7857 1 12 . 1 1 52 52 ILE HA H 52 3.348 3.348 3.835 -0.487 25852 7858 1 12 . 1 1 52 52 ILE CA C 52 62.484 62.484 63.136 -0.652 25852 7859 1 12 . 1 1 52 52 ILE CB C 52 35.330 35.330 37.734 -2.404 25852 7860 1 12 . 1 1 52 52 ILE H H 52 8.261 8.261 7.652 0.609 25852 7861 1 12 . 1 1 53 53 ASN N N 53 117.296 117.296 115.159 2.137 25852 7862 1 12 . 1 1 53 53 ASN HA H 53 4.243 4.243 4.513 -0.270 25852 7863 1 12 . 1 1 53 53 ASN CA C 53 53.090 53.090 55.528 -2.438 25852 7864 1 12 . 1 1 53 53 ASN CB C 53 35.330 35.330 39.005 -3.675 25852 7865 1 12 . 1 1 53 53 ASN H H 53 8.186 8.186 7.529 0.657 25852 7866 1 12 . 1 1 54 54 GLU N N 54 117.133 117.133 118.324 -1.191 25852 7867 1 12 . 1 1 54 54 GLU HA H 54 3.965 3.965 4.230 -0.265 25852 7868 1 12 . 1 1 54 54 GLU CA C 54 56.412 56.412 58.349 -1.937 25852 7869 1 12 . 1 1 54 54 GLU CB C 54 26.508 26.508 30.453 -3.945 25852 7870 1 12 . 1 1 54 54 GLU H H 54 7.501 7.501 7.690 -0.189 25852 7871 1 12 . 1 1 55 55 VAL N N 55 112.928 112.928 118.360 -5.432 25852 7872 1 12 . 1 1 55 55 VAL HA H 55 4.194 4.194 3.996 0.198 25852 7873 1 12 . 1 1 55 55 VAL CA C 55 59.505 59.505 64.309 -4.804 25852 7874 1 12 . 1 1 55 55 VAL CB C 55 30.174 30.174 32.110 -1.936 25852 7875 1 12 . 1 1 55 55 VAL H H 55 7.575 7.575 8.271 -0.696 25852 7876 1 12 . 1 1 56 56 ASP N N 56 121.771 121.771 119.966 1.805 25852 7877 1 12 . 1 1 56 56 ASP HA H 56 4.388 4.388 4.500 -0.112 25852 7878 1 12 . 1 1 56 56 ASP CA C 56 50.990 50.990 54.102 -3.112 25852 7879 1 12 . 1 1 56 56 ASP CB C 56 36.820 36.820 39.410 -2.590 25852 7880 1 12 . 1 1 56 56 ASP H H 56 8.401 8.401 7.964 0.437 25852 7881 1 12 . 1 1 57 57 ALA N N 57 124.771 124.771 120.725 4.046 25852 7882 1 12 . 1 1 57 57 ALA HA H 57 4.001 4.001 4.260 -0.259 25852 7883 1 12 . 1 1 57 57 ALA CA C 57 52.402 52.402 53.545 -1.143 25852 7884 1 12 . 1 1 57 57 ALA CB C 57 15.280 15.280 19.018 -3.738 25852 7885 1 12 . 1 1 57 57 ALA H H 57 8.097 8.097 8.114 -0.017 25852 7886 1 12 . 1 1 58 58 ASP N N 58 114.518 114.518 119.880 -5.362 25852 7887 1 12 . 1 1 58 58 ASP HA H 58 4.400 4.400 4.606 -0.206 25852 7888 1 12 . 1 1 58 58 ASP CA C 58 50.798 50.798 54.419 -3.621 25852 7889 1 12 . 1 1 58 58 ASP CB C 58 36.934 36.934 41.312 -4.378 25852 7890 1 12 . 1 1 58 58 ASP H H 58 8.376 8.376 8.142 0.234 25852 7891 1 12 . 1 1 59 59 GLY N N 59 108.798 108.798 106.617 2.181 25852 7892 1 12 . 1 1 59 59 GLY CA C 59 44.490 44.490 45.412 -0.922 25852 7893 1 12 . 1 1 59 59 GLY H H 59 7.827 7.827 8.213 -0.386 25852 7894 1 12 . 1 1 60 60 ASN N N 60 119.696 119.696 117.882 1.814 25852 7895 1 12 . 1 1 60 60 ASN HA H 60 4.688 4.688 4.864 -0.176 25852 7896 1 12 . 1 1 60 60 ASN CA C 60 51.943 51.943 53.014 -1.071 25852 7897 1 12 . 1 1 60 60 ASN CB C 60 38.424 38.424 39.033 -0.609 25852 7898 1 12 . 1 1 60 60 ASN H H 60 9.253 9.253 8.456 0.797 25852 7899 1 12 . 1 1 61 61 GLY N N 61 110.108 110.108 109.871 0.237 25852 7900 1 12 . 1 1 61 61 GLY CA C 61 42.870 42.870 45.745 -2.875 25852 7901 1 12 . 1 1 61 61 GLY H H 61 10.004 10.004 8.301 1.703 25852 7902 1 12 . 1 1 62 62 THR N N 62 110.533 110.533 112.830 -2.297 25852 7903 1 12 . 1 1 62 62 THR HA H 62 4.629 4.629 5.055 -0.426 25852 7904 1 12 . 1 1 62 62 THR CA C 62 59.162 59.162 60.595 -1.433 25852 7905 1 12 . 1 1 62 62 THR CB C 62 67.526 67.526 72.339 -4.813 25852 7906 1 12 . 1 1 62 62 THR H H 62 7.481 7.481 7.423 0.058 25852 7907 1 12 . 1 1 63 63 ILE N N 63 118.533 118.533 122.397 -3.864 25852 7908 1 12 . 1 1 63 63 ILE HA H 63 3.783 3.783 4.325 -0.542 25852 7909 1 12 . 1 1 63 63 ILE CA C 63 60.537 60.537 58.825 1.712 25852 7910 1 12 . 1 1 63 63 ILE CB C 63 36.018 36.018 41.061 -5.043 25852 7911 1 12 . 1 1 63 63 ILE H H 63 8.820 8.820 9.043 -0.223 25852 7912 1 12 . 1 1 64 64 ASP N N 64 122.928 122.928 127.182 -4.254 25852 7913 1 12 . 1 1 64 64 ASP HA H 64 4.327 4.327 4.748 -0.421 25852 7914 1 12 . 1 1 64 64 ASP CA C 64 51.027 51.027 55.252 -4.225 25852 7915 1 12 . 1 1 64 64 ASP CB C 64 37.278 37.278 42.395 -5.117 25852 7916 1 12 . 1 1 64 64 ASP H H 64 8.380 8.380 8.789 -0.409 25852 7917 1 12 . 1 1 65 65 PHE N N 65 118.559 118.559 117.687 0.872 25852 7918 1 12 . 1 1 65 65 PHE HA H 65 3.880 3.880 5.050 -1.170 25852 7919 1 12 . 1 1 65 65 PHE CA C 65 56.870 56.870 60.065 -3.195 25852 7920 1 12 . 1 1 65 65 PHE CB C 65 33.497 33.497 36.181 -2.684 25852 7921 1 12 . 1 1 65 65 PHE H H 65 8.559 8.559 8.292 0.267 25852 7922 1 12 . 1 1 67 67 GLU N N 67 117.546 117.546 114.749 2.797 25852 7923 1 12 . 1 1 67 67 GLU HA H 67 3.904 3.904 4.299 -0.395 25852 7924 1 12 . 1 1 67 67 GLU CA C 67 56.870 56.870 57.012 -0.142 25852 7925 1 12 . 1 1 67 67 GLU CB C 67 26.623 26.623 29.501 -2.878 25852 7926 1 12 . 1 1 67 67 GLU H H 67 7.995 7.995 8.398 -0.403 25852 7927 1 12 . 1 1 68 68 PHE N N 68 122.032 122.032 121.006 1.026 25852 7928 1 12 . 1 1 68 68 PHE HA H 68 3.904 3.904 4.369 -0.465 25852 7929 1 12 . 1 1 68 68 PHE CA C 68 59.047 59.047 61.136 -2.089 25852 7930 1 12 . 1 1 68 68 PHE CB C 68 36.934 36.934 39.931 -2.997 25852 7931 1 12 . 1 1 68 68 PHE H H 68 8.377 8.377 7.628 0.749 25852 7932 1 12 . 1 1 69 69 LEU N N 69 118.488 118.488 118.877 -0.389 25852 7933 1 12 . 1 1 69 69 LEU HA H 69 3.179 3.179 3.914 -0.735 25852 7934 1 12 . 1 1 69 69 LEU CA C 69 55.158 55.158 58.323 -3.165 25852 7935 1 12 . 1 1 69 69 LEU CB C 69 38.195 38.195 41.634 -3.439 25852 7936 1 12 . 1 1 69 69 LEU H H 69 8.393 8.393 7.893 0.500 25852 7937 1 12 . 1 1 70 70 THR N N 70 115.208 115.208 115.421 -0.213 25852 7938 1 12 . 1 1 70 70 THR HA H 70 3.638 3.638 3.924 -0.286 25852 7939 1 12 . 1 1 70 70 THR CA C 70 63.630 63.630 66.449 -2.819 25852 7940 1 12 . 1 1 70 70 THR CB C 70 65.578 65.578 68.482 -2.904 25852 7941 1 12 . 1 1 70 70 THR H H 70 7.658 7.658 8.197 -0.539 25852 7942 1 12 . 1 1 71 71 MET N N 71 121.221 121.221 119.080 2.141 25852 7943 1 12 . 1 1 71 71 MET HA H 71 3.892 3.892 4.226 -0.334 25852 7944 1 12 . 1 1 71 71 MET CA C 71 56.303 56.303 57.446 -1.143 25852 7945 1 12 . 1 1 71 71 MET CB C 71 29.831 29.831 31.450 -1.619 25852 7946 1 12 . 1 1 71 71 MET H H 71 7.653 7.653 7.168 0.485 25852 7947 1 12 . 1 1 72 72 MET N N 72 117.459 117.459 117.022 0.437 25852 7948 1 12 . 1 1 72 72 MET HA H 72 3.892 3.892 4.281 -0.389 25852 7949 1 12 . 1 1 72 72 MET CA C 72 53.777 53.777 57.530 -3.753 25852 7950 1 12 . 1 1 72 72 MET CB C 72 29.029 29.029 32.609 -3.580 25852 7951 1 12 . 1 1 72 72 MET H H 72 7.956 7.956 7.411 0.545 25852 7952 1 12 . 1 1 73 73 ALA N N 73 120.856 120.856 121.917 -1.061 25852 7953 1 12 . 1 1 73 73 ALA HA H 73 3.868 3.868 4.112 -0.244 25852 7954 1 12 . 1 1 73 73 ALA CA C 73 52.402 52.402 54.757 -2.355 25852 7955 1 12 . 1 1 73 73 ALA CB C 73 15.280 15.280 19.004 -3.724 25852 7956 1 12 . 1 1 73 73 ALA H H 73 8.230 8.230 8.288 -0.058 25852 7957 1 12 . 1 1 74 74 ARG N N 74 116.530 116.530 115.561 0.969 25852 7958 1 12 . 1 1 74 74 ARG HA H 74 3.892 3.892 4.149 -0.257 25852 7959 1 12 . 1 1 74 74 ARG CA C 74 56.297 56.297 58.292 -1.995 25852 7960 1 12 . 1 1 74 74 ARG CB C 74 27.997 27.997 29.828 -1.831 25852 7961 1 12 . 1 1 74 74 ARG H H 74 7.409 7.409 7.918 -0.509 25852 7962 1 12 . 1 1 75 75 LYS N N 75 118.008 118.008 118.708 -0.700 25852 7963 1 12 . 1 1 75 75 LYS HA H 75 3.965 3.965 4.195 -0.230 25852 7964 1 12 . 1 1 75 75 LYS CA C 75 55.495 55.495 58.309 -2.814 25852 7965 1 12 . 1 1 75 75 LYS CB C 75 26.279 26.279 32.732 -6.453 25852 7966 1 12 . 1 1 75 75 LYS H H 75 7.657 7.657 7.689 -0.032 25852 7967 1 12 . 1 1 76 76 MET N N 76 117.646 117.646 113.756 3.890 25852 7968 1 12 . 1 1 76 76 MET HA H 76 4.146 4.146 4.652 -0.506 25852 7969 1 12 . 1 1 76 76 MET CA C 76 53.947 53.947 56.318 -2.371 25852 7970 1 12 . 1 1 76 76 MET CB C 76 29.487 29.487 34.462 -4.974 25852 7971 1 12 . 1 1 76 76 MET H H 76 7.883 7.883 7.473 0.410 25852 7972 1 12 . 1 1 77 77 LYS N N 77 120.334 120.334 120.619 -0.285 25852 7973 1 12 . 1 1 77 77 LYS HA H 77 3.941 3.941 4.074 -0.133 25852 7974 1 12 . 1 1 77 77 LYS CA C 77 56.526 56.526 58.714 -2.188 25852 7975 1 12 . 1 1 77 77 LYS CB C 77 27.425 27.425 32.405 -4.980 25852 7976 1 12 . 1 1 77 77 LYS H H 77 7.658 7.658 8.071 -0.413 25852 7977 1 12 . 1 1 78 78 ASP N N 78 121.733 121.733 116.625 5.108 25852 7978 1 12 . 1 1 78 78 ASP HA H 78 4.194 4.194 4.742 -0.548 25852 7979 1 12 . 1 1 78 78 ASP CA C 78 52.516 52.516 55.284 -2.768 25852 7980 1 12 . 1 1 78 78 ASP CB C 78 40.028 40.028 41.805 -1.777 25852 7981 1 12 . 1 1 78 78 ASP H H 78 8.212 8.212 8.170 0.042 25852 7982 1 12 . 1 1 79 79 THR N N 79 114.651 114.651 117.700 -3.049 25852 7983 1 12 . 1 1 79 79 THR HA H 79 4.170 4.170 4.207 -0.037 25852 7984 1 12 . 1 1 79 79 THR CA C 79 59.391 59.391 62.815 -3.424 25852 7985 1 12 . 1 1 79 79 THR CB C 79 67.067 67.067 69.092 -2.025 25852 7986 1 12 . 1 1 79 79 THR H H 79 8.048 8.048 7.462 0.586 25852 7987 1 12 . 1 1 80 80 ASP N N 80 122.484 122.484 128.019 -5.535 25852 7988 1 12 . 1 1 80 80 ASP HA H 80 4.363 4.363 4.491 -0.128 25852 7989 1 12 . 1 1 80 80 ASP CA C 80 50.850 50.850 55.563 -4.713 25852 7990 1 12 . 1 1 80 80 ASP CB C 80 36.705 36.705 41.882 -5.177 25852 7991 1 12 . 1 1 80 80 ASP H H 80 8.432 8.432 8.336 0.096 25852 7992 1 12 . 1 1 81 81 SER N N 81 117.135 117.135 116.064 1.071 25852 7993 1 12 . 1 1 81 81 SER HA H 81 4.267 4.267 4.572 -0.305 25852 7994 1 12 . 1 1 81 81 SER CA C 81 56.870 56.870 60.483 -3.613 25852 7995 1 12 . 1 1 81 81 SER CB C 81 60.884 60.884 63.489 -2.605 25852 7996 1 12 . 1 1 81 81 SER H H 81 8.403 8.403 8.572 -0.169 25852 7997 1 12 . 1 1 82 82 GLU N N 82 121.723 121.723 120.500 1.223 25852 7998 1 12 . 1 1 82 82 GLU HA H 82 3.883 3.883 4.343 -0.460 25852 7999 1 12 . 1 1 82 82 GLU CA C 82 56.707 56.707 58.634 -1.927 25852 8000 1 12 . 1 1 82 82 GLU CB C 82 29.831 29.831 29.345 0.486 25852 8001 1 12 . 1 1 82 82 GLU H H 82 8.443 8.443 8.286 0.157 25852 8002 1 12 . 1 1 83 83 GLU N N 83 119.259 119.259 118.278 0.981 25852 8003 1 12 . 1 1 83 83 GLU HA H 83 3.883 3.883 4.151 -0.268 25852 8004 1 12 . 1 1 83 83 GLU CA C 83 56.606 56.606 58.592 -1.986 25852 8005 1 12 . 1 1 83 83 GLU CB C 83 29.364 29.364 29.268 0.096 25852 8006 1 12 . 1 1 83 83 GLU H H 83 8.118 8.118 8.630 -0.512 25852 8007 1 12 . 1 1 84 84 GLU N N 84 118.060 118.060 118.043 0.017 25852 8008 1 12 . 1 1 84 84 GLU HA H 84 3.871 3.871 4.355 -0.484 25852 8009 1 12 . 1 1 84 84 GLU CA C 84 56.606 56.606 58.590 -1.984 25852 8010 1 12 . 1 1 84 84 GLU CB C 84 25.817 25.817 29.524 -3.707 25852 8011 1 12 . 1 1 84 84 GLU H H 84 8.212 8.212 7.601 0.611 25852 8012 1 12 . 1 1 85 85 ILE N N 85 120.736 120.736 118.184 2.552 25852 8013 1 12 . 1 1 85 85 ILE HA H 85 3.678 3.678 4.106 -0.428 25852 8014 1 12 . 1 1 85 85 ILE CA C 85 62.484 62.484 64.124 -1.640 25852 8015 1 12 . 1 1 85 85 ILE CB C 85 35.445 35.445 38.716 -3.271 25852 8016 1 12 . 1 1 85 85 ILE H H 85 7.964 7.964 7.408 0.556 25852 8017 1 12 . 1 1 86 86 ARG N N 86 121.452 121.452 120.597 0.855 25852 8018 1 12 . 1 1 86 86 ARG HA H 86 3.989 3.989 4.312 -0.323 25852 8019 1 12 . 1 1 86 86 ARG CA C 86 56.985 56.985 58.979 -1.994 25852 8020 1 12 . 1 1 86 86 ARG CB C 86 26.856 26.856 29.032 -2.176 25852 8021 1 12 . 1 1 86 86 ARG H H 86 8.351 8.351 8.215 0.136 25852 8022 1 12 . 1 1 87 87 GLU N N 87 118.288 118.288 120.575 -2.287 25852 8023 1 12 . 1 1 87 87 GLU HA H 87 3.861 3.861 4.306 -0.445 25852 8024 1 12 . 1 1 87 87 GLU CA C 87 56.606 56.606 58.367 -1.761 25852 8025 1 12 . 1 1 87 87 GLU CB C 87 25.817 25.817 29.106 -3.289 25852 8026 1 12 . 1 1 87 87 GLU H H 87 8.238 8.238 8.098 0.140 25852 8027 1 12 . 1 1 88 88 ALA N N 88 120.408 120.408 121.845 -1.437 25852 8028 1 12 . 1 1 88 88 ALA HA H 88 4.013 4.013 4.180 -0.167 25852 8029 1 12 . 1 1 88 88 ALA CA C 88 52.263 52.263 54.625 -2.362 25852 8030 1 12 . 1 1 88 88 ALA CB C 88 15.080 15.080 18.306 -3.226 25852 8031 1 12 . 1 1 88 88 ALA H H 88 7.960 7.960 8.495 -0.535 25852 8032 1 12 . 1 1 89 89 PHE N N 89 118.123 118.123 116.274 1.849 25852 8033 1 12 . 1 1 89 89 PHE HA H 89 3.058 3.058 4.287 -1.229 25852 8034 1 12 . 1 1 89 89 PHE CA C 89 59.703 59.703 59.246 0.457 25852 8035 1 12 . 1 1 89 89 PHE CB C 89 36.774 36.774 39.529 -2.756 25852 8036 1 12 . 1 1 89 89 PHE H H 89 8.498 8.498 7.575 0.923 25852 8037 1 12 . 1 1 90 90 ARG N N 90 116.002 116.002 118.568 -2.566 25852 8038 1 12 . 1 1 90 90 ARG HA H 90 3.892 3.892 3.742 0.150 25852 8039 1 12 . 1 1 90 90 ARG CA C 90 56.168 56.168 57.871 -1.704 25852 8040 1 12 . 1 1 90 90 ARG CB C 90 27.654 27.654 30.648 -2.994 25852 8041 1 12 . 1 1 90 90 ARG H H 90 7.860 7.860 7.528 0.332 25852 8042 1 12 . 1 1 91 91 VAL N N 91 118.008 118.008 119.217 -1.209 25852 8043 1 12 . 1 1 91 91 VAL HA H 91 3.243 3.243 3.713 -0.470 25852 8044 1 12 . 1 1 91 91 VAL CA C 91 63.357 63.357 65.897 -2.540 25852 8045 1 12 . 1 1 91 91 VAL CB C 91 28.444 28.444 32.451 -4.007 25852 8046 1 12 . 1 1 91 91 VAL H H 91 7.300 7.300 7.824 -0.524 25852 8047 1 12 . 1 1 92 92 PHE N N 92 113.024 113.024 115.294 -2.270 25852 8048 1 12 . 1 1 92 92 PHE HA H 92 3.967 3.967 4.337 -0.370 25852 8049 1 12 . 1 1 92 92 PHE CA C 92 57.558 57.558 59.435 -1.877 25852 8050 1 12 . 1 1 92 92 PHE CB C 92 38.838 38.838 40.961 -2.123 25852 8051 1 12 . 1 1 92 92 PHE H H 92 6.805 6.805 7.902 -1.097 25852 8052 1 12 . 1 1 93 93 ASP N N 93 116.393 116.393 119.950 -3.557 25852 8053 1 12 . 1 1 93 93 ASP HA H 93 4.496 4.496 4.570 -0.074 25852 8054 1 12 . 1 1 93 93 ASP CA C 93 49.525 49.525 55.219 -5.694 25852 8055 1 12 . 1 1 93 93 ASP CB C 93 35.788 35.788 40.495 -4.707 25852 8056 1 12 . 1 1 93 93 ASP H H 93 8.018 8.018 7.574 0.444 25852 8057 1 12 . 1 1 94 94 LYS N N 94 125.158 125.158 125.228 -0.070 25852 8058 1 12 . 1 1 94 94 LYS HA H 94 3.892 3.892 4.185 -0.293 25852 8059 1 12 . 1 1 94 94 LYS CA C 94 56.183 56.183 57.648 -1.465 25852 8060 1 12 . 1 1 94 94 LYS CB C 94 29.945 29.945 32.800 -2.855 25852 8061 1 12 . 1 1 94 94 LYS H H 94 7.721 7.721 8.745 -1.024 25852 8062 1 12 . 1 1 95 95 ASP N N 95 113.893 113.893 118.264 -4.371 25852 8063 1 12 . 1 1 95 95 ASP HA H 95 4.415 4.415 4.478 -0.063 25852 8064 1 12 . 1 1 95 95 ASP CA C 95 50.683 50.683 54.754 -4.071 25852 8065 1 12 . 1 1 95 95 ASP CB C 95 36.774 36.774 41.133 -4.359 25852 8066 1 12 . 1 1 95 95 ASP H H 95 8.156 8.156 8.522 -0.366 25852 8067 1 12 . 1 1 96 96 GLY N N 96 108.799 108.799 107.496 1.303 25852 8068 1 12 . 1 1 96 96 GLY CA C 96 44.344 44.344 46.251 -1.907 25852 8069 1 12 . 1 1 96 96 GLY H H 96 7.717 7.717 8.492 -0.775 25852 8070 1 12 . 1 1 97 97 ASN N N 97 119.381 119.381 118.407 0.974 25852 8071 1 12 . 1 1 97 97 ASN HA H 97 4.500 4.500 4.799 -0.299 25852 8072 1 12 . 1 1 97 97 ASN CA C 97 49.916 49.916 53.062 -3.146 25852 8073 1 12 . 1 1 97 97 ASN CB C 97 35.183 35.183 39.168 -3.985 25852 8074 1 12 . 1 1 97 97 ASN H H 97 8.312 8.312 8.318 -0.006 25852 8075 1 12 . 1 1 98 98 GLY N N 98 112.330 112.330 107.490 4.840 25852 8076 1 12 . 1 1 98 98 GLY CA C 98 42.434 42.434 45.477 -3.043 25852 8077 1 12 . 1 1 98 98 GLY H H 98 10.555 10.555 8.057 2.498 25852 8078 1 12 . 1 1 99 99 TYR N N 99 116.075 116.075 119.715 -3.640 25852 8079 1 12 . 1 1 99 99 TYR HA H 99 4.871 4.871 4.774 0.097 25852 8080 1 12 . 1 1 99 99 TYR CA C 99 53.582 53.582 56.037 -2.455 25852 8081 1 12 . 1 1 99 99 TYR CB C 99 39.981 39.981 39.261 0.720 25852 8082 1 12 . 1 1 99 99 TYR H H 99 7.650 7.650 7.629 0.021 25852 8083 1 12 . 1 1 100 100 ILE N N 100 126.834 126.834 126.410 0.424 25852 8084 1 12 . 1 1 100 100 ILE HA H 100 4.493 4.493 4.399 0.094 25852 8085 1 12 . 1 1 100 100 ILE CA C 100 58.616 58.616 61.434 -2.818 25852 8086 1 12 . 1 1 100 100 ILE CB C 100 35.903 35.903 36.586 -0.683 25852 8087 1 12 . 1 1 100 100 ILE H H 100 10.037 10.037 8.610 1.427 25852 8088 1 12 . 1 1 101 101 SER N N 101 123.486 123.486 123.422 0.064 25852 8089 1 12 . 1 1 101 101 SER HA H 101 4.738 4.738 4.604 0.134 25852 8090 1 12 . 1 1 101 101 SER CA C 101 52.897 52.897 57.602 -4.705 25852 8091 1 12 . 1 1 101 101 SER CB C 101 64.134 64.134 64.728 -0.594 25852 8092 1 12 . 1 1 101 101 SER H H 101 8.904 8.904 9.254 -0.350 25852 8093 1 12 . 1 1 102 102 ALA N N 102 122.796 122.796 122.440 0.356 25852 8094 1 12 . 1 1 102 102 ALA HA H 102 3.747 3.747 4.119 -0.372 25852 8095 1 12 . 1 1 102 102 ALA CA C 102 53.093 53.093 54.532 -1.439 25852 8096 1 12 . 1 1 102 102 ALA CB C 102 15.114 15.114 18.353 -3.239 25852 8097 1 12 . 1 1 102 102 ALA H H 102 9.246 9.246 8.867 0.379 25852 8098 1 12 . 1 1 103 103 ALA N N 103 118.362 118.362 119.421 -1.059 25852 8099 1 12 . 1 1 103 103 ALA HA H 103 3.861 3.861 4.226 -0.365 25852 8100 1 12 . 1 1 103 103 ALA CA C 103 52.409 52.409 53.936 -1.527 25852 8101 1 12 . 1 1 103 103 ALA CB C 103 15.456 15.456 19.317 -3.861 25852 8102 1 12 . 1 1 103 103 ALA H H 103 8.214 8.214 7.732 0.482 25852 8103 1 12 . 1 1 104 104 GLU N N 104 120.187 120.187 119.952 0.235 25852 8104 1 12 . 1 1 104 104 GLU HA H 104 3.904 3.904 4.160 -0.256 25852 8105 1 12 . 1 1 104 104 GLU CA C 104 56.563 56.563 58.881 -2.318 25852 8106 1 12 . 1 1 104 104 GLU CB C 104 26.400 26.400 29.968 -3.568 25852 8107 1 12 . 1 1 104 104 GLU H H 104 7.864 7.864 7.780 0.084 25852 8108 1 12 . 1 1 105 105 LEU N N 105 121.050 121.050 119.202 1.848 25852 8109 1 12 . 1 1 105 105 LEU HA H 105 3.892 3.892 4.375 -0.483 25852 8110 1 12 . 1 1 105 105 LEU CA C 105 55.732 55.732 58.265 -2.533 25852 8111 1 12 . 1 1 105 105 LEU CB C 105 39.340 39.340 41.405 -2.065 25852 8112 1 12 . 1 1 105 105 LEU H H 105 8.341 8.341 8.411 -0.070 25852 8113 1 12 . 1 1 106 106 ARG N N 106 118.494 118.494 120.377 -1.883 25852 8114 1 12 . 1 1 106 106 ARG HA H 106 3.904 3.904 4.113 -0.209 25852 8115 1 12 . 1 1 106 106 ARG CA C 106 55.724 55.724 58.641 -2.917 25852 8116 1 12 . 1 1 106 106 ARG CB C 106 29.945 29.945 29.414 0.531 25852 8117 1 12 . 1 1 106 106 ARG H H 106 8.852 8.852 7.751 1.101 25852 8118 1 12 . 1 1 107 107 HIS N N 107 118.921 118.921 119.442 -0.521 25852 8119 1 12 . 1 1 107 107 HIS HA H 107 3.876 3.876 4.422 -0.546 25852 8120 1 12 . 1 1 107 107 HIS CA C 107 56.807 56.807 59.268 -2.461 25852 8121 1 12 . 1 1 107 107 HIS CB C 107 27.198 27.198 30.284 -3.086 25852 8122 1 12 . 1 1 107 107 HIS H H 107 8.045 8.045 8.516 -0.471 25852 8123 1 12 . 1 1 108 108 VAL N N 108 118.991 118.991 120.472 -1.481 25852 8124 1 12 . 1 1 108 108 VAL HA H 108 3.385 3.385 3.501 -0.116 25852 8125 1 12 . 1 1 108 108 VAL CA C 108 64.285 64.285 66.362 -2.078 25852 8126 1 12 . 1 1 108 108 VAL CB C 108 28.908 28.908 30.981 -2.073 25852 8127 1 12 . 1 1 108 108 VAL H H 108 7.766 7.766 8.468 -0.702 25852 8128 1 12 . 1 1 109 109 MET N N 109 115.789 115.789 119.175 -3.386 25852 8129 1 12 . 1 1 109 109 MET HA H 109 4.139 4.139 3.984 0.155 25852 8130 1 12 . 1 1 109 109 MET CA C 109 54.461 54.461 59.945 -5.484 25852 8131 1 12 . 1 1 109 109 MET CB C 109 29.706 29.706 32.458 -2.752 25852 8132 1 12 . 1 1 109 109 MET H H 109 8.333 8.333 8.482 -0.149 25852 8133 1 12 . 1 1 110 110 THR N N 110 116.700 116.700 113.056 3.644 25852 8134 1 12 . 1 1 110 110 THR HA H 110 3.935 3.935 4.097 -0.162 25852 8135 1 12 . 1 1 110 110 THR CA C 110 63.845 63.845 65.031 -1.186 25852 8136 1 12 . 1 1 110 110 THR CB C 110 66.072 66.072 68.337 -2.265 25852 8137 1 12 . 1 1 110 110 THR H H 110 8.603 8.603 8.369 0.234 25852 8138 1 12 . 1 1 111 111 ASN N N 111 123.354 123.354 119.284 4.070 25852 8139 1 12 . 1 1 111 111 ASN HA H 111 4.242 4.242 4.499 -0.257 25852 8140 1 12 . 1 1 111 111 ASN CA C 111 53.093 53.093 55.301 -2.208 25852 8141 1 12 . 1 1 111 111 ASN CB C 111 35.292 35.292 38.745 -3.453 25852 8142 1 12 . 1 1 111 111 ASN H H 111 7.991 7.991 7.400 0.591 25852 8143 1 12 . 1 1 112 112 LEU N N 112 118.291 118.291 117.622 0.669 25852 8144 1 12 . 1 1 112 112 LEU HA H 112 4.182 4.182 4.231 -0.049 25852 8145 1 12 . 1 1 112 112 LEU CA C 112 52.653 52.653 56.115 -3.462 25852 8146 1 12 . 1 1 112 112 LEU CB C 112 39.738 39.738 42.740 -3.002 25852 8147 1 12 . 1 1 112 112 LEU H H 112 7.754 7.754 7.943 -0.189 25852 8148 1 12 . 1 1 113 113 GLY N N 113 106.894 106.894 104.678 2.216 25852 8149 1 12 . 1 1 113 113 GLY CA C 113 42.536 42.536 44.584 -2.047 25852 8150 1 12 . 1 1 113 113 GLY H H 113 7.778 7.778 8.155 -0.377 25852 8151 1 12 . 1 1 114 114 GLU N N 114 119.776 119.776 121.661 -1.885 25852 8152 1 12 . 1 1 114 114 GLU HA H 114 4.267 4.267 4.517 -0.250 25852 8153 1 12 . 1 1 114 114 GLU CA C 114 52.067 52.067 55.254 -3.187 25852 8154 1 12 . 1 1 114 114 GLU CB C 114 26.616 26.616 32.311 -5.695 25852 8155 1 12 . 1 1 114 114 GLU H H 114 7.957 7.957 8.472 -0.515 25852 8156 1 12 . 1 1 115 115 LYS N N 115 124.429 124.429 121.162 3.267 25852 8157 1 12 . 1 1 115 115 LYS HA H 115 4.255 4.255 4.518 -0.263 25852 8158 1 12 . 1 1 115 115 LYS CA C 115 52.848 52.848 55.410 -2.562 25852 8159 1 12 . 1 1 115 115 LYS CB C 115 30.518 30.518 33.646 -3.128 25852 8160 1 12 . 1 1 115 115 LYS H H 115 8.591 8.591 8.412 0.179 25852 8161 1 12 . 1 1 116 116 LEU N N 116 124.724 124.724 125.185 -0.461 25852 8162 1 12 . 1 1 116 116 LEU HA H 116 4.690 4.690 4.831 -0.141 25852 8163 1 12 . 1 1 116 116 LEU CA C 116 51.089 51.089 53.958 -2.869 25852 8164 1 12 . 1 1 116 116 LEU CB C 116 42.588 42.588 44.637 -2.049 25852 8165 1 12 . 1 1 116 116 LEU H H 116 8.066 8.066 8.476 -0.410 25852 8166 1 12 . 1 1 117 117 THR N N 117 113.912 113.912 117.795 -3.883 25852 8167 1 12 . 1 1 117 117 THR HA H 117 4.302 4.302 4.401 -0.099 25852 8168 1 12 . 1 1 117 117 THR CA C 117 57.834 57.834 61.911 -4.077 25852 8169 1 12 . 1 1 117 117 THR CB C 117 68.580 68.580 70.998 -2.418 25852 8170 1 12 . 1 1 117 117 THR H H 117 9.165 9.165 8.920 0.245 25852 8171 1 12 . 1 1 118 118 ASP N N 118 120.787 120.787 120.106 0.681 25852 8172 1 12 . 1 1 118 118 ASP HA H 118 4.061 4.061 4.459 -0.398 25852 8173 1 12 . 1 1 118 118 ASP CA C 118 55.243 55.243 57.644 -2.401 25852 8174 1 12 . 1 1 118 118 ASP CB C 118 37.002 37.002 40.946 -3.944 25852 8175 1 12 . 1 1 118 118 ASP H H 118 8.860 8.860 8.773 0.087 25852 8176 1 12 . 1 1 119 119 GLU N N 119 119.091 119.091 117.435 1.656 25852 8177 1 12 . 1 1 119 119 GLU HA H 119 3.892 3.892 4.260 -0.368 25852 8178 1 12 . 1 1 119 119 GLU CA C 119 57.149 57.149 57.620 -0.471 25852 8179 1 12 . 1 1 119 119 GLU CB C 119 25.931 25.931 29.244 -3.313 25852 8180 1 12 . 1 1 119 119 GLU H H 119 8.618 8.618 8.671 -0.053 25852 8181 1 12 . 1 1 120 120 GLU N N 120 120.037 120.037 117.746 2.291 25852 8182 1 12 . 1 1 120 120 GLU HA H 120 3.880 3.880 4.224 -0.344 25852 8183 1 12 . 1 1 120 120 GLU CA C 120 56.319 56.319 57.688 -1.369 25852 8184 1 12 . 1 1 120 120 GLU CB C 120 25.830 25.830 29.787 -3.957 25852 8185 1 12 . 1 1 120 120 GLU H H 120 7.659 7.659 8.464 -0.805 25852 8186 1 12 . 1 1 121 121 VAL N N 121 122.512 122.512 113.814 8.698 25852 8187 1 12 . 1 1 121 121 VAL HA H 121 3.385 3.385 4.023 -0.638 25852 8188 1 12 . 1 1 121 121 VAL CA C 121 64.090 64.090 63.783 0.307 25852 8189 1 12 . 1 1 121 121 VAL CB C 121 28.680 28.680 32.320 -3.640 25852 8190 1 12 . 1 1 121 121 VAL H H 121 7.887 7.887 7.329 0.558 25852 8191 1 12 . 1 1 122 122 ASP N N 122 119.993 119.993 121.410 -1.417 25852 8192 1 12 . 1 1 122 122 ASP HA H 122 4.157 4.157 4.507 -0.350 25852 8193 1 12 . 1 1 122 122 ASP CA C 122 54.901 54.901 56.259 -1.358 25852 8194 1 12 . 1 1 122 122 ASP CB C 122 37.572 37.572 39.834 -2.262 25852 8195 1 12 . 1 1 122 122 ASP H H 122 7.973 7.973 8.317 -0.344 25852 8196 1 12 . 1 1 123 123 GLU N N 123 119.521 119.521 114.490 5.031 25852 8197 1 12 . 1 1 123 123 GLU HA H 123 3.880 3.880 4.504 -0.624 25852 8198 1 12 . 1 1 123 123 GLU CA C 123 56.612 56.612 56.647 -0.035 25852 8199 1 12 . 1 1 123 123 GLU CB C 123 26.172 26.172 31.259 -5.087 25852 8200 1 12 . 1 1 123 123 GLU H H 123 7.903 7.903 8.185 -0.282 25852 8201 1 12 . 1 1 124 124 MET N N 124 118.961 118.961 117.888 1.073 25852 8202 1 12 . 1 1 124 124 MET HA H 124 3.892 3.892 4.521 -0.629 25852 8203 1 12 . 1 1 124 124 MET CA C 124 56.905 56.905 57.087 -0.182 25852 8204 1 12 . 1 1 124 124 MET CB C 124 29.250 29.250 33.466 -4.216 25852 8205 1 12 . 1 1 124 124 MET H H 124 7.496 7.496 8.068 -0.572 25852 8206 1 12 . 1 1 125 125 ILE N N 125 117.801 117.801 119.627 -1.826 25852 8207 1 12 . 1 1 125 125 ILE HA H 125 3.409 3.409 3.892 -0.483 25852 8208 1 12 . 1 1 125 125 ILE CA C 125 60.131 60.131 64.169 -4.038 25852 8209 1 12 . 1 1 125 125 ILE CB C 125 33.240 33.240 38.082 -4.842 25852 8210 1 12 . 1 1 125 125 ILE H H 125 7.762 7.762 8.044 -0.282 25852 8211 1 12 . 1 1 126 126 ARG N N 126 117.729 117.729 118.350 -0.621 25852 8212 1 12 . 1 1 126 126 ARG HA H 126 3.883 3.883 4.010 -0.127 25852 8213 1 12 . 1 1 126 126 ARG CA C 126 56.673 56.673 59.462 -2.789 25852 8214 1 12 . 1 1 126 126 ARG CB C 126 29.478 29.478 29.922 -0.444 25852 8215 1 12 . 1 1 126 126 ARG H H 126 8.055 8.055 8.642 -0.587 25852 8216 1 12 . 1 1 127 127 GLU N N 127 117.539 117.539 116.042 1.497 25852 8217 1 12 . 1 1 127 127 GLU HA H 127 3.861 3.861 4.165 -0.304 25852 8218 1 12 . 1 1 127 127 GLU CA C 127 56.319 56.319 58.180 -1.861 25852 8219 1 12 . 1 1 127 127 GLU CB C 127 26.286 26.286 29.368 -3.082 25852 8220 1 12 . 1 1 127 127 GLU H H 127 7.700 7.700 8.268 -0.568 25852 8221 1 12 . 1 1 128 128 ALA N N 128 116.677 116.677 119.644 -2.967 25852 8222 1 12 . 1 1 128 128 ALA HA H 128 4.500 4.500 4.365 0.135 25852 8223 1 12 . 1 1 128 128 ALA CA C 128 48.205 48.205 51.869 -3.664 25852 8224 1 12 . 1 1 128 128 ALA CB C 128 19.633 19.633 20.537 -0.904 25852 8225 1 12 . 1 1 128 128 ALA H H 128 7.223 7.223 7.287 -0.064 25852 8226 1 12 . 1 1 129 129 ASP N N 129 118.030 118.030 118.944 -0.914 25852 8227 1 12 . 1 1 129 129 ASP HA H 129 4.460 4.460 4.747 -0.287 25852 8228 1 12 . 1 1 129 129 ASP CA C 129 51.485 51.485 56.203 -4.718 25852 8229 1 12 . 1 1 129 129 ASP CB C 129 38.195 38.195 41.084 -2.889 25852 8230 1 12 . 1 1 129 129 ASP H H 129 7.895 7.895 8.235 -0.340 25852 8231 1 12 . 1 1 130 130 ILE N N 130 127.693 127.693 126.132 1.561 25852 8232 1 12 . 1 1 130 130 ILE HA H 130 3.797 3.797 3.984 -0.187 25852 8233 1 12 . 1 1 130 130 ILE CA C 130 60.522 60.522 63.425 -2.903 25852 8234 1 12 . 1 1 130 130 ILE CB C 130 36.090 36.090 38.736 -2.646 25852 8235 1 12 . 1 1 130 130 ILE H H 130 8.148 8.148 9.051 -0.903 25852 8236 1 12 . 1 1 131 131 ASP N N 131 116.409 116.409 119.952 -3.543 25852 8237 1 12 . 1 1 131 131 ASP HA H 131 4.376 4.376 4.621 -0.245 25852 8238 1 12 . 1 1 131 131 ASP CA C 131 51.187 51.187 54.669 -3.482 25852 8239 1 12 . 1 1 131 131 ASP CB C 131 37.468 37.468 42.094 -4.626 25852 8240 1 12 . 1 1 131 131 ASP H H 131 8.288 8.288 8.125 0.163 25852 8241 1 12 . 1 1 132 132 GLY N N 132 108.363 108.363 109.108 -0.745 25852 8242 1 12 . 1 1 132 132 GLY CA C 132 44.638 44.638 45.250 -0.612 25852 8243 1 12 . 1 1 132 132 GLY H H 132 7.630 7.630 8.642 -1.012 25852 8244 1 12 . 1 1 133 133 ASP N N 133 120.183 120.183 120.644 -0.461 25852 8245 1 12 . 1 1 133 133 ASP HA H 133 4.329 4.329 4.579 -0.250 25852 8246 1 12 . 1 1 133 133 ASP CA C 133 50.942 50.942 54.613 -3.671 25852 8247 1 12 . 1 1 133 133 ASP CB C 133 37.458 37.458 41.962 -4.504 25852 8248 1 12 . 1 1 133 133 ASP H H 133 8.298 8.298 8.490 -0.192 25852 8249 1 12 . 1 1 134 134 GLY N N 134 112.149 112.149 107.557 4.592 25852 8250 1 12 . 1 1 134 134 GLY CA C 134 43.122 43.122 44.959 -1.837 25852 8251 1 12 . 1 1 134 134 GLY H H 134 10.079 10.079 7.986 2.093 25852 8252 1 12 . 1 1 135 135 GLN N N 135 115.069 115.069 117.903 -2.834 25852 8253 1 12 . 1 1 135 135 GLN HA H 135 4.844 4.844 4.585 0.259 25852 8254 1 12 . 1 1 135 135 GLN CA C 135 50.454 50.454 54.626 -4.172 25852 8255 1 12 . 1 1 135 135 GLN CB C 135 30.614 30.614 32.308 -1.694 25852 8256 1 12 . 1 1 135 135 GLN H H 135 7.922 7.922 7.693 0.229 25852 8257 1 12 . 1 1 136 136 VAL N N 136 125.107 125.107 126.388 -1.281 25852 8258 1 12 . 1 1 136 136 VAL HA H 136 5.096 5.096 4.878 0.218 25852 8259 1 12 . 1 1 136 136 VAL CA C 136 58.713 58.713 61.488 -2.775 25852 8260 1 12 . 1 1 136 136 VAL CB C 136 31.416 31.416 33.116 -1.700 25852 8261 1 12 . 1 1 136 136 VAL H H 136 9.046 9.046 8.855 0.191 25852 8262 1 12 . 1 1 137 137 ASN N N 137 128.858 128.858 125.184 3.674 25852 8263 1 12 . 1 1 137 137 ASN HA H 137 5.226 5.226 4.976 0.250 25852 8264 1 12 . 1 1 137 137 ASN CA C 137 48.352 48.352 52.929 -4.577 25852 8265 1 12 . 1 1 137 137 ASN CB C 137 35.640 35.640 40.117 -4.477 25852 8266 1 12 . 1 1 137 137 ASN H H 137 9.458 9.458 9.252 0.206 25852 8267 1 12 . 1 1 138 138 TYR N N 138 118.481 118.481 119.786 -1.305 25852 8268 1 12 . 1 1 138 138 TYR HA H 138 3.603 3.603 4.311 -0.708 25852 8269 1 12 . 1 1 138 138 TYR CA C 138 59.669 59.669 62.799 -3.130 25852 8270 1 12 . 1 1 138 138 TYR CB C 138 37.572 37.572 38.055 -0.483 25852 8271 1 12 . 1 1 138 138 TYR H H 138 8.235 8.235 9.187 -0.952 25852 8272 1 12 . 1 1 139 139 GLU N N 139 118.474 118.474 118.851 -0.377 25852 8273 1 12 . 1 1 139 139 GLU HA H 139 3.868 3.868 4.156 -0.288 25852 8274 1 12 . 1 1 139 139 GLU CA C 139 57.540 57.540 59.426 -1.886 25852 8275 1 12 . 1 1 139 139 GLU CB C 139 26.274 26.274 28.946 -2.672 25852 8276 1 12 . 1 1 139 139 GLU H H 139 8.067 8.067 9.057 -0.990 25852 8277 1 12 . 1 1 140 140 GLU N N 140 119.279 119.279 119.137 0.142 25852 8278 1 12 . 1 1 140 140 GLU HA H 140 3.880 3.880 4.230 -0.350 25852 8279 1 12 . 1 1 140 140 GLU CA C 140 56.025 56.025 58.562 -2.537 25852 8280 1 12 . 1 1 140 140 GLU CB C 140 26.274 26.274 29.791 -3.517 25852 8281 1 12 . 1 1 140 140 GLU H H 140 8.742 8.742 8.563 0.179 25852 8282 1 12 . 1 1 141 141 PHE N N 141 124.141 124.141 119.913 4.228 25852 8283 1 12 . 1 1 141 141 PHE HA H 141 3.602 3.602 4.171 -0.569 25852 8284 1 12 . 1 1 141 141 PHE CA C 141 59.447 59.447 60.575 -1.128 25852 8285 1 12 . 1 1 141 141 PHE CB C 141 37.686 37.686 39.179 -1.494 25852 8286 1 12 . 1 1 141 141 PHE H H 141 8.593 8.593 7.864 0.729 25852 8287 1 12 . 1 1 142 142 VAL N N 142 118.383 118.383 117.872 0.511 25852 8288 1 12 . 1 1 142 142 VAL HA H 142 2.986 2.986 3.772 -0.786 25852 8289 1 12 . 1 1 142 142 VAL CA C 142 64.432 64.432 65.611 -1.179 25852 8290 1 12 . 1 1 142 142 VAL CB C 142 28.908 28.908 32.117 -3.209 25852 8291 1 12 . 1 1 142 142 VAL H H 142 8.776 8.776 8.009 0.767 25852 8292 1 12 . 1 1 143 143 GLN N N 143 119.891 119.891 120.158 -0.267 25852 8293 1 12 . 1 1 143 143 GLN HA H 143 3.671 3.671 4.088 -0.417 25852 8294 1 12 . 1 1 143 143 GLN CA C 143 56.514 56.514 58.386 -1.871 25852 8295 1 12 . 1 1 143 143 GLN CB C 143 25.246 25.246 28.565 -3.319 25852 8296 1 12 . 1 1 143 143 GLN H H 143 7.787 7.787 7.881 -0.094 25852 8297 1 12 . 1 1 144 144 MET N N 144 118.429 118.429 116.505 1.924 25852 8298 1 12 . 1 1 144 144 MET HA H 144 3.892 3.892 4.310 -0.418 25852 8299 1 12 . 1 1 144 144 MET CA C 144 55.683 55.683 55.834 -0.151 25852 8300 1 12 . 1 1 144 144 MET CB C 144 28.110 28.110 31.454 -3.344 25852 8301 1 12 . 1 1 144 144 MET H H 144 7.450 7.450 7.610 -0.160 25852 8302 1 12 . 1 1 145 145 MET N N 145 114.145 114.145 115.752 -1.607 25852 8303 1 12 . 1 1 145 145 MET HA H 145 3.905 3.905 4.525 -0.620 25852 8304 1 12 . 1 1 145 145 MET CA C 145 53.630 53.630 57.037 -3.407 25852 8305 1 12 . 1 1 145 145 MET CB C 145 29.592 29.592 32.388 -2.796 25852 8306 1 12 . 1 1 145 145 MET H H 145 7.724 7.724 7.869 -0.145 25852 8307 1 12 . 1 1 146 146 THR N N 146 108.482 108.482 112.714 -4.232 25852 8308 1 12 . 1 1 146 146 THR HA H 146 4.170 4.170 4.397 -0.227 25852 8309 1 12 . 1 1 146 146 THR CA C 146 59.251 59.251 61.766 -2.515 25852 8310 1 12 . 1 1 146 146 THR CB C 146 67.896 67.896 69.328 -1.432 25852 8311 1 12 . 1 1 146 146 THR H H 146 7.700 7.700 7.430 0.270 25852 8312 1 12 . 1 1 147 147 ALA N N 147 126.469 126.469 125.076 1.393 25852 8313 1 12 . 1 1 147 147 ALA HA H 147 4.095 4.095 3.960 0.135 25852 8314 1 12 . 1 1 147 147 ALA CA C 147 50.307 50.307 54.157 -3.850 25852 8315 1 12 . 1 1 147 147 ALA CB C 147 16.336 16.336 18.818 -2.482 25852 8316 1 12 . 1 1 147 147 ALA H H 147 7.291 7.291 8.784 -1.493 25852 8317 1 13 . 1 1 3 3 GLN N N 3 118.120 118.120 117.595 0.525 25852 8318 1 13 . 1 1 3 3 GLN HA H 3 4.688 4.688 4.742 -0.054 25852 8319 1 13 . 1 1 3 3 GLN CA C 3 53.500 53.500 54.742 -1.242 25852 8320 1 13 . 1 1 3 3 GLN CB C 3 29.475 29.475 32.458 -2.983 25852 8321 1 13 . 1 1 3 3 GLN H H 3 8.134 8.134 7.660 0.474 25852 8322 1 13 . 1 1 4 4 LEU N N 4 121.407 121.407 120.239 1.168 25852 8323 1 13 . 1 1 4 4 LEU HA H 4 4.460 4.460 4.725 -0.265 25852 8324 1 13 . 1 1 4 4 LEU CA C 4 51.650 51.650 54.046 -2.396 25852 8325 1 13 . 1 1 4 4 LEU CB C 4 40.715 40.715 43.088 -2.373 25852 8326 1 13 . 1 1 4 4 LEU H H 4 8.202 8.202 9.109 -0.907 25852 8327 1 13 . 1 1 5 5 THR N N 5 112.733 112.733 109.503 3.230 25852 8328 1 13 . 1 1 5 5 THR HA H 5 4.265 4.265 4.532 -0.267 25852 8329 1 13 . 1 1 5 5 THR CA C 5 59.433 59.433 59.901 -0.468 25852 8330 1 13 . 1 1 5 5 THR CB C 5 67.475 67.475 71.433 -3.958 25852 8331 1 13 . 1 1 5 5 THR H H 5 8.691 8.691 7.780 0.911 25852 8332 1 13 . 1 1 6 6 GLU N N 6 119.971 119.971 120.845 -0.874 25852 8333 1 13 . 1 1 6 6 GLU HA H 6 3.854 3.854 3.923 -0.069 25852 8334 1 13 . 1 1 6 6 GLU CA C 6 56.756 56.756 59.877 -3.121 25852 8335 1 13 . 1 1 6 6 GLU CB C 6 26.508 26.508 29.123 -2.615 25852 8336 1 13 . 1 1 6 6 GLU H H 6 8.953 8.953 8.940 0.013 25852 8337 1 13 . 1 1 7 7 GLU N N 7 119.133 119.133 118.160 0.973 25852 8338 1 13 . 1 1 7 7 GLU HA H 7 3.898 3.898 3.991 -0.093 25852 8339 1 13 . 1 1 7 7 GLU CA C 7 56.756 56.756 59.191 -2.435 25852 8340 1 13 . 1 1 7 7 GLU CB C 7 26.279 26.279 28.721 -2.442 25852 8341 1 13 . 1 1 7 7 GLU H H 7 8.653 8.653 8.818 -0.165 25852 8342 1 13 . 1 1 8 8 GLN N N 8 120.207 120.207 118.030 2.177 25852 8343 1 13 . 1 1 8 8 GLN HA H 8 3.957 3.957 4.221 -0.264 25852 8344 1 13 . 1 1 8 8 GLN CA C 8 57.099 57.099 58.811 -1.712 25852 8345 1 13 . 1 1 8 8 GLN CB C 8 26.737 26.737 28.577 -1.840 25852 8346 1 13 . 1 1 8 8 GLN H H 8 7.645 7.645 8.283 -0.638 25852 8347 1 13 . 1 1 9 9 ILE N N 9 118.171 118.171 120.951 -2.780 25852 8348 1 13 . 1 1 9 9 ILE HA H 9 3.354 3.354 3.997 -0.643 25852 8349 1 13 . 1 1 9 9 ILE CA C 9 62.714 62.714 64.566 -1.852 25852 8350 1 13 . 1 1 9 9 ILE CB C 9 35.216 35.216 37.650 -2.434 25852 8351 1 13 . 1 1 9 9 ILE H H 9 8.153 8.153 8.059 0.094 25852 8352 1 13 . 1 1 10 10 ALA N N 10 120.124 120.124 120.862 -0.738 25852 8353 1 13 . 1 1 10 10 ALA HA H 10 3.966 3.966 4.145 -0.179 25852 8354 1 13 . 1 1 10 10 ALA CA C 10 52.746 52.746 54.784 -2.038 25852 8355 1 13 . 1 1 10 10 ALA CB C 10 15.165 15.165 18.996 -3.831 25852 8356 1 13 . 1 1 10 10 ALA H H 10 7.835 7.835 8.201 -0.366 25852 8357 1 13 . 1 1 11 11 GLU N N 11 119.983 119.983 114.615 5.368 25852 8358 1 13 . 1 1 11 11 GLU HA H 11 3.904 3.904 4.883 -0.979 25852 8359 1 13 . 1 1 11 11 GLU CA C 11 56.560 56.560 56.519 0.042 25852 8360 1 13 . 1 1 11 11 GLU CB C 11 27.425 27.425 31.931 -4.506 25852 8361 1 13 . 1 1 11 11 GLU H H 11 7.706 7.706 7.816 -0.110 25852 8362 1 13 . 1 1 12 12 PHE N N 12 119.907 119.907 121.299 -1.392 25852 8363 1 13 . 1 1 12 12 PHE HA H 12 4.726 4.726 4.860 -0.134 25852 8364 1 13 . 1 1 12 12 PHE CA C 12 55.839 55.839 60.574 -4.735 25852 8365 1 13 . 1 1 12 12 PHE CB C 12 33.955 33.955 39.185 -5.230 25852 8366 1 13 . 1 1 12 12 PHE H H 12 8.728 8.728 8.990 -0.262 25852 8367 1 13 . 1 1 13 13 LYS N N 13 121.208 121.208 119.511 1.697 25852 8368 1 13 . 1 1 13 13 LYS HA H 13 3.904 3.904 3.607 0.297 25852 8369 1 13 . 1 1 13 13 LYS CA C 13 57.290 57.290 58.418 -1.128 25852 8370 1 13 . 1 1 13 13 LYS CB C 13 30.174 30.174 32.211 -2.037 25852 8371 1 13 . 1 1 13 13 LYS H H 13 9.161 9.161 8.011 1.150 25852 8372 1 13 . 1 1 14 14 GLU N N 14 120.226 120.226 120.861 -0.635 25852 8373 1 13 . 1 1 14 14 GLU HA H 14 3.953 3.953 4.233 -0.280 25852 8374 1 13 . 1 1 14 14 GLU CA C 14 56.460 56.460 58.650 -2.190 25852 8375 1 13 . 1 1 14 14 GLU CB C 14 26.623 26.623 29.441 -2.818 25852 8376 1 13 . 1 1 14 14 GLU H H 14 7.980 7.980 8.032 -0.052 25852 8377 1 13 . 1 1 15 15 ALA N N 15 120.572 120.572 121.958 -1.386 25852 8378 1 13 . 1 1 15 15 ALA HA H 15 4.170 4.170 4.121 0.049 25852 8379 1 13 . 1 1 15 15 ALA CA C 15 52.750 52.750 54.810 -2.060 25852 8380 1 13 . 1 1 15 15 ALA CB C 15 16.425 16.425 18.562 -2.137 25852 8381 1 13 . 1 1 15 15 ALA H H 15 7.563 7.563 8.745 -1.182 25852 8382 1 13 . 1 1 16 16 PHE N N 16 117.784 117.784 115.748 2.036 25852 8383 1 13 . 1 1 16 16 PHE HA H 16 3.904 3.904 4.549 -0.645 25852 8384 1 13 . 1 1 16 16 PHE CA C 16 59.540 59.540 60.299 -0.759 25852 8385 1 13 . 1 1 16 16 PHE CB C 16 36.820 36.820 40.679 -3.859 25852 8386 1 13 . 1 1 16 16 PHE H H 16 8.453 8.453 7.610 0.843 25852 8387 1 13 . 1 1 17 17 SER N N 17 110.774 110.774 115.715 -4.941 25852 8388 1 13 . 1 1 17 17 SER HA H 17 4.086 4.086 4.370 -0.284 25852 8389 1 13 . 1 1 17 17 SER CA C 17 58.560 58.560 61.241 -2.681 25852 8390 1 13 . 1 1 17 17 SER CB C 17 60.651 60.651 63.615 -2.964 25852 8391 1 13 . 1 1 17 17 SER H H 17 8.351 8.351 8.027 0.324 25852 8392 1 13 . 1 1 18 18 LEU N N 18 120.947 120.947 121.271 -0.324 25852 8393 1 13 . 1 1 18 18 LEU HA H 18 3.614 3.614 4.089 -0.475 25852 8394 1 13 . 1 1 18 18 LEU CA C 18 55.839 55.839 58.078 -2.239 25852 8395 1 13 . 1 1 18 18 LEU CB C 18 39.111 39.111 42.620 -3.509 25852 8396 1 13 . 1 1 18 18 LEU H H 18 7.278 7.278 8.420 -1.142 25852 8397 1 13 . 1 1 19 19 PHE N N 19 114.458 114.458 113.438 1.020 25852 8398 1 13 . 1 1 19 19 PHE HA H 19 3.904 3.904 4.563 -0.659 25852 8399 1 13 . 1 1 19 19 PHE CA C 19 56.870 56.870 57.710 -0.840 25852 8400 1 13 . 1 1 19 19 PHE CB C 19 33.841 33.841 41.745 -7.904 25852 8401 1 13 . 1 1 19 19 PHE H H 19 7.304 7.304 7.566 -0.262 25852 8402 1 13 . 1 1 20 20 ASP N N 20 122.233 122.233 121.748 0.485 25852 8403 1 13 . 1 1 20 20 ASP HA H 20 4.874 4.874 4.602 0.272 25852 8404 1 13 . 1 1 20 20 ASP CA C 20 50.454 50.454 53.335 -2.881 25852 8405 1 13 . 1 1 20 20 ASP CB C 20 37.622 37.622 38.832 -1.210 25852 8406 1 13 . 1 1 20 20 ASP H H 20 7.233 7.233 7.993 -0.760 25852 8407 1 13 . 1 1 21 21 LYS N N 21 123.433 123.433 119.469 3.964 25852 8408 1 13 . 1 1 21 21 LYS HA H 21 3.771 3.771 4.216 -0.445 25852 8409 1 13 . 1 1 21 21 LYS CA C 21 56.025 56.025 57.476 -1.451 25852 8410 1 13 . 1 1 21 21 LYS CB C 21 29.601 29.601 32.454 -2.853 25852 8411 1 13 . 1 1 21 21 LYS H H 21 8.007 8.007 7.819 0.188 25852 8412 1 13 . 1 1 22 22 ASP N N 22 116.890 116.890 120.019 -3.129 25852 8413 1 13 . 1 1 22 22 ASP HA H 22 4.400 4.400 4.537 -0.137 25852 8414 1 13 . 1 1 22 22 ASP CA C 22 50.683 50.683 55.006 -4.323 25852 8415 1 13 . 1 1 22 22 ASP CB C 22 37.049 37.049 41.177 -4.128 25852 8416 1 13 . 1 1 22 22 ASP H H 22 8.641 8.641 8.317 0.324 25852 8417 1 13 . 1 1 23 23 GLY N N 23 110.068 110.068 106.428 3.640 25852 8418 1 13 . 1 1 23 23 GLY CA C 23 43.745 43.745 45.436 -1.691 25852 8419 1 13 . 1 1 23 23 GLY H H 23 7.938 7.938 8.329 -0.391 25852 8420 1 13 . 1 1 24 24 ASP N N 24 120.219 120.219 120.240 -0.021 25852 8421 1 13 . 1 1 24 24 ASP HA H 24 4.367 4.367 4.726 -0.359 25852 8422 1 13 . 1 1 24 24 ASP CA C 24 51.040 51.040 53.709 -2.669 25852 8423 1 13 . 1 1 24 24 ASP CB C 24 37.438 37.438 41.200 -3.762 25852 8424 1 13 . 1 1 24 24 ASP H H 24 8.723 8.723 8.199 0.524 25852 8425 1 13 . 1 1 25 25 GLY N N 25 111.889 111.889 109.016 2.873 25852 8426 1 13 . 1 1 25 25 GLY CA C 25 42.680 42.680 45.558 -2.878 25852 8427 1 13 . 1 1 25 25 GLY H H 25 10.132 10.132 8.492 1.640 25852 8428 1 13 . 1 1 26 26 THR N N 26 109.844 109.844 117.361 -7.517 25852 8429 1 13 . 1 1 26 26 THR HA H 26 5.386 5.386 4.405 0.981 25852 8430 1 13 . 1 1 26 26 THR CA C 26 56.950 56.950 59.981 -3.031 25852 8431 1 13 . 1 1 26 26 THR CB C 26 70.234 70.234 71.913 -1.679 25852 8432 1 13 . 1 1 26 26 THR H H 26 7.507 7.507 7.698 -0.191 25852 8433 1 13 . 1 1 27 27 ILE N N 27 110.289 110.289 117.341 -7.052 25852 8434 1 13 . 1 1 27 27 ILE HA H 27 3.891 3.891 4.356 -0.465 25852 8435 1 13 . 1 1 27 27 ILE CA C 27 58.360 58.360 60.779 -2.418 25852 8436 1 13 . 1 1 27 27 ILE CB C 27 35.559 35.559 38.369 -2.810 25852 8437 1 13 . 1 1 27 27 ILE H H 27 8.191 8.191 8.467 -0.276 25852 8438 1 13 . 1 1 28 28 THR N N 28 110.507 110.507 113.979 -3.472 25852 8439 1 13 . 1 1 28 28 THR HA H 28 4.895 4.895 4.279 0.616 25852 8440 1 13 . 1 1 28 28 THR CA C 28 57.787 57.787 62.130 -4.343 25852 8441 1 13 . 1 1 28 28 THR CB C 28 68.099 68.099 69.865 -1.766 25852 8442 1 13 . 1 1 28 28 THR H H 28 8.265 8.265 8.368 -0.103 25852 8443 1 13 . 1 1 29 29 THR N N 29 112.331 112.331 113.739 -1.408 25852 8444 1 13 . 1 1 29 29 THR HA H 29 3.941 3.941 4.122 -0.181 25852 8445 1 13 . 1 1 29 29 THR CA C 29 63.840 63.840 65.181 -1.341 25852 8446 1 13 . 1 1 29 29 THR CB C 29 65.807 65.807 69.004 -3.197 25852 8447 1 13 . 1 1 29 29 THR H H 29 8.225 8.225 8.586 -0.361 25852 8448 1 13 . 1 1 30 30 LYS N N 30 118.985 118.985 120.114 -1.129 25852 8449 1 13 . 1 1 30 30 LYS HA H 30 3.965 3.965 4.021 -0.056 25852 8450 1 13 . 1 1 30 30 LYS CA C 30 55.839 55.839 58.558 -2.719 25852 8451 1 13 . 1 1 30 30 LYS CB C 30 29.372 29.372 32.170 -2.798 25852 8452 1 13 . 1 1 30 30 LYS H H 30 7.559 7.559 8.539 -0.980 25852 8453 1 13 . 1 1 31 31 GLU N N 31 117.233 117.233 114.476 2.757 25852 8454 1 13 . 1 1 31 31 GLU HA H 31 3.965 3.965 4.094 -0.129 25852 8455 1 13 . 1 1 31 31 GLU CA C 31 57.140 57.140 56.103 1.037 25852 8456 1 13 . 1 1 31 31 GLU CB C 31 26.393 26.393 29.700 -3.307 25852 8457 1 13 . 1 1 31 31 GLU H H 31 7.431 7.431 7.890 -0.459 25852 8458 1 13 . 1 1 32 32 LEU N N 32 120.701 120.701 122.620 -1.919 25852 8459 1 13 . 1 1 32 32 LEU HA H 32 3.880 3.880 3.785 0.095 25852 8460 1 13 . 1 1 32 32 LEU CA C 32 55.520 55.520 58.066 -2.546 25852 8461 1 13 . 1 1 32 32 LEU CB C 32 39.226 39.226 41.657 -2.432 25852 8462 1 13 . 1 1 32 32 LEU H H 32 7.270 7.270 7.616 -0.346 25852 8463 1 13 . 1 1 33 33 GLY N N 33 105.217 105.217 104.296 0.921 25852 8464 1 13 . 1 1 33 33 GLY CA C 33 45.642 45.642 47.680 -2.038 25852 8465 1 13 . 1 1 33 33 GLY H H 33 8.737 8.737 8.314 0.423 25852 8466 1 13 . 1 1 34 34 THR N N 34 118.196 118.196 118.376 -0.180 25852 8467 1 13 . 1 1 34 34 THR HA H 34 3.916 3.916 4.049 -0.133 25852 8468 1 13 . 1 1 34 34 THR CA C 34 63.859 63.859 66.422 -2.563 25852 8469 1 13 . 1 1 34 34 THR CB C 34 65.807 65.807 68.344 -2.537 25852 8470 1 13 . 1 1 34 34 THR H H 34 7.446 7.446 7.391 0.055 25852 8471 1 13 . 1 1 35 35 VAL N N 35 122.546 122.546 121.063 1.483 25852 8472 1 13 . 1 1 35 35 VAL HA H 35 3.373 3.373 3.941 -0.568 25852 8473 1 13 . 1 1 35 35 VAL CA C 35 64.088 64.088 64.437 -0.349 25852 8474 1 13 . 1 1 35 35 VAL CB C 35 28.799 28.799 30.215 -1.416 25852 8475 1 13 . 1 1 35 35 VAL H H 35 7.889 7.889 7.447 0.442 25852 8476 1 13 . 1 1 36 36 MET N N 36 118.307 118.307 118.074 0.233 25852 8477 1 13 . 1 1 36 36 MET HA H 36 3.880 3.880 4.065 -0.185 25852 8478 1 13 . 1 1 36 36 MET CA C 36 56.870 56.870 59.319 -2.449 25852 8479 1 13 . 1 1 36 36 MET CB C 36 26.279 26.279 32.710 -6.431 25852 8480 1 13 . 1 1 36 36 MET H H 36 8.386 8.386 7.984 0.402 25852 8481 1 13 . 1 1 37 37 ARG N N 37 119.233 119.233 119.068 0.165 25852 8482 1 13 . 1 1 37 37 ARG HA H 37 3.904 3.904 4.500 -0.596 25852 8483 1 13 . 1 1 37 37 ARG CA C 37 56.170 56.170 58.783 -2.613 25852 8484 1 13 . 1 1 37 37 ARG CB C 37 27.310 27.310 30.329 -3.019 25852 8485 1 13 . 1 1 37 37 ARG H H 37 8.451 8.451 8.282 0.169 25852 8486 1 13 . 1 1 38 38 SER N N 38 118.720 118.720 117.026 1.694 25852 8487 1 13 . 1 1 38 38 SER HA H 38 4.176 4.176 4.301 -0.125 25852 8488 1 13 . 1 1 38 38 SER CA C 38 59.250 59.250 61.263 -2.013 25852 8489 1 13 . 1 1 38 38 SER CB C 38 67.411 67.411 62.999 4.412 25852 8490 1 13 . 1 1 38 38 SER H H 38 8.040 8.040 8.260 -0.220 25852 8491 1 13 . 1 1 39 39 LEU N N 39 120.896 120.896 119.424 1.472 25852 8492 1 13 . 1 1 39 39 LEU HA H 39 4.460 4.460 4.471 -0.011 25852 8493 1 13 . 1 1 39 39 LEU CA C 39 51.330 51.330 54.909 -3.579 25852 8494 1 13 . 1 1 39 39 LEU CB C 39 40.257 40.257 42.257 -2.000 25852 8495 1 13 . 1 1 39 39 LEU H H 39 7.263 7.263 7.361 -0.098 25852 8496 1 13 . 1 1 40 40 GLY N N 40 106.917 106.917 106.919 -0.002 25852 8497 1 13 . 1 1 40 40 GLY CA C 40 42.880 42.880 44.655 -1.775 25852 8498 1 13 . 1 1 40 40 GLY H H 40 7.841 7.841 7.924 -0.083 25852 8499 1 13 . 1 1 41 41 GLN N N 41 117.171 117.171 119.908 -2.737 25852 8500 1 13 . 1 1 41 41 GLN HA H 41 4.243 4.243 4.317 -0.074 25852 8501 1 13 . 1 1 41 41 GLN CA C 41 52.631 52.631 55.305 -2.674 25852 8502 1 13 . 1 1 41 41 GLN CB C 41 30.747 30.747 29.834 0.913 25852 8503 1 13 . 1 1 41 41 GLN H H 41 7.687 7.687 7.623 0.064 25852 8504 1 13 . 1 1 42 42 ASN N N 42 116.423 116.423 121.557 -5.134 25852 8505 1 13 . 1 1 42 42 ASN HA H 42 5.016 5.016 5.039 -0.023 25852 8506 1 13 . 1 1 42 42 ASN CA C 42 48.640 48.640 50.519 -1.879 25852 8507 1 13 . 1 1 42 42 ASN CB C 42 36.591 36.591 39.071 -2.480 25852 8508 1 13 . 1 1 42 42 ASN H H 42 8.601 8.601 8.800 -0.199 25852 8509 1 13 . 1 1 44 44 THR N N 44 113.033 113.033 114.115 -1.082 25852 8510 1 13 . 1 1 44 44 THR HA H 44 4.279 4.279 4.554 -0.275 25852 8511 1 13 . 1 1 44 44 THR CA C 44 57.640 57.640 61.366 -3.726 25852 8512 1 13 . 1 1 44 44 THR CB C 44 68.328 68.328 71.172 -2.844 25852 8513 1 13 . 1 1 44 44 THR H H 44 8.711 8.711 8.346 0.365 25852 8514 1 13 . 1 1 45 45 GLU N N 45 120.233 120.233 121.985 -1.752 25852 8515 1 13 . 1 1 45 45 GLU HA H 45 3.892 3.892 4.194 -0.302 25852 8516 1 13 . 1 1 45 45 GLU CA C 45 56.756 56.756 58.652 -1.896 25852 8517 1 13 . 1 1 45 45 GLU CB C 45 26.393 26.393 29.494 -3.100 25852 8518 1 13 . 1 1 45 45 GLU H H 45 8.781 8.781 8.911 -0.130 25852 8519 1 13 . 1 1 46 46 ALA N N 46 120.833 120.833 122.456 -1.623 25852 8520 1 13 . 1 1 46 46 ALA HA H 46 3.868 3.868 4.411 -0.543 25852 8521 1 13 . 1 1 46 46 ALA CA C 46 52.310 52.310 54.734 -2.424 25852 8522 1 13 . 1 1 46 46 ALA CB C 46 15.394 15.394 18.504 -3.110 25852 8523 1 13 . 1 1 46 46 ALA H H 46 8.251 8.251 8.143 0.108 25852 8524 1 13 . 1 1 47 47 GLU N N 47 118.672 118.672 118.819 -0.147 25852 8525 1 13 . 1 1 47 47 GLU HA H 47 3.965 3.965 4.170 -0.205 25852 8526 1 13 . 1 1 47 47 GLU CA C 47 56.641 56.641 58.658 -2.017 25852 8527 1 13 . 1 1 47 47 GLU CB C 47 26.623 26.623 29.302 -2.679 25852 8528 1 13 . 1 1 47 47 GLU H H 47 7.668 7.668 8.581 -0.913 25852 8529 1 13 . 1 1 48 48 LEU N N 48 119.645 119.645 119.618 0.027 25852 8530 1 13 . 1 1 48 48 LEU HA H 48 3.892 3.892 4.140 -0.248 25852 8531 1 13 . 1 1 48 48 LEU CA C 48 55.610 55.610 57.898 -2.288 25852 8532 1 13 . 1 1 48 48 LEU CB C 48 39.340 39.340 41.507 -2.167 25852 8533 1 13 . 1 1 48 48 LEU H H 48 8.244 8.244 7.717 0.527 25852 8534 1 13 . 1 1 49 49 GLN N N 49 117.446 117.446 117.301 0.145 25852 8535 1 13 . 1 1 49 49 GLN HA H 49 3.892 3.892 4.190 -0.298 25852 8536 1 13 . 1 1 49 49 GLN CA C 49 56.756 56.756 58.098 -1.342 25852 8537 1 13 . 1 1 49 49 GLN CB C 49 26.508 26.508 28.645 -2.137 25852 8538 1 13 . 1 1 49 49 GLN H H 49 7.980 7.980 7.723 0.257 25852 8539 1 13 . 1 1 50 50 ASP N N 50 118.733 118.733 121.941 -3.208 25852 8540 1 13 . 1 1 50 50 ASP HA H 50 4.267 4.267 4.495 -0.228 25852 8541 1 13 . 1 1 50 50 ASP CA C 50 54.700 54.700 57.068 -2.368 25852 8542 1 13 . 1 1 50 50 ASP CB C 50 37.622 37.622 40.922 -3.300 25852 8543 1 13 . 1 1 50 50 ASP H H 50 7.761 7.761 7.773 -0.012 25852 8544 1 13 . 1 1 51 51 MET N N 51 118.996 118.996 118.321 0.675 25852 8545 1 13 . 1 1 51 51 MET HA H 51 3.892 3.892 4.331 -0.439 25852 8546 1 13 . 1 1 51 51 MET CA C 51 56.560 56.560 59.240 -2.680 25852 8547 1 13 . 1 1 51 51 MET CB C 51 29.601 29.601 33.233 -3.632 25852 8548 1 13 . 1 1 51 51 MET H H 51 7.900 7.900 8.043 -0.143 25852 8549 1 13 . 1 1 52 52 ILE N N 52 118.833 118.833 118.639 0.194 25852 8550 1 13 . 1 1 52 52 ILE HA H 52 3.348 3.348 3.833 -0.485 25852 8551 1 13 . 1 1 52 52 ILE CA C 52 62.484 62.484 62.331 0.153 25852 8552 1 13 . 1 1 52 52 ILE CB C 52 35.330 35.330 36.883 -1.553 25852 8553 1 13 . 1 1 52 52 ILE H H 52 8.261 8.261 7.747 0.514 25852 8554 1 13 . 1 1 53 53 ASN N N 53 117.296 117.296 116.094 1.202 25852 8555 1 13 . 1 1 53 53 ASN HA H 53 4.243 4.243 4.526 -0.283 25852 8556 1 13 . 1 1 53 53 ASN CA C 53 53.090 53.090 55.813 -2.723 25852 8557 1 13 . 1 1 53 53 ASN CB C 53 35.330 35.330 39.213 -3.883 25852 8558 1 13 . 1 1 53 53 ASN H H 53 8.186 8.186 7.849 0.337 25852 8559 1 13 . 1 1 54 54 GLU N N 54 117.133 117.133 118.464 -1.331 25852 8560 1 13 . 1 1 54 54 GLU HA H 54 3.965 3.965 4.222 -0.257 25852 8561 1 13 . 1 1 54 54 GLU CA C 54 56.412 56.412 58.334 -1.921 25852 8562 1 13 . 1 1 54 54 GLU CB C 54 26.508 26.508 30.471 -3.963 25852 8563 1 13 . 1 1 54 54 GLU H H 54 7.501 7.501 7.732 -0.231 25852 8564 1 13 . 1 1 55 55 VAL N N 55 112.928 112.928 118.377 -5.449 25852 8565 1 13 . 1 1 55 55 VAL HA H 55 4.194 4.194 4.016 0.178 25852 8566 1 13 . 1 1 55 55 VAL CA C 55 59.505 59.505 64.028 -4.523 25852 8567 1 13 . 1 1 55 55 VAL CB C 55 30.174 30.174 32.264 -2.091 25852 8568 1 13 . 1 1 55 55 VAL H H 55 7.575 7.575 8.208 -0.633 25852 8569 1 13 . 1 1 56 56 ASP N N 56 121.771 121.771 120.476 1.295 25852 8570 1 13 . 1 1 56 56 ASP HA H 56 4.388 4.388 4.492 -0.104 25852 8571 1 13 . 1 1 56 56 ASP CA C 56 50.990 50.990 54.062 -3.072 25852 8572 1 13 . 1 1 56 56 ASP CB C 56 36.820 36.820 39.412 -2.592 25852 8573 1 13 . 1 1 56 56 ASP H H 56 8.401 8.401 7.841 0.560 25852 8574 1 13 . 1 1 57 57 ALA N N 57 124.771 124.771 120.953 3.818 25852 8575 1 13 . 1 1 57 57 ALA HA H 57 4.001 4.001 4.259 -0.258 25852 8576 1 13 . 1 1 57 57 ALA CA C 57 52.402 52.402 53.456 -1.054 25852 8577 1 13 . 1 1 57 57 ALA CB C 57 15.280 15.280 19.015 -3.735 25852 8578 1 13 . 1 1 57 57 ALA H H 57 8.097 8.097 8.104 -0.007 25852 8579 1 13 . 1 1 58 58 ASP N N 58 114.518 114.518 119.795 -5.277 25852 8580 1 13 . 1 1 58 58 ASP HA H 58 4.400 4.400 4.511 -0.111 25852 8581 1 13 . 1 1 58 58 ASP CA C 58 50.798 50.798 54.682 -3.884 25852 8582 1 13 . 1 1 58 58 ASP CB C 58 36.934 36.934 41.269 -4.335 25852 8583 1 13 . 1 1 58 58 ASP H H 58 8.376 8.376 7.929 0.447 25852 8584 1 13 . 1 1 59 59 GLY N N 59 108.798 108.798 107.335 1.463 25852 8585 1 13 . 1 1 59 59 GLY CA C 59 44.490 44.490 45.281 -0.791 25852 8586 1 13 . 1 1 59 59 GLY H H 59 7.827 7.827 8.281 -0.454 25852 8587 1 13 . 1 1 60 60 ASN N N 60 119.696 119.696 118.089 1.607 25852 8588 1 13 . 1 1 60 60 ASN HA H 60 4.688 4.688 4.858 -0.170 25852 8589 1 13 . 1 1 60 60 ASN CA C 60 51.943 51.943 52.963 -1.020 25852 8590 1 13 . 1 1 60 60 ASN CB C 60 38.424 38.424 39.256 -0.832 25852 8591 1 13 . 1 1 60 60 ASN H H 60 9.253 9.253 8.513 0.740 25852 8592 1 13 . 1 1 61 61 GLY N N 61 110.108 110.108 110.199 -0.091 25852 8593 1 13 . 1 1 61 61 GLY CA C 61 42.870 42.870 45.545 -2.675 25852 8594 1 13 . 1 1 61 61 GLY H H 61 10.004 10.004 8.421 1.583 25852 8595 1 13 . 1 1 62 62 THR N N 62 110.533 110.533 112.833 -2.300 25852 8596 1 13 . 1 1 62 62 THR HA H 62 4.629 4.629 4.662 -0.033 25852 8597 1 13 . 1 1 62 62 THR CA C 62 59.162 59.162 61.043 -1.881 25852 8598 1 13 . 1 1 62 62 THR CB C 62 67.526 67.526 72.110 -4.584 25852 8599 1 13 . 1 1 62 62 THR H H 62 7.481 7.481 7.430 0.051 25852 8600 1 13 . 1 1 63 63 ILE N N 63 118.533 118.533 122.775 -4.242 25852 8601 1 13 . 1 1 63 63 ILE HA H 63 3.783 3.783 4.444 -0.661 25852 8602 1 13 . 1 1 63 63 ILE CA C 63 60.537 60.537 58.897 1.640 25852 8603 1 13 . 1 1 63 63 ILE CB C 63 36.018 36.018 38.754 -2.736 25852 8604 1 13 . 1 1 63 63 ILE H H 63 8.820 8.820 8.674 0.146 25852 8605 1 13 . 1 1 64 64 ASP N N 64 122.928 122.928 126.685 -3.757 25852 8606 1 13 . 1 1 64 64 ASP HA H 64 4.327 4.327 4.623 -0.296 25852 8607 1 13 . 1 1 64 64 ASP CA C 64 51.027 51.027 56.488 -5.461 25852 8608 1 13 . 1 1 64 64 ASP CB C 64 37.278 37.278 41.715 -4.437 25852 8609 1 13 . 1 1 64 64 ASP H H 64 8.380 8.380 8.546 -0.166 25852 8610 1 13 . 1 1 65 65 PHE N N 65 118.559 118.559 117.994 0.565 25852 8611 1 13 . 1 1 65 65 PHE HA H 65 3.880 3.880 3.894 -0.014 25852 8612 1 13 . 1 1 65 65 PHE CA C 65 56.870 56.870 60.787 -3.917 25852 8613 1 13 . 1 1 65 65 PHE CB C 65 33.497 33.497 36.217 -2.720 25852 8614 1 13 . 1 1 65 65 PHE H H 65 8.559 8.559 8.799 -0.240 25852 8615 1 13 . 1 1 67 67 GLU N N 67 117.546 117.546 115.334 2.212 25852 8616 1 13 . 1 1 67 67 GLU HA H 67 3.904 3.904 4.208 -0.304 25852 8617 1 13 . 1 1 67 67 GLU CA C 67 56.870 56.870 57.692 -0.822 25852 8618 1 13 . 1 1 67 67 GLU CB C 67 26.623 26.623 29.934 -3.311 25852 8619 1 13 . 1 1 67 67 GLU H H 67 7.995 7.995 8.293 -0.298 25852 8620 1 13 . 1 1 68 68 PHE N N 68 122.032 122.032 117.470 4.562 25852 8621 1 13 . 1 1 68 68 PHE HA H 68 3.904 3.904 4.508 -0.604 25852 8622 1 13 . 1 1 68 68 PHE CA C 68 59.047 59.047 58.328 0.719 25852 8623 1 13 . 1 1 68 68 PHE CB C 68 36.934 36.934 38.224 -1.290 25852 8624 1 13 . 1 1 68 68 PHE H H 68 8.377 8.377 7.171 1.206 25852 8625 1 13 . 1 1 69 69 LEU N N 69 118.488 118.488 121.106 -2.618 25852 8626 1 13 . 1 1 69 69 LEU HA H 69 3.179 3.179 4.247 -1.068 25852 8627 1 13 . 1 1 69 69 LEU CA C 69 55.158 55.158 57.861 -2.703 25852 8628 1 13 . 1 1 69 69 LEU CB C 69 38.195 38.195 41.344 -3.149 25852 8629 1 13 . 1 1 69 69 LEU H H 69 8.393 8.393 7.366 1.027 25852 8630 1 13 . 1 1 70 70 THR N N 70 115.208 115.208 115.308 -0.100 25852 8631 1 13 . 1 1 70 70 THR HA H 70 3.638 3.638 3.889 -0.251 25852 8632 1 13 . 1 1 70 70 THR CA C 70 63.630 63.630 66.953 -3.323 25852 8633 1 13 . 1 1 70 70 THR CB C 70 65.578 65.578 68.347 -2.769 25852 8634 1 13 . 1 1 70 70 THR H H 70 7.658 7.658 8.129 -0.471 25852 8635 1 13 . 1 1 71 71 MET N N 71 121.221 121.221 118.660 2.561 25852 8636 1 13 . 1 1 71 71 MET HA H 71 3.892 3.892 4.432 -0.540 25852 8637 1 13 . 1 1 71 71 MET CA C 71 56.303 56.303 58.515 -2.212 25852 8638 1 13 . 1 1 71 71 MET CB C 71 29.831 29.831 32.289 -2.458 25852 8639 1 13 . 1 1 71 71 MET H H 71 7.653 7.653 7.478 0.175 25852 8640 1 13 . 1 1 72 72 MET N N 72 117.459 117.459 117.548 -0.089 25852 8641 1 13 . 1 1 72 72 MET HA H 72 3.892 3.892 4.442 -0.550 25852 8642 1 13 . 1 1 72 72 MET CA C 72 53.777 53.777 57.300 -3.523 25852 8643 1 13 . 1 1 72 72 MET CB C 72 29.029 29.029 32.954 -3.925 25852 8644 1 13 . 1 1 72 72 MET H H 72 7.956 7.956 7.481 0.475 25852 8645 1 13 . 1 1 73 73 ALA N N 73 120.856 120.856 121.587 -0.731 25852 8646 1 13 . 1 1 73 73 ALA HA H 73 3.868 3.868 4.267 -0.399 25852 8647 1 13 . 1 1 73 73 ALA CA C 73 52.402 52.402 54.424 -2.022 25852 8648 1 13 . 1 1 73 73 ALA CB C 73 15.280 15.280 19.286 -4.006 25852 8649 1 13 . 1 1 73 73 ALA H H 73 8.230 8.230 8.346 -0.116 25852 8650 1 13 . 1 1 74 74 ARG N N 74 116.530 116.530 115.733 0.797 25852 8651 1 13 . 1 1 74 74 ARG HA H 74 3.892 3.892 4.432 -0.540 25852 8652 1 13 . 1 1 74 74 ARG CA C 74 56.297 56.297 58.161 -1.864 25852 8653 1 13 . 1 1 74 74 ARG CB C 74 27.997 27.997 29.870 -1.873 25852 8654 1 13 . 1 1 74 74 ARG H H 74 7.409 7.409 7.813 -0.404 25852 8655 1 13 . 1 1 75 75 LYS N N 75 118.008 118.008 120.001 -1.993 25852 8656 1 13 . 1 1 75 75 LYS HA H 75 3.965 3.965 4.221 -0.256 25852 8657 1 13 . 1 1 75 75 LYS CA C 75 55.495 55.495 58.065 -2.570 25852 8658 1 13 . 1 1 75 75 LYS CB C 75 26.279 26.279 31.848 -5.569 25852 8659 1 13 . 1 1 75 75 LYS H H 75 7.657 7.657 7.745 -0.088 25852 8660 1 13 . 1 1 76 76 MET N N 76 117.646 117.646 112.092 5.554 25852 8661 1 13 . 1 1 76 76 MET HA H 76 4.146 4.146 4.738 -0.592 25852 8662 1 13 . 1 1 76 76 MET CA C 76 53.947 53.947 57.073 -3.126 25852 8663 1 13 . 1 1 76 76 MET CB C 76 29.487 29.487 34.816 -5.329 25852 8664 1 13 . 1 1 76 76 MET H H 76 7.883 7.883 7.442 0.441 25852 8665 1 13 . 1 1 77 77 LYS N N 77 120.334 120.334 118.501 1.833 25852 8666 1 13 . 1 1 77 77 LYS HA H 77 3.941 3.941 4.220 -0.279 25852 8667 1 13 . 1 1 77 77 LYS CA C 77 56.526 56.526 58.337 -1.811 25852 8668 1 13 . 1 1 77 77 LYS CB C 77 27.425 27.425 32.932 -5.508 25852 8669 1 13 . 1 1 77 77 LYS H H 77 7.658 7.658 7.925 -0.267 25852 8670 1 13 . 1 1 78 78 ASP N N 78 121.733 121.733 117.387 4.346 25852 8671 1 13 . 1 1 78 78 ASP HA H 78 4.194 4.194 4.751 -0.557 25852 8672 1 13 . 1 1 78 78 ASP CA C 78 52.516 52.516 55.923 -3.408 25852 8673 1 13 . 1 1 78 78 ASP CB C 78 40.028 40.028 41.424 -1.396 25852 8674 1 13 . 1 1 78 78 ASP H H 78 8.212 8.212 7.682 0.530 25852 8675 1 13 . 1 1 79 79 THR N N 79 114.651 114.651 114.733 -0.082 25852 8676 1 13 . 1 1 79 79 THR HA H 79 4.170 4.170 4.204 -0.034 25852 8677 1 13 . 1 1 79 79 THR CA C 79 59.391 59.391 63.277 -3.886 25852 8678 1 13 . 1 1 79 79 THR CB C 79 67.067 67.067 68.556 -1.489 25852 8679 1 13 . 1 1 79 79 THR H H 79 8.048 8.048 8.209 -0.161 25852 8680 1 13 . 1 1 80 80 ASP N N 80 122.484 122.484 118.939 3.545 25852 8681 1 13 . 1 1 80 80 ASP HA H 80 4.363 4.363 4.392 -0.029 25852 8682 1 13 . 1 1 80 80 ASP CA C 80 50.850 50.850 55.554 -4.704 25852 8683 1 13 . 1 1 80 80 ASP CB C 80 36.705 36.705 41.588 -4.883 25852 8684 1 13 . 1 1 80 80 ASP H H 80 8.432 8.432 7.973 0.459 25852 8685 1 13 . 1 1 81 81 SER N N 81 117.135 117.135 116.773 0.362 25852 8686 1 13 . 1 1 81 81 SER HA H 81 4.267 4.267 4.344 -0.077 25852 8687 1 13 . 1 1 81 81 SER CA C 81 56.870 56.870 60.454 -3.584 25852 8688 1 13 . 1 1 81 81 SER CB C 81 60.884 60.884 63.502 -2.618 25852 8689 1 13 . 1 1 81 81 SER H H 81 8.403 8.403 8.752 -0.349 25852 8690 1 13 . 1 1 82 82 GLU N N 82 121.723 121.723 121.348 0.375 25852 8691 1 13 . 1 1 82 82 GLU HA H 82 3.883 3.883 4.195 -0.312 25852 8692 1 13 . 1 1 82 82 GLU CA C 82 56.707 56.707 58.695 -1.988 25852 8693 1 13 . 1 1 82 82 GLU CB C 82 29.831 29.831 29.508 0.323 25852 8694 1 13 . 1 1 82 82 GLU H H 82 8.443 8.443 8.197 0.246 25852 8695 1 13 . 1 1 83 83 GLU N N 83 119.259 119.259 118.665 0.594 25852 8696 1 13 . 1 1 83 83 GLU HA H 83 3.883 3.883 4.135 -0.252 25852 8697 1 13 . 1 1 83 83 GLU CA C 83 56.606 56.606 58.234 -1.628 25852 8698 1 13 . 1 1 83 83 GLU CB C 83 29.364 29.364 28.888 0.476 25852 8699 1 13 . 1 1 83 83 GLU H H 83 8.118 8.118 8.587 -0.469 25852 8700 1 13 . 1 1 84 84 GLU N N 84 118.060 118.060 119.145 -1.085 25852 8701 1 13 . 1 1 84 84 GLU HA H 84 3.871 3.871 4.583 -0.712 25852 8702 1 13 . 1 1 84 84 GLU CA C 84 56.606 56.606 58.241 -1.635 25852 8703 1 13 . 1 1 84 84 GLU CB C 84 25.817 25.817 29.655 -3.838 25852 8704 1 13 . 1 1 84 84 GLU H H 84 8.212 8.212 7.811 0.401 25852 8705 1 13 . 1 1 85 85 ILE N N 85 120.736 120.736 116.875 3.861 25852 8706 1 13 . 1 1 85 85 ILE HA H 85 3.678 3.678 4.132 -0.454 25852 8707 1 13 . 1 1 85 85 ILE CA C 85 62.484 62.484 64.251 -1.767 25852 8708 1 13 . 1 1 85 85 ILE CB C 85 35.445 35.445 38.695 -3.250 25852 8709 1 13 . 1 1 85 85 ILE H H 85 7.964 7.964 7.319 0.645 25852 8710 1 13 . 1 1 86 86 ARG N N 86 121.452 121.452 120.676 0.776 25852 8711 1 13 . 1 1 86 86 ARG HA H 86 3.989 3.989 4.081 -0.092 25852 8712 1 13 . 1 1 86 86 ARG CA C 86 56.985 56.985 58.910 -1.925 25852 8713 1 13 . 1 1 86 86 ARG CB C 86 26.856 26.856 29.150 -2.294 25852 8714 1 13 . 1 1 86 86 ARG H H 86 8.351 8.351 8.166 0.185 25852 8715 1 13 . 1 1 87 87 GLU N N 87 118.288 118.288 118.746 -0.458 25852 8716 1 13 . 1 1 87 87 GLU HA H 87 3.861 3.861 4.302 -0.441 25852 8717 1 13 . 1 1 87 87 GLU CA C 87 56.606 56.606 58.023 -1.417 25852 8718 1 13 . 1 1 87 87 GLU CB C 87 25.817 25.817 29.580 -3.763 25852 8719 1 13 . 1 1 87 87 GLU H H 87 8.238 8.238 8.186 0.052 25852 8720 1 13 . 1 1 88 88 ALA N N 88 120.408 120.408 122.104 -1.696 25852 8721 1 13 . 1 1 88 88 ALA HA H 88 4.013 4.013 4.311 -0.298 25852 8722 1 13 . 1 1 88 88 ALA CA C 88 52.263 52.263 54.637 -2.374 25852 8723 1 13 . 1 1 88 88 ALA CB C 88 15.080 15.080 18.410 -3.330 25852 8724 1 13 . 1 1 88 88 ALA H H 88 7.960 7.960 8.068 -0.108 25852 8725 1 13 . 1 1 89 89 PHE N N 89 118.123 118.123 117.421 0.702 25852 8726 1 13 . 1 1 89 89 PHE HA H 89 3.058 3.058 4.289 -1.231 25852 8727 1 13 . 1 1 89 89 PHE CA C 89 59.703 59.703 59.835 -0.132 25852 8728 1 13 . 1 1 89 89 PHE CB C 89 36.774 36.774 38.755 -1.980 25852 8729 1 13 . 1 1 89 89 PHE H H 89 8.498 8.498 7.607 0.891 25852 8730 1 13 . 1 1 90 90 ARG N N 90 116.002 116.002 118.538 -2.536 25852 8731 1 13 . 1 1 90 90 ARG HA H 90 3.892 3.892 4.230 -0.338 25852 8732 1 13 . 1 1 90 90 ARG CA C 90 56.168 56.168 57.483 -1.315 25852 8733 1 13 . 1 1 90 90 ARG CB C 90 27.654 27.654 29.963 -2.309 25852 8734 1 13 . 1 1 90 90 ARG H H 90 7.860 7.860 7.781 0.079 25852 8735 1 13 . 1 1 91 91 VAL N N 91 118.008 118.008 117.956 0.052 25852 8736 1 13 . 1 1 91 91 VAL HA H 91 3.243 3.243 3.896 -0.653 25852 8737 1 13 . 1 1 91 91 VAL CA C 91 63.357 63.357 65.603 -2.246 25852 8738 1 13 . 1 1 91 91 VAL CB C 91 28.444 28.444 32.431 -3.987 25852 8739 1 13 . 1 1 91 91 VAL H H 91 7.300 7.300 7.563 -0.263 25852 8740 1 13 . 1 1 92 92 PHE N N 92 113.024 113.024 115.134 -2.110 25852 8741 1 13 . 1 1 92 92 PHE HA H 92 3.967 3.967 4.377 -0.410 25852 8742 1 13 . 1 1 92 92 PHE CA C 92 57.558 57.558 59.618 -2.060 25852 8743 1 13 . 1 1 92 92 PHE CB C 92 38.838 38.838 40.728 -1.890 25852 8744 1 13 . 1 1 92 92 PHE H H 92 6.805 6.805 7.951 -1.146 25852 8745 1 13 . 1 1 93 93 ASP N N 93 116.393 116.393 119.811 -3.418 25852 8746 1 13 . 1 1 93 93 ASP HA H 93 4.496 4.496 4.257 0.239 25852 8747 1 13 . 1 1 93 93 ASP CA C 93 49.525 49.525 55.046 -5.521 25852 8748 1 13 . 1 1 93 93 ASP CB C 93 35.788 35.788 40.170 -4.382 25852 8749 1 13 . 1 1 93 93 ASP H H 93 8.018 8.018 7.876 0.142 25852 8750 1 13 . 1 1 94 94 LYS N N 94 125.158 125.158 123.740 1.418 25852 8751 1 13 . 1 1 94 94 LYS HA H 94 3.892 3.892 4.150 -0.258 25852 8752 1 13 . 1 1 94 94 LYS CA C 94 56.183 56.183 58.205 -2.022 25852 8753 1 13 . 1 1 94 94 LYS CB C 94 29.945 29.945 32.898 -2.954 25852 8754 1 13 . 1 1 94 94 LYS H H 94 7.721 7.721 7.877 -0.156 25852 8755 1 13 . 1 1 95 95 ASP N N 95 113.893 113.893 118.670 -4.777 25852 8756 1 13 . 1 1 95 95 ASP HA H 95 4.415 4.415 4.471 -0.056 25852 8757 1 13 . 1 1 95 95 ASP CA C 95 50.683 50.683 54.884 -4.201 25852 8758 1 13 . 1 1 95 95 ASP CB C 95 36.774 36.774 40.442 -3.668 25852 8759 1 13 . 1 1 95 95 ASP H H 95 8.156 8.156 8.285 -0.129 25852 8760 1 13 . 1 1 96 96 GLY N N 96 108.799 108.799 107.263 1.536 25852 8761 1 13 . 1 1 96 96 GLY CA C 96 44.344 44.344 46.116 -1.772 25852 8762 1 13 . 1 1 96 96 GLY H H 96 7.717 7.717 8.335 -0.618 25852 8763 1 13 . 1 1 97 97 ASN N N 97 119.381 119.381 118.411 0.970 25852 8764 1 13 . 1 1 97 97 ASN HA H 97 4.500 4.500 4.789 -0.289 25852 8765 1 13 . 1 1 97 97 ASN CA C 97 49.916 49.916 52.988 -3.072 25852 8766 1 13 . 1 1 97 97 ASN CB C 97 35.183 35.183 39.343 -4.160 25852 8767 1 13 . 1 1 97 97 ASN H H 97 8.312 8.312 8.218 0.094 25852 8768 1 13 . 1 1 98 98 GLY N N 98 112.330 112.330 106.909 5.421 25852 8769 1 13 . 1 1 98 98 GLY CA C 98 42.434 42.434 45.398 -2.964 25852 8770 1 13 . 1 1 98 98 GLY H H 98 10.555 10.555 7.971 2.584 25852 8771 1 13 . 1 1 99 99 TYR N N 99 116.075 116.075 119.278 -3.203 25852 8772 1 13 . 1 1 99 99 TYR HA H 99 4.871 4.871 5.086 -0.215 25852 8773 1 13 . 1 1 99 99 TYR CA C 99 53.582 53.582 55.786 -2.204 25852 8774 1 13 . 1 1 99 99 TYR CB C 99 39.981 39.981 39.492 0.488 25852 8775 1 13 . 1 1 99 99 TYR H H 99 7.650 7.650 7.736 -0.086 25852 8776 1 13 . 1 1 100 100 ILE N N 100 126.834 126.834 125.781 1.053 25852 8777 1 13 . 1 1 100 100 ILE HA H 100 4.493 4.493 3.990 0.503 25852 8778 1 13 . 1 1 100 100 ILE CA C 100 58.616 58.616 61.366 -2.750 25852 8779 1 13 . 1 1 100 100 ILE CB C 100 35.903 35.903 36.730 -0.827 25852 8780 1 13 . 1 1 100 100 ILE H H 100 10.037 10.037 8.694 1.343 25852 8781 1 13 . 1 1 101 101 SER N N 101 123.486 123.486 122.671 0.815 25852 8782 1 13 . 1 1 101 101 SER HA H 101 4.738 4.738 4.360 0.378 25852 8783 1 13 . 1 1 101 101 SER CA C 101 52.897 52.897 58.189 -5.292 25852 8784 1 13 . 1 1 101 101 SER CB C 101 64.134 64.134 65.031 -0.897 25852 8785 1 13 . 1 1 101 101 SER H H 101 8.904 8.904 7.853 1.051 25852 8786 1 13 . 1 1 102 102 ALA N N 102 122.796 122.796 124.996 -2.200 25852 8787 1 13 . 1 1 102 102 ALA HA H 102 3.747 3.747 4.013 -0.266 25852 8788 1 13 . 1 1 102 102 ALA CA C 102 53.093 53.093 55.011 -1.918 25852 8789 1 13 . 1 1 102 102 ALA CB C 102 15.114 15.114 18.449 -3.335 25852 8790 1 13 . 1 1 102 102 ALA H H 102 9.246 9.246 8.298 0.948 25852 8791 1 13 . 1 1 103 103 ALA N N 103 118.362 118.362 117.904 0.458 25852 8792 1 13 . 1 1 103 103 ALA HA H 103 3.861 3.861 4.183 -0.322 25852 8793 1 13 . 1 1 103 103 ALA CA C 103 52.409 52.409 53.703 -1.294 25852 8794 1 13 . 1 1 103 103 ALA CB C 103 15.456 15.456 18.649 -3.193 25852 8795 1 13 . 1 1 103 103 ALA H H 103 8.214 8.214 8.278 -0.064 25852 8796 1 13 . 1 1 104 104 GLU N N 104 120.187 120.187 120.247 -0.060 25852 8797 1 13 . 1 1 104 104 GLU HA H 104 3.904 3.904 4.197 -0.293 25852 8798 1 13 . 1 1 104 104 GLU CA C 104 56.563 56.563 58.454 -1.891 25852 8799 1 13 . 1 1 104 104 GLU CB C 104 26.400 26.400 29.568 -3.168 25852 8800 1 13 . 1 1 104 104 GLU H H 104 7.864 7.864 7.870 -0.006 25852 8801 1 13 . 1 1 105 105 LEU N N 105 121.050 121.050 120.345 0.705 25852 8802 1 13 . 1 1 105 105 LEU HA H 105 3.892 3.892 4.238 -0.346 25852 8803 1 13 . 1 1 105 105 LEU CA C 105 55.732 55.732 57.885 -2.153 25852 8804 1 13 . 1 1 105 105 LEU CB C 105 39.340 39.340 42.210 -2.870 25852 8805 1 13 . 1 1 105 105 LEU H H 105 8.341 8.341 8.521 -0.180 25852 8806 1 13 . 1 1 106 106 ARG N N 106 118.494 118.494 119.611 -1.117 25852 8807 1 13 . 1 1 106 106 ARG HA H 106 3.904 3.904 4.046 -0.142 25852 8808 1 13 . 1 1 106 106 ARG CA C 106 55.724 55.724 58.821 -3.097 25852 8809 1 13 . 1 1 106 106 ARG CB C 106 29.945 29.945 29.145 0.800 25852 8810 1 13 . 1 1 106 106 ARG H H 106 8.852 8.852 7.745 1.107 25852 8811 1 13 . 1 1 107 107 HIS N N 107 118.921 118.921 119.196 -0.275 25852 8812 1 13 . 1 1 107 107 HIS HA H 107 3.876 3.876 4.445 -0.569 25852 8813 1 13 . 1 1 107 107 HIS CA C 107 56.807 56.807 59.282 -2.475 25852 8814 1 13 . 1 1 107 107 HIS CB C 107 27.198 27.198 30.052 -2.854 25852 8815 1 13 . 1 1 107 107 HIS H H 107 8.045 8.045 8.486 -0.441 25852 8816 1 13 . 1 1 108 108 VAL N N 108 118.991 118.991 121.061 -2.070 25852 8817 1 13 . 1 1 108 108 VAL HA H 108 3.385 3.385 3.492 -0.107 25852 8818 1 13 . 1 1 108 108 VAL CA C 108 64.285 64.285 66.419 -2.134 25852 8819 1 13 . 1 1 108 108 VAL CB C 108 28.908 28.908 31.763 -2.855 25852 8820 1 13 . 1 1 108 108 VAL H H 108 7.766 7.766 8.603 -0.837 25852 8821 1 13 . 1 1 109 109 MET N N 109 115.789 115.789 119.062 -3.273 25852 8822 1 13 . 1 1 109 109 MET HA H 109 4.139 4.139 4.190 -0.051 25852 8823 1 13 . 1 1 109 109 MET CA C 109 54.461 54.461 56.173 -1.712 25852 8824 1 13 . 1 1 109 109 MET CB C 109 29.706 29.706 30.916 -1.210 25852 8825 1 13 . 1 1 109 109 MET H H 109 8.333 8.333 8.577 -0.244 25852 8826 1 13 . 1 1 110 110 THR N N 110 116.700 116.700 114.371 2.329 25852 8827 1 13 . 1 1 110 110 THR HA H 110 3.935 3.935 4.207 -0.272 25852 8828 1 13 . 1 1 110 110 THR CA C 110 63.845 63.845 65.394 -1.549 25852 8829 1 13 . 1 1 110 110 THR CB C 110 66.072 66.072 68.356 -2.284 25852 8830 1 13 . 1 1 110 110 THR H H 110 8.603 8.603 8.236 0.367 25852 8831 1 13 . 1 1 111 111 ASN N N 111 123.354 123.354 118.193 5.161 25852 8832 1 13 . 1 1 111 111 ASN HA H 111 4.242 4.242 4.543 -0.301 25852 8833 1 13 . 1 1 111 111 ASN CA C 111 53.093 53.093 55.395 -2.301 25852 8834 1 13 . 1 1 111 111 ASN CB C 111 35.292 35.292 38.565 -3.273 25852 8835 1 13 . 1 1 111 111 ASN H H 111 7.991 7.991 7.248 0.743 25852 8836 1 13 . 1 1 112 112 LEU N N 112 118.291 118.291 116.927 1.364 25852 8837 1 13 . 1 1 112 112 LEU HA H 112 4.182 4.182 4.118 0.064 25852 8838 1 13 . 1 1 112 112 LEU CA C 112 52.653 52.653 55.935 -3.282 25852 8839 1 13 . 1 1 112 112 LEU CB C 112 39.738 39.738 42.682 -2.944 25852 8840 1 13 . 1 1 112 112 LEU H H 112 7.754 7.754 7.793 -0.039 25852 8841 1 13 . 1 1 113 113 GLY N N 113 106.894 106.894 103.891 3.003 25852 8842 1 13 . 1 1 113 113 GLY CA C 113 42.536 42.536 44.434 -1.899 25852 8843 1 13 . 1 1 113 113 GLY H H 113 7.778 7.778 8.093 -0.315 25852 8844 1 13 . 1 1 114 114 GLU N N 114 119.776 119.776 121.317 -1.541 25852 8845 1 13 . 1 1 114 114 GLU HA H 114 4.267 4.267 4.485 -0.218 25852 8846 1 13 . 1 1 114 114 GLU CA C 114 52.067 52.067 55.184 -3.117 25852 8847 1 13 . 1 1 114 114 GLU CB C 114 26.616 26.616 32.238 -5.622 25852 8848 1 13 . 1 1 114 114 GLU H H 114 7.957 7.957 8.416 -0.459 25852 8849 1 13 . 1 1 115 115 LYS N N 115 124.429 124.429 121.287 3.142 25852 8850 1 13 . 1 1 115 115 LYS HA H 115 4.255 4.255 4.483 -0.228 25852 8851 1 13 . 1 1 115 115 LYS CA C 115 52.848 52.848 55.475 -2.627 25852 8852 1 13 . 1 1 115 115 LYS CB C 115 30.518 30.518 33.572 -3.054 25852 8853 1 13 . 1 1 115 115 LYS H H 115 8.591 8.591 8.393 0.198 25852 8854 1 13 . 1 1 116 116 LEU N N 116 124.724 124.724 126.096 -1.372 25852 8855 1 13 . 1 1 116 116 LEU HA H 116 4.690 4.690 4.878 -0.188 25852 8856 1 13 . 1 1 116 116 LEU CA C 116 51.089 51.089 53.983 -2.894 25852 8857 1 13 . 1 1 116 116 LEU CB C 116 42.588 42.588 44.480 -1.892 25852 8858 1 13 . 1 1 116 116 LEU H H 116 8.066 8.066 8.501 -0.435 25852 8859 1 13 . 1 1 117 117 THR N N 117 113.912 113.912 118.979 -5.067 25852 8860 1 13 . 1 1 117 117 THR HA H 117 4.302 4.302 4.363 -0.061 25852 8861 1 13 . 1 1 117 117 THR CA C 117 57.834 57.834 61.213 -3.379 25852 8862 1 13 . 1 1 117 117 THR CB C 117 68.580 68.580 70.646 -2.066 25852 8863 1 13 . 1 1 117 117 THR H H 117 9.165 9.165 8.886 0.279 25852 8864 1 13 . 1 1 118 118 ASP N N 118 120.787 120.787 120.352 0.435 25852 8865 1 13 . 1 1 118 118 ASP HA H 118 4.061 4.061 4.447 -0.386 25852 8866 1 13 . 1 1 118 118 ASP CA C 118 55.243 55.243 57.608 -2.365 25852 8867 1 13 . 1 1 118 118 ASP CB C 118 37.002 37.002 40.916 -3.914 25852 8868 1 13 . 1 1 118 118 ASP H H 118 8.860 8.860 8.759 0.101 25852 8869 1 13 . 1 1 119 119 GLU N N 119 119.091 119.091 117.457 1.634 25852 8870 1 13 . 1 1 119 119 GLU HA H 119 3.892 3.892 4.400 -0.508 25852 8871 1 13 . 1 1 119 119 GLU CA C 119 57.149 57.149 57.371 -0.222 25852 8872 1 13 . 1 1 119 119 GLU CB C 119 25.931 25.931 29.415 -3.484 25852 8873 1 13 . 1 1 119 119 GLU H H 119 8.618 8.618 8.493 0.125 25852 8874 1 13 . 1 1 120 120 GLU N N 120 120.037 120.037 117.465 2.572 25852 8875 1 13 . 1 1 120 120 GLU HA H 120 3.880 3.880 4.221 -0.341 25852 8876 1 13 . 1 1 120 120 GLU CA C 120 56.319 56.319 57.835 -1.516 25852 8877 1 13 . 1 1 120 120 GLU CB C 120 25.830 25.830 29.726 -3.896 25852 8878 1 13 . 1 1 120 120 GLU H H 120 7.659 7.659 8.417 -0.758 25852 8879 1 13 . 1 1 121 121 VAL N N 121 122.512 122.512 115.679 6.833 25852 8880 1 13 . 1 1 121 121 VAL HA H 121 3.385 3.385 3.992 -0.607 25852 8881 1 13 . 1 1 121 121 VAL CA C 121 64.090 64.090 64.307 -0.217 25852 8882 1 13 . 1 1 121 121 VAL CB C 121 28.680 28.680 31.816 -3.136 25852 8883 1 13 . 1 1 121 121 VAL H H 121 7.887 7.887 7.347 0.540 25852 8884 1 13 . 1 1 122 122 ASP N N 122 119.993 119.993 118.631 1.362 25852 8885 1 13 . 1 1 122 122 ASP HA H 122 4.157 4.157 4.435 -0.278 25852 8886 1 13 . 1 1 122 122 ASP CA C 122 54.901 54.901 56.467 -1.566 25852 8887 1 13 . 1 1 122 122 ASP CB C 122 37.572 37.572 39.538 -1.966 25852 8888 1 13 . 1 1 122 122 ASP H H 122 7.973 7.973 8.548 -0.575 25852 8889 1 13 . 1 1 123 123 GLU N N 123 119.521 119.521 113.287 6.234 25852 8890 1 13 . 1 1 123 123 GLU HA H 123 3.880 3.880 4.435 -0.555 25852 8891 1 13 . 1 1 123 123 GLU CA C 123 56.612 56.612 56.786 -0.174 25852 8892 1 13 . 1 1 123 123 GLU CB C 123 26.172 26.172 31.216 -5.044 25852 8893 1 13 . 1 1 123 123 GLU H H 123 7.903 7.903 7.722 0.181 25852 8894 1 13 . 1 1 124 124 MET N N 124 118.961 118.961 118.985 -0.024 25852 8895 1 13 . 1 1 124 124 MET HA H 124 3.892 3.892 4.412 -0.520 25852 8896 1 13 . 1 1 124 124 MET CA C 124 56.905 56.905 56.954 -0.049 25852 8897 1 13 . 1 1 124 124 MET CB C 124 29.250 29.250 33.212 -3.962 25852 8898 1 13 . 1 1 124 124 MET H H 124 7.496 7.496 7.810 -0.314 25852 8899 1 13 . 1 1 125 125 ILE N N 125 117.801 117.801 118.080 -0.279 25852 8900 1 13 . 1 1 125 125 ILE HA H 125 3.409 3.409 3.884 -0.475 25852 8901 1 13 . 1 1 125 125 ILE CA C 125 60.131 60.131 63.530 -3.399 25852 8902 1 13 . 1 1 125 125 ILE CB C 125 33.240 33.240 39.052 -5.812 25852 8903 1 13 . 1 1 125 125 ILE H H 125 7.762 7.762 8.287 -0.525 25852 8904 1 13 . 1 1 126 126 ARG N N 126 117.729 117.729 117.735 -0.006 25852 8905 1 13 . 1 1 126 126 ARG HA H 126 3.883 3.883 4.220 -0.337 25852 8906 1 13 . 1 1 126 126 ARG CA C 126 56.673 56.673 59.023 -2.350 25852 8907 1 13 . 1 1 126 126 ARG CB C 126 29.478 29.478 30.108 -0.629 25852 8908 1 13 . 1 1 126 126 ARG H H 126 8.055 8.055 8.462 -0.407 25852 8909 1 13 . 1 1 127 127 GLU N N 127 117.539 117.539 117.041 0.498 25852 8910 1 13 . 1 1 127 127 GLU HA H 127 3.861 3.861 4.128 -0.267 25852 8911 1 13 . 1 1 127 127 GLU CA C 127 56.319 56.319 58.392 -2.072 25852 8912 1 13 . 1 1 127 127 GLU CB C 127 26.286 26.286 29.320 -3.034 25852 8913 1 13 . 1 1 127 127 GLU H H 127 7.700 7.700 7.700 0.000 25852 8914 1 13 . 1 1 128 128 ALA N N 128 116.677 116.677 119.355 -2.678 25852 8915 1 13 . 1 1 128 128 ALA HA H 128 4.500 4.500 4.475 0.025 25852 8916 1 13 . 1 1 128 128 ALA CA C 128 48.205 48.205 51.274 -3.069 25852 8917 1 13 . 1 1 128 128 ALA CB C 128 19.633 19.633 21.020 -1.387 25852 8918 1 13 . 1 1 128 128 ALA H H 128 7.223 7.223 7.681 -0.458 25852 8919 1 13 . 1 1 129 129 ASP N N 129 118.030 118.030 119.398 -1.368 25852 8920 1 13 . 1 1 129 129 ASP HA H 129 4.460 4.460 4.707 -0.247 25852 8921 1 13 . 1 1 129 129 ASP CA C 129 51.485 51.485 54.990 -3.506 25852 8922 1 13 . 1 1 129 129 ASP CB C 129 38.195 38.195 40.987 -2.792 25852 8923 1 13 . 1 1 129 129 ASP H H 129 7.895 7.895 8.275 -0.380 25852 8924 1 13 . 1 1 130 130 ILE N N 130 127.693 127.693 125.008 2.685 25852 8925 1 13 . 1 1 130 130 ILE HA H 130 3.797 3.797 4.051 -0.254 25852 8926 1 13 . 1 1 130 130 ILE CA C 130 60.522 60.522 61.828 -1.306 25852 8927 1 13 . 1 1 130 130 ILE CB C 130 36.090 36.090 38.201 -2.111 25852 8928 1 13 . 1 1 130 130 ILE H H 130 8.148 8.148 9.130 -0.982 25852 8929 1 13 . 1 1 131 131 ASP N N 131 116.409 116.409 119.899 -3.490 25852 8930 1 13 . 1 1 131 131 ASP HA H 131 4.376 4.376 4.632 -0.256 25852 8931 1 13 . 1 1 131 131 ASP CA C 131 51.187 51.187 54.742 -3.554 25852 8932 1 13 . 1 1 131 131 ASP CB C 131 37.468 37.468 42.113 -4.645 25852 8933 1 13 . 1 1 131 131 ASP H H 131 8.288 8.288 8.114 0.174 25852 8934 1 13 . 1 1 132 132 GLY N N 132 108.363 108.363 108.516 -0.153 25852 8935 1 13 . 1 1 132 132 GLY CA C 132 44.638 44.638 45.410 -0.772 25852 8936 1 13 . 1 1 132 132 GLY H H 132 7.630 7.630 8.693 -1.063 25852 8937 1 13 . 1 1 133 133 ASP N N 133 120.183 120.183 120.288 -0.105 25852 8938 1 13 . 1 1 133 133 ASP HA H 133 4.329 4.329 4.595 -0.266 25852 8939 1 13 . 1 1 133 133 ASP CA C 133 50.942 50.942 54.193 -3.251 25852 8940 1 13 . 1 1 133 133 ASP CB C 133 37.458 37.458 41.076 -3.618 25852 8941 1 13 . 1 1 133 133 ASP H H 133 8.298 8.298 8.266 0.032 25852 8942 1 13 . 1 1 134 134 GLY N N 134 112.149 112.149 107.091 5.058 25852 8943 1 13 . 1 1 134 134 GLY CA C 134 43.122 43.122 45.114 -1.992 25852 8944 1 13 . 1 1 134 134 GLY H H 134 10.079 10.079 8.158 1.921 25852 8945 1 13 . 1 1 135 135 GLN N N 135 115.069 115.069 116.711 -1.642 25852 8946 1 13 . 1 1 135 135 GLN HA H 135 4.844 4.844 4.651 0.193 25852 8947 1 13 . 1 1 135 135 GLN CA C 135 50.454 50.454 54.324 -3.870 25852 8948 1 13 . 1 1 135 135 GLN CB C 135 30.614 30.614 33.156 -2.542 25852 8949 1 13 . 1 1 135 135 GLN H H 135 7.922 7.922 7.693 0.229 25852 8950 1 13 . 1 1 136 136 VAL N N 136 125.107 125.107 119.896 5.211 25852 8951 1 13 . 1 1 136 136 VAL HA H 136 5.096 5.096 5.189 -0.093 25852 8952 1 13 . 1 1 136 136 VAL CA C 136 58.713 58.713 60.218 -1.505 25852 8953 1 13 . 1 1 136 136 VAL CB C 136 31.416 31.416 35.292 -3.876 25852 8954 1 13 . 1 1 136 136 VAL H H 136 9.046 9.046 7.887 1.159 25852 8955 1 13 . 1 1 137 137 ASN N N 137 128.858 128.858 125.066 3.792 25852 8956 1 13 . 1 1 137 137 ASN HA H 137 5.226 5.226 5.404 -0.178 25852 8957 1 13 . 1 1 137 137 ASN CA C 137 48.352 48.352 52.297 -3.945 25852 8958 1 13 . 1 1 137 137 ASN CB C 137 35.640 35.640 40.401 -4.761 25852 8959 1 13 . 1 1 137 137 ASN H H 137 9.458 9.458 8.618 0.840 25852 8960 1 13 . 1 1 138 138 TYR N N 138 118.481 118.481 120.981 -2.500 25852 8961 1 13 . 1 1 138 138 TYR HA H 138 3.603 3.603 4.446 -0.843 25852 8962 1 13 . 1 1 138 138 TYR CA C 138 59.669 59.669 63.543 -3.874 25852 8963 1 13 . 1 1 138 138 TYR CB C 138 37.572 37.572 37.932 -0.360 25852 8964 1 13 . 1 1 138 138 TYR H H 138 8.235 8.235 9.088 -0.853 25852 8965 1 13 . 1 1 139 139 GLU N N 139 118.474 118.474 117.749 0.725 25852 8966 1 13 . 1 1 139 139 GLU HA H 139 3.868 3.868 4.085 -0.217 25852 8967 1 13 . 1 1 139 139 GLU CA C 139 57.540 57.540 59.960 -2.420 25852 8968 1 13 . 1 1 139 139 GLU CB C 139 26.274 26.274 29.273 -2.998 25852 8969 1 13 . 1 1 139 139 GLU H H 139 8.067 8.067 8.741 -0.674 25852 8970 1 13 . 1 1 140 140 GLU N N 140 119.279 119.279 118.458 0.821 25852 8971 1 13 . 1 1 140 140 GLU HA H 140 3.880 3.880 4.189 -0.309 25852 8972 1 13 . 1 1 140 140 GLU CA C 140 56.025 56.025 58.588 -2.563 25852 8973 1 13 . 1 1 140 140 GLU CB C 140 26.274 26.274 29.934 -3.660 25852 8974 1 13 . 1 1 140 140 GLU H H 140 8.742 8.742 8.214 0.528 25852 8975 1 13 . 1 1 141 141 PHE N N 141 124.141 124.141 120.544 3.597 25852 8976 1 13 . 1 1 141 141 PHE HA H 141 3.602 3.602 4.255 -0.653 25852 8977 1 13 . 1 1 141 141 PHE CA C 141 59.447 59.447 60.871 -1.424 25852 8978 1 13 . 1 1 141 141 PHE CB C 141 37.686 37.686 39.487 -1.801 25852 8979 1 13 . 1 1 141 141 PHE H H 141 8.593 8.593 8.045 0.548 25852 8980 1 13 . 1 1 142 142 VAL N N 142 118.383 118.383 117.806 0.577 25852 8981 1 13 . 1 1 142 142 VAL HA H 142 2.986 2.986 3.739 -0.753 25852 8982 1 13 . 1 1 142 142 VAL CA C 142 64.432 64.432 65.601 -1.169 25852 8983 1 13 . 1 1 142 142 VAL CB C 142 28.908 28.908 32.011 -3.103 25852 8984 1 13 . 1 1 142 142 VAL H H 142 8.776 8.776 8.431 0.345 25852 8985 1 13 . 1 1 143 143 GLN N N 143 119.891 119.891 119.589 0.302 25852 8986 1 13 . 1 1 143 143 GLN HA H 143 3.671 3.671 4.012 -0.341 25852 8987 1 13 . 1 1 143 143 GLN CA C 143 56.514 56.514 58.788 -2.274 25852 8988 1 13 . 1 1 143 143 GLN CB C 143 25.246 25.246 28.531 -3.285 25852 8989 1 13 . 1 1 143 143 GLN H H 143 7.787 7.787 7.786 0.001 25852 8990 1 13 . 1 1 144 144 MET N N 144 118.429 118.429 119.308 -0.879 25852 8991 1 13 . 1 1 144 144 MET HA H 144 3.892 3.892 4.220 -0.328 25852 8992 1 13 . 1 1 144 144 MET CA C 144 55.683 55.683 57.863 -2.180 25852 8993 1 13 . 1 1 144 144 MET CB C 144 28.110 28.110 32.137 -4.027 25852 8994 1 13 . 1 1 144 144 MET H H 144 7.450 7.450 7.662 -0.212 25852 8995 1 13 . 1 1 145 145 MET N N 145 114.145 114.145 114.545 -0.400 25852 8996 1 13 . 1 1 145 145 MET HA H 145 3.905 3.905 4.525 -0.620 25852 8997 1 13 . 1 1 145 145 MET CA C 145 53.630 53.630 56.998 -3.368 25852 8998 1 13 . 1 1 145 145 MET CB C 145 29.592 29.592 32.435 -2.843 25852 8999 1 13 . 1 1 145 145 MET H H 145 7.724 7.724 7.682 0.042 25852 9000 1 13 . 1 1 146 146 THR N N 146 108.482 108.482 113.454 -4.972 25852 9001 1 13 . 1 1 146 146 THR HA H 146 4.170 4.170 4.383 -0.213 25852 9002 1 13 . 1 1 146 146 THR CA C 146 59.251 59.251 61.815 -2.564 25852 9003 1 13 . 1 1 146 146 THR CB C 146 67.896 67.896 69.684 -1.788 25852 9004 1 13 . 1 1 146 146 THR H H 146 7.700 7.700 7.546 0.154 25852 9005 1 13 . 1 1 147 147 ALA N N 147 126.469 126.469 124.569 1.900 25852 9006 1 13 . 1 1 147 147 ALA HA H 147 4.095 4.095 3.929 0.166 25852 9007 1 13 . 1 1 147 147 ALA CA C 147 50.307 50.307 54.317 -4.010 25852 9008 1 13 . 1 1 147 147 ALA CB C 147 16.336 16.336 18.821 -2.485 25852 9009 1 13 . 1 1 147 147 ALA H H 147 7.291 7.291 8.818 -1.527 25852 9010 1 14 . 1 1 3 3 GLN N N 3 118.120 118.120 122.898 -4.778 25852 9011 1 14 . 1 1 3 3 GLN HA H 3 4.688 4.688 4.560 0.128 25852 9012 1 14 . 1 1 3 3 GLN CA C 3 53.500 53.500 57.064 -3.564 25852 9013 1 14 . 1 1 3 3 GLN CB C 3 29.475 29.475 30.125 -0.649 25852 9014 1 14 . 1 1 3 3 GLN H H 3 8.134 8.134 9.403 -1.269 25852 9015 1 14 . 1 1 4 4 LEU N N 4 121.407 121.407 117.371 4.036 25852 9016 1 14 . 1 1 4 4 LEU HA H 4 4.460 4.460 4.669 -0.209 25852 9017 1 14 . 1 1 4 4 LEU CA C 4 51.650 51.650 53.955 -2.305 25852 9018 1 14 . 1 1 4 4 LEU CB C 4 40.715 40.715 41.911 -1.196 25852 9019 1 14 . 1 1 4 4 LEU H H 4 8.202 8.202 7.974 0.228 25852 9020 1 14 . 1 1 5 5 THR N N 5 112.733 112.733 108.945 3.788 25852 9021 1 14 . 1 1 5 5 THR HA H 5 4.265 4.265 4.491 -0.226 25852 9022 1 14 . 1 1 5 5 THR CA C 5 59.433 59.433 60.517 -1.084 25852 9023 1 14 . 1 1 5 5 THR CB C 5 67.475 67.475 70.204 -2.729 25852 9024 1 14 . 1 1 5 5 THR H H 5 8.691 8.691 7.782 0.909 25852 9025 1 14 . 1 1 6 6 GLU N N 6 119.971 119.971 119.947 0.024 25852 9026 1 14 . 1 1 6 6 GLU HA H 6 3.854 3.854 3.844 0.010 25852 9027 1 14 . 1 1 6 6 GLU CA C 6 56.756 56.756 59.702 -2.946 25852 9028 1 14 . 1 1 6 6 GLU CB C 6 26.508 26.508 29.426 -2.918 25852 9029 1 14 . 1 1 6 6 GLU H H 6 8.953 8.953 8.840 0.113 25852 9030 1 14 . 1 1 7 7 GLU N N 7 119.133 119.133 118.067 1.066 25852 9031 1 14 . 1 1 7 7 GLU HA H 7 3.898 3.898 3.935 -0.037 25852 9032 1 14 . 1 1 7 7 GLU CA C 7 56.756 56.756 58.842 -2.086 25852 9033 1 14 . 1 1 7 7 GLU CB C 7 26.279 26.279 28.750 -2.471 25852 9034 1 14 . 1 1 7 7 GLU H H 7 8.653 8.653 8.406 0.247 25852 9035 1 14 . 1 1 8 8 GLN N N 8 120.207 120.207 119.196 1.011 25852 9036 1 14 . 1 1 8 8 GLN HA H 8 3.957 3.957 4.119 -0.162 25852 9037 1 14 . 1 1 8 8 GLN CA C 8 57.099 57.099 58.669 -1.570 25852 9038 1 14 . 1 1 8 8 GLN CB C 8 26.737 26.737 28.871 -2.134 25852 9039 1 14 . 1 1 8 8 GLN H H 8 7.645 7.645 7.496 0.149 25852 9040 1 14 . 1 1 9 9 ILE N N 9 118.171 118.171 120.157 -1.986 25852 9041 1 14 . 1 1 9 9 ILE HA H 9 3.354 3.354 3.322 0.032 25852 9042 1 14 . 1 1 9 9 ILE CA C 9 62.714 62.714 63.164 -0.450 25852 9043 1 14 . 1 1 9 9 ILE CB C 9 35.216 35.216 36.346 -1.130 25852 9044 1 14 . 1 1 9 9 ILE H H 9 8.153 8.153 7.171 0.982 25852 9045 1 14 . 1 1 10 10 ALA N N 10 120.124 120.124 120.383 -0.259 25852 9046 1 14 . 1 1 10 10 ALA HA H 10 3.966 3.966 4.222 -0.256 25852 9047 1 14 . 1 1 10 10 ALA CA C 10 52.746 52.746 54.872 -2.126 25852 9048 1 14 . 1 1 10 10 ALA CB C 10 15.165 15.165 18.926 -3.761 25852 9049 1 14 . 1 1 10 10 ALA H H 10 7.835 7.835 8.354 -0.519 25852 9050 1 14 . 1 1 11 11 GLU N N 11 119.983 119.983 115.836 4.147 25852 9051 1 14 . 1 1 11 11 GLU HA H 11 3.904 3.904 4.908 -1.004 25852 9052 1 14 . 1 1 11 11 GLU CA C 11 56.560 56.560 56.943 -0.383 25852 9053 1 14 . 1 1 11 11 GLU CB C 11 27.425 27.425 31.353 -3.928 25852 9054 1 14 . 1 1 11 11 GLU H H 11 7.706 7.706 7.685 0.021 25852 9055 1 14 . 1 1 12 12 PHE N N 12 119.907 119.907 120.237 -0.330 25852 9056 1 14 . 1 1 12 12 PHE HA H 12 4.726 4.726 4.652 0.074 25852 9057 1 14 . 1 1 12 12 PHE CA C 12 55.839 55.839 59.043 -3.204 25852 9058 1 14 . 1 1 12 12 PHE CB C 12 33.955 33.955 38.756 -4.801 25852 9059 1 14 . 1 1 12 12 PHE H H 12 8.728 8.728 9.227 -0.499 25852 9060 1 14 . 1 1 13 13 LYS N N 13 121.208 121.208 120.310 0.898 25852 9061 1 14 . 1 1 13 13 LYS HA H 13 3.904 3.904 3.796 0.108 25852 9062 1 14 . 1 1 13 13 LYS CA C 13 57.290 57.290 58.966 -1.676 25852 9063 1 14 . 1 1 13 13 LYS CB C 13 30.174 30.174 32.565 -2.391 25852 9064 1 14 . 1 1 13 13 LYS H H 13 9.161 9.161 8.300 0.861 25852 9065 1 14 . 1 1 14 14 GLU N N 14 120.226 120.226 120.658 -0.432 25852 9066 1 14 . 1 1 14 14 GLU HA H 14 3.953 3.953 4.180 -0.227 25852 9067 1 14 . 1 1 14 14 GLU CA C 14 56.460 56.460 58.641 -2.181 25852 9068 1 14 . 1 1 14 14 GLU CB C 14 26.623 26.623 29.407 -2.784 25852 9069 1 14 . 1 1 14 14 GLU H H 14 7.980 7.980 8.175 -0.195 25852 9070 1 14 . 1 1 15 15 ALA N N 15 120.572 120.572 122.076 -1.504 25852 9071 1 14 . 1 1 15 15 ALA HA H 15 4.170 4.170 4.202 -0.032 25852 9072 1 14 . 1 1 15 15 ALA CA C 15 52.750 52.750 54.858 -2.108 25852 9073 1 14 . 1 1 15 15 ALA CB C 15 16.425 16.425 18.667 -2.242 25852 9074 1 14 . 1 1 15 15 ALA H H 15 7.563 7.563 8.664 -1.101 25852 9075 1 14 . 1 1 16 16 PHE N N 16 117.784 117.784 116.199 1.585 25852 9076 1 14 . 1 1 16 16 PHE HA H 16 3.904 3.904 4.458 -0.554 25852 9077 1 14 . 1 1 16 16 PHE CA C 16 59.540 59.540 58.620 0.920 25852 9078 1 14 . 1 1 16 16 PHE CB C 16 36.820 36.820 39.718 -2.898 25852 9079 1 14 . 1 1 16 16 PHE H H 16 8.453 8.453 7.399 1.054 25852 9080 1 14 . 1 1 17 17 SER N N 17 110.774 110.774 116.008 -5.234 25852 9081 1 14 . 1 1 17 17 SER HA H 17 4.086 4.086 3.977 0.109 25852 9082 1 14 . 1 1 17 17 SER CA C 17 58.560 58.560 60.010 -1.450 25852 9083 1 14 . 1 1 17 17 SER CB C 17 60.651 60.651 62.870 -2.219 25852 9084 1 14 . 1 1 17 17 SER H H 17 8.351 8.351 7.863 0.488 25852 9085 1 14 . 1 1 18 18 LEU N N 18 120.947 120.947 121.803 -0.856 25852 9086 1 14 . 1 1 18 18 LEU HA H 18 3.614 3.614 4.016 -0.402 25852 9087 1 14 . 1 1 18 18 LEU CA C 18 55.839 55.839 58.432 -2.593 25852 9088 1 14 . 1 1 18 18 LEU CB C 18 39.111 39.111 42.548 -3.437 25852 9089 1 14 . 1 1 18 18 LEU H H 18 7.278 7.278 8.408 -1.130 25852 9090 1 14 . 1 1 19 19 PHE N N 19 114.458 114.458 113.576 0.882 25852 9091 1 14 . 1 1 19 19 PHE HA H 19 3.904 3.904 4.486 -0.582 25852 9092 1 14 . 1 1 19 19 PHE CA C 19 56.870 56.870 57.970 -1.100 25852 9093 1 14 . 1 1 19 19 PHE CB C 19 33.841 33.841 41.631 -7.790 25852 9094 1 14 . 1 1 19 19 PHE H H 19 7.304 7.304 7.507 -0.203 25852 9095 1 14 . 1 1 20 20 ASP N N 20 122.233 122.233 122.314 -0.081 25852 9096 1 14 . 1 1 20 20 ASP HA H 20 4.874 4.874 4.839 0.035 25852 9097 1 14 . 1 1 20 20 ASP CA C 20 50.454 50.454 53.386 -2.932 25852 9098 1 14 . 1 1 20 20 ASP CB C 20 37.622 37.622 39.304 -1.683 25852 9099 1 14 . 1 1 20 20 ASP H H 20 7.233 7.233 7.986 -0.753 25852 9100 1 14 . 1 1 21 21 LYS N N 21 123.433 123.433 122.320 1.113 25852 9101 1 14 . 1 1 21 21 LYS HA H 21 3.771 3.771 4.002 -0.231 25852 9102 1 14 . 1 1 21 21 LYS CA C 21 56.025 56.025 58.252 -2.227 25852 9103 1 14 . 1 1 21 21 LYS CB C 21 29.601 29.601 32.451 -2.850 25852 9104 1 14 . 1 1 21 21 LYS H H 21 8.007 8.007 7.851 0.156 25852 9105 1 14 . 1 1 22 22 ASP N N 22 116.890 116.890 118.141 -1.251 25852 9106 1 14 . 1 1 22 22 ASP HA H 22 4.400 4.400 4.511 -0.111 25852 9107 1 14 . 1 1 22 22 ASP CA C 22 50.683 50.683 54.285 -3.602 25852 9108 1 14 . 1 1 22 22 ASP CB C 22 37.049 37.049 40.295 -3.246 25852 9109 1 14 . 1 1 22 22 ASP H H 22 8.641 8.641 8.306 0.335 25852 9110 1 14 . 1 1 23 23 GLY N N 23 110.068 110.068 107.282 2.786 25852 9111 1 14 . 1 1 23 23 GLY CA C 23 43.745 43.745 45.153 -1.408 25852 9112 1 14 . 1 1 23 23 GLY H H 23 7.938 7.938 7.865 0.073 25852 9113 1 14 . 1 1 24 24 ASP N N 24 120.219 120.219 119.899 0.320 25852 9114 1 14 . 1 1 24 24 ASP HA H 24 4.367 4.367 4.881 -0.514 25852 9115 1 14 . 1 1 24 24 ASP CA C 24 51.040 51.040 53.382 -2.342 25852 9116 1 14 . 1 1 24 24 ASP CB C 24 37.438 37.438 40.847 -3.409 25852 9117 1 14 . 1 1 24 24 ASP H H 24 8.723 8.723 8.257 0.466 25852 9118 1 14 . 1 1 25 25 GLY N N 25 111.889 111.889 108.902 2.987 25852 9119 1 14 . 1 1 25 25 GLY CA C 25 42.680 42.680 46.562 -3.881 25852 9120 1 14 . 1 1 25 25 GLY H H 25 10.132 10.132 8.862 1.270 25852 9121 1 14 . 1 1 26 26 THR N N 26 109.844 109.844 115.850 -6.006 25852 9122 1 14 . 1 1 26 26 THR HA H 26 5.386 5.386 5.062 0.324 25852 9123 1 14 . 1 1 26 26 THR CA C 26 56.950 56.950 60.743 -3.793 25852 9124 1 14 . 1 1 26 26 THR CB C 26 70.234 70.234 71.229 -0.995 25852 9125 1 14 . 1 1 26 26 THR H H 26 7.507 7.507 8.073 -0.566 25852 9126 1 14 . 1 1 27 27 ILE N N 27 110.289 110.289 117.239 -6.950 25852 9127 1 14 . 1 1 27 27 ILE HA H 27 3.891 3.891 4.751 -0.860 25852 9128 1 14 . 1 1 27 27 ILE CA C 27 58.360 58.360 58.782 -0.422 25852 9129 1 14 . 1 1 27 27 ILE CB C 27 35.559 35.559 41.205 -5.646 25852 9130 1 14 . 1 1 27 27 ILE H H 27 8.191 8.191 8.934 -0.743 25852 9131 1 14 . 1 1 28 28 THR N N 28 110.507 110.507 115.156 -4.649 25852 9132 1 14 . 1 1 28 28 THR HA H 28 4.895 4.895 4.454 0.441 25852 9133 1 14 . 1 1 28 28 THR CA C 28 57.787 57.787 62.328 -4.541 25852 9134 1 14 . 1 1 28 28 THR CB C 28 68.099 68.099 69.468 -1.369 25852 9135 1 14 . 1 1 28 28 THR H H 28 8.265 8.265 8.275 -0.010 25852 9136 1 14 . 1 1 29 29 THR N N 29 112.331 112.331 115.933 -3.602 25852 9137 1 14 . 1 1 29 29 THR HA H 29 3.941 3.941 3.977 -0.036 25852 9138 1 14 . 1 1 29 29 THR CA C 29 63.840 63.840 65.597 -1.757 25852 9139 1 14 . 1 1 29 29 THR CB C 29 65.807 65.807 68.832 -3.025 25852 9140 1 14 . 1 1 29 29 THR H H 29 8.225 8.225 8.147 0.078 25852 9141 1 14 . 1 1 30 30 LYS N N 30 118.985 118.985 120.669 -1.684 25852 9142 1 14 . 1 1 30 30 LYS HA H 30 3.965 3.965 4.028 -0.063 25852 9143 1 14 . 1 1 30 30 LYS CA C 30 55.839 55.839 58.588 -2.749 25852 9144 1 14 . 1 1 30 30 LYS CB C 30 29.372 29.372 32.078 -2.706 25852 9145 1 14 . 1 1 30 30 LYS H H 30 7.559 7.559 8.645 -1.086 25852 9146 1 14 . 1 1 31 31 GLU N N 31 117.233 117.233 114.400 2.833 25852 9147 1 14 . 1 1 31 31 GLU HA H 31 3.965 3.965 4.185 -0.220 25852 9148 1 14 . 1 1 31 31 GLU CA C 31 57.140 57.140 56.532 0.607 25852 9149 1 14 . 1 1 31 31 GLU CB C 31 26.393 26.393 30.333 -3.940 25852 9150 1 14 . 1 1 31 31 GLU H H 31 7.431 7.431 7.728 -0.297 25852 9151 1 14 . 1 1 32 32 LEU N N 32 120.701 120.701 121.335 -0.634 25852 9152 1 14 . 1 1 32 32 LEU HA H 32 3.880 3.880 3.814 0.066 25852 9153 1 14 . 1 1 32 32 LEU CA C 32 55.520 55.520 58.038 -2.518 25852 9154 1 14 . 1 1 32 32 LEU CB C 32 39.226 39.226 41.168 -1.942 25852 9155 1 14 . 1 1 32 32 LEU H H 32 7.270 7.270 7.484 -0.214 25852 9156 1 14 . 1 1 33 33 GLY N N 33 105.217 105.217 105.769 -0.552 25852 9157 1 14 . 1 1 33 33 GLY CA C 33 45.642 45.642 47.533 -1.891 25852 9158 1 14 . 1 1 33 33 GLY H H 33 8.737 8.737 8.166 0.571 25852 9159 1 14 . 1 1 34 34 THR N N 34 118.196 118.196 118.944 -0.748 25852 9160 1 14 . 1 1 34 34 THR HA H 34 3.916 3.916 4.045 -0.129 25852 9161 1 14 . 1 1 34 34 THR CA C 34 63.859 63.859 66.062 -2.203 25852 9162 1 14 . 1 1 34 34 THR CB C 34 65.807 65.807 68.748 -2.941 25852 9163 1 14 . 1 1 34 34 THR H H 34 7.446 7.446 7.337 0.109 25852 9164 1 14 . 1 1 35 35 VAL N N 35 122.546 122.546 121.517 1.029 25852 9165 1 14 . 1 1 35 35 VAL HA H 35 3.373 3.373 3.932 -0.559 25852 9166 1 14 . 1 1 35 35 VAL CA C 35 64.088 64.088 65.948 -1.860 25852 9167 1 14 . 1 1 35 35 VAL CB C 35 28.799 28.799 31.086 -2.287 25852 9168 1 14 . 1 1 35 35 VAL H H 35 7.889 7.889 7.429 0.460 25852 9169 1 14 . 1 1 36 36 MET N N 36 118.307 118.307 117.636 0.671 25852 9170 1 14 . 1 1 36 36 MET HA H 36 3.880 3.880 4.249 -0.369 25852 9171 1 14 . 1 1 36 36 MET CA C 36 56.870 56.870 57.141 -0.271 25852 9172 1 14 . 1 1 36 36 MET CB C 36 26.279 26.279 32.330 -6.051 25852 9173 1 14 . 1 1 36 36 MET H H 36 8.386 8.386 8.011 0.375 25852 9174 1 14 . 1 1 37 37 ARG N N 37 119.233 119.233 119.349 -0.116 25852 9175 1 14 . 1 1 37 37 ARG HA H 37 3.904 3.904 4.416 -0.512 25852 9176 1 14 . 1 1 37 37 ARG CA C 37 56.170 56.170 58.736 -2.566 25852 9177 1 14 . 1 1 37 37 ARG CB C 37 27.310 27.310 30.333 -3.023 25852 9178 1 14 . 1 1 37 37 ARG H H 37 8.451 8.451 8.354 0.097 25852 9179 1 14 . 1 1 38 38 SER N N 38 118.720 118.720 117.118 1.602 25852 9180 1 14 . 1 1 38 38 SER HA H 38 4.176 4.176 4.317 -0.141 25852 9181 1 14 . 1 1 38 38 SER CA C 38 59.250 59.250 61.205 -1.955 25852 9182 1 14 . 1 1 38 38 SER CB C 38 67.411 67.411 62.779 4.632 25852 9183 1 14 . 1 1 38 38 SER H H 38 8.040 8.040 8.378 -0.338 25852 9184 1 14 . 1 1 39 39 LEU N N 39 120.896 120.896 119.511 1.385 25852 9185 1 14 . 1 1 39 39 LEU HA H 39 4.460 4.460 4.439 0.021 25852 9186 1 14 . 1 1 39 39 LEU CA C 39 51.330 51.330 55.137 -3.807 25852 9187 1 14 . 1 1 39 39 LEU CB C 39 40.257 40.257 42.206 -1.949 25852 9188 1 14 . 1 1 39 39 LEU H H 39 7.263 7.263 7.441 -0.178 25852 9189 1 14 . 1 1 40 40 GLY N N 40 106.917 106.917 106.400 0.517 25852 9190 1 14 . 1 1 40 40 GLY CA C 40 42.880 42.880 44.543 -1.663 25852 9191 1 14 . 1 1 40 40 GLY H H 40 7.841 7.841 7.909 -0.068 25852 9192 1 14 . 1 1 41 41 GLN N N 41 117.171 117.171 120.225 -3.054 25852 9193 1 14 . 1 1 41 41 GLN HA H 41 4.243 4.243 4.305 -0.062 25852 9194 1 14 . 1 1 41 41 GLN CA C 41 52.631 52.631 55.612 -2.981 25852 9195 1 14 . 1 1 41 41 GLN CB C 41 30.747 30.747 29.631 1.116 25852 9196 1 14 . 1 1 41 41 GLN H H 41 7.687 7.687 7.794 -0.107 25852 9197 1 14 . 1 1 42 42 ASN N N 42 116.423 116.423 122.377 -5.954 25852 9198 1 14 . 1 1 42 42 ASN HA H 42 5.016 5.016 5.057 -0.041 25852 9199 1 14 . 1 1 42 42 ASN CA C 42 48.640 48.640 50.630 -1.990 25852 9200 1 14 . 1 1 42 42 ASN CB C 42 36.591 36.591 38.725 -2.135 25852 9201 1 14 . 1 1 42 42 ASN H H 42 8.601 8.601 8.759 -0.158 25852 9202 1 14 . 1 1 44 44 THR N N 44 113.033 113.033 113.135 -0.102 25852 9203 1 14 . 1 1 44 44 THR HA H 44 4.279 4.279 4.516 -0.237 25852 9204 1 14 . 1 1 44 44 THR CA C 44 57.640 57.640 59.648 -2.008 25852 9205 1 14 . 1 1 44 44 THR CB C 44 68.328 68.328 70.113 -1.785 25852 9206 1 14 . 1 1 44 44 THR H H 44 8.711 8.711 8.321 0.390 25852 9207 1 14 . 1 1 45 45 GLU N N 45 120.233 120.233 119.710 0.523 25852 9208 1 14 . 1 1 45 45 GLU HA H 45 3.892 3.892 4.226 -0.334 25852 9209 1 14 . 1 1 45 45 GLU CA C 45 56.756 56.756 58.524 -1.768 25852 9210 1 14 . 1 1 45 45 GLU CB C 45 26.393 26.393 29.698 -3.305 25852 9211 1 14 . 1 1 45 45 GLU H H 45 8.781 8.781 8.931 -0.150 25852 9212 1 14 . 1 1 46 46 ALA N N 46 120.833 120.833 122.874 -2.041 25852 9213 1 14 . 1 1 46 46 ALA HA H 46 3.868 3.868 4.172 -0.304 25852 9214 1 14 . 1 1 46 46 ALA CA C 46 52.310 52.310 54.827 -2.517 25852 9215 1 14 . 1 1 46 46 ALA CB C 46 15.394 15.394 18.404 -3.010 25852 9216 1 14 . 1 1 46 46 ALA H H 46 8.251 8.251 7.591 0.660 25852 9217 1 14 . 1 1 47 47 GLU N N 47 118.672 118.672 117.487 1.185 25852 9218 1 14 . 1 1 47 47 GLU HA H 47 3.965 3.965 4.368 -0.403 25852 9219 1 14 . 1 1 47 47 GLU CA C 47 56.641 56.641 58.180 -1.539 25852 9220 1 14 . 1 1 47 47 GLU CB C 47 26.623 26.623 29.411 -2.788 25852 9221 1 14 . 1 1 47 47 GLU H H 47 7.668 7.668 8.364 -0.696 25852 9222 1 14 . 1 1 48 48 LEU N N 48 119.645 119.645 119.887 -0.242 25852 9223 1 14 . 1 1 48 48 LEU HA H 48 3.892 3.892 4.190 -0.298 25852 9224 1 14 . 1 1 48 48 LEU CA C 48 55.610 55.610 57.689 -2.079 25852 9225 1 14 . 1 1 48 48 LEU CB C 48 39.340 39.340 41.383 -2.043 25852 9226 1 14 . 1 1 48 48 LEU H H 48 8.244 8.244 7.588 0.656 25852 9227 1 14 . 1 1 49 49 GLN N N 49 117.446 117.446 117.454 -0.008 25852 9228 1 14 . 1 1 49 49 GLN HA H 49 3.892 3.892 4.275 -0.383 25852 9229 1 14 . 1 1 49 49 GLN CA C 49 56.756 56.756 58.208 -1.452 25852 9230 1 14 . 1 1 49 49 GLN CB C 49 26.508 26.508 28.931 -2.423 25852 9231 1 14 . 1 1 49 49 GLN H H 49 7.980 7.980 7.840 0.140 25852 9232 1 14 . 1 1 50 50 ASP N N 50 118.733 118.733 120.447 -1.714 25852 9233 1 14 . 1 1 50 50 ASP HA H 50 4.267 4.267 4.500 -0.233 25852 9234 1 14 . 1 1 50 50 ASP CA C 50 54.700 54.700 56.769 -2.069 25852 9235 1 14 . 1 1 50 50 ASP CB C 50 37.622 37.622 40.883 -3.260 25852 9236 1 14 . 1 1 50 50 ASP H H 50 7.761 7.761 7.672 0.089 25852 9237 1 14 . 1 1 51 51 MET N N 51 118.996 118.996 118.371 0.625 25852 9238 1 14 . 1 1 51 51 MET HA H 51 3.892 3.892 4.346 -0.454 25852 9239 1 14 . 1 1 51 51 MET CA C 51 56.560 56.560 59.115 -2.555 25852 9240 1 14 . 1 1 51 51 MET CB C 51 29.601 29.601 33.532 -3.931 25852 9241 1 14 . 1 1 51 51 MET H H 51 7.900 7.900 8.246 -0.346 25852 9242 1 14 . 1 1 52 52 ILE N N 52 118.833 118.833 119.625 -0.792 25852 9243 1 14 . 1 1 52 52 ILE HA H 52 3.348 3.348 3.857 -0.509 25852 9244 1 14 . 1 1 52 52 ILE CA C 52 62.484 62.484 62.499 -0.015 25852 9245 1 14 . 1 1 52 52 ILE CB C 52 35.330 35.330 36.354 -1.024 25852 9246 1 14 . 1 1 52 52 ILE H H 52 8.261 8.261 7.774 0.487 25852 9247 1 14 . 1 1 53 53 ASN N N 53 117.296 117.296 118.249 -0.953 25852 9248 1 14 . 1 1 53 53 ASN HA H 53 4.243 4.243 4.525 -0.282 25852 9249 1 14 . 1 1 53 53 ASN CA C 53 53.090 53.090 55.945 -2.855 25852 9250 1 14 . 1 1 53 53 ASN CB C 53 35.330 35.330 38.913 -3.583 25852 9251 1 14 . 1 1 53 53 ASN H H 53 8.186 8.186 7.860 0.326 25852 9252 1 14 . 1 1 54 54 GLU N N 54 117.133 117.133 117.614 -0.481 25852 9253 1 14 . 1 1 54 54 GLU HA H 54 3.965 3.965 4.280 -0.315 25852 9254 1 14 . 1 1 54 54 GLU CA C 54 56.412 56.412 58.114 -1.702 25852 9255 1 14 . 1 1 54 54 GLU CB C 54 26.508 26.508 30.338 -3.830 25852 9256 1 14 . 1 1 54 54 GLU H H 54 7.501 7.501 7.667 -0.166 25852 9257 1 14 . 1 1 55 55 VAL N N 55 112.928 112.928 118.731 -5.803 25852 9258 1 14 . 1 1 55 55 VAL HA H 55 4.194 4.194 3.996 0.198 25852 9259 1 14 . 1 1 55 55 VAL CA C 55 59.505 59.505 64.394 -4.889 25852 9260 1 14 . 1 1 55 55 VAL CB C 55 30.174 30.174 31.996 -1.822 25852 9261 1 14 . 1 1 55 55 VAL H H 55 7.575 7.575 8.400 -0.825 25852 9262 1 14 . 1 1 56 56 ASP N N 56 121.771 121.771 120.262 1.509 25852 9263 1 14 . 1 1 56 56 ASP HA H 56 4.388 4.388 4.491 -0.103 25852 9264 1 14 . 1 1 56 56 ASP CA C 56 50.990 50.990 54.557 -3.567 25852 9265 1 14 . 1 1 56 56 ASP CB C 56 36.820 36.820 39.801 -2.981 25852 9266 1 14 . 1 1 56 56 ASP H H 56 8.401 8.401 7.869 0.532 25852 9267 1 14 . 1 1 57 57 ALA N N 57 124.771 124.771 120.825 3.946 25852 9268 1 14 . 1 1 57 57 ALA HA H 57 4.001 4.001 4.286 -0.285 25852 9269 1 14 . 1 1 57 57 ALA CA C 57 52.402 52.402 53.461 -1.059 25852 9270 1 14 . 1 1 57 57 ALA CB C 57 15.280 15.280 19.344 -4.064 25852 9271 1 14 . 1 1 57 57 ALA H H 57 8.097 8.097 7.981 0.116 25852 9272 1 14 . 1 1 58 58 ASP N N 58 114.518 114.518 118.735 -4.217 25852 9273 1 14 . 1 1 58 58 ASP HA H 58 4.400 4.400 4.690 -0.290 25852 9274 1 14 . 1 1 58 58 ASP CA C 58 50.798 50.798 54.261 -3.463 25852 9275 1 14 . 1 1 58 58 ASP CB C 58 36.934 36.934 42.318 -5.384 25852 9276 1 14 . 1 1 58 58 ASP H H 58 8.376 8.376 7.717 0.659 25852 9277 1 14 . 1 1 59 59 GLY N N 59 108.798 108.798 108.295 0.503 25852 9278 1 14 . 1 1 59 59 GLY CA C 59 44.490 44.490 45.561 -1.071 25852 9279 1 14 . 1 1 59 59 GLY H H 59 7.827 7.827 8.727 -0.900 25852 9280 1 14 . 1 1 60 60 ASN N N 60 119.696 119.696 118.287 1.409 25852 9281 1 14 . 1 1 60 60 ASN HA H 60 4.688 4.688 4.730 -0.042 25852 9282 1 14 . 1 1 60 60 ASN CA C 60 51.943 51.943 53.172 -1.229 25852 9283 1 14 . 1 1 60 60 ASN CB C 60 38.424 38.424 39.178 -0.754 25852 9284 1 14 . 1 1 60 60 ASN H H 60 9.253 9.253 8.296 0.957 25852 9285 1 14 . 1 1 61 61 GLY N N 61 110.108 110.108 109.069 1.039 25852 9286 1 14 . 1 1 61 61 GLY CA C 61 42.870 42.870 45.714 -2.844 25852 9287 1 14 . 1 1 61 61 GLY H H 61 10.004 10.004 8.747 1.257 25852 9288 1 14 . 1 1 62 62 THR N N 62 110.533 110.533 111.698 -1.165 25852 9289 1 14 . 1 1 62 62 THR HA H 62 4.629 4.629 4.951 -0.322 25852 9290 1 14 . 1 1 62 62 THR CA C 62 59.162 59.162 60.049 -0.887 25852 9291 1 14 . 1 1 62 62 THR CB C 62 67.526 67.526 73.042 -5.516 25852 9292 1 14 . 1 1 62 62 THR H H 62 7.481 7.481 7.363 0.118 25852 9293 1 14 . 1 1 63 63 ILE N N 63 118.533 118.533 122.255 -3.722 25852 9294 1 14 . 1 1 63 63 ILE HA H 63 3.783 3.783 4.345 -0.562 25852 9295 1 14 . 1 1 63 63 ILE CA C 63 60.537 60.537 59.928 0.609 25852 9296 1 14 . 1 1 63 63 ILE CB C 63 36.018 36.018 41.317 -5.299 25852 9297 1 14 . 1 1 63 63 ILE H H 63 8.820 8.820 9.033 -0.213 25852 9298 1 14 . 1 1 64 64 ASP N N 64 122.928 122.928 126.656 -3.728 25852 9299 1 14 . 1 1 64 64 ASP HA H 64 4.327 4.327 4.809 -0.482 25852 9300 1 14 . 1 1 64 64 ASP CA C 64 51.027 51.027 54.941 -3.914 25852 9301 1 14 . 1 1 64 64 ASP CB C 64 37.278 37.278 42.663 -5.385 25852 9302 1 14 . 1 1 64 64 ASP H H 64 8.380 8.380 8.696 -0.316 25852 9303 1 14 . 1 1 65 65 PHE N N 65 118.559 118.559 117.473 1.086 25852 9304 1 14 . 1 1 65 65 PHE HA H 65 3.880 3.880 5.059 -1.179 25852 9305 1 14 . 1 1 65 65 PHE CA C 65 56.870 56.870 60.144 -3.274 25852 9306 1 14 . 1 1 65 65 PHE CB C 65 33.497 33.497 36.221 -2.724 25852 9307 1 14 . 1 1 65 65 PHE H H 65 8.559 8.559 8.275 0.284 25852 9308 1 14 . 1 1 67 67 GLU N N 67 117.546 117.546 114.366 3.180 25852 9309 1 14 . 1 1 67 67 GLU HA H 67 3.904 3.904 4.338 -0.434 25852 9310 1 14 . 1 1 67 67 GLU CA C 67 56.870 56.870 57.087 -0.217 25852 9311 1 14 . 1 1 67 67 GLU CB C 67 26.623 26.623 29.140 -2.517 25852 9312 1 14 . 1 1 67 67 GLU H H 67 7.995 7.995 8.455 -0.460 25852 9313 1 14 . 1 1 68 68 PHE N N 68 122.032 122.032 121.621 0.411 25852 9314 1 14 . 1 1 68 68 PHE HA H 68 3.904 3.904 4.403 -0.499 25852 9315 1 14 . 1 1 68 68 PHE CA C 68 59.047 59.047 61.160 -2.113 25852 9316 1 14 . 1 1 68 68 PHE CB C 68 36.934 36.934 39.759 -2.825 25852 9317 1 14 . 1 1 68 68 PHE H H 68 8.377 8.377 7.503 0.874 25852 9318 1 14 . 1 1 69 69 LEU N N 69 118.488 118.488 118.721 -0.233 25852 9319 1 14 . 1 1 69 69 LEU HA H 69 3.179 3.179 3.875 -0.696 25852 9320 1 14 . 1 1 69 69 LEU CA C 69 55.158 55.158 58.733 -3.575 25852 9321 1 14 . 1 1 69 69 LEU CB C 69 38.195 38.195 41.597 -3.402 25852 9322 1 14 . 1 1 69 69 LEU H H 69 8.393 8.393 7.989 0.404 25852 9323 1 14 . 1 1 70 70 THR N N 70 115.208 115.208 114.853 0.355 25852 9324 1 14 . 1 1 70 70 THR HA H 70 3.638 3.638 3.929 -0.291 25852 9325 1 14 . 1 1 70 70 THR CA C 70 63.630 63.630 66.454 -2.824 25852 9326 1 14 . 1 1 70 70 THR CB C 70 65.578 65.578 68.281 -2.703 25852 9327 1 14 . 1 1 70 70 THR H H 70 7.658 7.658 8.236 -0.578 25852 9328 1 14 . 1 1 71 71 MET N N 71 121.221 121.221 119.956 1.265 25852 9329 1 14 . 1 1 71 71 MET HA H 71 3.892 3.892 4.141 -0.249 25852 9330 1 14 . 1 1 71 71 MET CA C 71 56.303 56.303 58.933 -2.630 25852 9331 1 14 . 1 1 71 71 MET CB C 71 29.831 29.831 32.079 -2.248 25852 9332 1 14 . 1 1 71 71 MET H H 71 7.653 7.653 7.113 0.540 25852 9333 1 14 . 1 1 72 72 MET N N 72 117.459 117.459 117.063 0.396 25852 9334 1 14 . 1 1 72 72 MET HA H 72 3.892 3.892 4.194 -0.302 25852 9335 1 14 . 1 1 72 72 MET CA C 72 53.777 53.777 57.723 -3.946 25852 9336 1 14 . 1 1 72 72 MET CB C 72 29.029 29.029 32.456 -3.427 25852 9337 1 14 . 1 1 72 72 MET H H 72 7.956 7.956 7.452 0.504 25852 9338 1 14 . 1 1 73 73 ALA N N 73 120.856 120.856 121.783 -0.927 25852 9339 1 14 . 1 1 73 73 ALA HA H 73 3.868 3.868 4.108 -0.240 25852 9340 1 14 . 1 1 73 73 ALA CA C 73 52.402 52.402 54.798 -2.396 25852 9341 1 14 . 1 1 73 73 ALA CB C 73 15.280 15.280 19.023 -3.743 25852 9342 1 14 . 1 1 73 73 ALA H H 73 8.230 8.230 8.249 -0.019 25852 9343 1 14 . 1 1 74 74 ARG N N 74 116.530 116.530 116.163 0.367 25852 9344 1 14 . 1 1 74 74 ARG HA H 74 3.892 3.892 4.184 -0.292 25852 9345 1 14 . 1 1 74 74 ARG CA C 74 56.297 56.297 58.263 -1.966 25852 9346 1 14 . 1 1 74 74 ARG CB C 74 27.997 27.997 29.808 -1.811 25852 9347 1 14 . 1 1 74 74 ARG H H 74 7.409 7.409 8.010 -0.601 25852 9348 1 14 . 1 1 75 75 LYS N N 75 118.008 118.008 119.189 -1.181 25852 9349 1 14 . 1 1 75 75 LYS HA H 75 3.965 3.965 4.157 -0.192 25852 9350 1 14 . 1 1 75 75 LYS CA C 75 55.495 55.495 58.534 -3.039 25852 9351 1 14 . 1 1 75 75 LYS CB C 75 26.279 26.279 32.654 -6.375 25852 9352 1 14 . 1 1 75 75 LYS H H 75 7.657 7.657 7.698 -0.041 25852 9353 1 14 . 1 1 76 76 MET N N 76 117.646 117.646 113.827 3.819 25852 9354 1 14 . 1 1 76 76 MET HA H 76 4.146 4.146 4.645 -0.499 25852 9355 1 14 . 1 1 76 76 MET CA C 76 53.947 53.947 56.542 -2.595 25852 9356 1 14 . 1 1 76 76 MET CB C 76 29.487 29.487 34.644 -5.157 25852 9357 1 14 . 1 1 76 76 MET H H 76 7.883 7.883 7.450 0.433 25852 9358 1 14 . 1 1 77 77 LYS N N 77 120.334 120.334 120.837 -0.503 25852 9359 1 14 . 1 1 77 77 LYS HA H 77 3.941 3.941 4.096 -0.155 25852 9360 1 14 . 1 1 77 77 LYS CA C 77 56.526 56.526 58.970 -2.444 25852 9361 1 14 . 1 1 77 77 LYS CB C 77 27.425 27.425 32.363 -4.938 25852 9362 1 14 . 1 1 77 77 LYS H H 77 7.658 7.658 8.185 -0.527 25852 9363 1 14 . 1 1 78 78 ASP N N 78 121.733 121.733 117.329 4.404 25852 9364 1 14 . 1 1 78 78 ASP HA H 78 4.194 4.194 4.676 -0.482 25852 9365 1 14 . 1 1 78 78 ASP CA C 78 52.516 52.516 56.185 -3.669 25852 9366 1 14 . 1 1 78 78 ASP CB C 78 40.028 40.028 41.119 -1.091 25852 9367 1 14 . 1 1 78 78 ASP H H 78 8.212 8.212 8.117 0.095 25852 9368 1 14 . 1 1 79 79 THR N N 79 114.651 114.651 115.306 -0.655 25852 9369 1 14 . 1 1 79 79 THR HA H 79 4.170 4.170 4.333 -0.163 25852 9370 1 14 . 1 1 79 79 THR CA C 79 59.391 59.391 61.938 -2.547 25852 9371 1 14 . 1 1 79 79 THR CB C 79 67.067 67.067 68.412 -1.345 25852 9372 1 14 . 1 1 79 79 THR H H 79 8.048 8.048 7.704 0.344 25852 9373 1 14 . 1 1 80 80 ASP N N 80 122.484 122.484 118.361 4.123 25852 9374 1 14 . 1 1 80 80 ASP HA H 80 4.363 4.363 4.364 -0.001 25852 9375 1 14 . 1 1 80 80 ASP CA C 80 50.850 50.850 55.428 -4.578 25852 9376 1 14 . 1 1 80 80 ASP CB C 80 36.705 36.705 41.317 -4.612 25852 9377 1 14 . 1 1 80 80 ASP H H 80 8.432 8.432 7.690 0.742 25852 9378 1 14 . 1 1 81 81 SER N N 81 117.135 117.135 117.823 -0.688 25852 9379 1 14 . 1 1 81 81 SER HA H 81 4.267 4.267 4.676 -0.409 25852 9380 1 14 . 1 1 81 81 SER CA C 81 56.870 56.870 60.055 -3.185 25852 9381 1 14 . 1 1 81 81 SER CB C 81 60.884 60.884 63.444 -2.560 25852 9382 1 14 . 1 1 81 81 SER H H 81 8.403 8.403 8.649 -0.246 25852 9383 1 14 . 1 1 82 82 GLU N N 82 121.723 121.723 121.372 0.351 25852 9384 1 14 . 1 1 82 82 GLU HA H 82 3.883 3.883 4.307 -0.424 25852 9385 1 14 . 1 1 82 82 GLU CA C 82 56.707 56.707 58.669 -1.962 25852 9386 1 14 . 1 1 82 82 GLU CB C 82 29.831 29.831 29.859 -0.028 25852 9387 1 14 . 1 1 82 82 GLU H H 82 8.443 8.443 8.299 0.144 25852 9388 1 14 . 1 1 83 83 GLU N N 83 119.259 119.259 119.158 0.101 25852 9389 1 14 . 1 1 83 83 GLU HA H 83 3.883 3.883 4.060 -0.177 25852 9390 1 14 . 1 1 83 83 GLU CA C 83 56.606 56.606 58.771 -2.165 25852 9391 1 14 . 1 1 83 83 GLU CB C 83 29.364 29.364 29.240 0.124 25852 9392 1 14 . 1 1 83 83 GLU H H 83 8.118 8.118 8.241 -0.123 25852 9393 1 14 . 1 1 84 84 GLU N N 84 118.060 118.060 118.211 -0.151 25852 9394 1 14 . 1 1 84 84 GLU HA H 84 3.871 3.871 4.395 -0.524 25852 9395 1 14 . 1 1 84 84 GLU CA C 84 56.606 56.606 58.752 -2.146 25852 9396 1 14 . 1 1 84 84 GLU CB C 84 25.817 25.817 29.519 -3.702 25852 9397 1 14 . 1 1 84 84 GLU H H 84 8.212 8.212 7.936 0.276 25852 9398 1 14 . 1 1 85 85 ILE N N 85 120.736 120.736 118.326 2.410 25852 9399 1 14 . 1 1 85 85 ILE HA H 85 3.678 3.678 4.123 -0.445 25852 9400 1 14 . 1 1 85 85 ILE CA C 85 62.484 62.484 63.912 -1.428 25852 9401 1 14 . 1 1 85 85 ILE CB C 85 35.445 35.445 38.572 -3.127 25852 9402 1 14 . 1 1 85 85 ILE H H 85 7.964 7.964 7.444 0.520 25852 9403 1 14 . 1 1 86 86 ARG N N 86 121.452 121.452 119.575 1.877 25852 9404 1 14 . 1 1 86 86 ARG HA H 86 3.989 3.989 3.967 0.022 25852 9405 1 14 . 1 1 86 86 ARG CA C 86 56.985 56.985 58.969 -1.984 25852 9406 1 14 . 1 1 86 86 ARG CB C 86 26.856 26.856 29.588 -2.732 25852 9407 1 14 . 1 1 86 86 ARG H H 86 8.351 8.351 7.793 0.558 25852 9408 1 14 . 1 1 87 87 GLU N N 87 118.288 118.288 119.048 -0.760 25852 9409 1 14 . 1 1 87 87 GLU HA H 87 3.861 3.861 4.251 -0.390 25852 9410 1 14 . 1 1 87 87 GLU CA C 87 56.606 56.606 58.667 -2.061 25852 9411 1 14 . 1 1 87 87 GLU CB C 87 25.817 25.817 29.232 -3.415 25852 9412 1 14 . 1 1 87 87 GLU H H 87 8.238 8.238 8.007 0.231 25852 9413 1 14 . 1 1 88 88 ALA N N 88 120.408 120.408 121.632 -1.224 25852 9414 1 14 . 1 1 88 88 ALA HA H 88 4.013 4.013 4.239 -0.226 25852 9415 1 14 . 1 1 88 88 ALA CA C 88 52.263 52.263 54.652 -2.389 25852 9416 1 14 . 1 1 88 88 ALA CB C 88 15.080 15.080 18.317 -3.237 25852 9417 1 14 . 1 1 88 88 ALA H H 88 7.960 7.960 8.254 -0.294 25852 9418 1 14 . 1 1 89 89 PHE N N 89 118.123 118.123 116.578 1.545 25852 9419 1 14 . 1 1 89 89 PHE HA H 89 3.058 3.058 4.497 -1.439 25852 9420 1 14 . 1 1 89 89 PHE CA C 89 59.703 59.703 60.453 -0.750 25852 9421 1 14 . 1 1 89 89 PHE CB C 89 36.774 36.774 38.963 -2.189 25852 9422 1 14 . 1 1 89 89 PHE H H 89 8.498 8.498 7.636 0.862 25852 9423 1 14 . 1 1 90 90 ARG N N 90 116.002 116.002 118.225 -2.223 25852 9424 1 14 . 1 1 90 90 ARG HA H 90 3.892 3.892 4.227 -0.335 25852 9425 1 14 . 1 1 90 90 ARG CA C 90 56.168 56.168 57.969 -1.801 25852 9426 1 14 . 1 1 90 90 ARG CB C 90 27.654 27.654 30.712 -3.058 25852 9427 1 14 . 1 1 90 90 ARG H H 90 7.860 7.860 7.694 0.166 25852 9428 1 14 . 1 1 91 91 VAL N N 91 118.008 118.008 119.511 -1.503 25852 9429 1 14 . 1 1 91 91 VAL HA H 91 3.243 3.243 3.753 -0.510 25852 9430 1 14 . 1 1 91 91 VAL CA C 91 63.357 63.357 65.867 -2.510 25852 9431 1 14 . 1 1 91 91 VAL CB C 91 28.444 28.444 32.414 -3.970 25852 9432 1 14 . 1 1 91 91 VAL H H 91 7.300 7.300 7.650 -0.350 25852 9433 1 14 . 1 1 92 92 PHE N N 92 113.024 113.024 115.038 -2.014 25852 9434 1 14 . 1 1 92 92 PHE HA H 92 3.967 3.967 4.380 -0.413 25852 9435 1 14 . 1 1 92 92 PHE CA C 92 57.558 57.558 59.557 -1.999 25852 9436 1 14 . 1 1 92 92 PHE CB C 92 38.838 38.838 40.950 -2.112 25852 9437 1 14 . 1 1 92 92 PHE H H 92 6.805 6.805 7.958 -1.153 25852 9438 1 14 . 1 1 93 93 ASP N N 93 116.393 116.393 119.339 -2.946 25852 9439 1 14 . 1 1 93 93 ASP HA H 93 4.496 4.496 4.415 0.081 25852 9440 1 14 . 1 1 93 93 ASP CA C 93 49.525 49.525 55.281 -5.756 25852 9441 1 14 . 1 1 93 93 ASP CB C 93 35.788 35.788 40.535 -4.747 25852 9442 1 14 . 1 1 93 93 ASP H H 93 8.018 8.018 7.898 0.120 25852 9443 1 14 . 1 1 94 94 LYS N N 94 125.158 125.158 123.950 1.208 25852 9444 1 14 . 1 1 94 94 LYS HA H 94 3.892 3.892 4.105 -0.213 25852 9445 1 14 . 1 1 94 94 LYS CA C 94 56.183 56.183 57.718 -1.535 25852 9446 1 14 . 1 1 94 94 LYS CB C 94 29.945 29.945 32.791 -2.846 25852 9447 1 14 . 1 1 94 94 LYS H H 94 7.721 7.721 7.916 -0.195 25852 9448 1 14 . 1 1 95 95 ASP N N 95 113.893 113.893 116.222 -2.329 25852 9449 1 14 . 1 1 95 95 ASP HA H 95 4.415 4.415 4.474 -0.059 25852 9450 1 14 . 1 1 95 95 ASP CA C 95 50.683 50.683 54.868 -4.185 25852 9451 1 14 . 1 1 95 95 ASP CB C 95 36.774 36.774 40.621 -3.847 25852 9452 1 14 . 1 1 95 95 ASP H H 95 8.156 8.156 8.130 0.026 25852 9453 1 14 . 1 1 96 96 GLY N N 96 108.799 108.799 107.412 1.387 25852 9454 1 14 . 1 1 96 96 GLY CA C 96 44.344 44.344 45.468 -1.125 25852 9455 1 14 . 1 1 96 96 GLY H H 96 7.717 7.717 8.061 -0.344 25852 9456 1 14 . 1 1 97 97 ASN N N 97 119.381 119.381 118.796 0.585 25852 9457 1 14 . 1 1 97 97 ASN HA H 97 4.500 4.500 4.793 -0.293 25852 9458 1 14 . 1 1 97 97 ASN CA C 97 49.916 49.916 53.359 -3.443 25852 9459 1 14 . 1 1 97 97 ASN CB C 97 35.183 35.183 39.608 -4.425 25852 9460 1 14 . 1 1 97 97 ASN H H 97 8.312 8.312 8.651 -0.339 25852 9461 1 14 . 1 1 98 98 GLY N N 98 112.330 112.330 107.040 5.290 25852 9462 1 14 . 1 1 98 98 GLY CA C 98 42.434 42.434 45.158 -2.724 25852 9463 1 14 . 1 1 98 98 GLY H H 98 10.555 10.555 8.005 2.550 25852 9464 1 14 . 1 1 99 99 TYR N N 99 116.075 116.075 120.121 -4.046 25852 9465 1 14 . 1 1 99 99 TYR HA H 99 4.871 4.871 5.070 -0.199 25852 9466 1 14 . 1 1 99 99 TYR CA C 99 53.582 53.582 56.369 -2.787 25852 9467 1 14 . 1 1 99 99 TYR CB C 99 39.981 39.981 39.007 0.974 25852 9468 1 14 . 1 1 99 99 TYR H H 99 7.650 7.650 7.493 0.157 25852 9469 1 14 . 1 1 100 100 ILE N N 100 126.834 126.834 126.764 0.070 25852 9470 1 14 . 1 1 100 100 ILE HA H 100 4.493 4.493 4.188 0.305 25852 9471 1 14 . 1 1 100 100 ILE CA C 100 58.616 58.616 61.482 -2.866 25852 9472 1 14 . 1 1 100 100 ILE CB C 100 35.903 35.903 37.120 -1.217 25852 9473 1 14 . 1 1 100 100 ILE H H 100 10.037 10.037 8.969 1.068 25852 9474 1 14 . 1 1 101 101 SER N N 101 123.486 123.486 123.171 0.315 25852 9475 1 14 . 1 1 101 101 SER HA H 101 4.738 4.738 4.559 0.179 25852 9476 1 14 . 1 1 101 101 SER CA C 101 52.897 52.897 57.647 -4.750 25852 9477 1 14 . 1 1 101 101 SER CB C 101 64.134 64.134 64.880 -0.746 25852 9478 1 14 . 1 1 101 101 SER H H 101 8.904 8.904 8.293 0.611 25852 9479 1 14 . 1 1 102 102 ALA N N 102 122.796 122.796 124.533 -1.737 25852 9480 1 14 . 1 1 102 102 ALA HA H 102 3.747 3.747 4.065 -0.318 25852 9481 1 14 . 1 1 102 102 ALA CA C 102 53.093 53.093 54.998 -1.905 25852 9482 1 14 . 1 1 102 102 ALA CB C 102 15.114 15.114 18.392 -3.278 25852 9483 1 14 . 1 1 102 102 ALA H H 102 9.246 9.246 8.531 0.715 25852 9484 1 14 . 1 1 103 103 ALA N N 103 118.362 118.362 118.398 -0.036 25852 9485 1 14 . 1 1 103 103 ALA HA H 103 3.861 3.861 4.198 -0.337 25852 9486 1 14 . 1 1 103 103 ALA CA C 103 52.409 52.409 53.841 -1.432 25852 9487 1 14 . 1 1 103 103 ALA CB C 103 15.456 15.456 18.641 -3.185 25852 9488 1 14 . 1 1 103 103 ALA H H 103 8.214 8.214 8.336 -0.122 25852 9489 1 14 . 1 1 104 104 GLU N N 104 120.187 120.187 120.158 0.029 25852 9490 1 14 . 1 1 104 104 GLU HA H 104 3.904 3.904 4.177 -0.273 25852 9491 1 14 . 1 1 104 104 GLU CA C 104 56.563 56.563 58.683 -2.120 25852 9492 1 14 . 1 1 104 104 GLU CB C 104 26.400 26.400 29.456 -3.056 25852 9493 1 14 . 1 1 104 104 GLU H H 104 7.864 7.864 7.663 0.201 25852 9494 1 14 . 1 1 105 105 LEU N N 105 121.050 121.050 120.515 0.535 25852 9495 1 14 . 1 1 105 105 LEU HA H 105 3.892 3.892 4.289 -0.397 25852 9496 1 14 . 1 1 105 105 LEU CA C 105 55.732 55.732 58.126 -2.394 25852 9497 1 14 . 1 1 105 105 LEU CB C 105 39.340 39.340 42.148 -2.808 25852 9498 1 14 . 1 1 105 105 LEU H H 105 8.341 8.341 8.845 -0.504 25852 9499 1 14 . 1 1 106 106 ARG N N 106 118.494 118.494 119.216 -0.722 25852 9500 1 14 . 1 1 106 106 ARG HA H 106 3.904 3.904 4.057 -0.153 25852 9501 1 14 . 1 1 106 106 ARG CA C 106 55.724 55.724 58.862 -3.138 25852 9502 1 14 . 1 1 106 106 ARG CB C 106 29.945 29.945 29.148 0.797 25852 9503 1 14 . 1 1 106 106 ARG H H 106 8.852 8.852 7.728 1.124 25852 9504 1 14 . 1 1 107 107 HIS N N 107 118.921 118.921 119.189 -0.268 25852 9505 1 14 . 1 1 107 107 HIS HA H 107 3.876 3.876 4.422 -0.546 25852 9506 1 14 . 1 1 107 107 HIS CA C 107 56.807 56.807 59.370 -2.563 25852 9507 1 14 . 1 1 107 107 HIS CB C 107 27.198 27.198 29.840 -2.642 25852 9508 1 14 . 1 1 107 107 HIS H H 107 8.045 8.045 8.562 -0.517 25852 9509 1 14 . 1 1 108 108 VAL N N 108 118.991 118.991 120.597 -1.606 25852 9510 1 14 . 1 1 108 108 VAL HA H 108 3.385 3.385 3.552 -0.167 25852 9511 1 14 . 1 1 108 108 VAL CA C 108 64.285 64.285 66.635 -2.350 25852 9512 1 14 . 1 1 108 108 VAL CB C 108 28.908 28.908 31.231 -2.323 25852 9513 1 14 . 1 1 108 108 VAL H H 108 7.766 7.766 8.560 -0.794 25852 9514 1 14 . 1 1 109 109 MET N N 109 115.789 115.789 119.377 -3.588 25852 9515 1 14 . 1 1 109 109 MET HA H 109 4.139 4.139 4.009 0.130 25852 9516 1 14 . 1 1 109 109 MET CA C 109 54.461 54.461 60.026 -5.565 25852 9517 1 14 . 1 1 109 109 MET CB C 109 29.706 29.706 32.369 -2.663 25852 9518 1 14 . 1 1 109 109 MET H H 109 8.333 8.333 8.611 -0.278 25852 9519 1 14 . 1 1 110 110 THR N N 110 116.700 116.700 113.034 3.666 25852 9520 1 14 . 1 1 110 110 THR HA H 110 3.935 3.935 4.139 -0.204 25852 9521 1 14 . 1 1 110 110 THR CA C 110 63.845 63.845 65.820 -1.975 25852 9522 1 14 . 1 1 110 110 THR CB C 110 66.072 66.072 68.085 -2.013 25852 9523 1 14 . 1 1 110 110 THR H H 110 8.603 8.603 8.376 0.227 25852 9524 1 14 . 1 1 111 111 ASN N N 111 123.354 123.354 118.778 4.576 25852 9525 1 14 . 1 1 111 111 ASN HA H 111 4.242 4.242 4.570 -0.328 25852 9526 1 14 . 1 1 111 111 ASN CA C 111 53.093 53.093 55.346 -2.253 25852 9527 1 14 . 1 1 111 111 ASN CB C 111 35.292 35.292 38.741 -3.449 25852 9528 1 14 . 1 1 111 111 ASN H H 111 7.991 7.991 7.526 0.465 25852 9529 1 14 . 1 1 112 112 LEU N N 112 118.291 118.291 117.748 0.543 25852 9530 1 14 . 1 1 112 112 LEU HA H 112 4.182 4.182 4.228 -0.046 25852 9531 1 14 . 1 1 112 112 LEU CA C 112 52.653 52.653 56.150 -3.497 25852 9532 1 14 . 1 1 112 112 LEU CB C 112 39.738 39.738 42.740 -3.002 25852 9533 1 14 . 1 1 112 112 LEU H H 112 7.754 7.754 7.982 -0.228 25852 9534 1 14 . 1 1 113 113 GLY N N 113 106.894 106.894 104.700 2.194 25852 9535 1 14 . 1 1 113 113 GLY CA C 113 42.536 42.536 44.566 -2.030 25852 9536 1 14 . 1 1 113 113 GLY H H 113 7.778 7.778 8.144 -0.366 25852 9537 1 14 . 1 1 114 114 GLU N N 114 119.776 119.776 121.356 -1.580 25852 9538 1 14 . 1 1 114 114 GLU HA H 114 4.267 4.267 4.494 -0.227 25852 9539 1 14 . 1 1 114 114 GLU CA C 114 52.067 52.067 55.214 -3.147 25852 9540 1 14 . 1 1 114 114 GLU CB C 114 26.616 26.616 32.244 -5.628 25852 9541 1 14 . 1 1 114 114 GLU H H 114 7.957 7.957 8.491 -0.534 25852 9542 1 14 . 1 1 115 115 LYS N N 115 124.429 124.429 121.116 3.313 25852 9543 1 14 . 1 1 115 115 LYS HA H 115 4.255 4.255 4.480 -0.225 25852 9544 1 14 . 1 1 115 115 LYS CA C 115 52.848 52.848 55.494 -2.646 25852 9545 1 14 . 1 1 115 115 LYS CB C 115 30.518 30.518 33.650 -3.132 25852 9546 1 14 . 1 1 115 115 LYS H H 115 8.591 8.591 8.388 0.203 25852 9547 1 14 . 1 1 116 116 LEU N N 116 124.724 124.724 126.136 -1.412 25852 9548 1 14 . 1 1 116 116 LEU HA H 116 4.690 4.690 4.855 -0.165 25852 9549 1 14 . 1 1 116 116 LEU CA C 116 51.089 51.089 54.189 -3.100 25852 9550 1 14 . 1 1 116 116 LEU CB C 116 42.588 42.588 44.957 -2.369 25852 9551 1 14 . 1 1 116 116 LEU H H 116 8.066 8.066 8.521 -0.455 25852 9552 1 14 . 1 1 117 117 THR N N 117 113.912 113.912 118.858 -4.946 25852 9553 1 14 . 1 1 117 117 THR HA H 117 4.302 4.302 4.316 -0.014 25852 9554 1 14 . 1 1 117 117 THR CA C 117 57.834 57.834 61.596 -3.762 25852 9555 1 14 . 1 1 117 117 THR CB C 117 68.580 68.580 70.550 -1.970 25852 9556 1 14 . 1 1 117 117 THR H H 117 9.165 9.165 8.923 0.242 25852 9557 1 14 . 1 1 118 118 ASP N N 118 120.787 120.787 120.365 0.422 25852 9558 1 14 . 1 1 118 118 ASP HA H 118 4.061 4.061 4.407 -0.346 25852 9559 1 14 . 1 1 118 118 ASP CA C 118 55.243 55.243 57.995 -2.752 25852 9560 1 14 . 1 1 118 118 ASP CB C 118 37.002 37.002 40.944 -3.942 25852 9561 1 14 . 1 1 118 118 ASP H H 118 8.860 8.860 8.778 0.082 25852 9562 1 14 . 1 1 119 119 GLU N N 119 119.091 119.091 115.616 3.475 25852 9563 1 14 . 1 1 119 119 GLU HA H 119 3.892 3.892 4.192 -0.300 25852 9564 1 14 . 1 1 119 119 GLU CA C 119 57.149 57.149 58.102 -0.953 25852 9565 1 14 . 1 1 119 119 GLU CB C 119 25.931 25.931 29.354 -3.423 25852 9566 1 14 . 1 1 119 119 GLU H H 119 8.618 8.618 8.369 0.249 25852 9567 1 14 . 1 1 120 120 GLU N N 120 120.037 120.037 116.478 3.559 25852 9568 1 14 . 1 1 120 120 GLU HA H 120 3.880 3.880 4.277 -0.397 25852 9569 1 14 . 1 1 120 120 GLU CA C 120 56.319 56.319 57.617 -1.298 25852 9570 1 14 . 1 1 120 120 GLU CB C 120 25.830 25.830 29.834 -4.003 25852 9571 1 14 . 1 1 120 120 GLU H H 120 7.659 7.659 8.152 -0.493 25852 9572 1 14 . 1 1 121 121 VAL N N 121 122.512 122.512 115.083 7.429 25852 9573 1 14 . 1 1 121 121 VAL HA H 121 3.385 3.385 4.060 -0.675 25852 9574 1 14 . 1 1 121 121 VAL CA C 121 64.090 64.090 63.113 0.977 25852 9575 1 14 . 1 1 121 121 VAL CB C 121 28.680 28.680 31.604 -2.924 25852 9576 1 14 . 1 1 121 121 VAL H H 121 7.887 7.887 7.294 0.593 25852 9577 1 14 . 1 1 122 122 ASP N N 122 119.993 119.993 120.458 -0.465 25852 9578 1 14 . 1 1 122 122 ASP HA H 122 4.157 4.157 4.551 -0.394 25852 9579 1 14 . 1 1 122 122 ASP CA C 122 54.901 54.901 56.333 -1.432 25852 9580 1 14 . 1 1 122 122 ASP CB C 122 37.572 37.572 39.551 -1.979 25852 9581 1 14 . 1 1 122 122 ASP H H 122 7.973 7.973 8.179 -0.206 25852 9582 1 14 . 1 1 123 123 GLU N N 123 119.521 119.521 116.239 3.282 25852 9583 1 14 . 1 1 123 123 GLU HA H 123 3.880 3.880 4.449 -0.569 25852 9584 1 14 . 1 1 123 123 GLU CA C 123 56.612 56.612 57.277 -0.665 25852 9585 1 14 . 1 1 123 123 GLU CB C 123 26.172 26.172 30.432 -4.260 25852 9586 1 14 . 1 1 123 123 GLU H H 123 7.903 7.903 8.239 -0.336 25852 9587 1 14 . 1 1 124 124 MET N N 124 118.961 118.961 120.599 -1.638 25852 9588 1 14 . 1 1 124 124 MET HA H 124 3.892 3.892 4.279 -0.387 25852 9589 1 14 . 1 1 124 124 MET CA C 124 56.905 56.905 58.443 -1.538 25852 9590 1 14 . 1 1 124 124 MET CB C 124 29.250 29.250 32.979 -3.729 25852 9591 1 14 . 1 1 124 124 MET H H 124 7.496 7.496 7.552 -0.056 25852 9592 1 14 . 1 1 125 125 ILE N N 125 117.801 117.801 118.240 -0.439 25852 9593 1 14 . 1 1 125 125 ILE HA H 125 3.409 3.409 3.876 -0.467 25852 9594 1 14 . 1 1 125 125 ILE CA C 125 60.131 60.131 64.311 -4.179 25852 9595 1 14 . 1 1 125 125 ILE CB C 125 33.240 33.240 38.418 -5.178 25852 9596 1 14 . 1 1 125 125 ILE H H 125 7.762 7.762 7.518 0.244 25852 9597 1 14 . 1 1 126 126 ARG N N 126 117.729 117.729 118.237 -0.508 25852 9598 1 14 . 1 1 126 126 ARG HA H 126 3.883 3.883 3.955 -0.072 25852 9599 1 14 . 1 1 126 126 ARG CA C 126 56.673 56.673 59.296 -2.623 25852 9600 1 14 . 1 1 126 126 ARG CB C 126 29.478 29.478 29.996 -0.518 25852 9601 1 14 . 1 1 126 126 ARG H H 126 8.055 8.055 8.652 -0.597 25852 9602 1 14 . 1 1 127 127 GLU N N 127 117.539 117.539 117.187 0.352 25852 9603 1 14 . 1 1 127 127 GLU HA H 127 3.861 3.861 4.123 -0.262 25852 9604 1 14 . 1 1 127 127 GLU CA C 127 56.319 56.319 58.462 -2.143 25852 9605 1 14 . 1 1 127 127 GLU CB C 127 26.286 26.286 29.249 -2.963 25852 9606 1 14 . 1 1 127 127 GLU H H 127 7.700 7.700 7.663 0.037 25852 9607 1 14 . 1 1 128 128 ALA N N 128 116.677 116.677 120.055 -3.378 25852 9608 1 14 . 1 1 128 128 ALA HA H 128 4.500 4.500 4.379 0.121 25852 9609 1 14 . 1 1 128 128 ALA CA C 128 48.205 48.205 51.742 -3.537 25852 9610 1 14 . 1 1 128 128 ALA CB C 128 19.633 19.633 20.578 -0.945 25852 9611 1 14 . 1 1 128 128 ALA H H 128 7.223 7.223 7.648 -0.425 25852 9612 1 14 . 1 1 129 129 ASP N N 129 118.030 118.030 119.324 -1.294 25852 9613 1 14 . 1 1 129 129 ASP HA H 129 4.460 4.460 4.848 -0.388 25852 9614 1 14 . 1 1 129 129 ASP CA C 129 51.485 51.485 56.268 -4.783 25852 9615 1 14 . 1 1 129 129 ASP CB C 129 38.195 38.195 41.219 -3.024 25852 9616 1 14 . 1 1 129 129 ASP H H 129 7.895 7.895 8.325 -0.430 25852 9617 1 14 . 1 1 130 130 ILE N N 130 127.693 127.693 126.360 1.333 25852 9618 1 14 . 1 1 130 130 ILE HA H 130 3.797 3.797 3.981 -0.184 25852 9619 1 14 . 1 1 130 130 ILE CA C 130 60.522 60.522 63.411 -2.889 25852 9620 1 14 . 1 1 130 130 ILE CB C 130 36.090 36.090 38.611 -2.521 25852 9621 1 14 . 1 1 130 130 ILE H H 130 8.148 8.148 9.052 -0.904 25852 9622 1 14 . 1 1 131 131 ASP N N 131 116.409 116.409 118.152 -1.743 25852 9623 1 14 . 1 1 131 131 ASP HA H 131 4.376 4.376 4.657 -0.281 25852 9624 1 14 . 1 1 131 131 ASP CA C 131 51.187 51.187 54.530 -3.343 25852 9625 1 14 . 1 1 131 131 ASP CB C 131 37.468 37.468 41.847 -4.379 25852 9626 1 14 . 1 1 131 131 ASP H H 131 8.288 8.288 8.071 0.217 25852 9627 1 14 . 1 1 132 132 GLY N N 132 108.363 108.363 108.280 0.083 25852 9628 1 14 . 1 1 132 132 GLY CA C 132 44.638 44.638 45.709 -1.071 25852 9629 1 14 . 1 1 132 132 GLY H H 132 7.630 7.630 7.882 -0.252 25852 9630 1 14 . 1 1 133 133 ASP N N 133 120.183 120.183 120.324 -0.141 25852 9631 1 14 . 1 1 133 133 ASP HA H 133 4.329 4.329 4.610 -0.281 25852 9632 1 14 . 1 1 133 133 ASP CA C 133 50.942 50.942 54.662 -3.720 25852 9633 1 14 . 1 1 133 133 ASP CB C 133 37.458 37.458 41.301 -3.843 25852 9634 1 14 . 1 1 133 133 ASP H H 133 8.298 8.298 8.468 -0.170 25852 9635 1 14 . 1 1 134 134 GLY N N 134 112.149 112.149 107.008 5.141 25852 9636 1 14 . 1 1 134 134 GLY CA C 134 43.122 43.122 44.905 -1.783 25852 9637 1 14 . 1 1 134 134 GLY H H 134 10.079 10.079 8.009 2.070 25852 9638 1 14 . 1 1 135 135 GLN N N 135 115.069 115.069 117.600 -2.531 25852 9639 1 14 . 1 1 135 135 GLN HA H 135 4.844 4.844 4.771 0.073 25852 9640 1 14 . 1 1 135 135 GLN CA C 135 50.454 50.454 54.523 -4.069 25852 9641 1 14 . 1 1 135 135 GLN CB C 135 30.614 30.614 32.559 -1.946 25852 9642 1 14 . 1 1 135 135 GLN H H 135 7.922 7.922 7.689 0.233 25852 9643 1 14 . 1 1 136 136 VAL N N 136 125.107 125.107 125.519 -0.412 25852 9644 1 14 . 1 1 136 136 VAL HA H 136 5.096 5.096 5.093 0.003 25852 9645 1 14 . 1 1 136 136 VAL CA C 136 58.713 58.713 61.453 -2.740 25852 9646 1 14 . 1 1 136 136 VAL CB C 136 31.416 31.416 33.069 -1.653 25852 9647 1 14 . 1 1 136 136 VAL H H 136 9.046 9.046 8.843 0.203 25852 9648 1 14 . 1 1 137 137 ASN N N 137 128.858 128.858 124.545 4.313 25852 9649 1 14 . 1 1 137 137 ASN HA H 137 5.226 5.226 5.169 0.057 25852 9650 1 14 . 1 1 137 137 ASN CA C 137 48.352 48.352 52.659 -4.307 25852 9651 1 14 . 1 1 137 137 ASN CB C 137 35.640 35.640 40.131 -4.491 25852 9652 1 14 . 1 1 137 137 ASN H H 137 9.458 9.458 9.239 0.219 25852 9653 1 14 . 1 1 138 138 TYR N N 138 118.481 118.481 121.484 -3.003 25852 9654 1 14 . 1 1 138 138 TYR HA H 138 3.603 3.603 4.636 -1.033 25852 9655 1 14 . 1 1 138 138 TYR CA C 138 59.669 59.669 61.855 -2.186 25852 9656 1 14 . 1 1 138 138 TYR CB C 138 37.572 37.572 38.663 -1.091 25852 9657 1 14 . 1 1 138 138 TYR H H 138 8.235 8.235 9.144 -0.909 25852 9658 1 14 . 1 1 139 139 GLU N N 139 118.474 118.474 118.841 -0.367 25852 9659 1 14 . 1 1 139 139 GLU HA H 139 3.868 3.868 3.582 0.286 25852 9660 1 14 . 1 1 139 139 GLU CA C 139 57.540 57.540 59.342 -1.802 25852 9661 1 14 . 1 1 139 139 GLU CB C 139 26.274 26.274 28.773 -2.499 25852 9662 1 14 . 1 1 139 139 GLU H H 139 8.067 8.067 9.042 -0.975 25852 9663 1 14 . 1 1 140 140 GLU N N 140 119.279 119.279 118.721 0.558 25852 9664 1 14 . 1 1 140 140 GLU HA H 140 3.880 3.880 4.219 -0.339 25852 9665 1 14 . 1 1 140 140 GLU CA C 140 56.025 56.025 58.468 -2.443 25852 9666 1 14 . 1 1 140 140 GLU CB C 140 26.274 26.274 29.735 -3.461 25852 9667 1 14 . 1 1 140 140 GLU H H 140 8.742 8.742 8.547 0.195 25852 9668 1 14 . 1 1 141 141 PHE N N 141 124.141 124.141 120.613 3.528 25852 9669 1 14 . 1 1 141 141 PHE HA H 141 3.602 3.602 4.247 -0.645 25852 9670 1 14 . 1 1 141 141 PHE CA C 141 59.447 59.447 60.337 -0.890 25852 9671 1 14 . 1 1 141 141 PHE CB C 141 37.686 37.686 39.327 -1.641 25852 9672 1 14 . 1 1 141 141 PHE H H 141 8.593 8.593 7.581 1.012 25852 9673 1 14 . 1 1 142 142 VAL N N 142 118.383 118.383 117.821 0.562 25852 9674 1 14 . 1 1 142 142 VAL HA H 142 2.986 2.986 3.567 -0.581 25852 9675 1 14 . 1 1 142 142 VAL CA C 142 64.432 64.432 65.410 -0.978 25852 9676 1 14 . 1 1 142 142 VAL CB C 142 28.908 28.908 31.810 -2.902 25852 9677 1 14 . 1 1 142 142 VAL H H 142 8.776 8.776 8.053 0.723 25852 9678 1 14 . 1 1 143 143 GLN N N 143 119.891 119.891 118.904 0.987 25852 9679 1 14 . 1 1 143 143 GLN HA H 143 3.671 3.671 4.002 -0.331 25852 9680 1 14 . 1 1 143 143 GLN CA C 143 56.514 56.514 58.270 -1.756 25852 9681 1 14 . 1 1 143 143 GLN CB C 143 25.246 25.246 28.623 -3.377 25852 9682 1 14 . 1 1 143 143 GLN H H 143 7.787 7.787 7.805 -0.018 25852 9683 1 14 . 1 1 144 144 MET N N 144 118.429 118.429 120.109 -1.680 25852 9684 1 14 . 1 1 144 144 MET HA H 144 3.892 3.892 4.131 -0.239 25852 9685 1 14 . 1 1 144 144 MET CA C 144 55.683 55.683 58.861 -3.178 25852 9686 1 14 . 1 1 144 144 MET CB C 144 28.110 28.110 32.372 -4.262 25852 9687 1 14 . 1 1 144 144 MET H H 144 7.450 7.450 7.667 -0.217 25852 9688 1 14 . 1 1 145 145 MET N N 145 114.145 114.145 116.728 -2.583 25852 9689 1 14 . 1 1 145 145 MET HA H 145 3.905 3.905 4.523 -0.618 25852 9690 1 14 . 1 1 145 145 MET CA C 145 53.630 53.630 57.149 -3.519 25852 9691 1 14 . 1 1 145 145 MET CB C 145 29.592 29.592 31.955 -2.363 25852 9692 1 14 . 1 1 145 145 MET H H 145 7.724 7.724 7.830 -0.106 25852 9693 1 14 . 1 1 146 146 THR N N 146 108.482 108.482 112.893 -4.411 25852 9694 1 14 . 1 1 146 146 THR HA H 146 4.170 4.170 4.430 -0.260 25852 9695 1 14 . 1 1 146 146 THR CA C 146 59.251 59.251 61.926 -2.675 25852 9696 1 14 . 1 1 146 146 THR CB C 146 67.896 67.896 69.618 -1.722 25852 9697 1 14 . 1 1 146 146 THR H H 146 7.700 7.700 7.382 0.318 25852 9698 1 14 . 1 1 147 147 ALA N N 147 126.469 126.469 125.628 0.841 25852 9699 1 14 . 1 1 147 147 ALA HA H 147 4.095 4.095 4.003 0.091 25852 9700 1 14 . 1 1 147 147 ALA CA C 147 50.307 50.307 54.066 -3.759 25852 9701 1 14 . 1 1 147 147 ALA CB C 147 16.336 16.336 18.949 -2.613 25852 9702 1 14 . 1 1 147 147 ALA H H 147 7.291 7.291 8.750 -1.459 25852 9703 1 15 . 1 1 3 3 GLN N N 3 118.120 118.120 118.108 0.012 25852 9704 1 15 . 1 1 3 3 GLN HA H 3 4.688 4.688 4.786 -0.098 25852 9705 1 15 . 1 1 3 3 GLN CA C 3 53.500 53.500 55.365 -1.865 25852 9706 1 15 . 1 1 3 3 GLN CB C 3 29.475 29.475 31.339 -1.864 25852 9707 1 15 . 1 1 3 3 GLN H H 3 8.134 8.134 7.910 0.224 25852 9708 1 15 . 1 1 4 4 LEU N N 4 121.407 121.407 120.140 1.267 25852 9709 1 15 . 1 1 4 4 LEU HA H 4 4.460 4.460 4.732 -0.272 25852 9710 1 15 . 1 1 4 4 LEU CA C 4 51.650 51.650 54.539 -2.889 25852 9711 1 15 . 1 1 4 4 LEU CB C 4 40.715 40.715 41.753 -1.038 25852 9712 1 15 . 1 1 4 4 LEU H H 4 8.202 8.202 8.302 -0.100 25852 9713 1 15 . 1 1 5 5 THR N N 5 112.733 112.733 109.387 3.346 25852 9714 1 15 . 1 1 5 5 THR HA H 5 4.265 4.265 4.518 -0.253 25852 9715 1 15 . 1 1 5 5 THR CA C 5 59.433 59.433 60.551 -1.118 25852 9716 1 15 . 1 1 5 5 THR CB C 5 67.475 67.475 70.165 -2.690 25852 9717 1 15 . 1 1 5 5 THR H H 5 8.691 8.691 7.757 0.934 25852 9718 1 15 . 1 1 6 6 GLU N N 6 119.971 119.971 119.852 0.119 25852 9719 1 15 . 1 1 6 6 GLU HA H 6 3.854 3.854 3.936 -0.082 25852 9720 1 15 . 1 1 6 6 GLU CA C 6 56.756 56.756 59.609 -2.853 25852 9721 1 15 . 1 1 6 6 GLU CB C 6 26.508 26.508 29.302 -2.794 25852 9722 1 15 . 1 1 6 6 GLU H H 6 8.953 8.953 8.858 0.095 25852 9723 1 15 . 1 1 7 7 GLU N N 7 119.133 119.133 118.250 0.883 25852 9724 1 15 . 1 1 7 7 GLU HA H 7 3.898 3.898 3.943 -0.045 25852 9725 1 15 . 1 1 7 7 GLU CA C 7 56.756 56.756 58.939 -2.183 25852 9726 1 15 . 1 1 7 7 GLU CB C 7 26.279 26.279 28.738 -2.459 25852 9727 1 15 . 1 1 7 7 GLU H H 7 8.653 8.653 8.398 0.255 25852 9728 1 15 . 1 1 8 8 GLN N N 8 120.207 120.207 119.502 0.705 25852 9729 1 15 . 1 1 8 8 GLN HA H 8 3.957 3.957 4.148 -0.191 25852 9730 1 15 . 1 1 8 8 GLN CA C 8 57.099 57.099 58.265 -1.166 25852 9731 1 15 . 1 1 8 8 GLN CB C 8 26.737 26.737 28.498 -1.761 25852 9732 1 15 . 1 1 8 8 GLN H H 8 7.645 7.645 7.734 -0.089 25852 9733 1 15 . 1 1 9 9 ILE N N 9 118.171 118.171 118.585 -0.414 25852 9734 1 15 . 1 1 9 9 ILE HA H 9 3.354 3.354 3.807 -0.453 25852 9735 1 15 . 1 1 9 9 ILE CA C 9 62.714 62.714 62.333 0.381 25852 9736 1 15 . 1 1 9 9 ILE CB C 9 35.216 35.216 36.633 -1.417 25852 9737 1 15 . 1 1 9 9 ILE H H 9 8.153 8.153 7.288 0.865 25852 9738 1 15 . 1 1 10 10 ALA N N 10 120.124 120.124 121.299 -1.175 25852 9739 1 15 . 1 1 10 10 ALA HA H 10 3.966 3.966 4.160 -0.194 25852 9740 1 15 . 1 1 10 10 ALA CA C 10 52.746 52.746 54.452 -1.706 25852 9741 1 15 . 1 1 10 10 ALA CB C 10 15.165 15.165 19.466 -4.301 25852 9742 1 15 . 1 1 10 10 ALA H H 10 7.835 7.835 8.516 -0.681 25852 9743 1 15 . 1 1 11 11 GLU N N 11 119.983 119.983 113.868 6.115 25852 9744 1 15 . 1 1 11 11 GLU HA H 11 3.904 3.904 4.777 -0.873 25852 9745 1 15 . 1 1 11 11 GLU CA C 11 56.560 56.560 56.508 0.052 25852 9746 1 15 . 1 1 11 11 GLU CB C 11 27.425 27.425 31.849 -4.424 25852 9747 1 15 . 1 1 11 11 GLU H H 11 7.706 7.706 7.774 -0.068 25852 9748 1 15 . 1 1 12 12 PHE N N 12 119.907 119.907 121.266 -1.359 25852 9749 1 15 . 1 1 12 12 PHE HA H 12 4.726 4.726 4.154 0.572 25852 9750 1 15 . 1 1 12 12 PHE CA C 12 55.839 55.839 61.221 -5.382 25852 9751 1 15 . 1 1 12 12 PHE CB C 12 33.955 33.955 39.034 -5.079 25852 9752 1 15 . 1 1 12 12 PHE H H 12 8.728 8.728 7.952 0.776 25852 9753 1 15 . 1 1 13 13 LYS N N 13 121.208 121.208 118.634 2.574 25852 9754 1 15 . 1 1 13 13 LYS HA H 13 3.904 3.904 3.932 -0.028 25852 9755 1 15 . 1 1 13 13 LYS CA C 13 57.290 57.290 58.910 -1.620 25852 9756 1 15 . 1 1 13 13 LYS CB C 13 30.174 30.174 32.547 -2.373 25852 9757 1 15 . 1 1 13 13 LYS H H 13 9.161 9.161 7.684 1.477 25852 9758 1 15 . 1 1 14 14 GLU N N 14 120.226 120.226 120.718 -0.492 25852 9759 1 15 . 1 1 14 14 GLU HA H 14 3.953 3.953 4.164 -0.211 25852 9760 1 15 . 1 1 14 14 GLU CA C 14 56.460 56.460 58.863 -2.403 25852 9761 1 15 . 1 1 14 14 GLU CB C 14 26.623 26.623 29.363 -2.740 25852 9762 1 15 . 1 1 14 14 GLU H H 14 7.980 7.980 7.519 0.461 25852 9763 1 15 . 1 1 15 15 ALA N N 15 120.572 120.572 121.827 -1.255 25852 9764 1 15 . 1 1 15 15 ALA HA H 15 4.170 4.170 4.139 0.031 25852 9765 1 15 . 1 1 15 15 ALA CA C 15 52.750 52.750 54.763 -2.013 25852 9766 1 15 . 1 1 15 15 ALA CB C 15 16.425 16.425 18.399 -1.974 25852 9767 1 15 . 1 1 15 15 ALA H H 15 7.563 7.563 8.433 -0.870 25852 9768 1 15 . 1 1 16 16 PHE N N 16 117.784 117.784 115.365 2.419 25852 9769 1 15 . 1 1 16 16 PHE HA H 16 3.904 3.904 4.481 -0.577 25852 9770 1 15 . 1 1 16 16 PHE CA C 16 59.540 59.540 58.861 0.680 25852 9771 1 15 . 1 1 16 16 PHE CB C 16 36.820 36.820 39.631 -2.811 25852 9772 1 15 . 1 1 16 16 PHE H H 16 8.453 8.453 7.537 0.916 25852 9773 1 15 . 1 1 17 17 SER N N 17 110.774 110.774 115.282 -4.508 25852 9774 1 15 . 1 1 17 17 SER HA H 17 4.086 4.086 4.617 -0.531 25852 9775 1 15 . 1 1 17 17 SER CA C 17 58.560 58.560 60.716 -2.156 25852 9776 1 15 . 1 1 17 17 SER CB C 17 60.651 60.651 63.591 -2.940 25852 9777 1 15 . 1 1 17 17 SER H H 17 8.351 8.351 8.234 0.117 25852 9778 1 15 . 1 1 18 18 LEU N N 18 120.947 120.947 121.316 -0.369 25852 9779 1 15 . 1 1 18 18 LEU HA H 18 3.614 3.614 4.091 -0.477 25852 9780 1 15 . 1 1 18 18 LEU CA C 18 55.839 55.839 57.668 -1.829 25852 9781 1 15 . 1 1 18 18 LEU CB C 18 39.111 39.111 42.675 -3.564 25852 9782 1 15 . 1 1 18 18 LEU H H 18 7.278 7.278 8.456 -1.178 25852 9783 1 15 . 1 1 19 19 PHE N N 19 114.458 114.458 113.399 1.059 25852 9784 1 15 . 1 1 19 19 PHE HA H 19 3.904 3.904 4.527 -0.623 25852 9785 1 15 . 1 1 19 19 PHE CA C 19 56.870 56.870 58.135 -1.265 25852 9786 1 15 . 1 1 19 19 PHE CB C 19 33.841 33.841 41.430 -7.589 25852 9787 1 15 . 1 1 19 19 PHE H H 19 7.304 7.304 7.611 -0.307 25852 9788 1 15 . 1 1 20 20 ASP N N 20 122.233 122.233 121.860 0.373 25852 9789 1 15 . 1 1 20 20 ASP HA H 20 4.874 4.874 4.839 0.035 25852 9790 1 15 . 1 1 20 20 ASP CA C 20 50.454 50.454 53.632 -3.178 25852 9791 1 15 . 1 1 20 20 ASP CB C 20 37.622 37.622 39.655 -2.033 25852 9792 1 15 . 1 1 20 20 ASP H H 20 7.233 7.233 8.170 -0.937 25852 9793 1 15 . 1 1 21 21 LYS N N 21 123.433 123.433 121.337 2.096 25852 9794 1 15 . 1 1 21 21 LYS HA H 21 3.771 3.771 4.206 -0.435 25852 9795 1 15 . 1 1 21 21 LYS CA C 21 56.025 56.025 57.989 -1.964 25852 9796 1 15 . 1 1 21 21 LYS CB C 21 29.601 29.601 32.452 -2.851 25852 9797 1 15 . 1 1 21 21 LYS H H 21 8.007 8.007 8.096 -0.089 25852 9798 1 15 . 1 1 22 22 ASP N N 22 116.890 116.890 118.920 -2.030 25852 9799 1 15 . 1 1 22 22 ASP HA H 22 4.400 4.400 4.589 -0.189 25852 9800 1 15 . 1 1 22 22 ASP CA C 22 50.683 50.683 54.432 -3.749 25852 9801 1 15 . 1 1 22 22 ASP CB C 22 37.049 37.049 41.172 -4.123 25852 9802 1 15 . 1 1 22 22 ASP H H 22 8.641 8.641 8.228 0.413 25852 9803 1 15 . 1 1 23 23 GLY N N 23 110.068 110.068 107.139 2.929 25852 9804 1 15 . 1 1 23 23 GLY CA C 23 43.745 43.745 45.275 -1.530 25852 9805 1 15 . 1 1 23 23 GLY H H 23 7.938 7.938 8.061 -0.123 25852 9806 1 15 . 1 1 24 24 ASP N N 24 120.219 120.219 119.801 0.418 25852 9807 1 15 . 1 1 24 24 ASP HA H 24 4.367 4.367 4.617 -0.250 25852 9808 1 15 . 1 1 24 24 ASP CA C 24 51.040 51.040 54.110 -3.070 25852 9809 1 15 . 1 1 24 24 ASP CB C 24 37.438 37.438 40.801 -3.363 25852 9810 1 15 . 1 1 24 24 ASP H H 24 8.723 8.723 8.047 0.676 25852 9811 1 15 . 1 1 25 25 GLY N N 25 111.889 111.889 109.262 2.627 25852 9812 1 15 . 1 1 25 25 GLY CA C 25 42.680 42.680 46.172 -3.492 25852 9813 1 15 . 1 1 25 25 GLY H H 25 10.132 10.132 8.495 1.637 25852 9814 1 15 . 1 1 26 26 THR N N 26 109.844 109.844 117.413 -7.569 25852 9815 1 15 . 1 1 26 26 THR HA H 26 5.386 5.386 4.443 0.943 25852 9816 1 15 . 1 1 26 26 THR CA C 26 56.950 56.950 61.176 -4.226 25852 9817 1 15 . 1 1 26 26 THR CB C 26 70.234 70.234 69.967 0.267 25852 9818 1 15 . 1 1 26 26 THR H H 26 7.507 7.507 7.939 -0.432 25852 9819 1 15 . 1 1 27 27 ILE N N 27 110.289 110.289 120.068 -9.779 25852 9820 1 15 . 1 1 27 27 ILE HA H 27 3.891 3.891 4.462 -0.571 25852 9821 1 15 . 1 1 27 27 ILE CA C 27 58.360 58.360 58.581 -0.221 25852 9822 1 15 . 1 1 27 27 ILE CB C 27 35.559 35.559 40.214 -4.655 25852 9823 1 15 . 1 1 27 27 ILE H H 27 8.191 8.191 7.649 0.542 25852 9824 1 15 . 1 1 28 28 THR N N 28 110.507 110.507 114.638 -4.131 25852 9825 1 15 . 1 1 28 28 THR HA H 28 4.895 4.895 4.476 0.419 25852 9826 1 15 . 1 1 28 28 THR CA C 28 57.787 57.787 62.200 -4.413 25852 9827 1 15 . 1 1 28 28 THR CB C 28 68.099 68.099 69.559 -1.460 25852 9828 1 15 . 1 1 28 28 THR H H 28 8.265 8.265 8.272 -0.007 25852 9829 1 15 . 1 1 29 29 THR N N 29 112.331 112.331 117.266 -4.935 25852 9830 1 15 . 1 1 29 29 THR HA H 29 3.941 3.941 3.939 0.002 25852 9831 1 15 . 1 1 29 29 THR CA C 29 63.840 63.840 65.781 -1.941 25852 9832 1 15 . 1 1 29 29 THR CB C 29 65.807 65.807 68.530 -2.723 25852 9833 1 15 . 1 1 29 29 THR H H 29 8.225 8.225 8.210 0.015 25852 9834 1 15 . 1 1 30 30 LYS N N 30 118.985 118.985 121.180 -2.195 25852 9835 1 15 . 1 1 30 30 LYS HA H 30 3.965 3.965 3.923 0.042 25852 9836 1 15 . 1 1 30 30 LYS CA C 30 55.839 55.839 59.277 -3.438 25852 9837 1 15 . 1 1 30 30 LYS CB C 30 29.372 29.372 32.050 -2.678 25852 9838 1 15 . 1 1 30 30 LYS H H 30 7.559 7.559 8.672 -1.113 25852 9839 1 15 . 1 1 31 31 GLU N N 31 117.233 117.233 114.178 3.055 25852 9840 1 15 . 1 1 31 31 GLU HA H 31 3.965 3.965 4.153 -0.188 25852 9841 1 15 . 1 1 31 31 GLU CA C 31 57.140 57.140 56.654 0.486 25852 9842 1 15 . 1 1 31 31 GLU CB C 31 26.393 26.393 30.396 -4.003 25852 9843 1 15 . 1 1 31 31 GLU H H 31 7.431 7.431 7.676 -0.245 25852 9844 1 15 . 1 1 32 32 LEU N N 32 120.701 120.701 122.897 -2.196 25852 9845 1 15 . 1 1 32 32 LEU HA H 32 3.880 3.880 3.821 0.059 25852 9846 1 15 . 1 1 32 32 LEU CA C 32 55.520 55.520 57.781 -2.261 25852 9847 1 15 . 1 1 32 32 LEU CB C 32 39.226 39.226 41.326 -2.100 25852 9848 1 15 . 1 1 32 32 LEU H H 32 7.270 7.270 7.560 -0.290 25852 9849 1 15 . 1 1 33 33 GLY N N 33 105.217 105.217 105.507 -0.290 25852 9850 1 15 . 1 1 33 33 GLY CA C 33 45.642 45.642 47.548 -1.906 25852 9851 1 15 . 1 1 33 33 GLY H H 33 8.737 8.737 8.023 0.714 25852 9852 1 15 . 1 1 34 34 THR N N 34 118.196 118.196 118.535 -0.339 25852 9853 1 15 . 1 1 34 34 THR HA H 34 3.916 3.916 4.136 -0.220 25852 9854 1 15 . 1 1 34 34 THR CA C 34 63.859 63.859 65.844 -1.985 25852 9855 1 15 . 1 1 34 34 THR CB C 34 65.807 65.807 68.666 -2.859 25852 9856 1 15 . 1 1 34 34 THR H H 34 7.446 7.446 7.374 0.072 25852 9857 1 15 . 1 1 35 35 VAL N N 35 122.546 122.546 121.551 0.995 25852 9858 1 15 . 1 1 35 35 VAL HA H 35 3.373 3.373 3.873 -0.500 25852 9859 1 15 . 1 1 35 35 VAL CA C 35 64.088 64.088 65.826 -1.738 25852 9860 1 15 . 1 1 35 35 VAL CB C 35 28.799 28.799 30.900 -2.101 25852 9861 1 15 . 1 1 35 35 VAL H H 35 7.889 7.889 7.413 0.476 25852 9862 1 15 . 1 1 36 36 MET N N 36 118.307 118.307 118.280 0.027 25852 9863 1 15 . 1 1 36 36 MET HA H 36 3.880 3.880 4.299 -0.419 25852 9864 1 15 . 1 1 36 36 MET CA C 36 56.870 56.870 56.978 -0.108 25852 9865 1 15 . 1 1 36 36 MET CB C 36 26.279 26.279 32.374 -6.095 25852 9866 1 15 . 1 1 36 36 MET H H 36 8.386 8.386 8.001 0.385 25852 9867 1 15 . 1 1 37 37 ARG N N 37 119.233 119.233 117.662 1.571 25852 9868 1 15 . 1 1 37 37 ARG HA H 37 3.904 3.904 4.283 -0.379 25852 9869 1 15 . 1 1 37 37 ARG CA C 37 56.170 56.170 59.091 -2.921 25852 9870 1 15 . 1 1 37 37 ARG CB C 37 27.310 27.310 30.038 -2.728 25852 9871 1 15 . 1 1 37 37 ARG H H 37 8.451 8.451 8.441 0.010 25852 9872 1 15 . 1 1 38 38 SER N N 38 118.720 118.720 115.698 3.022 25852 9873 1 15 . 1 1 38 38 SER HA H 38 4.176 4.176 4.317 -0.141 25852 9874 1 15 . 1 1 38 38 SER CA C 38 59.250 59.250 60.596 -1.346 25852 9875 1 15 . 1 1 38 38 SER CB C 38 67.411 67.411 62.742 4.669 25852 9876 1 15 . 1 1 38 38 SER H H 38 8.040 8.040 8.288 -0.248 25852 9877 1 15 . 1 1 39 39 LEU N N 39 120.896 120.896 119.723 1.173 25852 9878 1 15 . 1 1 39 39 LEU HA H 39 4.460 4.460 4.489 -0.029 25852 9879 1 15 . 1 1 39 39 LEU CA C 39 51.330 51.330 54.862 -3.532 25852 9880 1 15 . 1 1 39 39 LEU CB C 39 40.257 40.257 42.356 -2.099 25852 9881 1 15 . 1 1 39 39 LEU H H 39 7.263 7.263 7.379 -0.116 25852 9882 1 15 . 1 1 40 40 GLY N N 40 106.917 106.917 106.336 0.581 25852 9883 1 15 . 1 1 40 40 GLY CA C 40 42.880 42.880 44.611 -1.731 25852 9884 1 15 . 1 1 40 40 GLY H H 40 7.841 7.841 7.976 -0.135 25852 9885 1 15 . 1 1 41 41 GLN N N 41 117.171 117.171 118.925 -1.754 25852 9886 1 15 . 1 1 41 41 GLN HA H 41 4.243 4.243 4.193 0.050 25852 9887 1 15 . 1 1 41 41 GLN CA C 41 52.631 52.631 56.168 -3.537 25852 9888 1 15 . 1 1 41 41 GLN CB C 41 30.747 30.747 29.452 1.295 25852 9889 1 15 . 1 1 41 41 GLN H H 41 7.687 7.687 7.626 0.061 25852 9890 1 15 . 1 1 42 42 ASN N N 42 116.423 116.423 119.803 -3.380 25852 9891 1 15 . 1 1 42 42 ASN HA H 42 5.016 5.016 4.867 0.149 25852 9892 1 15 . 1 1 42 42 ASN CA C 42 48.640 48.640 51.770 -3.130 25852 9893 1 15 . 1 1 42 42 ASN CB C 42 36.591 36.591 39.461 -2.870 25852 9894 1 15 . 1 1 42 42 ASN H H 42 8.601 8.601 8.549 0.052 25852 9895 1 15 . 1 1 44 44 THR N N 44 113.033 113.033 119.271 -6.238 25852 9896 1 15 . 1 1 44 44 THR HA H 44 4.279 4.279 4.636 -0.357 25852 9897 1 15 . 1 1 44 44 THR CA C 44 57.640 57.640 59.811 -2.171 25852 9898 1 15 . 1 1 44 44 THR CB C 44 68.328 68.328 71.986 -3.658 25852 9899 1 15 . 1 1 44 44 THR H H 44 8.711 8.711 7.727 0.984 25852 9900 1 15 . 1 1 45 45 GLU N N 45 120.233 120.233 123.089 -2.856 25852 9901 1 15 . 1 1 45 45 GLU HA H 45 3.892 3.892 4.178 -0.286 25852 9902 1 15 . 1 1 45 45 GLU CA C 45 56.756 56.756 58.508 -1.752 25852 9903 1 15 . 1 1 45 45 GLU CB C 45 26.393 26.393 29.366 -2.973 25852 9904 1 15 . 1 1 45 45 GLU H H 45 8.781 8.781 8.965 -0.184 25852 9905 1 15 . 1 1 46 46 ALA N N 46 120.833 120.833 122.031 -1.198 25852 9906 1 15 . 1 1 46 46 ALA HA H 46 3.868 3.868 4.204 -0.336 25852 9907 1 15 . 1 1 46 46 ALA CA C 46 52.310 52.310 54.413 -2.103 25852 9908 1 15 . 1 1 46 46 ALA CB C 46 15.394 15.394 18.446 -3.052 25852 9909 1 15 . 1 1 46 46 ALA H H 46 8.251 8.251 8.090 0.161 25852 9910 1 15 . 1 1 47 47 GLU N N 47 118.672 118.672 118.321 0.351 25852 9911 1 15 . 1 1 47 47 GLU HA H 47 3.965 3.965 4.179 -0.214 25852 9912 1 15 . 1 1 47 47 GLU CA C 47 56.641 56.641 58.522 -1.881 25852 9913 1 15 . 1 1 47 47 GLU CB C 47 26.623 26.623 29.666 -3.042 25852 9914 1 15 . 1 1 47 47 GLU H H 47 7.668 7.668 8.430 -0.762 25852 9915 1 15 . 1 1 48 48 LEU N N 48 119.645 119.645 118.444 1.201 25852 9916 1 15 . 1 1 48 48 LEU HA H 48 3.892 3.892 4.107 -0.215 25852 9917 1 15 . 1 1 48 48 LEU CA C 48 55.610 55.610 57.593 -1.983 25852 9918 1 15 . 1 1 48 48 LEU CB C 48 39.340 39.340 41.597 -2.257 25852 9919 1 15 . 1 1 48 48 LEU H H 48 8.244 8.244 7.700 0.544 25852 9920 1 15 . 1 1 49 49 GLN N N 49 117.446 117.446 117.448 -0.002 25852 9921 1 15 . 1 1 49 49 GLN HA H 49 3.892 3.892 4.231 -0.339 25852 9922 1 15 . 1 1 49 49 GLN CA C 49 56.756 56.756 57.752 -0.996 25852 9923 1 15 . 1 1 49 49 GLN CB C 49 26.508 26.508 28.946 -2.438 25852 9924 1 15 . 1 1 49 49 GLN H H 49 7.980 7.980 7.845 0.135 25852 9925 1 15 . 1 1 50 50 ASP N N 50 118.733 118.733 120.157 -1.424 25852 9926 1 15 . 1 1 50 50 ASP HA H 50 4.267 4.267 4.589 -0.322 25852 9927 1 15 . 1 1 50 50 ASP CA C 50 54.700 54.700 56.909 -2.209 25852 9928 1 15 . 1 1 50 50 ASP CB C 50 37.622 37.622 41.146 -3.524 25852 9929 1 15 . 1 1 50 50 ASP H H 50 7.761 7.761 7.662 0.099 25852 9930 1 15 . 1 1 51 51 MET N N 51 118.996 118.996 118.428 0.568 25852 9931 1 15 . 1 1 51 51 MET HA H 51 3.892 3.892 4.430 -0.538 25852 9932 1 15 . 1 1 51 51 MET CA C 51 56.560 56.560 57.434 -0.874 25852 9933 1 15 . 1 1 51 51 MET CB C 51 29.601 29.601 32.847 -3.246 25852 9934 1 15 . 1 1 51 51 MET H H 51 7.900 7.900 8.479 -0.579 25852 9935 1 15 . 1 1 52 52 ILE N N 52 118.833 118.833 120.085 -1.252 25852 9936 1 15 . 1 1 52 52 ILE HA H 52 3.348 3.348 3.746 -0.398 25852 9937 1 15 . 1 1 52 52 ILE CA C 52 62.484 62.484 64.130 -1.647 25852 9938 1 15 . 1 1 52 52 ILE CB C 52 35.330 35.330 37.285 -1.955 25852 9939 1 15 . 1 1 52 52 ILE H H 52 8.261 8.261 7.495 0.766 25852 9940 1 15 . 1 1 53 53 ASN N N 53 117.296 117.296 116.774 0.522 25852 9941 1 15 . 1 1 53 53 ASN HA H 53 4.243 4.243 4.453 -0.210 25852 9942 1 15 . 1 1 53 53 ASN CA C 53 53.090 53.090 56.078 -2.988 25852 9943 1 15 . 1 1 53 53 ASN CB C 53 35.330 35.330 38.742 -3.412 25852 9944 1 15 . 1 1 53 53 ASN H H 53 8.186 8.186 8.484 -0.298 25852 9945 1 15 . 1 1 54 54 GLU N N 54 117.133 117.133 117.504 -0.371 25852 9946 1 15 . 1 1 54 54 GLU HA H 54 3.965 3.965 4.318 -0.353 25852 9947 1 15 . 1 1 54 54 GLU CA C 54 56.412 56.412 58.263 -1.851 25852 9948 1 15 . 1 1 54 54 GLU CB C 54 26.508 26.508 29.803 -3.295 25852 9949 1 15 . 1 1 54 54 GLU H H 54 7.501 7.501 7.552 -0.051 25852 9950 1 15 . 1 1 55 55 VAL N N 55 112.928 112.928 120.370 -7.442 25852 9951 1 15 . 1 1 55 55 VAL HA H 55 4.194 4.194 4.085 0.109 25852 9952 1 15 . 1 1 55 55 VAL CA C 55 59.505 59.505 66.015 -6.510 25852 9953 1 15 . 1 1 55 55 VAL CB C 55 30.174 30.174 32.112 -1.938 25852 9954 1 15 . 1 1 55 55 VAL H H 55 7.575 7.575 8.537 -0.962 25852 9955 1 15 . 1 1 56 56 ASP N N 56 121.771 121.771 119.402 2.369 25852 9956 1 15 . 1 1 56 56 ASP HA H 56 4.388 4.388 4.593 -0.205 25852 9957 1 15 . 1 1 56 56 ASP CA C 56 50.990 50.990 54.452 -3.462 25852 9958 1 15 . 1 1 56 56 ASP CB C 56 36.820 36.820 39.484 -2.664 25852 9959 1 15 . 1 1 56 56 ASP H H 56 8.401 8.401 7.955 0.446 25852 9960 1 15 . 1 1 57 57 ALA N N 57 124.771 124.771 121.090 3.681 25852 9961 1 15 . 1 1 57 57 ALA HA H 57 4.001 4.001 4.296 -0.295 25852 9962 1 15 . 1 1 57 57 ALA CA C 57 52.402 52.402 53.120 -0.718 25852 9963 1 15 . 1 1 57 57 ALA CB C 57 15.280 15.280 19.316 -4.036 25852 9964 1 15 . 1 1 57 57 ALA H H 57 8.097 8.097 7.925 0.172 25852 9965 1 15 . 1 1 58 58 ASP N N 58 114.518 114.518 119.200 -4.682 25852 9966 1 15 . 1 1 58 58 ASP HA H 58 4.400 4.400 4.580 -0.180 25852 9967 1 15 . 1 1 58 58 ASP CA C 58 50.798 50.798 54.540 -3.742 25852 9968 1 15 . 1 1 58 58 ASP CB C 58 36.934 36.934 42.266 -5.332 25852 9969 1 15 . 1 1 58 58 ASP H H 58 8.376 8.376 7.649 0.727 25852 9970 1 15 . 1 1 59 59 GLY N N 59 108.798 108.798 106.432 2.366 25852 9971 1 15 . 1 1 59 59 GLY CA C 59 44.490 44.490 45.775 -1.285 25852 9972 1 15 . 1 1 59 59 GLY H H 59 7.827 7.827 8.829 -1.002 25852 9973 1 15 . 1 1 60 60 ASN N N 60 119.696 119.696 117.533 2.163 25852 9974 1 15 . 1 1 60 60 ASN HA H 60 4.688 4.688 4.844 -0.156 25852 9975 1 15 . 1 1 60 60 ASN CA C 60 51.943 51.943 53.075 -1.132 25852 9976 1 15 . 1 1 60 60 ASN CB C 60 38.424 38.424 39.128 -0.704 25852 9977 1 15 . 1 1 60 60 ASN H H 60 9.253 9.253 8.444 0.809 25852 9978 1 15 . 1 1 61 61 GLY N N 61 110.108 110.108 107.855 2.253 25852 9979 1 15 . 1 1 61 61 GLY CA C 61 42.870 42.870 45.703 -2.833 25852 9980 1 15 . 1 1 61 61 GLY H H 61 10.004 10.004 8.761 1.243 25852 9981 1 15 . 1 1 62 62 THR N N 62 110.533 110.533 110.964 -0.431 25852 9982 1 15 . 1 1 62 62 THR HA H 62 4.629 4.629 5.181 -0.552 25852 9983 1 15 . 1 1 62 62 THR CA C 62 59.162 59.162 60.106 -0.944 25852 9984 1 15 . 1 1 62 62 THR CB C 62 67.526 67.526 73.022 -5.496 25852 9985 1 15 . 1 1 62 62 THR H H 62 7.481 7.481 7.546 -0.065 25852 9986 1 15 . 1 1 63 63 ILE N N 63 118.533 118.533 120.624 -2.091 25852 9987 1 15 . 1 1 63 63 ILE HA H 63 3.783 3.783 3.308 0.475 25852 9988 1 15 . 1 1 63 63 ILE CA C 63 60.537 60.537 59.865 0.672 25852 9989 1 15 . 1 1 63 63 ILE CB C 63 36.018 36.018 39.832 -3.814 25852 9990 1 15 . 1 1 63 63 ILE H H 63 8.820 8.820 8.011 0.809 25852 9991 1 15 . 1 1 64 64 ASP N N 64 122.928 122.928 127.891 -4.963 25852 9992 1 15 . 1 1 64 64 ASP HA H 64 4.327 4.327 5.119 -0.792 25852 9993 1 15 . 1 1 64 64 ASP CA C 64 51.027 51.027 54.417 -3.390 25852 9994 1 15 . 1 1 64 64 ASP CB C 64 37.278 37.278 44.068 -6.790 25852 9995 1 15 . 1 1 64 64 ASP H H 64 8.380 8.380 9.002 -0.622 25852 9996 1 15 . 1 1 65 65 PHE N N 65 118.559 118.559 118.698 -0.139 25852 9997 1 15 . 1 1 65 65 PHE HA H 65 3.880 3.880 5.084 -1.204 25852 9998 1 15 . 1 1 65 65 PHE CA C 65 56.870 56.870 61.417 -4.547 25852 9999 1 15 . 1 1 65 65 PHE CB C 65 33.497 33.497 36.265 -2.768 25852 10000 1 15 . 1 1 65 65 PHE H H 65 8.559 8.559 9.170 -0.611 25852 10001 1 15 . 1 1 67 67 GLU N N 67 117.546 117.546 115.203 2.343 25852 10002 1 15 . 1 1 67 67 GLU HA H 67 3.904 3.904 4.214 -0.310 25852 10003 1 15 . 1 1 67 67 GLU CA C 67 56.870 56.870 57.578 -0.708 25852 10004 1 15 . 1 1 67 67 GLU CB C 67 26.623 26.623 29.979 -3.356 25852 10005 1 15 . 1 1 67 67 GLU H H 67 7.995 7.995 8.229 -0.234 25852 10006 1 15 . 1 1 68 68 PHE N N 68 122.032 122.032 118.926 3.106 25852 10007 1 15 . 1 1 68 68 PHE HA H 68 3.904 3.904 4.369 -0.465 25852 10008 1 15 . 1 1 68 68 PHE CA C 68 59.047 59.047 61.602 -2.555 25852 10009 1 15 . 1 1 68 68 PHE CB C 68 36.934 36.934 39.720 -2.786 25852 10010 1 15 . 1 1 68 68 PHE H H 68 8.377 8.377 7.714 0.663 25852 10011 1 15 . 1 1 69 69 LEU N N 69 118.488 118.488 119.238 -0.750 25852 10012 1 15 . 1 1 69 69 LEU HA H 69 3.179 3.179 3.638 -0.459 25852 10013 1 15 . 1 1 69 69 LEU CA C 69 55.158 55.158 57.828 -2.670 25852 10014 1 15 . 1 1 69 69 LEU CB C 69 38.195 38.195 41.214 -3.019 25852 10015 1 15 . 1 1 69 69 LEU H H 69 8.393 8.393 7.323 1.070 25852 10016 1 15 . 1 1 70 70 THR N N 70 115.208 115.208 114.686 0.522 25852 10017 1 15 . 1 1 70 70 THR HA H 70 3.638 3.638 3.860 -0.222 25852 10018 1 15 . 1 1 70 70 THR CA C 70 63.630 63.630 66.681 -3.051 25852 10019 1 15 . 1 1 70 70 THR CB C 70 65.578 65.578 68.245 -2.667 25852 10020 1 15 . 1 1 70 70 THR H H 70 7.658 7.658 8.143 -0.485 25852 10021 1 15 . 1 1 71 71 MET N N 71 121.221 121.221 119.435 1.786 25852 10022 1 15 . 1 1 71 71 MET HA H 71 3.892 3.892 4.185 -0.293 25852 10023 1 15 . 1 1 71 71 MET CA C 71 56.303 56.303 58.719 -2.416 25852 10024 1 15 . 1 1 71 71 MET CB C 71 29.831 29.831 32.474 -2.643 25852 10025 1 15 . 1 1 71 71 MET H H 71 7.653 7.653 7.461 0.192 25852 10026 1 15 . 1 1 72 72 MET N N 72 117.459 117.459 116.969 0.490 25852 10027 1 15 . 1 1 72 72 MET HA H 72 3.892 3.892 4.399 -0.507 25852 10028 1 15 . 1 1 72 72 MET CA C 72 53.777 53.777 56.322 -2.545 25852 10029 1 15 . 1 1 72 72 MET CB C 72 29.029 29.029 31.694 -2.665 25852 10030 1 15 . 1 1 72 72 MET H H 72 7.956 7.956 7.568 0.388 25852 10031 1 15 . 1 1 73 73 ALA N N 73 120.856 120.856 122.156 -1.300 25852 10032 1 15 . 1 1 73 73 ALA HA H 73 3.868 3.868 4.233 -0.365 25852 10033 1 15 . 1 1 73 73 ALA CA C 73 52.402 52.402 54.531 -2.129 25852 10034 1 15 . 1 1 73 73 ALA CB C 73 15.280 15.280 18.946 -3.666 25852 10035 1 15 . 1 1 73 73 ALA H H 73 8.230 8.230 8.254 -0.024 25852 10036 1 15 . 1 1 74 74 ARG N N 74 116.530 116.530 117.000 -0.470 25852 10037 1 15 . 1 1 74 74 ARG HA H 74 3.892 3.892 4.352 -0.460 25852 10038 1 15 . 1 1 74 74 ARG CA C 74 56.297 56.297 58.264 -1.967 25852 10039 1 15 . 1 1 74 74 ARG CB C 74 27.997 27.997 30.174 -2.177 25852 10040 1 15 . 1 1 74 74 ARG H H 74 7.409 7.409 8.158 -0.749 25852 10041 1 15 . 1 1 75 75 LYS N N 75 118.008 118.008 119.274 -1.266 25852 10042 1 15 . 1 1 75 75 LYS HA H 75 3.965 3.965 4.276 -0.311 25852 10043 1 15 . 1 1 75 75 LYS CA C 75 55.495 55.495 58.595 -3.100 25852 10044 1 15 . 1 1 75 75 LYS CB C 75 26.279 26.279 32.234 -5.955 25852 10045 1 15 . 1 1 75 75 LYS H H 75 7.657 7.657 7.848 -0.191 25852 10046 1 15 . 1 1 76 76 MET N N 76 117.646 117.646 112.736 4.910 25852 10047 1 15 . 1 1 76 76 MET HA H 76 4.146 4.146 4.723 -0.577 25852 10048 1 15 . 1 1 76 76 MET CA C 76 53.947 53.947 56.821 -2.874 25852 10049 1 15 . 1 1 76 76 MET CB C 76 29.487 29.487 34.195 -4.708 25852 10050 1 15 . 1 1 76 76 MET H H 76 7.883 7.883 7.368 0.515 25852 10051 1 15 . 1 1 77 77 LYS N N 77 120.334 120.334 118.380 1.954 25852 10052 1 15 . 1 1 77 77 LYS HA H 77 3.941 3.941 4.165 -0.224 25852 10053 1 15 . 1 1 77 77 LYS CA C 77 56.526 56.526 58.297 -1.771 25852 10054 1 15 . 1 1 77 77 LYS CB C 77 27.425 27.425 32.844 -5.419 25852 10055 1 15 . 1 1 77 77 LYS H H 77 7.658 7.658 7.961 -0.303 25852 10056 1 15 . 1 1 78 78 ASP N N 78 121.733 121.733 117.301 4.432 25852 10057 1 15 . 1 1 78 78 ASP HA H 78 4.194 4.194 4.640 -0.446 25852 10058 1 15 . 1 1 78 78 ASP CA C 78 52.516 52.516 55.517 -3.001 25852 10059 1 15 . 1 1 78 78 ASP CB C 78 40.028 40.028 41.865 -1.837 25852 10060 1 15 . 1 1 78 78 ASP H H 78 8.212 8.212 7.735 0.477 25852 10061 1 15 . 1 1 79 79 THR N N 79 114.651 114.651 116.049 -1.398 25852 10062 1 15 . 1 1 79 79 THR HA H 79 4.170 4.170 4.118 0.052 25852 10063 1 15 . 1 1 79 79 THR CA C 79 59.391 59.391 62.736 -3.345 25852 10064 1 15 . 1 1 79 79 THR CB C 79 67.067 67.067 68.826 -1.759 25852 10065 1 15 . 1 1 79 79 THR H H 79 8.048 8.048 7.861 0.187 25852 10066 1 15 . 1 1 80 80 ASP N N 80 122.484 122.484 126.994 -4.510 25852 10067 1 15 . 1 1 80 80 ASP HA H 80 4.363 4.363 4.517 -0.154 25852 10068 1 15 . 1 1 80 80 ASP CA C 80 50.850 50.850 55.029 -4.179 25852 10069 1 15 . 1 1 80 80 ASP CB C 80 36.705 36.705 42.613 -5.908 25852 10070 1 15 . 1 1 80 80 ASP H H 80 8.432 8.432 8.168 0.264 25852 10071 1 15 . 1 1 81 81 SER N N 81 117.135 117.135 116.181 0.954 25852 10072 1 15 . 1 1 81 81 SER HA H 81 4.267 4.267 4.466 -0.199 25852 10073 1 15 . 1 1 81 81 SER CA C 81 56.870 56.870 60.287 -3.417 25852 10074 1 15 . 1 1 81 81 SER CB C 81 60.884 60.884 63.223 -2.339 25852 10075 1 15 . 1 1 81 81 SER H H 81 8.403 8.403 8.638 -0.235 25852 10076 1 15 . 1 1 82 82 GLU N N 82 121.723 121.723 120.866 0.857 25852 10077 1 15 . 1 1 82 82 GLU HA H 82 3.883 3.883 4.295 -0.412 25852 10078 1 15 . 1 1 82 82 GLU CA C 82 56.707 56.707 59.120 -2.413 25852 10079 1 15 . 1 1 82 82 GLU CB C 82 29.831 29.831 29.542 0.289 25852 10080 1 15 . 1 1 82 82 GLU H H 82 8.443 8.443 7.858 0.585 25852 10081 1 15 . 1 1 83 83 GLU N N 83 119.259 119.259 118.680 0.579 25852 10082 1 15 . 1 1 83 83 GLU HA H 83 3.883 3.883 4.171 -0.288 25852 10083 1 15 . 1 1 83 83 GLU CA C 83 56.606 56.606 58.872 -2.266 25852 10084 1 15 . 1 1 83 83 GLU CB C 83 29.364 29.364 29.308 0.056 25852 10085 1 15 . 1 1 83 83 GLU H H 83 8.118 8.118 8.653 -0.535 25852 10086 1 15 . 1 1 84 84 GLU N N 84 118.060 118.060 117.545 0.515 25852 10087 1 15 . 1 1 84 84 GLU HA H 84 3.871 3.871 4.374 -0.503 25852 10088 1 15 . 1 1 84 84 GLU CA C 84 56.606 56.606 58.327 -1.721 25852 10089 1 15 . 1 1 84 84 GLU CB C 84 25.817 25.817 29.658 -3.841 25852 10090 1 15 . 1 1 84 84 GLU H H 84 8.212 8.212 7.800 0.412 25852 10091 1 15 . 1 1 85 85 ILE N N 85 120.736 120.736 117.594 3.142 25852 10092 1 15 . 1 1 85 85 ILE HA H 85 3.678 3.678 4.117 -0.439 25852 10093 1 15 . 1 1 85 85 ILE CA C 85 62.484 62.484 64.604 -2.120 25852 10094 1 15 . 1 1 85 85 ILE CB C 85 35.445 35.445 38.543 -3.098 25852 10095 1 15 . 1 1 85 85 ILE H H 85 7.964 7.964 7.298 0.666 25852 10096 1 15 . 1 1 86 86 ARG N N 86 121.452 121.452 119.839 1.613 25852 10097 1 15 . 1 1 86 86 ARG HA H 86 3.989 3.989 4.298 -0.309 25852 10098 1 15 . 1 1 86 86 ARG CA C 86 56.985 56.985 59.276 -2.291 25852 10099 1 15 . 1 1 86 86 ARG CB C 86 26.856 26.856 29.457 -2.601 25852 10100 1 15 . 1 1 86 86 ARG H H 86 8.351 8.351 8.075 0.276 25852 10101 1 15 . 1 1 87 87 GLU N N 87 118.288 118.288 119.845 -1.557 25852 10102 1 15 . 1 1 87 87 GLU HA H 87 3.861 3.861 4.280 -0.419 25852 10103 1 15 . 1 1 87 87 GLU CA C 87 56.606 56.606 58.544 -1.938 25852 10104 1 15 . 1 1 87 87 GLU CB C 87 25.817 25.817 29.534 -3.717 25852 10105 1 15 . 1 1 87 87 GLU H H 87 8.238 8.238 7.886 0.352 25852 10106 1 15 . 1 1 88 88 ALA N N 88 120.408 120.408 122.391 -1.983 25852 10107 1 15 . 1 1 88 88 ALA HA H 88 4.013 4.013 4.194 -0.181 25852 10108 1 15 . 1 1 88 88 ALA CA C 88 52.263 52.263 54.983 -2.720 25852 10109 1 15 . 1 1 88 88 ALA CB C 88 15.080 15.080 18.488 -3.408 25852 10110 1 15 . 1 1 88 88 ALA H H 88 7.960 7.960 8.392 -0.432 25852 10111 1 15 . 1 1 89 89 PHE N N 89 118.123 118.123 116.612 1.511 25852 10112 1 15 . 1 1 89 89 PHE HA H 89 3.058 3.058 4.193 -1.135 25852 10113 1 15 . 1 1 89 89 PHE CA C 89 59.703 59.703 59.023 0.680 25852 10114 1 15 . 1 1 89 89 PHE CB C 89 36.774 36.774 39.081 -2.307 25852 10115 1 15 . 1 1 89 89 PHE H H 89 8.498 8.498 7.404 1.094 25852 10116 1 15 . 1 1 90 90 ARG N N 90 116.002 116.002 118.750 -2.748 25852 10117 1 15 . 1 1 90 90 ARG HA H 90 3.892 3.892 3.707 0.185 25852 10118 1 15 . 1 1 90 90 ARG CA C 90 56.168 56.168 57.274 -1.106 25852 10119 1 15 . 1 1 90 90 ARG CB C 90 27.654 27.654 30.172 -2.518 25852 10120 1 15 . 1 1 90 90 ARG H H 90 7.860 7.860 7.469 0.391 25852 10121 1 15 . 1 1 91 91 VAL N N 91 118.008 118.008 117.816 0.192 25852 10122 1 15 . 1 1 91 91 VAL HA H 91 3.243 3.243 3.929 -0.686 25852 10123 1 15 . 1 1 91 91 VAL CA C 91 63.357 63.357 65.261 -1.904 25852 10124 1 15 . 1 1 91 91 VAL CB C 91 28.444 28.444 32.426 -3.982 25852 10125 1 15 . 1 1 91 91 VAL H H 91 7.300 7.300 7.667 -0.367 25852 10126 1 15 . 1 1 92 92 PHE N N 92 113.024 113.024 115.388 -2.364 25852 10127 1 15 . 1 1 92 92 PHE HA H 92 3.967 3.967 4.358 -0.391 25852 10128 1 15 . 1 1 92 92 PHE CA C 92 57.558 57.558 58.645 -1.087 25852 10129 1 15 . 1 1 92 92 PHE CB C 92 38.838 38.838 40.417 -1.579 25852 10130 1 15 . 1 1 92 92 PHE H H 92 6.805 6.805 7.953 -1.148 25852 10131 1 15 . 1 1 93 93 ASP N N 93 116.393 116.393 120.034 -3.641 25852 10132 1 15 . 1 1 93 93 ASP HA H 93 4.496 4.496 4.409 0.087 25852 10133 1 15 . 1 1 93 93 ASP CA C 93 49.525 49.525 55.213 -5.688 25852 10134 1 15 . 1 1 93 93 ASP CB C 93 35.788 35.788 40.502 -4.714 25852 10135 1 15 . 1 1 93 93 ASP H H 93 8.018 8.018 7.655 0.363 25852 10136 1 15 . 1 1 94 94 LYS N N 94 125.158 125.158 124.211 0.947 25852 10137 1 15 . 1 1 94 94 LYS HA H 94 3.892 3.892 4.076 -0.184 25852 10138 1 15 . 1 1 94 94 LYS CA C 94 56.183 56.183 58.280 -2.097 25852 10139 1 15 . 1 1 94 94 LYS CB C 94 29.945 29.945 32.922 -2.977 25852 10140 1 15 . 1 1 94 94 LYS H H 94 7.721 7.721 7.877 -0.156 25852 10141 1 15 . 1 1 95 95 ASP N N 95 113.893 113.893 117.388 -3.495 25852 10142 1 15 . 1 1 95 95 ASP HA H 95 4.415 4.415 4.485 -0.070 25852 10143 1 15 . 1 1 95 95 ASP CA C 95 50.683 50.683 54.753 -4.070 25852 10144 1 15 . 1 1 95 95 ASP CB C 95 36.774 36.774 40.353 -3.579 25852 10145 1 15 . 1 1 95 95 ASP H H 95 8.156 8.156 8.285 -0.129 25852 10146 1 15 . 1 1 96 96 GLY N N 96 108.799 108.799 106.104 2.695 25852 10147 1 15 . 1 1 96 96 GLY CA C 96 44.344 44.344 46.240 -1.896 25852 10148 1 15 . 1 1 96 96 GLY H H 96 7.717 7.717 8.438 -0.721 25852 10149 1 15 . 1 1 97 97 ASN N N 97 119.381 119.381 118.091 1.290 25852 10150 1 15 . 1 1 97 97 ASN HA H 97 4.500 4.500 4.809 -0.309 25852 10151 1 15 . 1 1 97 97 ASN CA C 97 49.916 49.916 52.899 -2.983 25852 10152 1 15 . 1 1 97 97 ASN CB C 97 35.183 35.183 39.149 -3.966 25852 10153 1 15 . 1 1 97 97 ASN H H 97 8.312 8.312 8.208 0.104 25852 10154 1 15 . 1 1 98 98 GLY N N 98 112.330 112.330 106.595 5.735 25852 10155 1 15 . 1 1 98 98 GLY CA C 98 42.434 42.434 45.474 -3.040 25852 10156 1 15 . 1 1 98 98 GLY H H 98 10.555 10.555 8.001 2.554 25852 10157 1 15 . 1 1 99 99 TYR N N 99 116.075 116.075 119.807 -3.732 25852 10158 1 15 . 1 1 99 99 TYR HA H 99 4.871 4.871 4.762 0.109 25852 10159 1 15 . 1 1 99 99 TYR CA C 99 53.582 53.582 55.946 -2.364 25852 10160 1 15 . 1 1 99 99 TYR CB C 99 39.981 39.981 39.144 0.837 25852 10161 1 15 . 1 1 99 99 TYR H H 99 7.650 7.650 7.535 0.115 25852 10162 1 15 . 1 1 100 100 ILE N N 100 126.834 126.834 126.151 0.683 25852 10163 1 15 . 1 1 100 100 ILE HA H 100 4.493 4.493 4.231 0.262 25852 10164 1 15 . 1 1 100 100 ILE CA C 100 58.616 58.616 61.426 -2.810 25852 10165 1 15 . 1 1 100 100 ILE CB C 100 35.903 35.903 36.994 -1.091 25852 10166 1 15 . 1 1 100 100 ILE H H 100 10.037 10.037 8.680 1.357 25852 10167 1 15 . 1 1 101 101 SER N N 101 123.486 123.486 122.945 0.541 25852 10168 1 15 . 1 1 101 101 SER HA H 101 4.738 4.738 4.712 0.026 25852 10169 1 15 . 1 1 101 101 SER CA C 101 52.897 52.897 57.114 -4.217 25852 10170 1 15 . 1 1 101 101 SER CB C 101 64.134 64.134 64.599 -0.465 25852 10171 1 15 . 1 1 101 101 SER H H 101 8.904 8.904 8.065 0.839 25852 10172 1 15 . 1 1 102 102 ALA N N 102 122.796 122.796 123.354 -0.558 25852 10173 1 15 . 1 1 102 102 ALA HA H 102 3.747 3.747 4.077 -0.330 25852 10174 1 15 . 1 1 102 102 ALA CA C 102 53.093 53.093 54.833 -1.740 25852 10175 1 15 . 1 1 102 102 ALA CB C 102 15.114 15.114 18.290 -3.176 25852 10176 1 15 . 1 1 102 102 ALA H H 102 9.246 9.246 9.205 0.041 25852 10177 1 15 . 1 1 103 103 ALA N N 103 118.362 118.362 119.592 -1.230 25852 10178 1 15 . 1 1 103 103 ALA HA H 103 3.861 3.861 4.203 -0.342 25852 10179 1 15 . 1 1 103 103 ALA CA C 103 52.409 52.409 54.228 -1.819 25852 10180 1 15 . 1 1 103 103 ALA CB C 103 15.456 15.456 19.009 -3.553 25852 10181 1 15 . 1 1 103 103 ALA H H 103 8.214 8.214 8.394 -0.180 25852 10182 1 15 . 1 1 104 104 GLU N N 104 120.187 120.187 120.416 -0.229 25852 10183 1 15 . 1 1 104 104 GLU HA H 104 3.904 3.904 4.134 -0.230 25852 10184 1 15 . 1 1 104 104 GLU CA C 104 56.563 56.563 58.505 -1.942 25852 10185 1 15 . 1 1 104 104 GLU CB C 104 26.400 26.400 29.489 -3.089 25852 10186 1 15 . 1 1 104 104 GLU H H 104 7.864 7.864 7.795 0.069 25852 10187 1 15 . 1 1 105 105 LEU N N 105 121.050 121.050 120.366 0.684 25852 10188 1 15 . 1 1 105 105 LEU HA H 105 3.892 3.892 4.019 -0.127 25852 10189 1 15 . 1 1 105 105 LEU CA C 105 55.732 55.732 58.080 -2.348 25852 10190 1 15 . 1 1 105 105 LEU CB C 105 39.340 39.340 42.217 -2.877 25852 10191 1 15 . 1 1 105 105 LEU H H 105 8.341 8.341 8.823 -0.482 25852 10192 1 15 . 1 1 106 106 ARG N N 106 118.494 118.494 119.129 -0.635 25852 10193 1 15 . 1 1 106 106 ARG HA H 106 3.904 3.904 4.035 -0.131 25852 10194 1 15 . 1 1 106 106 ARG CA C 106 55.724 55.724 58.810 -3.086 25852 10195 1 15 . 1 1 106 106 ARG CB C 106 29.945 29.945 29.113 0.833 25852 10196 1 15 . 1 1 106 106 ARG H H 106 8.852 8.852 7.683 1.169 25852 10197 1 15 . 1 1 107 107 HIS N N 107 118.921 118.921 119.108 -0.187 25852 10198 1 15 . 1 1 107 107 HIS HA H 107 3.876 3.876 4.400 -0.524 25852 10199 1 15 . 1 1 107 107 HIS CA C 107 56.807 56.807 59.251 -2.444 25852 10200 1 15 . 1 1 107 107 HIS CB C 107 27.198 27.198 29.742 -2.544 25852 10201 1 15 . 1 1 107 107 HIS H H 107 8.045 8.045 8.382 -0.337 25852 10202 1 15 . 1 1 108 108 VAL N N 108 118.991 118.991 120.782 -1.791 25852 10203 1 15 . 1 1 108 108 VAL HA H 108 3.385 3.385 3.402 -0.017 25852 10204 1 15 . 1 1 108 108 VAL CA C 108 64.285 64.285 66.606 -2.321 25852 10205 1 15 . 1 1 108 108 VAL CB C 108 28.908 28.908 31.452 -2.544 25852 10206 1 15 . 1 1 108 108 VAL H H 108 7.766 7.766 8.649 -0.883 25852 10207 1 15 . 1 1 109 109 MET N N 109 115.789 115.789 119.192 -3.403 25852 10208 1 15 . 1 1 109 109 MET HA H 109 4.139 4.139 3.962 0.177 25852 10209 1 15 . 1 1 109 109 MET CA C 109 54.461 54.461 59.742 -5.281 25852 10210 1 15 . 1 1 109 109 MET CB C 109 29.706 29.706 32.424 -2.718 25852 10211 1 15 . 1 1 109 109 MET H H 109 8.333 8.333 8.498 -0.165 25852 10212 1 15 . 1 1 110 110 THR N N 110 116.700 116.700 113.211 3.489 25852 10213 1 15 . 1 1 110 110 THR HA H 110 3.935 3.935 4.168 -0.233 25852 10214 1 15 . 1 1 110 110 THR CA C 110 63.845 63.845 65.745 -1.900 25852 10215 1 15 . 1 1 110 110 THR CB C 110 66.072 66.072 68.188 -2.116 25852 10216 1 15 . 1 1 110 110 THR H H 110 8.603 8.603 8.292 0.311 25852 10217 1 15 . 1 1 111 111 ASN N N 111 123.354 123.354 118.983 4.371 25852 10218 1 15 . 1 1 111 111 ASN HA H 111 4.242 4.242 4.568 -0.326 25852 10219 1 15 . 1 1 111 111 ASN CA C 111 53.093 53.093 55.639 -2.546 25852 10220 1 15 . 1 1 111 111 ASN CB C 111 35.292 35.292 38.807 -3.515 25852 10221 1 15 . 1 1 111 111 ASN H H 111 7.991 7.991 7.333 0.658 25852 10222 1 15 . 1 1 112 112 LEU N N 112 118.291 118.291 116.230 2.061 25852 10223 1 15 . 1 1 112 112 LEU HA H 112 4.182 4.182 4.214 -0.032 25852 10224 1 15 . 1 1 112 112 LEU CA C 112 52.653 52.653 56.487 -3.834 25852 10225 1 15 . 1 1 112 112 LEU CB C 112 39.738 39.738 42.837 -3.099 25852 10226 1 15 . 1 1 112 112 LEU H H 112 7.754 7.754 7.955 -0.201 25852 10227 1 15 . 1 1 113 113 GLY N N 113 106.894 106.894 103.432 3.462 25852 10228 1 15 . 1 1 113 113 GLY CA C 113 42.536 42.536 44.467 -1.931 25852 10229 1 15 . 1 1 113 113 GLY H H 113 7.778 7.778 8.154 -0.376 25852 10230 1 15 . 1 1 114 114 GLU N N 114 119.776 119.776 121.354 -1.578 25852 10231 1 15 . 1 1 114 114 GLU HA H 114 4.267 4.267 4.487 -0.220 25852 10232 1 15 . 1 1 114 114 GLU CA C 114 52.067 52.067 55.202 -3.135 25852 10233 1 15 . 1 1 114 114 GLU CB C 114 26.616 26.616 32.205 -5.588 25852 10234 1 15 . 1 1 114 114 GLU H H 114 7.957 7.957 8.507 -0.550 25852 10235 1 15 . 1 1 115 115 LYS N N 115 124.429 124.429 121.208 3.221 25852 10236 1 15 . 1 1 115 115 LYS HA H 115 4.255 4.255 4.468 -0.213 25852 10237 1 15 . 1 1 115 115 LYS CA C 115 52.848 52.848 55.488 -2.640 25852 10238 1 15 . 1 1 115 115 LYS CB C 115 30.518 30.518 33.656 -3.138 25852 10239 1 15 . 1 1 115 115 LYS H H 115 8.591 8.591 8.380 0.211 25852 10240 1 15 . 1 1 116 116 LEU N N 116 124.724 124.724 125.073 -0.349 25852 10241 1 15 . 1 1 116 116 LEU HA H 116 4.690 4.690 4.825 -0.135 25852 10242 1 15 . 1 1 116 116 LEU CA C 116 51.089 51.089 54.084 -2.995 25852 10243 1 15 . 1 1 116 116 LEU CB C 116 42.588 42.588 44.866 -2.278 25852 10244 1 15 . 1 1 116 116 LEU H H 116 8.066 8.066 8.454 -0.388 25852 10245 1 15 . 1 1 117 117 THR N N 117 113.912 113.912 118.228 -4.316 25852 10246 1 15 . 1 1 117 117 THR HA H 117 4.302 4.302 4.366 -0.064 25852 10247 1 15 . 1 1 117 117 THR CA C 117 57.834 57.834 61.854 -4.020 25852 10248 1 15 . 1 1 117 117 THR CB C 117 68.580 68.580 70.681 -2.101 25852 10249 1 15 . 1 1 117 117 THR H H 117 9.165 9.165 8.918 0.247 25852 10250 1 15 . 1 1 118 118 ASP N N 118 120.787 120.787 120.648 0.139 25852 10251 1 15 . 1 1 118 118 ASP HA H 118 4.061 4.061 4.460 -0.399 25852 10252 1 15 . 1 1 118 118 ASP CA C 118 55.243 55.243 57.958 -2.715 25852 10253 1 15 . 1 1 118 118 ASP CB C 118 37.002 37.002 40.966 -3.964 25852 10254 1 15 . 1 1 118 118 ASP H H 118 8.860 8.860 8.786 0.074 25852 10255 1 15 . 1 1 119 119 GLU N N 119 119.091 119.091 117.856 1.235 25852 10256 1 15 . 1 1 119 119 GLU HA H 119 3.892 3.892 4.502 -0.610 25852 10257 1 15 . 1 1 119 119 GLU CA C 119 57.149 57.149 57.391 -0.242 25852 10258 1 15 . 1 1 119 119 GLU CB C 119 25.931 25.931 29.383 -3.452 25852 10259 1 15 . 1 1 119 119 GLU H H 119 8.618 8.618 8.572 0.046 25852 10260 1 15 . 1 1 120 120 GLU N N 120 120.037 120.037 117.582 2.455 25852 10261 1 15 . 1 1 120 120 GLU HA H 120 3.880 3.880 4.223 -0.343 25852 10262 1 15 . 1 1 120 120 GLU CA C 120 56.319 56.319 57.712 -1.393 25852 10263 1 15 . 1 1 120 120 GLU CB C 120 25.830 25.830 29.784 -3.954 25852 10264 1 15 . 1 1 120 120 GLU H H 120 7.659 7.659 8.439 -0.780 25852 10265 1 15 . 1 1 121 121 VAL N N 121 122.512 122.512 115.021 7.491 25852 10266 1 15 . 1 1 121 121 VAL HA H 121 3.385 3.385 4.086 -0.701 25852 10267 1 15 . 1 1 121 121 VAL CA C 121 64.090 64.090 63.655 0.435 25852 10268 1 15 . 1 1 121 121 VAL CB C 121 28.680 28.680 31.826 -3.146 25852 10269 1 15 . 1 1 121 121 VAL H H 121 7.887 7.887 7.366 0.521 25852 10270 1 15 . 1 1 122 122 ASP N N 122 119.993 119.993 120.561 -0.568 25852 10271 1 15 . 1 1 122 122 ASP HA H 122 4.157 4.157 4.467 -0.310 25852 10272 1 15 . 1 1 122 122 ASP CA C 122 54.901 54.901 55.514 -0.613 25852 10273 1 15 . 1 1 122 122 ASP CB C 122 37.572 37.572 39.155 -1.583 25852 10274 1 15 . 1 1 122 122 ASP H H 122 7.973 7.973 8.587 -0.614 25852 10275 1 15 . 1 1 123 123 GLU N N 123 119.521 119.521 114.593 4.928 25852 10276 1 15 . 1 1 123 123 GLU HA H 123 3.880 3.880 4.492 -0.612 25852 10277 1 15 . 1 1 123 123 GLU CA C 123 56.612 56.612 56.159 0.453 25852 10278 1 15 . 1 1 123 123 GLU CB C 123 26.172 26.172 30.352 -4.180 25852 10279 1 15 . 1 1 123 123 GLU H H 123 7.903 7.903 8.087 -0.184 25852 10280 1 15 . 1 1 124 124 MET N N 124 118.961 118.961 119.672 -0.711 25852 10281 1 15 . 1 1 124 124 MET HA H 124 3.892 3.892 4.420 -0.528 25852 10282 1 15 . 1 1 124 124 MET CA C 124 56.905 56.905 58.324 -1.419 25852 10283 1 15 . 1 1 124 124 MET CB C 124 29.250 29.250 33.716 -4.466 25852 10284 1 15 . 1 1 124 124 MET H H 124 7.496 7.496 7.946 -0.450 25852 10285 1 15 . 1 1 125 125 ILE N N 125 117.801 117.801 118.584 -0.783 25852 10286 1 15 . 1 1 125 125 ILE HA H 125 3.409 3.409 3.952 -0.543 25852 10287 1 15 . 1 1 125 125 ILE CA C 125 60.131 60.131 64.167 -4.036 25852 10288 1 15 . 1 1 125 125 ILE CB C 125 33.240 33.240 38.229 -4.989 25852 10289 1 15 . 1 1 125 125 ILE H H 125 7.762 7.762 7.498 0.264 25852 10290 1 15 . 1 1 126 126 ARG N N 126 117.729 117.729 118.660 -0.931 25852 10291 1 15 . 1 1 126 126 ARG HA H 126 3.883 3.883 4.031 -0.148 25852 10292 1 15 . 1 1 126 126 ARG CA C 126 56.673 56.673 59.624 -2.951 25852 10293 1 15 . 1 1 126 126 ARG CB C 126 29.478 29.478 29.909 -0.430 25852 10294 1 15 . 1 1 126 126 ARG H H 126 8.055 8.055 8.682 -0.627 25852 10295 1 15 . 1 1 127 127 GLU N N 127 117.539 117.539 115.782 1.757 25852 10296 1 15 . 1 1 127 127 GLU HA H 127 3.861 3.861 4.223 -0.362 25852 10297 1 15 . 1 1 127 127 GLU CA C 127 56.319 56.319 57.903 -1.584 25852 10298 1 15 . 1 1 127 127 GLU CB C 127 26.286 26.286 29.506 -3.220 25852 10299 1 15 . 1 1 127 127 GLU H H 127 7.700 7.700 8.208 -0.508 25852 10300 1 15 . 1 1 128 128 ALA N N 128 116.677 116.677 121.038 -4.361 25852 10301 1 15 . 1 1 128 128 ALA HA H 128 4.500 4.500 4.355 0.145 25852 10302 1 15 . 1 1 128 128 ALA CA C 128 48.205 48.205 52.472 -4.267 25852 10303 1 15 . 1 1 128 128 ALA CB C 128 19.633 19.633 20.609 -0.976 25852 10304 1 15 . 1 1 128 128 ALA H H 128 7.223 7.223 7.455 -0.232 25852 10305 1 15 . 1 1 129 129 ASP N N 129 118.030 118.030 119.296 -1.266 25852 10306 1 15 . 1 1 129 129 ASP HA H 129 4.460 4.460 4.786 -0.326 25852 10307 1 15 . 1 1 129 129 ASP CA C 129 51.485 51.485 56.027 -4.542 25852 10308 1 15 . 1 1 129 129 ASP CB C 129 38.195 38.195 40.856 -2.661 25852 10309 1 15 . 1 1 129 129 ASP H H 129 7.895 7.895 8.488 -0.593 25852 10310 1 15 . 1 1 130 130 ILE N N 130 127.693 127.693 126.279 1.414 25852 10311 1 15 . 1 1 130 130 ILE HA H 130 3.797 3.797 4.017 -0.220 25852 10312 1 15 . 1 1 130 130 ILE CA C 130 60.522 60.522 63.257 -2.735 25852 10313 1 15 . 1 1 130 130 ILE CB C 130 36.090 36.090 38.659 -2.569 25852 10314 1 15 . 1 1 130 130 ILE H H 130 8.148 8.148 8.720 -0.572 25852 10315 1 15 . 1 1 131 131 ASP N N 131 116.409 116.409 118.704 -2.295 25852 10316 1 15 . 1 1 131 131 ASP HA H 131 4.376 4.376 4.688 -0.312 25852 10317 1 15 . 1 1 131 131 ASP CA C 131 51.187 51.187 54.209 -3.022 25852 10318 1 15 . 1 1 131 131 ASP CB C 131 37.468 37.468 42.257 -4.789 25852 10319 1 15 . 1 1 131 131 ASP H H 131 8.288 8.288 7.913 0.375 25852 10320 1 15 . 1 1 132 132 GLY N N 132 108.363 108.363 108.607 -0.244 25852 10321 1 15 . 1 1 132 132 GLY CA C 132 44.638 44.638 45.684 -1.046 25852 10322 1 15 . 1 1 132 132 GLY H H 132 7.630 7.630 8.232 -0.602 25852 10323 1 15 . 1 1 133 133 ASP N N 133 120.183 120.183 120.427 -0.244 25852 10324 1 15 . 1 1 133 133 ASP HA H 133 4.329 4.329 4.583 -0.254 25852 10325 1 15 . 1 1 133 133 ASP CA C 133 50.942 50.942 54.782 -3.840 25852 10326 1 15 . 1 1 133 133 ASP CB C 133 37.458 37.458 41.707 -4.249 25852 10327 1 15 . 1 1 133 133 ASP H H 133 8.298 8.298 8.677 -0.379 25852 10328 1 15 . 1 1 134 134 GLY N N 134 112.149 112.149 109.187 2.962 25852 10329 1 15 . 1 1 134 134 GLY CA C 134 43.122 43.122 45.037 -1.915 25852 10330 1 15 . 1 1 134 134 GLY H H 134 10.079 10.079 8.309 1.770 25852 10331 1 15 . 1 1 135 135 GLN N N 135 115.069 115.069 117.911 -2.842 25852 10332 1 15 . 1 1 135 135 GLN HA H 135 4.844 4.844 4.592 0.252 25852 10333 1 15 . 1 1 135 135 GLN CA C 135 50.454 50.454 54.620 -4.166 25852 10334 1 15 . 1 1 135 135 GLN CB C 135 30.614 30.614 31.913 -1.299 25852 10335 1 15 . 1 1 135 135 GLN H H 135 7.922 7.922 7.688 0.234 25852 10336 1 15 . 1 1 136 136 VAL N N 136 125.107 125.107 127.169 -2.062 25852 10337 1 15 . 1 1 136 136 VAL HA H 136 5.096 5.096 4.757 0.339 25852 10338 1 15 . 1 1 136 136 VAL CA C 136 58.713 58.713 62.437 -3.724 25852 10339 1 15 . 1 1 136 136 VAL CB C 136 31.416 31.416 32.545 -1.129 25852 10340 1 15 . 1 1 136 136 VAL H H 136 9.046 9.046 8.733 0.313 25852 10341 1 15 . 1 1 137 137 ASN N N 137 128.858 128.858 126.343 2.515 25852 10342 1 15 . 1 1 137 137 ASN HA H 137 5.226 5.226 5.014 0.212 25852 10343 1 15 . 1 1 137 137 ASN CA C 137 48.352 48.352 52.245 -3.893 25852 10344 1 15 . 1 1 137 137 ASN CB C 137 35.640 35.640 39.391 -3.751 25852 10345 1 15 . 1 1 137 137 ASN H H 137 9.458 9.458 9.271 0.187 25852 10346 1 15 . 1 1 138 138 TYR N N 138 118.481 118.481 119.993 -1.512 25852 10347 1 15 . 1 1 138 138 TYR HA H 138 3.603 3.603 4.289 -0.686 25852 10348 1 15 . 1 1 138 138 TYR CA C 138 59.669 59.669 62.761 -3.092 25852 10349 1 15 . 1 1 138 138 TYR CB C 138 37.572 37.572 38.100 -0.528 25852 10350 1 15 . 1 1 138 138 TYR H H 138 8.235 8.235 9.130 -0.895 25852 10351 1 15 . 1 1 139 139 GLU N N 139 118.474 118.474 118.779 -0.305 25852 10352 1 15 . 1 1 139 139 GLU HA H 139 3.868 3.868 4.161 -0.293 25852 10353 1 15 . 1 1 139 139 GLU CA C 139 57.540 57.540 59.388 -1.848 25852 10354 1 15 . 1 1 139 139 GLU CB C 139 26.274 26.274 28.957 -2.683 25852 10355 1 15 . 1 1 139 139 GLU H H 139 8.067 8.067 9.049 -0.982 25852 10356 1 15 . 1 1 140 140 GLU N N 140 119.279 119.279 118.487 0.792 25852 10357 1 15 . 1 1 140 140 GLU HA H 140 3.880 3.880 4.286 -0.406 25852 10358 1 15 . 1 1 140 140 GLU CA C 140 56.025 56.025 58.273 -2.248 25852 10359 1 15 . 1 1 140 140 GLU CB C 140 26.274 26.274 29.803 -3.529 25852 10360 1 15 . 1 1 140 140 GLU H H 140 8.742 8.742 8.621 0.121 25852 10361 1 15 . 1 1 141 141 PHE N N 141 124.141 124.141 119.914 4.227 25852 10362 1 15 . 1 1 141 141 PHE HA H 141 3.602 3.602 4.257 -0.655 25852 10363 1 15 . 1 1 141 141 PHE CA C 141 59.447 59.447 60.242 -0.795 25852 10364 1 15 . 1 1 141 141 PHE CB C 141 37.686 37.686 39.488 -1.802 25852 10365 1 15 . 1 1 141 141 PHE H H 141 8.593 8.593 7.730 0.863 25852 10366 1 15 . 1 1 142 142 VAL N N 142 118.383 118.383 118.244 0.139 25852 10367 1 15 . 1 1 142 142 VAL HA H 142 2.986 2.986 3.781 -0.795 25852 10368 1 15 . 1 1 142 142 VAL CA C 142 64.432 64.432 65.411 -0.979 25852 10369 1 15 . 1 1 142 142 VAL CB C 142 28.908 28.908 32.015 -3.107 25852 10370 1 15 . 1 1 142 142 VAL H H 142 8.776 8.776 8.129 0.647 25852 10371 1 15 . 1 1 143 143 GLN N N 143 119.891 119.891 119.959 -0.068 25852 10372 1 15 . 1 1 143 143 GLN HA H 143 3.671 3.671 3.987 -0.316 25852 10373 1 15 . 1 1 143 143 GLN CA C 143 56.514 56.514 58.886 -2.372 25852 10374 1 15 . 1 1 143 143 GLN CB C 143 25.246 25.246 28.604 -3.358 25852 10375 1 15 . 1 1 143 143 GLN H H 143 7.787 7.787 7.824 -0.037 25852 10376 1 15 . 1 1 144 144 MET N N 144 118.429 118.429 115.820 2.609 25852 10377 1 15 . 1 1 144 144 MET HA H 144 3.892 3.892 4.113 -0.221 25852 10378 1 15 . 1 1 144 144 MET CA C 144 55.683 55.683 58.707 -3.024 25852 10379 1 15 . 1 1 144 144 MET CB C 144 28.110 28.110 31.911 -3.801 25852 10380 1 15 . 1 1 144 144 MET H H 144 7.450 7.450 7.838 -0.388 25852 10381 1 15 . 1 1 145 145 MET N N 145 114.145 114.145 117.070 -2.925 25852 10382 1 15 . 1 1 145 145 MET HA H 145 3.905 3.905 4.359 -0.454 25852 10383 1 15 . 1 1 145 145 MET CA C 145 53.630 53.630 57.312 -3.682 25852 10384 1 15 . 1 1 145 145 MET CB C 145 29.592 29.592 32.550 -2.958 25852 10385 1 15 . 1 1 145 145 MET H H 145 7.724 7.724 8.082 -0.358 25852 10386 1 15 . 1 1 146 146 THR N N 146 108.482 108.482 110.182 -1.700 25852 10387 1 15 . 1 1 146 146 THR HA H 146 4.170 4.170 4.429 -0.259 25852 10388 1 15 . 1 1 146 146 THR CA C 146 59.251 59.251 62.174 -2.923 25852 10389 1 15 . 1 1 146 146 THR CB C 146 67.896 67.896 70.079 -2.183 25852 10390 1 15 . 1 1 146 146 THR H H 146 7.700 7.700 7.538 0.162 25852 10391 1 15 . 1 1 147 147 ALA N N 147 126.469 126.469 125.002 1.467 25852 10392 1 15 . 1 1 147 147 ALA HA H 147 4.095 4.095 4.078 0.017 25852 10393 1 15 . 1 1 147 147 ALA CA C 147 50.307 50.307 54.073 -3.766 25852 10394 1 15 . 1 1 147 147 ALA CB C 147 16.336 16.336 19.123 -2.787 25852 10395 1 15 . 1 1 147 147 ALA H H 147 7.291 7.291 8.844 -1.553 25852 10396 1 16 . 1 1 3 3 GLN N N 3 118.120 118.120 120.597 -2.477 25852 10397 1 16 . 1 1 3 3 GLN HA H 3 4.688 4.688 4.702 -0.014 25852 10398 1 16 . 1 1 3 3 GLN CA C 3 53.500 53.500 55.113 -1.613 25852 10399 1 16 . 1 1 3 3 GLN CB C 3 29.475 29.475 29.588 -0.113 25852 10400 1 16 . 1 1 3 3 GLN H H 3 8.134 8.134 8.332 -0.198 25852 10401 1 16 . 1 1 4 4 LEU N N 4 121.407 121.407 122.318 -0.911 25852 10402 1 16 . 1 1 4 4 LEU HA H 4 4.460 4.460 4.655 -0.195 25852 10403 1 16 . 1 1 4 4 LEU CA C 4 51.650 51.650 53.985 -2.335 25852 10404 1 16 . 1 1 4 4 LEU CB C 4 40.715 40.715 41.988 -1.273 25852 10405 1 16 . 1 1 4 4 LEU H H 4 8.202 8.202 8.230 -0.028 25852 10406 1 16 . 1 1 5 5 THR N N 5 112.733 112.733 109.417 3.316 25852 10407 1 16 . 1 1 5 5 THR HA H 5 4.265 4.265 4.556 -0.291 25852 10408 1 16 . 1 1 5 5 THR CA C 5 59.433 59.433 60.178 -0.745 25852 10409 1 16 . 1 1 5 5 THR CB C 5 67.475 67.475 70.487 -3.012 25852 10410 1 16 . 1 1 5 5 THR H H 5 8.691 8.691 7.694 0.997 25852 10411 1 16 . 1 1 6 6 GLU N N 6 119.971 119.971 119.696 0.275 25852 10412 1 16 . 1 1 6 6 GLU HA H 6 3.854 3.854 3.919 -0.065 25852 10413 1 16 . 1 1 6 6 GLU CA C 6 56.756 56.756 59.624 -2.868 25852 10414 1 16 . 1 1 6 6 GLU CB C 6 26.508 26.508 29.266 -2.758 25852 10415 1 16 . 1 1 6 6 GLU H H 6 8.953 8.953 8.873 0.080 25852 10416 1 16 . 1 1 7 7 GLU N N 7 119.133 119.133 117.838 1.295 25852 10417 1 16 . 1 1 7 7 GLU HA H 7 3.898 3.898 3.985 -0.087 25852 10418 1 16 . 1 1 7 7 GLU CA C 7 56.756 56.756 58.820 -2.064 25852 10419 1 16 . 1 1 7 7 GLU CB C 7 26.279 26.279 28.810 -2.531 25852 10420 1 16 . 1 1 7 7 GLU H H 7 8.653 8.653 8.409 0.244 25852 10421 1 16 . 1 1 8 8 GLN N N 8 120.207 120.207 119.343 0.864 25852 10422 1 16 . 1 1 8 8 GLN HA H 8 3.957 3.957 4.207 -0.250 25852 10423 1 16 . 1 1 8 8 GLN CA C 8 57.099 57.099 58.744 -1.645 25852 10424 1 16 . 1 1 8 8 GLN CB C 8 26.737 26.737 28.884 -2.147 25852 10425 1 16 . 1 1 8 8 GLN H H 8 7.645 7.645 7.741 -0.096 25852 10426 1 16 . 1 1 9 9 ILE N N 9 118.171 118.171 119.908 -1.737 25852 10427 1 16 . 1 1 9 9 ILE HA H 9 3.354 3.354 3.659 -0.305 25852 10428 1 16 . 1 1 9 9 ILE CA C 9 62.714 62.714 62.707 0.007 25852 10429 1 16 . 1 1 9 9 ILE CB C 9 35.216 35.216 36.539 -1.323 25852 10430 1 16 . 1 1 9 9 ILE H H 9 8.153 8.153 7.428 0.725 25852 10431 1 16 . 1 1 10 10 ALA N N 10 120.124 120.124 120.595 -0.471 25852 10432 1 16 . 1 1 10 10 ALA HA H 10 3.966 3.966 4.275 -0.309 25852 10433 1 16 . 1 1 10 10 ALA CA C 10 52.746 52.746 54.621 -1.875 25852 10434 1 16 . 1 1 10 10 ALA CB C 10 15.165 15.165 19.078 -3.913 25852 10435 1 16 . 1 1 10 10 ALA H H 10 7.835 7.835 8.365 -0.530 25852 10436 1 16 . 1 1 11 11 GLU N N 11 119.983 119.983 116.494 3.489 25852 10437 1 16 . 1 1 11 11 GLU HA H 11 3.904 3.904 4.895 -0.991 25852 10438 1 16 . 1 1 11 11 GLU CA C 11 56.560 56.560 57.068 -0.508 25852 10439 1 16 . 1 1 11 11 GLU CB C 11 27.425 27.425 31.288 -3.863 25852 10440 1 16 . 1 1 11 11 GLU H H 11 7.706 7.706 7.817 -0.111 25852 10441 1 16 . 1 1 12 12 PHE N N 12 119.907 119.907 120.044 -0.137 25852 10442 1 16 . 1 1 12 12 PHE HA H 12 4.726 4.726 4.668 0.058 25852 10443 1 16 . 1 1 12 12 PHE CA C 12 55.839 55.839 59.316 -3.477 25852 10444 1 16 . 1 1 12 12 PHE CB C 12 33.955 33.955 38.962 -5.007 25852 10445 1 16 . 1 1 12 12 PHE H H 12 8.728 8.728 9.026 -0.298 25852 10446 1 16 . 1 1 13 13 LYS N N 13 121.208 121.208 120.060 1.148 25852 10447 1 16 . 1 1 13 13 LYS HA H 13 3.904 3.904 3.701 0.203 25852 10448 1 16 . 1 1 13 13 LYS CA C 13 57.290 57.290 58.824 -1.534 25852 10449 1 16 . 1 1 13 13 LYS CB C 13 30.174 30.174 32.469 -2.295 25852 10450 1 16 . 1 1 13 13 LYS H H 13 9.161 9.161 8.238 0.923 25852 10451 1 16 . 1 1 14 14 GLU N N 14 120.226 120.226 120.549 -0.323 25852 10452 1 16 . 1 1 14 14 GLU HA H 14 3.953 3.953 4.172 -0.219 25852 10453 1 16 . 1 1 14 14 GLU CA C 14 56.460 56.460 58.574 -2.114 25852 10454 1 16 . 1 1 14 14 GLU CB C 14 26.623 26.623 29.457 -2.834 25852 10455 1 16 . 1 1 14 14 GLU H H 14 7.980 7.980 8.033 -0.053 25852 10456 1 16 . 1 1 15 15 ALA N N 15 120.572 120.572 122.092 -1.520 25852 10457 1 16 . 1 1 15 15 ALA HA H 15 4.170 4.170 4.170 0.000 25852 10458 1 16 . 1 1 15 15 ALA CA C 15 52.750 52.750 54.825 -2.075 25852 10459 1 16 . 1 1 15 15 ALA CB C 15 16.425 16.425 18.649 -2.224 25852 10460 1 16 . 1 1 15 15 ALA H H 15 7.563 7.563 8.609 -1.046 25852 10461 1 16 . 1 1 16 16 PHE N N 16 117.784 117.784 116.285 1.499 25852 10462 1 16 . 1 1 16 16 PHE HA H 16 3.904 3.904 4.297 -0.393 25852 10463 1 16 . 1 1 16 16 PHE CA C 16 59.540 59.540 58.833 0.707 25852 10464 1 16 . 1 1 16 16 PHE CB C 16 36.820 36.820 39.527 -2.707 25852 10465 1 16 . 1 1 16 16 PHE H H 16 8.453 8.453 7.437 1.016 25852 10466 1 16 . 1 1 17 17 SER N N 17 110.774 110.774 114.820 -4.046 25852 10467 1 16 . 1 1 17 17 SER HA H 17 4.086 4.086 4.138 -0.052 25852 10468 1 16 . 1 1 17 17 SER CA C 17 58.560 58.560 60.173 -1.613 25852 10469 1 16 . 1 1 17 17 SER CB C 17 60.651 60.651 63.325 -2.674 25852 10470 1 16 . 1 1 17 17 SER H H 17 8.351 8.351 7.619 0.732 25852 10471 1 16 . 1 1 18 18 LEU N N 18 120.947 120.947 120.968 -0.021 25852 10472 1 16 . 1 1 18 18 LEU HA H 18 3.614 3.614 4.050 -0.436 25852 10473 1 16 . 1 1 18 18 LEU CA C 18 55.839 55.839 57.878 -2.039 25852 10474 1 16 . 1 1 18 18 LEU CB C 18 39.111 39.111 42.739 -3.628 25852 10475 1 16 . 1 1 18 18 LEU H H 18 7.278 7.278 8.248 -0.970 25852 10476 1 16 . 1 1 19 19 PHE N N 19 114.458 114.458 112.393 2.065 25852 10477 1 16 . 1 1 19 19 PHE HA H 19 3.904 3.904 4.507 -0.603 25852 10478 1 16 . 1 1 19 19 PHE CA C 19 56.870 56.870 57.803 -0.933 25852 10479 1 16 . 1 1 19 19 PHE CB C 19 33.841 33.841 41.541 -7.699 25852 10480 1 16 . 1 1 19 19 PHE H H 19 7.304 7.304 7.517 -0.213 25852 10481 1 16 . 1 1 20 20 ASP N N 20 122.233 122.233 121.537 0.696 25852 10482 1 16 . 1 1 20 20 ASP HA H 20 4.874 4.874 4.785 0.089 25852 10483 1 16 . 1 1 20 20 ASP CA C 20 50.454 50.454 53.074 -2.619 25852 10484 1 16 . 1 1 20 20 ASP CB C 20 37.622 37.622 39.703 -2.081 25852 10485 1 16 . 1 1 20 20 ASP H H 20 7.233 7.233 7.942 -0.709 25852 10486 1 16 . 1 1 21 21 LYS N N 21 123.433 123.433 123.278 0.155 25852 10487 1 16 . 1 1 21 21 LYS HA H 21 3.771 3.771 4.048 -0.277 25852 10488 1 16 . 1 1 21 21 LYS CA C 21 56.025 56.025 57.976 -1.951 25852 10489 1 16 . 1 1 21 21 LYS CB C 21 29.601 29.601 32.382 -2.781 25852 10490 1 16 . 1 1 21 21 LYS H H 21 8.007 8.007 8.085 -0.078 25852 10491 1 16 . 1 1 22 22 ASP N N 22 116.890 116.890 118.716 -1.826 25852 10492 1 16 . 1 1 22 22 ASP HA H 22 4.400 4.400 4.478 -0.078 25852 10493 1 16 . 1 1 22 22 ASP CA C 22 50.683 50.683 54.334 -3.651 25852 10494 1 16 . 1 1 22 22 ASP CB C 22 37.049 37.049 40.318 -3.269 25852 10495 1 16 . 1 1 22 22 ASP H H 22 8.641 8.641 8.173 0.468 25852 10496 1 16 . 1 1 23 23 GLY N N 23 110.068 110.068 107.460 2.608 25852 10497 1 16 . 1 1 23 23 GLY CA C 23 43.745 43.745 45.144 -1.399 25852 10498 1 16 . 1 1 23 23 GLY H H 23 7.938 7.938 7.735 0.203 25852 10499 1 16 . 1 1 24 24 ASP N N 24 120.219 120.219 120.088 0.131 25852 10500 1 16 . 1 1 24 24 ASP HA H 24 4.367 4.367 4.840 -0.473 25852 10501 1 16 . 1 1 24 24 ASP CA C 24 51.040 51.040 53.749 -2.709 25852 10502 1 16 . 1 1 24 24 ASP CB C 24 37.438 37.438 41.093 -3.655 25852 10503 1 16 . 1 1 24 24 ASP H H 24 8.723 8.723 8.319 0.404 25852 10504 1 16 . 1 1 25 25 GLY N N 25 111.889 111.889 109.526 2.363 25852 10505 1 16 . 1 1 25 25 GLY CA C 25 42.680 42.680 46.801 -4.121 25852 10506 1 16 . 1 1 25 25 GLY H H 25 10.132 10.132 8.947 1.185 25852 10507 1 16 . 1 1 26 26 THR N N 26 109.844 109.844 116.426 -6.582 25852 10508 1 16 . 1 1 26 26 THR HA H 26 5.386 5.386 5.008 0.378 25852 10509 1 16 . 1 1 26 26 THR CA C 26 56.950 56.950 61.029 -4.079 25852 10510 1 16 . 1 1 26 26 THR CB C 26 70.234 70.234 70.810 -0.576 25852 10511 1 16 . 1 1 26 26 THR H H 26 7.507 7.507 8.071 -0.564 25852 10512 1 16 . 1 1 27 27 ILE N N 27 110.289 110.289 118.269 -7.980 25852 10513 1 16 . 1 1 27 27 ILE HA H 27 3.891 3.891 5.014 -1.123 25852 10514 1 16 . 1 1 27 27 ILE CA C 27 58.360 58.360 58.782 -0.422 25852 10515 1 16 . 1 1 27 27 ILE CB C 27 35.559 35.559 40.812 -5.253 25852 10516 1 16 . 1 1 27 27 ILE H H 27 8.191 8.191 9.041 -0.850 25852 10517 1 16 . 1 1 28 28 THR N N 28 110.507 110.507 115.508 -5.001 25852 10518 1 16 . 1 1 28 28 THR HA H 28 4.895 4.895 4.535 0.360 25852 10519 1 16 . 1 1 28 28 THR CA C 28 57.787 57.787 62.455 -4.668 25852 10520 1 16 . 1 1 28 28 THR CB C 28 68.099 68.099 69.510 -1.411 25852 10521 1 16 . 1 1 28 28 THR H H 28 8.265 8.265 8.654 -0.389 25852 10522 1 16 . 1 1 29 29 THR N N 29 112.331 112.331 115.825 -3.494 25852 10523 1 16 . 1 1 29 29 THR HA H 29 3.941 3.941 4.052 -0.111 25852 10524 1 16 . 1 1 29 29 THR CA C 29 63.840 63.840 65.328 -1.488 25852 10525 1 16 . 1 1 29 29 THR CB C 29 65.807 65.807 68.785 -2.978 25852 10526 1 16 . 1 1 29 29 THR H H 29 8.225 8.225 8.342 -0.117 25852 10527 1 16 . 1 1 30 30 LYS N N 30 118.985 118.985 121.478 -2.493 25852 10528 1 16 . 1 1 30 30 LYS HA H 30 3.965 3.965 4.047 -0.082 25852 10529 1 16 . 1 1 30 30 LYS CA C 30 55.839 55.839 58.905 -3.066 25852 10530 1 16 . 1 1 30 30 LYS CB C 30 29.372 29.372 31.989 -2.617 25852 10531 1 16 . 1 1 30 30 LYS H H 30 7.559 7.559 8.648 -1.089 25852 10532 1 16 . 1 1 31 31 GLU N N 31 117.233 117.233 114.581 2.652 25852 10533 1 16 . 1 1 31 31 GLU HA H 31 3.965 3.965 4.126 -0.161 25852 10534 1 16 . 1 1 31 31 GLU CA C 31 57.140 57.140 56.544 0.596 25852 10535 1 16 . 1 1 31 31 GLU CB C 31 26.393 26.393 30.379 -3.986 25852 10536 1 16 . 1 1 31 31 GLU H H 31 7.431 7.431 7.680 -0.249 25852 10537 1 16 . 1 1 32 32 LEU N N 32 120.701 120.701 122.850 -2.149 25852 10538 1 16 . 1 1 32 32 LEU HA H 32 3.880 3.880 3.791 0.089 25852 10539 1 16 . 1 1 32 32 LEU CA C 32 55.520 55.520 57.927 -2.407 25852 10540 1 16 . 1 1 32 32 LEU CB C 32 39.226 39.226 41.270 -2.044 25852 10541 1 16 . 1 1 32 32 LEU H H 32 7.270 7.270 7.582 -0.312 25852 10542 1 16 . 1 1 33 33 GLY N N 33 105.217 105.217 105.624 -0.407 25852 10543 1 16 . 1 1 33 33 GLY CA C 33 45.642 45.642 47.625 -1.983 25852 10544 1 16 . 1 1 33 33 GLY H H 33 8.737 8.737 8.104 0.633 25852 10545 1 16 . 1 1 34 34 THR N N 34 118.196 118.196 118.429 -0.233 25852 10546 1 16 . 1 1 34 34 THR HA H 34 3.916 3.916 3.945 -0.029 25852 10547 1 16 . 1 1 34 34 THR CA C 34 63.859 63.859 66.282 -2.423 25852 10548 1 16 . 1 1 34 34 THR CB C 34 65.807 65.807 68.603 -2.796 25852 10549 1 16 . 1 1 34 34 THR H H 34 7.446 7.446 7.059 0.387 25852 10550 1 16 . 1 1 35 35 VAL N N 35 122.546 122.546 121.148 1.398 25852 10551 1 16 . 1 1 35 35 VAL HA H 35 3.373 3.373 3.814 -0.441 25852 10552 1 16 . 1 1 35 35 VAL CA C 35 64.088 64.088 65.381 -1.293 25852 10553 1 16 . 1 1 35 35 VAL CB C 35 28.799 28.799 31.016 -2.217 25852 10554 1 16 . 1 1 35 35 VAL H H 35 7.889 7.889 7.285 0.604 25852 10555 1 16 . 1 1 36 36 MET N N 36 118.307 118.307 117.505 0.802 25852 10556 1 16 . 1 1 36 36 MET HA H 36 3.880 3.880 4.228 -0.348 25852 10557 1 16 . 1 1 36 36 MET CA C 36 56.870 56.870 56.510 0.360 25852 10558 1 16 . 1 1 36 36 MET CB C 36 26.279 26.279 31.868 -5.589 25852 10559 1 16 . 1 1 36 36 MET H H 36 8.386 8.386 8.024 0.362 25852 10560 1 16 . 1 1 37 37 ARG N N 37 119.233 119.233 119.726 -0.493 25852 10561 1 16 . 1 1 37 37 ARG HA H 37 3.904 3.904 4.466 -0.562 25852 10562 1 16 . 1 1 37 37 ARG CA C 37 56.170 56.170 58.624 -2.454 25852 10563 1 16 . 1 1 37 37 ARG CB C 37 27.310 27.310 30.230 -2.921 25852 10564 1 16 . 1 1 37 37 ARG H H 37 8.451 8.451 8.420 0.031 25852 10565 1 16 . 1 1 38 38 SER N N 38 118.720 118.720 117.017 1.703 25852 10566 1 16 . 1 1 38 38 SER HA H 38 4.176 4.176 4.297 -0.121 25852 10567 1 16 . 1 1 38 38 SER CA C 38 59.250 59.250 61.452 -2.202 25852 10568 1 16 . 1 1 38 38 SER CB C 38 67.411 67.411 62.853 4.558 25852 10569 1 16 . 1 1 38 38 SER H H 38 8.040 8.040 8.326 -0.286 25852 10570 1 16 . 1 1 39 39 LEU N N 39 120.896 120.896 119.632 1.264 25852 10571 1 16 . 1 1 39 39 LEU HA H 39 4.460 4.460 4.455 0.005 25852 10572 1 16 . 1 1 39 39 LEU CA C 39 51.330 51.330 54.901 -3.571 25852 10573 1 16 . 1 1 39 39 LEU CB C 39 40.257 40.257 42.108 -1.851 25852 10574 1 16 . 1 1 39 39 LEU H H 39 7.263 7.263 7.363 -0.100 25852 10575 1 16 . 1 1 40 40 GLY N N 40 106.917 106.917 106.739 0.178 25852 10576 1 16 . 1 1 40 40 GLY CA C 40 42.880 42.880 44.587 -1.707 25852 10577 1 16 . 1 1 40 40 GLY H H 40 7.841 7.841 7.928 -0.087 25852 10578 1 16 . 1 1 41 41 GLN N N 41 117.171 117.171 120.628 -3.457 25852 10579 1 16 . 1 1 41 41 GLN HA H 41 4.243 4.243 4.335 -0.092 25852 10580 1 16 . 1 1 41 41 GLN CA C 41 52.631 52.631 55.478 -2.847 25852 10581 1 16 . 1 1 41 41 GLN CB C 41 30.747 30.747 29.617 1.130 25852 10582 1 16 . 1 1 41 41 GLN H H 41 7.687 7.687 7.765 -0.078 25852 10583 1 16 . 1 1 42 42 ASN N N 42 116.423 116.423 122.252 -5.829 25852 10584 1 16 . 1 1 42 42 ASN HA H 42 5.016 5.016 4.985 0.031 25852 10585 1 16 . 1 1 42 42 ASN CA C 42 48.640 48.640 49.745 -1.105 25852 10586 1 16 . 1 1 42 42 ASN CB C 42 36.591 36.591 37.654 -1.063 25852 10587 1 16 . 1 1 42 42 ASN H H 42 8.601 8.601 8.609 -0.008 25852 10588 1 16 . 1 1 44 44 THR N N 44 113.033 113.033 114.897 -1.864 25852 10589 1 16 . 1 1 44 44 THR HA H 44 4.279 4.279 4.661 -0.382 25852 10590 1 16 . 1 1 44 44 THR CA C 44 57.640 57.640 60.547 -2.907 25852 10591 1 16 . 1 1 44 44 THR CB C 44 68.328 68.328 70.477 -2.149 25852 10592 1 16 . 1 1 44 44 THR H H 44 8.711 8.711 8.118 0.593 25852 10593 1 16 . 1 1 45 45 GLU N N 45 120.233 120.233 124.632 -4.399 25852 10594 1 16 . 1 1 45 45 GLU HA H 45 3.892 3.892 4.143 -0.251 25852 10595 1 16 . 1 1 45 45 GLU CA C 45 56.756 56.756 59.979 -3.223 25852 10596 1 16 . 1 1 45 45 GLU CB C 45 26.393 26.393 29.351 -2.958 25852 10597 1 16 . 1 1 45 45 GLU H H 45 8.781 8.781 8.884 -0.103 25852 10598 1 16 . 1 1 46 46 ALA N N 46 120.833 120.833 121.001 -0.168 25852 10599 1 16 . 1 1 46 46 ALA HA H 46 3.868 3.868 4.280 -0.412 25852 10600 1 16 . 1 1 46 46 ALA CA C 46 52.310 52.310 54.604 -2.294 25852 10601 1 16 . 1 1 46 46 ALA CB C 46 15.394 15.394 18.316 -2.922 25852 10602 1 16 . 1 1 46 46 ALA H H 46 8.251 8.251 8.129 0.122 25852 10603 1 16 . 1 1 47 47 GLU N N 47 118.672 118.672 118.261 0.411 25852 10604 1 16 . 1 1 47 47 GLU HA H 47 3.965 3.965 4.101 -0.136 25852 10605 1 16 . 1 1 47 47 GLU CA C 47 56.641 56.641 58.964 -2.323 25852 10606 1 16 . 1 1 47 47 GLU CB C 47 26.623 26.623 29.548 -2.925 25852 10607 1 16 . 1 1 47 47 GLU H H 47 7.668 7.668 8.391 -0.723 25852 10608 1 16 . 1 1 48 48 LEU N N 48 119.645 119.645 118.318 1.327 25852 10609 1 16 . 1 1 48 48 LEU HA H 48 3.892 3.892 4.091 -0.199 25852 10610 1 16 . 1 1 48 48 LEU CA C 48 55.610 55.610 57.534 -1.924 25852 10611 1 16 . 1 1 48 48 LEU CB C 48 39.340 39.340 41.551 -2.212 25852 10612 1 16 . 1 1 48 48 LEU H H 48 8.244 8.244 7.645 0.599 25852 10613 1 16 . 1 1 49 49 GLN N N 49 117.446 117.446 116.826 0.620 25852 10614 1 16 . 1 1 49 49 GLN HA H 49 3.892 3.892 4.273 -0.381 25852 10615 1 16 . 1 1 49 49 GLN CA C 49 56.756 56.756 57.807 -1.052 25852 10616 1 16 . 1 1 49 49 GLN CB C 49 26.508 26.508 28.832 -2.324 25852 10617 1 16 . 1 1 49 49 GLN H H 49 7.980 7.980 7.794 0.186 25852 10618 1 16 . 1 1 50 50 ASP N N 50 118.733 118.733 120.388 -1.655 25852 10619 1 16 . 1 1 50 50 ASP HA H 50 4.267 4.267 4.608 -0.341 25852 10620 1 16 . 1 1 50 50 ASP CA C 50 54.700 54.700 56.706 -2.006 25852 10621 1 16 . 1 1 50 50 ASP CB C 50 37.622 37.622 41.531 -3.909 25852 10622 1 16 . 1 1 50 50 ASP H H 50 7.761 7.761 7.668 0.093 25852 10623 1 16 . 1 1 51 51 MET N N 51 118.996 118.996 118.818 0.178 25852 10624 1 16 . 1 1 51 51 MET HA H 51 3.892 3.892 4.395 -0.503 25852 10625 1 16 . 1 1 51 51 MET CA C 51 56.560 56.560 57.414 -0.854 25852 10626 1 16 . 1 1 51 51 MET CB C 51 29.601 29.601 32.814 -3.213 25852 10627 1 16 . 1 1 51 51 MET H H 51 7.900 7.900 8.566 -0.666 25852 10628 1 16 . 1 1 52 52 ILE N N 52 118.833 118.833 119.950 -1.117 25852 10629 1 16 . 1 1 52 52 ILE HA H 52 3.348 3.348 3.771 -0.423 25852 10630 1 16 . 1 1 52 52 ILE CA C 52 62.484 62.484 63.807 -1.323 25852 10631 1 16 . 1 1 52 52 ILE CB C 52 35.330 35.330 37.779 -2.449 25852 10632 1 16 . 1 1 52 52 ILE H H 52 8.261 8.261 7.567 0.694 25852 10633 1 16 . 1 1 53 53 ASN N N 53 117.296 117.296 114.603 2.693 25852 10634 1 16 . 1 1 53 53 ASN HA H 53 4.243 4.243 4.500 -0.257 25852 10635 1 16 . 1 1 53 53 ASN CA C 53 53.090 53.090 55.361 -2.271 25852 10636 1 16 . 1 1 53 53 ASN CB C 53 35.330 35.330 38.887 -3.557 25852 10637 1 16 . 1 1 53 53 ASN H H 53 8.186 8.186 7.455 0.731 25852 10638 1 16 . 1 1 54 54 GLU N N 54 117.133 117.133 118.199 -1.066 25852 10639 1 16 . 1 1 54 54 GLU HA H 54 3.965 3.965 4.246 -0.281 25852 10640 1 16 . 1 1 54 54 GLU CA C 54 56.412 56.412 58.489 -2.077 25852 10641 1 16 . 1 1 54 54 GLU CB C 54 26.508 26.508 30.506 -3.998 25852 10642 1 16 . 1 1 54 54 GLU H H 54 7.501 7.501 7.708 -0.207 25852 10643 1 16 . 1 1 55 55 VAL N N 55 112.928 112.928 118.312 -5.384 25852 10644 1 16 . 1 1 55 55 VAL HA H 55 4.194 4.194 4.052 0.142 25852 10645 1 16 . 1 1 55 55 VAL CA C 55 59.505 59.505 63.689 -4.184 25852 10646 1 16 . 1 1 55 55 VAL CB C 55 30.174 30.174 32.395 -2.221 25852 10647 1 16 . 1 1 55 55 VAL H H 55 7.575 7.575 8.314 -0.739 25852 10648 1 16 . 1 1 56 56 ASP N N 56 121.771 121.771 120.600 1.171 25852 10649 1 16 . 1 1 56 56 ASP HA H 56 4.388 4.388 4.496 -0.108 25852 10650 1 16 . 1 1 56 56 ASP CA C 56 50.990 50.990 54.075 -3.085 25852 10651 1 16 . 1 1 56 56 ASP CB C 56 36.820 36.820 39.461 -2.641 25852 10652 1 16 . 1 1 56 56 ASP H H 56 8.401 8.401 7.821 0.580 25852 10653 1 16 . 1 1 57 57 ALA N N 57 124.771 124.771 120.918 3.853 25852 10654 1 16 . 1 1 57 57 ALA HA H 57 4.001 4.001 4.246 -0.245 25852 10655 1 16 . 1 1 57 57 ALA CA C 57 52.402 52.402 53.518 -1.116 25852 10656 1 16 . 1 1 57 57 ALA CB C 57 15.280 15.280 18.950 -3.670 25852 10657 1 16 . 1 1 57 57 ALA H H 57 8.097 8.097 8.022 0.075 25852 10658 1 16 . 1 1 58 58 ASP N N 58 114.518 114.518 119.295 -4.777 25852 10659 1 16 . 1 1 58 58 ASP HA H 58 4.400 4.400 4.584 -0.184 25852 10660 1 16 . 1 1 58 58 ASP CA C 58 50.798 50.798 54.523 -3.725 25852 10661 1 16 . 1 1 58 58 ASP CB C 58 36.934 36.934 41.459 -4.526 25852 10662 1 16 . 1 1 58 58 ASP H H 58 8.376 8.376 8.087 0.289 25852 10663 1 16 . 1 1 59 59 GLY N N 59 108.798 108.798 107.727 1.071 25852 10664 1 16 . 1 1 59 59 GLY CA C 59 44.490 44.490 45.456 -0.966 25852 10665 1 16 . 1 1 59 59 GLY H H 59 7.827 7.827 8.075 -0.248 25852 10666 1 16 . 1 1 60 60 ASN N N 60 119.696 119.696 117.643 2.053 25852 10667 1 16 . 1 1 60 60 ASN HA H 60 4.688 4.688 4.696 -0.008 25852 10668 1 16 . 1 1 60 60 ASN CA C 60 51.943 51.943 53.023 -1.080 25852 10669 1 16 . 1 1 60 60 ASN CB C 60 38.424 38.424 39.327 -0.903 25852 10670 1 16 . 1 1 60 60 ASN H H 60 9.253 9.253 8.233 1.020 25852 10671 1 16 . 1 1 61 61 GLY N N 61 110.108 110.108 109.272 0.836 25852 10672 1 16 . 1 1 61 61 GLY CA C 61 42.870 42.870 46.026 -3.156 25852 10673 1 16 . 1 1 61 61 GLY H H 61 10.004 10.004 8.165 1.839 25852 10674 1 16 . 1 1 62 62 THR N N 62 110.533 110.533 112.694 -2.161 25852 10675 1 16 . 1 1 62 62 THR HA H 62 4.629 4.629 5.090 -0.461 25852 10676 1 16 . 1 1 62 62 THR CA C 62 59.162 59.162 60.361 -1.200 25852 10677 1 16 . 1 1 62 62 THR CB C 62 67.526 67.526 72.526 -5.000 25852 10678 1 16 . 1 1 62 62 THR H H 62 7.481 7.481 7.487 -0.006 25852 10679 1 16 . 1 1 63 63 ILE N N 63 118.533 118.533 122.809 -4.276 25852 10680 1 16 . 1 1 63 63 ILE HA H 63 3.783 3.783 4.556 -0.773 25852 10681 1 16 . 1 1 63 63 ILE CA C 63 60.537 60.537 58.150 2.387 25852 10682 1 16 . 1 1 63 63 ILE CB C 63 36.018 36.018 40.472 -4.454 25852 10683 1 16 . 1 1 63 63 ILE H H 63 8.820 8.820 9.237 -0.417 25852 10684 1 16 . 1 1 64 64 ASP N N 64 122.928 122.928 125.744 -2.816 25852 10685 1 16 . 1 1 64 64 ASP HA H 64 4.327 4.327 4.726 -0.399 25852 10686 1 16 . 1 1 64 64 ASP CA C 64 51.027 51.027 53.811 -2.784 25852 10687 1 16 . 1 1 64 64 ASP CB C 64 37.278 37.278 41.509 -4.231 25852 10688 1 16 . 1 1 64 64 ASP H H 64 8.380 8.380 8.690 -0.310 25852 10689 1 16 . 1 1 65 65 PHE N N 65 118.559 118.559 117.095 1.464 25852 10690 1 16 . 1 1 65 65 PHE HA H 65 3.880 3.880 4.888 -1.008 25852 10691 1 16 . 1 1 65 65 PHE CA C 65 56.870 56.870 59.988 -3.118 25852 10692 1 16 . 1 1 65 65 PHE CB C 65 33.497 33.497 35.870 -2.373 25852 10693 1 16 . 1 1 65 65 PHE H H 65 8.559 8.559 8.316 0.243 25852 10694 1 16 . 1 1 67 67 GLU N N 67 117.546 117.546 115.497 2.049 25852 10695 1 16 . 1 1 67 67 GLU HA H 67 3.904 3.904 4.235 -0.331 25852 10696 1 16 . 1 1 67 67 GLU CA C 67 56.870 56.870 57.658 -0.788 25852 10697 1 16 . 1 1 67 67 GLU CB C 67 26.623 26.623 29.696 -3.073 25852 10698 1 16 . 1 1 67 67 GLU H H 67 7.995 7.995 8.237 -0.242 25852 10699 1 16 . 1 1 68 68 PHE N N 68 122.032 122.032 120.229 1.803 25852 10700 1 16 . 1 1 68 68 PHE HA H 68 3.904 3.904 4.369 -0.465 25852 10701 1 16 . 1 1 68 68 PHE CA C 68 59.047 59.047 60.960 -1.913 25852 10702 1 16 . 1 1 68 68 PHE CB C 68 36.934 36.934 39.837 -2.903 25852 10703 1 16 . 1 1 68 68 PHE H H 68 8.377 8.377 7.673 0.704 25852 10704 1 16 . 1 1 69 69 LEU N N 69 118.488 118.488 118.982 -0.494 25852 10705 1 16 . 1 1 69 69 LEU HA H 69 3.179 3.179 4.156 -0.977 25852 10706 1 16 . 1 1 69 69 LEU CA C 69 55.158 55.158 57.615 -2.457 25852 10707 1 16 . 1 1 69 69 LEU CB C 69 38.195 38.195 41.828 -3.633 25852 10708 1 16 . 1 1 69 69 LEU H H 69 8.393 8.393 7.802 0.591 25852 10709 1 16 . 1 1 70 70 THR N N 70 115.208 115.208 115.585 -0.377 25852 10710 1 16 . 1 1 70 70 THR HA H 70 3.638 3.638 3.853 -0.215 25852 10711 1 16 . 1 1 70 70 THR CA C 70 63.630 63.630 66.064 -2.434 25852 10712 1 16 . 1 1 70 70 THR CB C 70 65.578 65.578 68.397 -2.819 25852 10713 1 16 . 1 1 70 70 THR H H 70 7.658 7.658 7.849 -0.191 25852 10714 1 16 . 1 1 71 71 MET N N 71 121.221 121.221 119.006 2.215 25852 10715 1 16 . 1 1 71 71 MET HA H 71 3.892 3.892 4.092 -0.200 25852 10716 1 16 . 1 1 71 71 MET CA C 71 56.303 56.303 58.477 -2.174 25852 10717 1 16 . 1 1 71 71 MET CB C 71 29.831 29.831 32.152 -2.321 25852 10718 1 16 . 1 1 71 71 MET H H 71 7.653 7.653 7.409 0.244 25852 10719 1 16 . 1 1 72 72 MET N N 72 117.459 117.459 117.011 0.448 25852 10720 1 16 . 1 1 72 72 MET HA H 72 3.892 3.892 4.356 -0.464 25852 10721 1 16 . 1 1 72 72 MET CA C 72 53.777 53.777 57.807 -4.030 25852 10722 1 16 . 1 1 72 72 MET CB C 72 29.029 29.029 32.656 -3.627 25852 10723 1 16 . 1 1 72 72 MET H H 72 7.956 7.956 7.440 0.516 25852 10724 1 16 . 1 1 73 73 ALA N N 73 120.856 120.856 120.874 -0.018 25852 10725 1 16 . 1 1 73 73 ALA HA H 73 3.868 3.868 4.243 -0.375 25852 10726 1 16 . 1 1 73 73 ALA CA C 73 52.402 52.402 54.316 -1.914 25852 10727 1 16 . 1 1 73 73 ALA CB C 73 15.280 15.280 18.870 -3.590 25852 10728 1 16 . 1 1 73 73 ALA H H 73 8.230 8.230 8.274 -0.044 25852 10729 1 16 . 1 1 74 74 ARG N N 74 116.530 116.530 117.558 -1.028 25852 10730 1 16 . 1 1 74 74 ARG HA H 74 3.892 3.892 4.208 -0.316 25852 10731 1 16 . 1 1 74 74 ARG CA C 74 56.297 56.297 57.879 -1.582 25852 10732 1 16 . 1 1 74 74 ARG CB C 74 27.997 27.997 29.552 -1.555 25852 10733 1 16 . 1 1 74 74 ARG H H 74 7.409 7.409 7.664 -0.255 25852 10734 1 16 . 1 1 75 75 LYS N N 75 118.008 118.008 118.990 -0.982 25852 10735 1 16 . 1 1 75 75 LYS HA H 75 3.965 3.965 4.125 -0.160 25852 10736 1 16 . 1 1 75 75 LYS CA C 75 55.495 55.495 58.693 -3.198 25852 10737 1 16 . 1 1 75 75 LYS CB C 75 26.279 26.279 32.159 -5.880 25852 10738 1 16 . 1 1 75 75 LYS H H 75 7.657 7.657 7.664 -0.007 25852 10739 1 16 . 1 1 76 76 MET N N 76 117.646 117.646 111.162 6.484 25852 10740 1 16 . 1 1 76 76 MET HA H 76 4.146 4.146 5.464 -1.318 25852 10741 1 16 . 1 1 76 76 MET CA C 76 53.947 53.947 55.972 -2.025 25852 10742 1 16 . 1 1 76 76 MET CB C 76 29.487 29.487 35.152 -5.665 25852 10743 1 16 . 1 1 76 76 MET H H 76 7.883 7.883 7.386 0.497 25852 10744 1 16 . 1 1 77 77 LYS N N 77 120.334 120.334 119.681 0.653 25852 10745 1 16 . 1 1 77 77 LYS HA H 77 3.941 3.941 4.283 -0.342 25852 10746 1 16 . 1 1 77 77 LYS CA C 77 56.526 56.526 58.682 -2.156 25852 10747 1 16 . 1 1 77 77 LYS CB C 77 27.425 27.425 32.692 -5.267 25852 10748 1 16 . 1 1 77 77 LYS H H 77 7.658 7.658 7.648 0.010 25852 10749 1 16 . 1 1 78 78 ASP N N 78 121.733 121.733 116.647 5.086 25852 10750 1 16 . 1 1 78 78 ASP HA H 78 4.194 4.194 4.721 -0.527 25852 10751 1 16 . 1 1 78 78 ASP CA C 78 52.516 52.516 55.903 -3.387 25852 10752 1 16 . 1 1 78 78 ASP CB C 78 40.028 40.028 42.202 -2.174 25852 10753 1 16 . 1 1 78 78 ASP H H 78 8.212 8.212 7.671 0.541 25852 10754 1 16 . 1 1 79 79 THR N N 79 114.651 114.651 115.353 -0.702 25852 10755 1 16 . 1 1 79 79 THR HA H 79 4.170 4.170 4.414 -0.244 25852 10756 1 16 . 1 1 79 79 THR CA C 79 59.391 59.391 62.086 -2.695 25852 10757 1 16 . 1 1 79 79 THR CB C 79 67.067 67.067 68.815 -1.748 25852 10758 1 16 . 1 1 79 79 THR H H 79 8.048 8.048 8.073 -0.025 25852 10759 1 16 . 1 1 80 80 ASP N N 80 122.484 122.484 118.618 3.866 25852 10760 1 16 . 1 1 80 80 ASP HA H 80 4.363 4.363 4.351 0.012 25852 10761 1 16 . 1 1 80 80 ASP CA C 80 50.850 50.850 55.084 -4.234 25852 10762 1 16 . 1 1 80 80 ASP CB C 80 36.705 36.705 41.672 -4.967 25852 10763 1 16 . 1 1 80 80 ASP H H 80 8.432 8.432 7.919 0.513 25852 10764 1 16 . 1 1 81 81 SER N N 81 117.135 117.135 116.203 0.932 25852 10765 1 16 . 1 1 81 81 SER HA H 81 4.267 4.267 4.433 -0.166 25852 10766 1 16 . 1 1 81 81 SER CA C 81 56.870 56.870 60.512 -3.642 25852 10767 1 16 . 1 1 81 81 SER CB C 81 60.884 60.884 63.635 -2.751 25852 10768 1 16 . 1 1 81 81 SER H H 81 8.403 8.403 8.720 -0.317 25852 10769 1 16 . 1 1 82 82 GLU N N 82 121.723 121.723 122.065 -0.342 25852 10770 1 16 . 1 1 82 82 GLU HA H 82 3.883 3.883 4.302 -0.419 25852 10771 1 16 . 1 1 82 82 GLU CA C 82 56.707 56.707 58.491 -1.784 25852 10772 1 16 . 1 1 82 82 GLU CB C 82 29.831 29.831 29.155 0.676 25852 10773 1 16 . 1 1 82 82 GLU H H 82 8.443 8.443 8.299 0.144 25852 10774 1 16 . 1 1 83 83 GLU N N 83 119.259 119.259 118.490 0.769 25852 10775 1 16 . 1 1 83 83 GLU HA H 83 3.883 3.883 4.139 -0.256 25852 10776 1 16 . 1 1 83 83 GLU CA C 83 56.606 56.606 58.301 -1.696 25852 10777 1 16 . 1 1 83 83 GLU CB C 83 29.364 29.364 29.245 0.119 25852 10778 1 16 . 1 1 83 83 GLU H H 83 8.118 8.118 8.643 -0.525 25852 10779 1 16 . 1 1 84 84 GLU N N 84 118.060 118.060 118.067 -0.007 25852 10780 1 16 . 1 1 84 84 GLU HA H 84 3.871 3.871 4.346 -0.475 25852 10781 1 16 . 1 1 84 84 GLU CA C 84 56.606 56.606 58.492 -1.886 25852 10782 1 16 . 1 1 84 84 GLU CB C 84 25.817 25.817 29.562 -3.745 25852 10783 1 16 . 1 1 84 84 GLU H H 84 8.212 8.212 7.765 0.447 25852 10784 1 16 . 1 1 85 85 ILE N N 85 120.736 120.736 116.354 4.382 25852 10785 1 16 . 1 1 85 85 ILE HA H 85 3.678 3.678 3.896 -0.218 25852 10786 1 16 . 1 1 85 85 ILE CA C 85 62.484 62.484 64.321 -1.837 25852 10787 1 16 . 1 1 85 85 ILE CB C 85 35.445 35.445 38.648 -3.203 25852 10788 1 16 . 1 1 85 85 ILE H H 85 7.964 7.964 7.228 0.736 25852 10789 1 16 . 1 1 86 86 ARG N N 86 121.452 121.452 120.403 1.049 25852 10790 1 16 . 1 1 86 86 ARG HA H 86 3.989 3.989 3.900 0.089 25852 10791 1 16 . 1 1 86 86 ARG CA C 86 56.985 56.985 58.754 -1.769 25852 10792 1 16 . 1 1 86 86 ARG CB C 86 26.856 26.856 29.194 -2.338 25852 10793 1 16 . 1 1 86 86 ARG H H 86 8.351 8.351 8.154 0.197 25852 10794 1 16 . 1 1 87 87 GLU N N 87 118.288 118.288 119.494 -1.206 25852 10795 1 16 . 1 1 87 87 GLU HA H 87 3.861 3.861 4.231 -0.370 25852 10796 1 16 . 1 1 87 87 GLU CA C 87 56.606 56.606 58.181 -1.575 25852 10797 1 16 . 1 1 87 87 GLU CB C 87 25.817 25.817 29.151 -3.334 25852 10798 1 16 . 1 1 87 87 GLU H H 87 8.238 8.238 7.905 0.333 25852 10799 1 16 . 1 1 88 88 ALA N N 88 120.408 120.408 122.077 -1.669 25852 10800 1 16 . 1 1 88 88 ALA HA H 88 4.013 4.013 4.111 -0.098 25852 10801 1 16 . 1 1 88 88 ALA CA C 88 52.263 52.263 54.834 -2.571 25852 10802 1 16 . 1 1 88 88 ALA CB C 88 15.080 15.080 18.088 -3.008 25852 10803 1 16 . 1 1 88 88 ALA H H 88 7.960 7.960 7.727 0.233 25852 10804 1 16 . 1 1 89 89 PHE N N 89 118.123 118.123 114.208 3.915 25852 10805 1 16 . 1 1 89 89 PHE HA H 89 3.058 3.058 4.522 -1.464 25852 10806 1 16 . 1 1 89 89 PHE CA C 89 59.703 59.703 59.358 0.345 25852 10807 1 16 . 1 1 89 89 PHE CB C 89 36.774 36.774 38.159 -1.385 25852 10808 1 16 . 1 1 89 89 PHE H H 89 8.498 8.498 6.870 1.628 25852 10809 1 16 . 1 1 90 90 ARG N N 90 116.002 116.002 118.921 -2.919 25852 10810 1 16 . 1 1 90 90 ARG HA H 90 3.892 3.892 4.393 -0.501 25852 10811 1 16 . 1 1 90 90 ARG CA C 90 56.168 56.168 57.465 -1.297 25852 10812 1 16 . 1 1 90 90 ARG CB C 90 27.654 27.654 29.897 -2.243 25852 10813 1 16 . 1 1 90 90 ARG H H 90 7.860 7.860 7.720 0.140 25852 10814 1 16 . 1 1 91 91 VAL N N 91 118.008 118.008 119.334 -1.326 25852 10815 1 16 . 1 1 91 91 VAL HA H 91 3.243 3.243 3.845 -0.602 25852 10816 1 16 . 1 1 91 91 VAL CA C 91 63.357 63.357 65.340 -1.983 25852 10817 1 16 . 1 1 91 91 VAL CB C 91 28.444 28.444 32.090 -3.646 25852 10818 1 16 . 1 1 91 91 VAL H H 91 7.300 7.300 7.909 -0.609 25852 10819 1 16 . 1 1 92 92 PHE N N 92 113.024 113.024 116.704 -3.680 25852 10820 1 16 . 1 1 92 92 PHE HA H 92 3.967 3.967 4.488 -0.521 25852 10821 1 16 . 1 1 92 92 PHE CA C 92 57.558 57.558 59.846 -2.288 25852 10822 1 16 . 1 1 92 92 PHE CB C 92 38.838 38.838 40.424 -1.586 25852 10823 1 16 . 1 1 92 92 PHE H H 92 6.805 6.805 7.600 -0.795 25852 10824 1 16 . 1 1 93 93 ASP N N 93 116.393 116.393 120.271 -3.878 25852 10825 1 16 . 1 1 93 93 ASP HA H 93 4.496 4.496 4.510 -0.014 25852 10826 1 16 . 1 1 93 93 ASP CA C 93 49.525 49.525 55.498 -5.973 25852 10827 1 16 . 1 1 93 93 ASP CB C 93 35.788 35.788 40.448 -4.660 25852 10828 1 16 . 1 1 93 93 ASP H H 93 8.018 8.018 7.941 0.077 25852 10829 1 16 . 1 1 94 94 LYS N N 94 125.158 125.158 124.826 0.332 25852 10830 1 16 . 1 1 94 94 LYS HA H 94 3.892 3.892 4.312 -0.420 25852 10831 1 16 . 1 1 94 94 LYS CA C 94 56.183 56.183 57.834 -1.651 25852 10832 1 16 . 1 1 94 94 LYS CB C 94 29.945 29.945 32.846 -2.901 25852 10833 1 16 . 1 1 94 94 LYS H H 94 7.721 7.721 8.623 -0.902 25852 10834 1 16 . 1 1 95 95 ASP N N 95 113.893 113.893 118.118 -4.225 25852 10835 1 16 . 1 1 95 95 ASP HA H 95 4.415 4.415 4.507 -0.092 25852 10836 1 16 . 1 1 95 95 ASP CA C 95 50.683 50.683 54.731 -4.048 25852 10837 1 16 . 1 1 95 95 ASP CB C 95 36.774 36.774 41.129 -4.355 25852 10838 1 16 . 1 1 95 95 ASP H H 95 8.156 8.156 8.485 -0.329 25852 10839 1 16 . 1 1 96 96 GLY N N 96 108.799 108.799 106.920 1.879 25852 10840 1 16 . 1 1 96 96 GLY CA C 96 44.344 44.344 46.249 -1.905 25852 10841 1 16 . 1 1 96 96 GLY H H 96 7.717 7.717 8.465 -0.748 25852 10842 1 16 . 1 1 97 97 ASN N N 97 119.381 119.381 118.349 1.032 25852 10843 1 16 . 1 1 97 97 ASN HA H 97 4.500 4.500 4.751 -0.251 25852 10844 1 16 . 1 1 97 97 ASN CA C 97 49.916 49.916 53.019 -3.103 25852 10845 1 16 . 1 1 97 97 ASN CB C 97 35.183 35.183 39.160 -3.978 25852 10846 1 16 . 1 1 97 97 ASN H H 97 8.312 8.312 8.268 0.044 25852 10847 1 16 . 1 1 98 98 GLY N N 98 112.330 112.330 107.509 4.821 25852 10848 1 16 . 1 1 98 98 GLY CA C 98 42.434 42.434 45.314 -2.880 25852 10849 1 16 . 1 1 98 98 GLY H H 98 10.555 10.555 7.798 2.757 25852 10850 1 16 . 1 1 99 99 TYR N N 99 116.075 116.075 119.345 -3.270 25852 10851 1 16 . 1 1 99 99 TYR HA H 99 4.871 4.871 4.957 -0.086 25852 10852 1 16 . 1 1 99 99 TYR CA C 99 53.582 53.582 55.860 -2.278 25852 10853 1 16 . 1 1 99 99 TYR CB C 99 39.981 39.981 39.584 0.397 25852 10854 1 16 . 1 1 99 99 TYR H H 99 7.650 7.650 7.510 0.140 25852 10855 1 16 . 1 1 100 100 ILE N N 100 126.834 126.834 127.062 -0.228 25852 10856 1 16 . 1 1 100 100 ILE HA H 100 4.493 4.493 4.204 0.289 25852 10857 1 16 . 1 1 100 100 ILE CA C 100 58.616 58.616 61.410 -2.794 25852 10858 1 16 . 1 1 100 100 ILE CB C 100 35.903 35.903 36.684 -0.782 25852 10859 1 16 . 1 1 100 100 ILE H H 100 10.037 10.037 8.170 1.867 25852 10860 1 16 . 1 1 101 101 SER N N 101 123.486 123.486 122.509 0.977 25852 10861 1 16 . 1 1 101 101 SER HA H 101 4.738 4.738 4.432 0.306 25852 10862 1 16 . 1 1 101 101 SER CA C 101 52.897 52.897 57.571 -4.674 25852 10863 1 16 . 1 1 101 101 SER CB C 101 64.134 64.134 63.952 0.182 25852 10864 1 16 . 1 1 101 101 SER H H 101 8.904 8.904 9.018 -0.114 25852 10865 1 16 . 1 1 102 102 ALA N N 102 122.796 122.796 124.384 -1.588 25852 10866 1 16 . 1 1 102 102 ALA HA H 102 3.747 3.747 4.042 -0.295 25852 10867 1 16 . 1 1 102 102 ALA CA C 102 53.093 53.093 54.942 -1.849 25852 10868 1 16 . 1 1 102 102 ALA CB C 102 15.114 15.114 18.487 -3.373 25852 10869 1 16 . 1 1 102 102 ALA H H 102 9.246 9.246 8.907 0.339 25852 10870 1 16 . 1 1 103 103 ALA N N 103 118.362 118.362 119.791 -1.429 25852 10871 1 16 . 1 1 103 103 ALA HA H 103 3.861 3.861 4.213 -0.352 25852 10872 1 16 . 1 1 103 103 ALA CA C 103 52.409 52.409 54.102 -1.693 25852 10873 1 16 . 1 1 103 103 ALA CB C 103 15.456 15.456 19.028 -3.572 25852 10874 1 16 . 1 1 103 103 ALA H H 103 8.214 8.214 8.426 -0.212 25852 10875 1 16 . 1 1 104 104 GLU N N 104 120.187 120.187 120.662 -0.475 25852 10876 1 16 . 1 1 104 104 GLU HA H 104 3.904 3.904 4.156 -0.252 25852 10877 1 16 . 1 1 104 104 GLU CA C 104 56.563 56.563 59.004 -2.441 25852 10878 1 16 . 1 1 104 104 GLU CB C 104 26.400 26.400 29.829 -3.429 25852 10879 1 16 . 1 1 104 104 GLU H H 104 7.864 7.864 7.894 -0.030 25852 10880 1 16 . 1 1 105 105 LEU N N 105 121.050 121.050 120.075 0.975 25852 10881 1 16 . 1 1 105 105 LEU HA H 105 3.892 3.892 4.322 -0.430 25852 10882 1 16 . 1 1 105 105 LEU CA C 105 55.732 55.732 58.038 -2.306 25852 10883 1 16 . 1 1 105 105 LEU CB C 105 39.340 39.340 42.383 -3.043 25852 10884 1 16 . 1 1 105 105 LEU H H 105 8.341 8.341 8.582 -0.241 25852 10885 1 16 . 1 1 106 106 ARG N N 106 118.494 118.494 119.135 -0.641 25852 10886 1 16 . 1 1 106 106 ARG HA H 106 3.904 3.904 4.082 -0.178 25852 10887 1 16 . 1 1 106 106 ARG CA C 106 55.724 55.724 58.864 -3.140 25852 10888 1 16 . 1 1 106 106 ARG CB C 106 29.945 29.945 29.115 0.830 25852 10889 1 16 . 1 1 106 106 ARG H H 106 8.852 8.852 7.735 1.117 25852 10890 1 16 . 1 1 107 107 HIS N N 107 118.921 118.921 119.280 -0.359 25852 10891 1 16 . 1 1 107 107 HIS HA H 107 3.876 3.876 4.434 -0.558 25852 10892 1 16 . 1 1 107 107 HIS CA C 107 56.807 56.807 59.355 -2.548 25852 10893 1 16 . 1 1 107 107 HIS CB C 107 27.198 27.198 30.402 -3.204 25852 10894 1 16 . 1 1 107 107 HIS H H 107 8.045 8.045 8.569 -0.524 25852 10895 1 16 . 1 1 108 108 VAL N N 108 118.991 118.991 120.740 -1.749 25852 10896 1 16 . 1 1 108 108 VAL HA H 108 3.385 3.385 3.573 -0.188 25852 10897 1 16 . 1 1 108 108 VAL CA C 108 64.285 64.285 66.501 -2.216 25852 10898 1 16 . 1 1 108 108 VAL CB C 108 28.908 28.908 31.146 -2.238 25852 10899 1 16 . 1 1 108 108 VAL H H 108 7.766 7.766 8.635 -0.869 25852 10900 1 16 . 1 1 109 109 MET N N 109 115.789 115.789 119.169 -3.380 25852 10901 1 16 . 1 1 109 109 MET HA H 109 4.139 4.139 3.982 0.157 25852 10902 1 16 . 1 1 109 109 MET CA C 109 54.461 54.461 59.956 -5.495 25852 10903 1 16 . 1 1 109 109 MET CB C 109 29.706 29.706 32.436 -2.730 25852 10904 1 16 . 1 1 109 109 MET H H 109 8.333 8.333 8.660 -0.327 25852 10905 1 16 . 1 1 110 110 THR N N 110 116.700 116.700 113.669 3.031 25852 10906 1 16 . 1 1 110 110 THR HA H 110 3.935 3.935 4.139 -0.204 25852 10907 1 16 . 1 1 110 110 THR CA C 110 63.845 63.845 64.898 -1.053 25852 10908 1 16 . 1 1 110 110 THR CB C 110 66.072 66.072 68.498 -2.426 25852 10909 1 16 . 1 1 110 110 THR H H 110 8.603 8.603 8.365 0.238 25852 10910 1 16 . 1 1 111 111 ASN N N 111 123.354 123.354 119.124 4.230 25852 10911 1 16 . 1 1 111 111 ASN HA H 111 4.242 4.242 4.517 -0.275 25852 10912 1 16 . 1 1 111 111 ASN CA C 111 53.093 53.093 55.397 -2.304 25852 10913 1 16 . 1 1 111 111 ASN CB C 111 35.292 35.292 38.656 -3.364 25852 10914 1 16 . 1 1 111 111 ASN H H 111 7.991 7.991 7.272 0.719 25852 10915 1 16 . 1 1 112 112 LEU N N 112 118.291 118.291 116.107 2.184 25852 10916 1 16 . 1 1 112 112 LEU HA H 112 4.182 4.182 4.138 0.044 25852 10917 1 16 . 1 1 112 112 LEU CA C 112 52.653 52.653 56.143 -3.490 25852 10918 1 16 . 1 1 112 112 LEU CB C 112 39.738 39.738 42.735 -2.997 25852 10919 1 16 . 1 1 112 112 LEU H H 112 7.754 7.754 7.964 -0.210 25852 10920 1 16 . 1 1 113 113 GLY N N 113 106.894 106.894 103.900 2.994 25852 10921 1 16 . 1 1 113 113 GLY CA C 113 42.536 42.536 44.438 -1.902 25852 10922 1 16 . 1 1 113 113 GLY H H 113 7.778 7.778 8.090 -0.312 25852 10923 1 16 . 1 1 114 114 GLU N N 114 119.776 119.776 121.391 -1.615 25852 10924 1 16 . 1 1 114 114 GLU HA H 114 4.267 4.267 4.492 -0.225 25852 10925 1 16 . 1 1 114 114 GLU CA C 114 52.067 52.067 55.225 -3.158 25852 10926 1 16 . 1 1 114 114 GLU CB C 114 26.616 26.616 32.189 -5.573 25852 10927 1 16 . 1 1 114 114 GLU H H 114 7.957 7.957 8.511 -0.554 25852 10928 1 16 . 1 1 115 115 LYS N N 115 124.429 124.429 121.350 3.079 25852 10929 1 16 . 1 1 115 115 LYS HA H 115 4.255 4.255 4.499 -0.244 25852 10930 1 16 . 1 1 115 115 LYS CA C 115 52.848 52.848 55.515 -2.667 25852 10931 1 16 . 1 1 115 115 LYS CB C 115 30.518 30.518 33.670 -3.152 25852 10932 1 16 . 1 1 115 115 LYS H H 115 8.591 8.591 8.394 0.197 25852 10933 1 16 . 1 1 116 116 LEU N N 116 124.724 124.724 126.031 -1.307 25852 10934 1 16 . 1 1 116 116 LEU HA H 116 4.690 4.690 4.880 -0.190 25852 10935 1 16 . 1 1 116 116 LEU CA C 116 51.089 51.089 54.187 -3.098 25852 10936 1 16 . 1 1 116 116 LEU CB C 116 42.588 42.588 44.942 -2.354 25852 10937 1 16 . 1 1 116 116 LEU H H 116 8.066 8.066 8.526 -0.460 25852 10938 1 16 . 1 1 117 117 THR N N 117 113.912 113.912 118.819 -4.907 25852 10939 1 16 . 1 1 117 117 THR HA H 117 4.302 4.302 4.343 -0.041 25852 10940 1 16 . 1 1 117 117 THR CA C 117 57.834 57.834 61.460 -3.626 25852 10941 1 16 . 1 1 117 117 THR CB C 117 68.580 68.580 70.597 -2.017 25852 10942 1 16 . 1 1 117 117 THR H H 117 9.165 9.165 8.908 0.257 25852 10943 1 16 . 1 1 118 118 ASP N N 118 120.787 120.787 120.558 0.229 25852 10944 1 16 . 1 1 118 118 ASP HA H 118 4.061 4.061 4.426 -0.365 25852 10945 1 16 . 1 1 118 118 ASP CA C 118 55.243 55.243 57.827 -2.584 25852 10946 1 16 . 1 1 118 118 ASP CB C 118 37.002 37.002 40.978 -3.977 25852 10947 1 16 . 1 1 118 118 ASP H H 118 8.860 8.860 8.778 0.082 25852 10948 1 16 . 1 1 119 119 GLU N N 119 119.091 119.091 117.821 1.270 25852 10949 1 16 . 1 1 119 119 GLU HA H 119 3.892 3.892 4.399 -0.507 25852 10950 1 16 . 1 1 119 119 GLU CA C 119 57.149 57.149 57.631 -0.482 25852 10951 1 16 . 1 1 119 119 GLU CB C 119 25.931 25.931 29.047 -3.115 25852 10952 1 16 . 1 1 119 119 GLU H H 119 8.618 8.618 8.556 0.062 25852 10953 1 16 . 1 1 120 120 GLU N N 120 120.037 120.037 117.253 2.784 25852 10954 1 16 . 1 1 120 120 GLU HA H 120 3.880 3.880 4.220 -0.340 25852 10955 1 16 . 1 1 120 120 GLU CA C 120 56.319 56.319 57.701 -1.382 25852 10956 1 16 . 1 1 120 120 GLU CB C 120 25.830 25.830 29.695 -3.865 25852 10957 1 16 . 1 1 120 120 GLU H H 120 7.659 7.659 8.374 -0.715 25852 10958 1 16 . 1 1 121 121 VAL N N 121 122.512 122.512 115.720 6.792 25852 10959 1 16 . 1 1 121 121 VAL HA H 121 3.385 3.385 4.009 -0.624 25852 10960 1 16 . 1 1 121 121 VAL CA C 121 64.090 64.090 64.079 0.010 25852 10961 1 16 . 1 1 121 121 VAL CB C 121 28.680 28.680 31.972 -3.292 25852 10962 1 16 . 1 1 121 121 VAL H H 121 7.887 7.887 7.286 0.601 25852 10963 1 16 . 1 1 122 122 ASP N N 122 119.993 119.993 119.047 0.946 25852 10964 1 16 . 1 1 122 122 ASP HA H 122 4.157 4.157 4.459 -0.302 25852 10965 1 16 . 1 1 122 122 ASP CA C 122 54.901 54.901 56.279 -1.378 25852 10966 1 16 . 1 1 122 122 ASP CB C 122 37.572 37.572 39.461 -1.889 25852 10967 1 16 . 1 1 122 122 ASP H H 122 7.973 7.973 8.518 -0.545 25852 10968 1 16 . 1 1 123 123 GLU N N 123 119.521 119.521 113.679 5.842 25852 10969 1 16 . 1 1 123 123 GLU HA H 123 3.880 3.880 4.456 -0.576 25852 10970 1 16 . 1 1 123 123 GLU CA C 123 56.612 56.612 56.987 -0.375 25852 10971 1 16 . 1 1 123 123 GLU CB C 123 26.172 26.172 30.625 -4.453 25852 10972 1 16 . 1 1 123 123 GLU H H 123 7.903 7.903 8.087 -0.184 25852 10973 1 16 . 1 1 124 124 MET N N 124 118.961 118.961 120.352 -1.391 25852 10974 1 16 . 1 1 124 124 MET HA H 124 3.892 3.892 4.296 -0.404 25852 10975 1 16 . 1 1 124 124 MET CA C 124 56.905 56.905 58.609 -1.704 25852 10976 1 16 . 1 1 124 124 MET CB C 124 29.250 29.250 33.253 -4.003 25852 10977 1 16 . 1 1 124 124 MET H H 124 7.496 7.496 7.621 -0.125 25852 10978 1 16 . 1 1 125 125 ILE N N 125 117.801 117.801 117.340 0.461 25852 10979 1 16 . 1 1 125 125 ILE HA H 125 3.409 3.409 3.928 -0.519 25852 10980 1 16 . 1 1 125 125 ILE CA C 125 60.131 60.131 63.994 -3.863 25852 10981 1 16 . 1 1 125 125 ILE CB C 125 33.240 33.240 38.806 -5.566 25852 10982 1 16 . 1 1 125 125 ILE H H 125 7.762 7.762 7.638 0.124 25852 10983 1 16 . 1 1 126 126 ARG N N 126 117.729 117.729 117.888 -0.159 25852 10984 1 16 . 1 1 126 126 ARG HA H 126 3.883 3.883 3.967 -0.084 25852 10985 1 16 . 1 1 126 126 ARG CA C 126 56.673 56.673 59.408 -2.735 25852 10986 1 16 . 1 1 126 126 ARG CB C 126 29.478 29.478 30.072 -0.594 25852 10987 1 16 . 1 1 126 126 ARG H H 126 8.055 8.055 8.687 -0.632 25852 10988 1 16 . 1 1 127 127 GLU N N 127 117.539 117.539 116.712 0.827 25852 10989 1 16 . 1 1 127 127 GLU HA H 127 3.861 3.861 4.156 -0.295 25852 10990 1 16 . 1 1 127 127 GLU CA C 127 56.319 56.319 58.328 -2.010 25852 10991 1 16 . 1 1 127 127 GLU CB C 127 26.286 26.286 29.199 -2.913 25852 10992 1 16 . 1 1 127 127 GLU H H 127 7.700 7.700 7.735 -0.035 25852 10993 1 16 . 1 1 128 128 ALA N N 128 116.677 116.677 119.809 -3.132 25852 10994 1 16 . 1 1 128 128 ALA HA H 128 4.500 4.500 4.508 -0.008 25852 10995 1 16 . 1 1 128 128 ALA CA C 128 48.205 48.205 51.725 -3.521 25852 10996 1 16 . 1 1 128 128 ALA CB C 128 19.633 19.633 20.826 -1.193 25852 10997 1 16 . 1 1 128 128 ALA H H 128 7.223 7.223 7.573 -0.350 25852 10998 1 16 . 1 1 129 129 ASP N N 129 118.030 118.030 119.100 -1.070 25852 10999 1 16 . 1 1 129 129 ASP HA H 129 4.460 4.460 4.671 -0.211 25852 11000 1 16 . 1 1 129 129 ASP CA C 129 51.485 51.485 56.278 -4.793 25852 11001 1 16 . 1 1 129 129 ASP CB C 129 38.195 38.195 41.174 -2.979 25852 11002 1 16 . 1 1 129 129 ASP H H 129 7.895 7.895 8.319 -0.424 25852 11003 1 16 . 1 1 130 130 ILE N N 130 127.693 127.693 126.304 1.389 25852 11004 1 16 . 1 1 130 130 ILE HA H 130 3.797 3.797 3.998 -0.201 25852 11005 1 16 . 1 1 130 130 ILE CA C 130 60.522 60.522 63.384 -2.862 25852 11006 1 16 . 1 1 130 130 ILE CB C 130 36.090 36.090 38.609 -2.519 25852 11007 1 16 . 1 1 130 130 ILE H H 130 8.148 8.148 9.106 -0.958 25852 11008 1 16 . 1 1 131 131 ASP N N 131 116.409 116.409 118.022 -1.613 25852 11009 1 16 . 1 1 131 131 ASP HA H 131 4.376 4.376 4.663 -0.287 25852 11010 1 16 . 1 1 131 131 ASP CA C 131 51.187 51.187 54.384 -3.197 25852 11011 1 16 . 1 1 131 131 ASP CB C 131 37.468 37.468 41.995 -4.527 25852 11012 1 16 . 1 1 131 131 ASP H H 131 8.288 8.288 8.102 0.186 25852 11013 1 16 . 1 1 132 132 GLY N N 132 108.363 108.363 108.172 0.191 25852 11014 1 16 . 1 1 132 132 GLY CA C 132 44.638 44.638 45.347 -0.709 25852 11015 1 16 . 1 1 132 132 GLY H H 132 7.630 7.630 7.766 -0.136 25852 11016 1 16 . 1 1 133 133 ASP N N 133 120.183 120.183 120.352 -0.169 25852 11017 1 16 . 1 1 133 133 ASP HA H 133 4.329 4.329 4.510 -0.181 25852 11018 1 16 . 1 1 133 133 ASP CA C 133 50.942 50.942 55.341 -4.399 25852 11019 1 16 . 1 1 133 133 ASP CB C 133 37.458 37.458 41.391 -3.933 25852 11020 1 16 . 1 1 133 133 ASP H H 133 8.298 8.298 8.711 -0.413 25852 11021 1 16 . 1 1 134 134 GLY N N 134 112.149 112.149 106.529 5.620 25852 11022 1 16 . 1 1 134 134 GLY CA C 134 43.122 43.122 45.190 -2.068 25852 11023 1 16 . 1 1 134 134 GLY H H 134 10.079 10.079 7.932 2.147 25852 11024 1 16 . 1 1 135 135 GLN N N 135 115.069 115.069 118.305 -3.236 25852 11025 1 16 . 1 1 135 135 GLN HA H 135 4.844 4.844 4.457 0.387 25852 11026 1 16 . 1 1 135 135 GLN CA C 135 50.454 50.454 54.236 -3.782 25852 11027 1 16 . 1 1 135 135 GLN CB C 135 30.614 30.614 30.180 0.434 25852 11028 1 16 . 1 1 135 135 GLN H H 135 7.922 7.922 7.743 0.179 25852 11029 1 16 . 1 1 136 136 VAL N N 136 125.107 125.107 124.802 0.305 25852 11030 1 16 . 1 1 136 136 VAL HA H 136 5.096 5.096 4.046 1.050 25852 11031 1 16 . 1 1 136 136 VAL CA C 136 58.713 58.713 63.153 -4.440 25852 11032 1 16 . 1 1 136 136 VAL CB C 136 31.416 31.416 31.939 -0.523 25852 11033 1 16 . 1 1 136 136 VAL H H 136 9.046 9.046 8.153 0.893 25852 11034 1 16 . 1 1 137 137 ASN N N 137 128.858 128.858 123.503 5.355 25852 11035 1 16 . 1 1 137 137 ASN HA H 137 5.226 5.226 4.889 0.337 25852 11036 1 16 . 1 1 137 137 ASN CA C 137 48.352 48.352 51.889 -3.537 25852 11037 1 16 . 1 1 137 137 ASN CB C 137 35.640 35.640 39.917 -4.277 25852 11038 1 16 . 1 1 137 137 ASN H H 137 9.458 9.458 8.758 0.700 25852 11039 1 16 . 1 1 138 138 TYR N N 138 118.481 118.481 120.599 -2.118 25852 11040 1 16 . 1 1 138 138 TYR HA H 138 3.603 3.603 4.090 -0.487 25852 11041 1 16 . 1 1 138 138 TYR CA C 138 59.669 59.669 62.449 -2.780 25852 11042 1 16 . 1 1 138 138 TYR CB C 138 37.572 37.572 38.441 -0.869 25852 11043 1 16 . 1 1 138 138 TYR H H 138 8.235 8.235 8.611 -0.376 25852 11044 1 16 . 1 1 139 139 GLU N N 139 118.474 118.474 118.544 -0.070 25852 11045 1 16 . 1 1 139 139 GLU HA H 139 3.868 3.868 3.897 -0.029 25852 11046 1 16 . 1 1 139 139 GLU CA C 139 57.540 57.540 59.556 -2.016 25852 11047 1 16 . 1 1 139 139 GLU CB C 139 26.274 26.274 28.707 -2.433 25852 11048 1 16 . 1 1 139 139 GLU H H 139 8.067 8.067 8.916 -0.849 25852 11049 1 16 . 1 1 140 140 GLU N N 140 119.279 119.279 118.441 0.838 25852 11050 1 16 . 1 1 140 140 GLU HA H 140 3.880 3.880 4.209 -0.329 25852 11051 1 16 . 1 1 140 140 GLU CA C 140 56.025 56.025 58.856 -2.831 25852 11052 1 16 . 1 1 140 140 GLU CB C 140 26.274 26.274 29.695 -3.421 25852 11053 1 16 . 1 1 140 140 GLU H H 140 8.742 8.742 8.520 0.222 25852 11054 1 16 . 1 1 141 141 PHE N N 141 124.141 124.141 118.272 5.869 25852 11055 1 16 . 1 1 141 141 PHE HA H 141 3.602 3.602 4.352 -0.750 25852 11056 1 16 . 1 1 141 141 PHE CA C 141 59.447 59.447 58.974 0.473 25852 11057 1 16 . 1 1 141 141 PHE CB C 141 37.686 37.686 38.595 -0.909 25852 11058 1 16 . 1 1 141 141 PHE H H 141 8.593 8.593 7.348 1.245 25852 11059 1 16 . 1 1 142 142 VAL N N 142 118.383 118.383 117.812 0.571 25852 11060 1 16 . 1 1 142 142 VAL HA H 142 2.986 2.986 3.808 -0.822 25852 11061 1 16 . 1 1 142 142 VAL CA C 142 64.432 64.432 65.850 -1.418 25852 11062 1 16 . 1 1 142 142 VAL CB C 142 28.908 28.908 31.750 -2.842 25852 11063 1 16 . 1 1 142 142 VAL H H 142 8.776 8.776 8.029 0.747 25852 11064 1 16 . 1 1 143 143 GLN N N 143 119.891 119.891 119.870 0.021 25852 11065 1 16 . 1 1 143 143 GLN HA H 143 3.671 3.671 4.003 -0.332 25852 11066 1 16 . 1 1 143 143 GLN CA C 143 56.514 56.514 58.811 -2.297 25852 11067 1 16 . 1 1 143 143 GLN CB C 143 25.246 25.246 28.237 -2.991 25852 11068 1 16 . 1 1 143 143 GLN H H 143 7.787 7.787 7.801 -0.014 25852 11069 1 16 . 1 1 144 144 MET N N 144 118.429 118.429 116.965 1.464 25852 11070 1 16 . 1 1 144 144 MET HA H 144 3.892 3.892 4.314 -0.422 25852 11071 1 16 . 1 1 144 144 MET CA C 144 55.683 55.683 57.190 -1.507 25852 11072 1 16 . 1 1 144 144 MET CB C 144 28.110 28.110 31.748 -3.638 25852 11073 1 16 . 1 1 144 144 MET H H 144 7.450 7.450 7.643 -0.193 25852 11074 1 16 . 1 1 145 145 MET N N 145 114.145 114.145 115.848 -1.703 25852 11075 1 16 . 1 1 145 145 MET HA H 145 3.905 3.905 4.532 -0.627 25852 11076 1 16 . 1 1 145 145 MET CA C 145 53.630 53.630 56.391 -2.761 25852 11077 1 16 . 1 1 145 145 MET CB C 145 29.592 29.592 32.280 -2.688 25852 11078 1 16 . 1 1 145 145 MET H H 145 7.724 7.724 7.954 -0.230 25852 11079 1 16 . 1 1 146 146 THR N N 146 108.482 108.482 113.833 -5.351 25852 11080 1 16 . 1 1 146 146 THR HA H 146 4.170 4.170 4.451 -0.281 25852 11081 1 16 . 1 1 146 146 THR CA C 146 59.251 59.251 62.434 -3.183 25852 11082 1 16 . 1 1 146 146 THR CB C 146 67.896 67.896 70.311 -2.416 25852 11083 1 16 . 1 1 146 146 THR H H 146 7.700 7.700 7.683 0.017 25852 11084 1 16 . 1 1 147 147 ALA N N 147 126.469 126.469 126.590 -0.121 25852 11085 1 16 . 1 1 147 147 ALA HA H 147 4.095 4.095 4.018 0.077 25852 11086 1 16 . 1 1 147 147 ALA CA C 147 50.307 50.307 54.337 -4.030 25852 11087 1 16 . 1 1 147 147 ALA CB C 147 16.336 16.336 19.099 -2.763 25852 11088 1 16 . 1 1 147 147 ALA H H 147 7.291 7.291 8.833 -1.542 25852 11089 1 17 . 1 1 3 3 GLN N N 3 118.120 118.120 116.666 1.454 25852 11090 1 17 . 1 1 3 3 GLN HA H 3 4.688 4.688 4.312 0.376 25852 11091 1 17 . 1 1 3 3 GLN CA C 3 53.500 53.500 55.003 -1.503 25852 11092 1 17 . 1 1 3 3 GLN CB C 3 29.475 29.475 31.604 -2.129 25852 11093 1 17 . 1 1 3 3 GLN H H 3 8.134 8.134 7.635 0.499 25852 11094 1 17 . 1 1 4 4 LEU N N 4 121.407 121.407 121.019 0.388 25852 11095 1 17 . 1 1 4 4 LEU HA H 4 4.460 4.460 4.704 -0.244 25852 11096 1 17 . 1 1 4 4 LEU CA C 4 51.650 51.650 54.571 -2.921 25852 11097 1 17 . 1 1 4 4 LEU CB C 4 40.715 40.715 41.626 -0.911 25852 11098 1 17 . 1 1 4 4 LEU H H 4 8.202 8.202 8.326 -0.124 25852 11099 1 17 . 1 1 5 5 THR N N 5 112.733 112.733 109.914 2.819 25852 11100 1 17 . 1 1 5 5 THR HA H 5 4.265 4.265 4.468 -0.203 25852 11101 1 17 . 1 1 5 5 THR CA C 5 59.433 59.433 60.428 -0.995 25852 11102 1 17 . 1 1 5 5 THR CB C 5 67.475 67.475 70.116 -2.641 25852 11103 1 17 . 1 1 5 5 THR H H 5 8.691 8.691 7.688 1.003 25852 11104 1 17 . 1 1 6 6 GLU N N 6 119.971 119.971 120.625 -0.654 25852 11105 1 17 . 1 1 6 6 GLU HA H 6 3.854 3.854 4.002 -0.148 25852 11106 1 17 . 1 1 6 6 GLU CA C 6 56.756 56.756 59.556 -2.800 25852 11107 1 17 . 1 1 6 6 GLU CB C 6 26.508 26.508 29.368 -2.860 25852 11108 1 17 . 1 1 6 6 GLU H H 6 8.953 8.953 8.909 0.044 25852 11109 1 17 . 1 1 7 7 GLU N N 7 119.133 119.133 117.151 1.982 25852 11110 1 17 . 1 1 7 7 GLU HA H 7 3.898 3.898 3.985 -0.087 25852 11111 1 17 . 1 1 7 7 GLU CA C 7 56.756 56.756 58.887 -2.131 25852 11112 1 17 . 1 1 7 7 GLU CB C 7 26.279 26.279 28.898 -2.619 25852 11113 1 17 . 1 1 7 7 GLU H H 7 8.653 8.653 8.481 0.172 25852 11114 1 17 . 1 1 8 8 GLN N N 8 120.207 120.207 119.589 0.618 25852 11115 1 17 . 1 1 8 8 GLN HA H 8 3.957 3.957 4.226 -0.269 25852 11116 1 17 . 1 1 8 8 GLN CA C 8 57.099 57.099 58.533 -1.434 25852 11117 1 17 . 1 1 8 8 GLN CB C 8 26.737 26.737 28.613 -1.876 25852 11118 1 17 . 1 1 8 8 GLN H H 8 7.645 7.645 7.726 -0.081 25852 11119 1 17 . 1 1 9 9 ILE N N 9 118.171 118.171 120.439 -2.268 25852 11120 1 17 . 1 1 9 9 ILE HA H 9 3.354 3.354 3.576 -0.222 25852 11121 1 17 . 1 1 9 9 ILE CA C 9 62.714 62.714 64.810 -2.096 25852 11122 1 17 . 1 1 9 9 ILE CB C 9 35.216 35.216 37.849 -2.633 25852 11123 1 17 . 1 1 9 9 ILE H H 9 8.153 8.153 7.306 0.847 25852 11124 1 17 . 1 1 10 10 ALA N N 10 120.124 120.124 120.692 -0.568 25852 11125 1 17 . 1 1 10 10 ALA HA H 10 3.966 3.966 4.246 -0.280 25852 11126 1 17 . 1 1 10 10 ALA CA C 10 52.746 52.746 54.758 -2.013 25852 11127 1 17 . 1 1 10 10 ALA CB C 10 15.165 15.165 18.819 -3.654 25852 11128 1 17 . 1 1 10 10 ALA H H 10 7.835 7.835 8.314 -0.479 25852 11129 1 17 . 1 1 11 11 GLU N N 11 119.983 119.983 116.128 3.855 25852 11130 1 17 . 1 1 11 11 GLU HA H 11 3.904 3.904 4.876 -0.972 25852 11131 1 17 . 1 1 11 11 GLU CA C 11 56.560 56.560 57.024 -0.464 25852 11132 1 17 . 1 1 11 11 GLU CB C 11 27.425 27.425 31.375 -3.950 25852 11133 1 17 . 1 1 11 11 GLU H H 11 7.706 7.706 7.843 -0.137 25852 11134 1 17 . 1 1 12 12 PHE N N 12 119.907 119.907 120.062 -0.155 25852 11135 1 17 . 1 1 12 12 PHE HA H 12 4.726 4.726 4.517 0.209 25852 11136 1 17 . 1 1 12 12 PHE CA C 12 55.839 55.839 59.748 -3.909 25852 11137 1 17 . 1 1 12 12 PHE CB C 12 33.955 33.955 38.659 -4.704 25852 11138 1 17 . 1 1 12 12 PHE H H 12 8.728 8.728 8.852 -0.124 25852 11139 1 17 . 1 1 13 13 LYS N N 13 121.208 121.208 120.022 1.186 25852 11140 1 17 . 1 1 13 13 LYS HA H 13 3.904 3.904 3.575 0.329 25852 11141 1 17 . 1 1 13 13 LYS CA C 13 57.290 57.290 58.807 -1.517 25852 11142 1 17 . 1 1 13 13 LYS CB C 13 30.174 30.174 32.566 -2.392 25852 11143 1 17 . 1 1 13 13 LYS H H 13 9.161 9.161 8.076 1.085 25852 11144 1 17 . 1 1 14 14 GLU N N 14 120.226 120.226 120.036 0.190 25852 11145 1 17 . 1 1 14 14 GLU HA H 14 3.953 3.953 4.217 -0.264 25852 11146 1 17 . 1 1 14 14 GLU CA C 14 56.460 56.460 58.545 -2.085 25852 11147 1 17 . 1 1 14 14 GLU CB C 14 26.623 26.623 29.505 -2.882 25852 11148 1 17 . 1 1 14 14 GLU H H 14 7.980 7.980 8.066 -0.086 25852 11149 1 17 . 1 1 15 15 ALA N N 15 120.572 120.572 122.147 -1.575 25852 11150 1 17 . 1 1 15 15 ALA HA H 15 4.170 4.170 4.234 -0.064 25852 11151 1 17 . 1 1 15 15 ALA CA C 15 52.750 52.750 54.961 -2.211 25852 11152 1 17 . 1 1 15 15 ALA CB C 15 16.425 16.425 18.873 -2.448 25852 11153 1 17 . 1 1 15 15 ALA H H 15 7.563 7.563 8.666 -1.103 25852 11154 1 17 . 1 1 16 16 PHE N N 16 117.784 117.784 116.948 0.836 25852 11155 1 17 . 1 1 16 16 PHE HA H 16 3.904 3.904 4.711 -0.807 25852 11156 1 17 . 1 1 16 16 PHE CA C 16 59.540 59.540 59.364 0.176 25852 11157 1 17 . 1 1 16 16 PHE CB C 16 36.820 36.820 40.108 -3.288 25852 11158 1 17 . 1 1 16 16 PHE H H 16 8.453 8.453 7.684 0.769 25852 11159 1 17 . 1 1 17 17 SER N N 17 110.774 110.774 116.267 -5.493 25852 11160 1 17 . 1 1 17 17 SER HA H 17 4.086 4.086 4.073 0.013 25852 11161 1 17 . 1 1 17 17 SER CA C 17 58.560 58.560 60.539 -1.979 25852 11162 1 17 . 1 1 17 17 SER CB C 17 60.651 60.651 63.163 -2.512 25852 11163 1 17 . 1 1 17 17 SER H H 17 8.351 8.351 7.853 0.498 25852 11164 1 17 . 1 1 18 18 LEU N N 18 120.947 120.947 121.861 -0.914 25852 11165 1 17 . 1 1 18 18 LEU HA H 18 3.614 3.614 4.076 -0.462 25852 11166 1 17 . 1 1 18 18 LEU CA C 18 55.839 55.839 58.336 -2.497 25852 11167 1 17 . 1 1 18 18 LEU CB C 18 39.111 39.111 42.544 -3.433 25852 11168 1 17 . 1 1 18 18 LEU H H 18 7.278 7.278 8.102 -0.824 25852 11169 1 17 . 1 1 19 19 PHE N N 19 114.458 114.458 115.055 -0.597 25852 11170 1 17 . 1 1 19 19 PHE HA H 19 3.904 3.904 4.505 -0.601 25852 11171 1 17 . 1 1 19 19 PHE CA C 19 56.870 56.870 57.704 -0.834 25852 11172 1 17 . 1 1 19 19 PHE CB C 19 33.841 33.841 41.939 -8.098 25852 11173 1 17 . 1 1 19 19 PHE H H 19 7.304 7.304 7.512 -0.208 25852 11174 1 17 . 1 1 20 20 ASP N N 20 122.233 122.233 122.935 -0.702 25852 11175 1 17 . 1 1 20 20 ASP HA H 20 4.874 4.874 4.724 0.150 25852 11176 1 17 . 1 1 20 20 ASP CA C 20 50.454 50.454 53.513 -3.059 25852 11177 1 17 . 1 1 20 20 ASP CB C 20 37.622 37.622 39.318 -1.696 25852 11178 1 17 . 1 1 20 20 ASP H H 20 7.233 7.233 8.094 -0.861 25852 11179 1 17 . 1 1 21 21 LYS N N 21 123.433 123.433 122.358 1.075 25852 11180 1 17 . 1 1 21 21 LYS HA H 21 3.771 3.771 4.046 -0.275 25852 11181 1 17 . 1 1 21 21 LYS CA C 21 56.025 56.025 58.429 -2.404 25852 11182 1 17 . 1 1 21 21 LYS CB C 21 29.601 29.601 32.377 -2.776 25852 11183 1 17 . 1 1 21 21 LYS H H 21 8.007 8.007 7.617 0.390 25852 11184 1 17 . 1 1 22 22 ASP N N 22 116.890 116.890 118.741 -1.851 25852 11185 1 17 . 1 1 22 22 ASP HA H 22 4.400 4.400 4.537 -0.137 25852 11186 1 17 . 1 1 22 22 ASP CA C 22 50.683 50.683 54.511 -3.828 25852 11187 1 17 . 1 1 22 22 ASP CB C 22 37.049 37.049 41.074 -4.025 25852 11188 1 17 . 1 1 22 22 ASP H H 22 8.641 8.641 8.222 0.419 25852 11189 1 17 . 1 1 23 23 GLY N N 23 110.068 110.068 106.533 3.535 25852 11190 1 17 . 1 1 23 23 GLY CA C 23 43.745 43.745 45.271 -1.526 25852 11191 1 17 . 1 1 23 23 GLY H H 23 7.938 7.938 8.102 -0.164 25852 11192 1 17 . 1 1 24 24 ASP N N 24 120.219 120.219 119.899 0.320 25852 11193 1 17 . 1 1 24 24 ASP HA H 24 4.367 4.367 4.745 -0.378 25852 11194 1 17 . 1 1 24 24 ASP CA C 24 51.040 51.040 54.082 -3.042 25852 11195 1 17 . 1 1 24 24 ASP CB C 24 37.438 37.438 40.840 -3.402 25852 11196 1 17 . 1 1 24 24 ASP H H 24 8.723 8.723 8.050 0.673 25852 11197 1 17 . 1 1 25 25 GLY N N 25 111.889 111.889 108.969 2.920 25852 11198 1 17 . 1 1 25 25 GLY CA C 25 42.680 42.680 46.823 -4.143 25852 11199 1 17 . 1 1 25 25 GLY H H 25 10.132 10.132 8.902 1.230 25852 11200 1 17 . 1 1 26 26 THR N N 26 109.844 109.844 116.601 -6.757 25852 11201 1 17 . 1 1 26 26 THR HA H 26 5.386 5.386 5.051 0.335 25852 11202 1 17 . 1 1 26 26 THR CA C 26 56.950 56.950 61.143 -4.193 25852 11203 1 17 . 1 1 26 26 THR CB C 26 70.234 70.234 70.998 -0.763 25852 11204 1 17 . 1 1 26 26 THR H H 26 7.507 7.507 8.145 -0.638 25852 11205 1 17 . 1 1 27 27 ILE N N 27 110.289 110.289 116.697 -6.408 25852 11206 1 17 . 1 1 27 27 ILE HA H 27 3.891 3.891 4.907 -1.016 25852 11207 1 17 . 1 1 27 27 ILE CA C 27 58.360 58.360 58.851 -0.491 25852 11208 1 17 . 1 1 27 27 ILE CB C 27 35.559 35.559 41.890 -6.331 25852 11209 1 17 . 1 1 27 27 ILE H H 27 8.191 8.191 9.031 -0.840 25852 11210 1 17 . 1 1 28 28 THR N N 28 110.507 110.507 114.360 -3.853 25852 11211 1 17 . 1 1 28 28 THR HA H 28 4.895 4.895 4.392 0.503 25852 11212 1 17 . 1 1 28 28 THR CA C 28 57.787 57.787 62.194 -4.407 25852 11213 1 17 . 1 1 28 28 THR CB C 28 68.099 68.099 69.074 -0.975 25852 11214 1 17 . 1 1 28 28 THR H H 28 8.265 8.265 8.001 0.264 25852 11215 1 17 . 1 1 29 29 THR N N 29 112.331 112.331 114.640 -2.309 25852 11216 1 17 . 1 1 29 29 THR HA H 29 3.941 3.941 4.095 -0.154 25852 11217 1 17 . 1 1 29 29 THR CA C 29 63.840 63.840 64.957 -1.117 25852 11218 1 17 . 1 1 29 29 THR CB C 29 65.807 65.807 69.039 -3.232 25852 11219 1 17 . 1 1 29 29 THR H H 29 8.225 8.225 8.296 -0.071 25852 11220 1 17 . 1 1 30 30 LYS N N 30 118.985 118.985 120.396 -1.411 25852 11221 1 17 . 1 1 30 30 LYS HA H 30 3.965 3.965 4.014 -0.049 25852 11222 1 17 . 1 1 30 30 LYS CA C 30 55.839 55.839 58.602 -2.763 25852 11223 1 17 . 1 1 30 30 LYS CB C 30 29.372 29.372 32.008 -2.636 25852 11224 1 17 . 1 1 30 30 LYS H H 30 7.559 7.559 8.594 -1.035 25852 11225 1 17 . 1 1 31 31 GLU N N 31 117.233 117.233 114.978 2.255 25852 11226 1 17 . 1 1 31 31 GLU HA H 31 3.965 3.965 4.254 -0.289 25852 11227 1 17 . 1 1 31 31 GLU CA C 31 57.140 57.140 56.947 0.193 25852 11228 1 17 . 1 1 31 31 GLU CB C 31 26.393 26.393 30.071 -3.678 25852 11229 1 17 . 1 1 31 31 GLU H H 31 7.431 7.431 7.610 -0.179 25852 11230 1 17 . 1 1 32 32 LEU N N 32 120.701 120.701 122.705 -2.004 25852 11231 1 17 . 1 1 32 32 LEU HA H 32 3.880 3.880 3.941 -0.061 25852 11232 1 17 . 1 1 32 32 LEU CA C 32 55.520 55.520 57.593 -2.073 25852 11233 1 17 . 1 1 32 32 LEU CB C 32 39.226 39.226 41.304 -2.078 25852 11234 1 17 . 1 1 32 32 LEU H H 32 7.270 7.270 7.566 -0.296 25852 11235 1 17 . 1 1 33 33 GLY N N 33 105.217 105.217 105.262 -0.045 25852 11236 1 17 . 1 1 33 33 GLY CA C 33 45.642 45.642 47.575 -1.933 25852 11237 1 17 . 1 1 33 33 GLY H H 33 8.737 8.737 8.155 0.582 25852 11238 1 17 . 1 1 34 34 THR N N 34 118.196 118.196 118.946 -0.750 25852 11239 1 17 . 1 1 34 34 THR HA H 34 3.916 3.916 4.065 -0.149 25852 11240 1 17 . 1 1 34 34 THR CA C 34 63.859 63.859 66.841 -2.982 25852 11241 1 17 . 1 1 34 34 THR CB C 34 65.807 65.807 68.577 -2.770 25852 11242 1 17 . 1 1 34 34 THR H H 34 7.446 7.446 7.687 -0.241 25852 11243 1 17 . 1 1 35 35 VAL N N 35 122.546 122.546 121.584 0.962 25852 11244 1 17 . 1 1 35 35 VAL HA H 35 3.373 3.373 3.836 -0.463 25852 11245 1 17 . 1 1 35 35 VAL CA C 35 64.088 64.088 66.092 -2.004 25852 11246 1 17 . 1 1 35 35 VAL CB C 35 28.799 28.799 31.194 -2.395 25852 11247 1 17 . 1 1 35 35 VAL H H 35 7.889 7.889 7.774 0.115 25852 11248 1 17 . 1 1 36 36 MET N N 36 118.307 118.307 118.184 0.123 25852 11249 1 17 . 1 1 36 36 MET HA H 36 3.880 3.880 4.042 -0.162 25852 11250 1 17 . 1 1 36 36 MET CA C 36 56.870 56.870 59.042 -2.172 25852 11251 1 17 . 1 1 36 36 MET CB C 36 26.279 26.279 32.915 -6.636 25852 11252 1 17 . 1 1 36 36 MET H H 36 8.386 8.386 7.875 0.511 25852 11253 1 17 . 1 1 37 37 ARG N N 37 119.233 119.233 119.025 0.208 25852 11254 1 17 . 1 1 37 37 ARG HA H 37 3.904 3.904 4.570 -0.666 25852 11255 1 17 . 1 1 37 37 ARG CA C 37 56.170 56.170 58.733 -2.562 25852 11256 1 17 . 1 1 37 37 ARG CB C 37 27.310 27.310 30.268 -2.958 25852 11257 1 17 . 1 1 37 37 ARG H H 37 8.451 8.451 8.327 0.124 25852 11258 1 17 . 1 1 38 38 SER N N 38 118.720 118.720 116.865 1.855 25852 11259 1 17 . 1 1 38 38 SER HA H 38 4.176 4.176 4.271 -0.095 25852 11260 1 17 . 1 1 38 38 SER CA C 38 59.250 59.250 61.373 -2.123 25852 11261 1 17 . 1 1 38 38 SER CB C 38 67.411 67.411 62.791 4.620 25852 11262 1 17 . 1 1 38 38 SER H H 38 8.040 8.040 8.205 -0.165 25852 11263 1 17 . 1 1 39 39 LEU N N 39 120.896 120.896 119.814 1.082 25852 11264 1 17 . 1 1 39 39 LEU HA H 39 4.460 4.460 4.431 0.029 25852 11265 1 17 . 1 1 39 39 LEU CA C 39 51.330 51.330 55.071 -3.741 25852 11266 1 17 . 1 1 39 39 LEU CB C 39 40.257 40.257 42.243 -1.986 25852 11267 1 17 . 1 1 39 39 LEU H H 39 7.263 7.263 7.395 -0.132 25852 11268 1 17 . 1 1 40 40 GLY N N 40 106.917 106.917 106.873 0.044 25852 11269 1 17 . 1 1 40 40 GLY CA C 40 42.880 42.880 44.664 -1.784 25852 11270 1 17 . 1 1 40 40 GLY H H 40 7.841 7.841 7.935 -0.094 25852 11271 1 17 . 1 1 41 41 GLN N N 41 117.171 117.171 120.285 -3.114 25852 11272 1 17 . 1 1 41 41 GLN HA H 41 4.243 4.243 4.244 -0.001 25852 11273 1 17 . 1 1 41 41 GLN CA C 41 52.631 52.631 55.547 -2.916 25852 11274 1 17 . 1 1 41 41 GLN CB C 41 30.747 30.747 29.722 1.025 25852 11275 1 17 . 1 1 41 41 GLN H H 41 7.687 7.687 7.669 0.018 25852 11276 1 17 . 1 1 42 42 ASN N N 42 116.423 116.423 121.413 -4.990 25852 11277 1 17 . 1 1 42 42 ASN HA H 42 5.016 5.016 5.024 -0.008 25852 11278 1 17 . 1 1 42 42 ASN CA C 42 48.640 48.640 50.355 -1.714 25852 11279 1 17 . 1 1 42 42 ASN CB C 42 36.591 36.591 38.905 -2.314 25852 11280 1 17 . 1 1 42 42 ASN H H 42 8.601 8.601 8.727 -0.126 25852 11281 1 17 . 1 1 44 44 THR N N 44 113.033 113.033 114.792 -1.759 25852 11282 1 17 . 1 1 44 44 THR HA H 44 4.279 4.279 4.574 -0.295 25852 11283 1 17 . 1 1 44 44 THR CA C 44 57.640 57.640 60.566 -2.926 25852 11284 1 17 . 1 1 44 44 THR CB C 44 68.328 68.328 70.346 -2.018 25852 11285 1 17 . 1 1 44 44 THR H H 44 8.711 8.711 7.949 0.762 25852 11286 1 17 . 1 1 45 45 GLU N N 45 120.233 120.233 122.227 -1.994 25852 11287 1 17 . 1 1 45 45 GLU HA H 45 3.892 3.892 4.198 -0.306 25852 11288 1 17 . 1 1 45 45 GLU CA C 45 56.756 56.756 58.607 -1.851 25852 11289 1 17 . 1 1 45 45 GLU CB C 45 26.393 26.393 29.431 -3.038 25852 11290 1 17 . 1 1 45 45 GLU H H 45 8.781 8.781 8.854 -0.073 25852 11291 1 17 . 1 1 46 46 ALA N N 46 120.833 120.833 122.396 -1.563 25852 11292 1 17 . 1 1 46 46 ALA HA H 46 3.868 3.868 4.214 -0.346 25852 11293 1 17 . 1 1 46 46 ALA CA C 46 52.310 52.310 54.697 -2.387 25852 11294 1 17 . 1 1 46 46 ALA CB C 46 15.394 15.394 18.450 -3.056 25852 11295 1 17 . 1 1 46 46 ALA H H 46 8.251 8.251 8.125 0.126 25852 11296 1 17 . 1 1 47 47 GLU N N 47 118.672 118.672 118.576 0.096 25852 11297 1 17 . 1 1 47 47 GLU HA H 47 3.965 3.965 4.186 -0.221 25852 11298 1 17 . 1 1 47 47 GLU CA C 47 56.641 56.641 58.660 -2.019 25852 11299 1 17 . 1 1 47 47 GLU CB C 47 26.623 26.623 29.321 -2.698 25852 11300 1 17 . 1 1 47 47 GLU H H 47 7.668 7.668 8.551 -0.883 25852 11301 1 17 . 1 1 48 48 LEU N N 48 119.645 119.645 119.060 0.585 25852 11302 1 17 . 1 1 48 48 LEU HA H 48 3.892 3.892 4.114 -0.222 25852 11303 1 17 . 1 1 48 48 LEU CA C 48 55.610 55.610 57.684 -2.074 25852 11304 1 17 . 1 1 48 48 LEU CB C 48 39.340 39.340 41.427 -2.087 25852 11305 1 17 . 1 1 48 48 LEU H H 48 8.244 8.244 7.646 0.598 25852 11306 1 17 . 1 1 49 49 GLN N N 49 117.446 117.446 117.088 0.358 25852 11307 1 17 . 1 1 49 49 GLN HA H 49 3.892 3.892 4.254 -0.362 25852 11308 1 17 . 1 1 49 49 GLN CA C 49 56.756 56.756 57.666 -0.910 25852 11309 1 17 . 1 1 49 49 GLN CB C 49 26.508 26.508 28.881 -2.373 25852 11310 1 17 . 1 1 49 49 GLN H H 49 7.980 7.980 7.747 0.233 25852 11311 1 17 . 1 1 50 50 ASP N N 50 118.733 118.733 120.787 -2.054 25852 11312 1 17 . 1 1 50 50 ASP HA H 50 4.267 4.267 4.553 -0.286 25852 11313 1 17 . 1 1 50 50 ASP CA C 50 54.700 54.700 56.992 -2.292 25852 11314 1 17 . 1 1 50 50 ASP CB C 50 37.622 37.622 41.283 -3.661 25852 11315 1 17 . 1 1 50 50 ASP H H 50 7.761 7.761 7.643 0.118 25852 11316 1 17 . 1 1 51 51 MET N N 51 118.996 118.996 118.194 0.802 25852 11317 1 17 . 1 1 51 51 MET HA H 51 3.892 3.892 4.440 -0.548 25852 11318 1 17 . 1 1 51 51 MET CA C 51 56.560 56.560 57.021 -0.461 25852 11319 1 17 . 1 1 51 51 MET CB C 51 29.601 29.601 32.616 -3.015 25852 11320 1 17 . 1 1 51 51 MET H H 51 7.900 7.900 8.522 -0.622 25852 11321 1 17 . 1 1 52 52 ILE N N 52 118.833 118.833 120.056 -1.223 25852 11322 1 17 . 1 1 52 52 ILE HA H 52 3.348 3.348 3.864 -0.516 25852 11323 1 17 . 1 1 52 52 ILE CA C 52 62.484 62.484 63.810 -1.326 25852 11324 1 17 . 1 1 52 52 ILE CB C 52 35.330 35.330 37.625 -2.295 25852 11325 1 17 . 1 1 52 52 ILE H H 52 8.261 8.261 7.651 0.610 25852 11326 1 17 . 1 1 53 53 ASN N N 53 117.296 117.296 116.240 1.056 25852 11327 1 17 . 1 1 53 53 ASN HA H 53 4.243 4.243 4.522 -0.279 25852 11328 1 17 . 1 1 53 53 ASN CA C 53 53.090 53.090 55.779 -2.689 25852 11329 1 17 . 1 1 53 53 ASN CB C 53 35.330 35.330 38.869 -3.539 25852 11330 1 17 . 1 1 53 53 ASN H H 53 8.186 8.186 7.521 0.665 25852 11331 1 17 . 1 1 54 54 GLU N N 54 117.133 117.133 118.177 -1.044 25852 11332 1 17 . 1 1 54 54 GLU HA H 54 3.965 3.965 4.295 -0.330 25852 11333 1 17 . 1 1 54 54 GLU CA C 54 56.412 56.412 58.072 -1.660 25852 11334 1 17 . 1 1 54 54 GLU CB C 54 26.508 26.508 30.518 -4.011 25852 11335 1 17 . 1 1 54 54 GLU H H 54 7.501 7.501 7.671 -0.170 25852 11336 1 17 . 1 1 55 55 VAL N N 55 112.928 112.928 118.759 -5.831 25852 11337 1 17 . 1 1 55 55 VAL HA H 55 4.194 4.194 3.927 0.267 25852 11338 1 17 . 1 1 55 55 VAL CA C 55 59.505 59.505 66.117 -6.612 25852 11339 1 17 . 1 1 55 55 VAL CB C 55 30.174 30.174 32.421 -2.247 25852 11340 1 17 . 1 1 55 55 VAL H H 55 7.575 7.575 8.244 -0.669 25852 11341 1 17 . 1 1 56 56 ASP N N 56 121.771 121.771 119.521 2.250 25852 11342 1 17 . 1 1 56 56 ASP HA H 56 4.388 4.388 4.490 -0.102 25852 11343 1 17 . 1 1 56 56 ASP CA C 56 50.990 50.990 53.923 -2.933 25852 11344 1 17 . 1 1 56 56 ASP CB C 56 36.820 36.820 39.507 -2.687 25852 11345 1 17 . 1 1 56 56 ASP H H 56 8.401 8.401 8.171 0.230 25852 11346 1 17 . 1 1 57 57 ALA N N 57 124.771 124.771 121.160 3.611 25852 11347 1 17 . 1 1 57 57 ALA HA H 57 4.001 4.001 4.272 -0.271 25852 11348 1 17 . 1 1 57 57 ALA CA C 57 52.402 52.402 53.462 -1.060 25852 11349 1 17 . 1 1 57 57 ALA CB C 57 15.280 15.280 19.024 -3.744 25852 11350 1 17 . 1 1 57 57 ALA H H 57 8.097 8.097 8.161 -0.064 25852 11351 1 17 . 1 1 58 58 ASP N N 58 114.518 114.518 119.689 -5.171 25852 11352 1 17 . 1 1 58 58 ASP HA H 58 4.400 4.400 4.590 -0.190 25852 11353 1 17 . 1 1 58 58 ASP CA C 58 50.798 50.798 54.544 -3.746 25852 11354 1 17 . 1 1 58 58 ASP CB C 58 36.934 36.934 41.501 -4.567 25852 11355 1 17 . 1 1 58 58 ASP H H 58 8.376 8.376 7.958 0.418 25852 11356 1 17 . 1 1 59 59 GLY N N 59 108.798 108.798 107.868 0.930 25852 11357 1 17 . 1 1 59 59 GLY CA C 59 44.490 44.490 45.328 -0.838 25852 11358 1 17 . 1 1 59 59 GLY H H 59 7.827 7.827 8.451 -0.624 25852 11359 1 17 . 1 1 60 60 ASN N N 60 119.696 119.696 117.988 1.708 25852 11360 1 17 . 1 1 60 60 ASN HA H 60 4.688 4.688 4.799 -0.111 25852 11361 1 17 . 1 1 60 60 ASN CA C 60 51.943 51.943 52.769 -0.826 25852 11362 1 17 . 1 1 60 60 ASN CB C 60 38.424 38.424 39.425 -1.001 25852 11363 1 17 . 1 1 60 60 ASN H H 60 9.253 9.253 8.365 0.888 25852 11364 1 17 . 1 1 61 61 GLY N N 61 110.108 110.108 109.513 0.595 25852 11365 1 17 . 1 1 61 61 GLY CA C 61 42.870 42.870 46.167 -3.297 25852 11366 1 17 . 1 1 61 61 GLY H H 61 10.004 10.004 8.032 1.972 25852 11367 1 17 . 1 1 62 62 THR N N 62 110.533 110.533 112.493 -1.960 25852 11368 1 17 . 1 1 62 62 THR HA H 62 4.629 4.629 5.015 -0.386 25852 11369 1 17 . 1 1 62 62 THR CA C 62 59.162 59.162 60.851 -1.689 25852 11370 1 17 . 1 1 62 62 THR CB C 62 67.526 67.526 72.754 -5.228 25852 11371 1 17 . 1 1 62 62 THR H H 62 7.481 7.481 7.399 0.082 25852 11372 1 17 . 1 1 63 63 ILE N N 63 118.533 118.533 123.720 -5.187 25852 11373 1 17 . 1 1 63 63 ILE HA H 63 3.783 3.783 4.459 -0.676 25852 11374 1 17 . 1 1 63 63 ILE CA C 63 60.537 60.537 59.119 1.418 25852 11375 1 17 . 1 1 63 63 ILE CB C 63 36.018 36.018 41.230 -5.212 25852 11376 1 17 . 1 1 63 63 ILE H H 63 8.820 8.820 9.164 -0.344 25852 11377 1 17 . 1 1 64 64 ASP N N 64 122.928 122.928 125.110 -2.182 25852 11378 1 17 . 1 1 64 64 ASP HA H 64 4.327 4.327 4.875 -0.548 25852 11379 1 17 . 1 1 64 64 ASP CA C 64 51.027 51.027 53.300 -2.273 25852 11380 1 17 . 1 1 64 64 ASP CB C 64 37.278 37.278 41.946 -4.668 25852 11381 1 17 . 1 1 64 64 ASP H H 64 8.380 8.380 8.627 -0.247 25852 11382 1 17 . 1 1 65 65 PHE N N 65 118.559 118.559 116.042 2.517 25852 11383 1 17 . 1 1 65 65 PHE HA H 65 3.880 3.880 3.439 0.441 25852 11384 1 17 . 1 1 65 65 PHE CA C 65 56.870 56.870 59.977 -3.107 25852 11385 1 17 . 1 1 65 65 PHE CB C 65 33.497 33.497 36.178 -2.681 25852 11386 1 17 . 1 1 65 65 PHE H H 65 8.559 8.559 7.658 0.901 25852 11387 1 17 . 1 1 67 67 GLU N N 67 117.546 117.546 115.991 1.555 25852 11388 1 17 . 1 1 67 67 GLU HA H 67 3.904 3.904 4.150 -0.246 25852 11389 1 17 . 1 1 67 67 GLU CA C 67 56.870 56.870 58.411 -1.541 25852 11390 1 17 . 1 1 67 67 GLU CB C 67 26.623 26.623 30.198 -3.575 25852 11391 1 17 . 1 1 67 67 GLU H H 67 7.995 7.995 7.934 0.061 25852 11392 1 17 . 1 1 68 68 PHE N N 68 122.032 122.032 115.560 6.472 25852 11393 1 17 . 1 1 68 68 PHE HA H 68 3.904 3.904 4.675 -0.771 25852 11394 1 17 . 1 1 68 68 PHE CA C 68 59.047 59.047 57.760 1.287 25852 11395 1 17 . 1 1 68 68 PHE CB C 68 36.934 36.934 38.161 -1.227 25852 11396 1 17 . 1 1 68 68 PHE H H 68 8.377 8.377 7.041 1.336 25852 11397 1 17 . 1 1 69 69 LEU N N 69 118.488 118.488 121.034 -2.546 25852 11398 1 17 . 1 1 69 69 LEU HA H 69 3.179 3.179 4.141 -0.962 25852 11399 1 17 . 1 1 69 69 LEU CA C 69 55.158 55.158 58.130 -2.972 25852 11400 1 17 . 1 1 69 69 LEU CB C 69 38.195 38.195 41.439 -3.244 25852 11401 1 17 . 1 1 69 69 LEU H H 69 8.393 8.393 7.465 0.928 25852 11402 1 17 . 1 1 70 70 THR N N 70 115.208 115.208 115.206 0.002 25852 11403 1 17 . 1 1 70 70 THR HA H 70 3.638 3.638 3.914 -0.276 25852 11404 1 17 . 1 1 70 70 THR CA C 70 63.630 63.630 66.159 -2.529 25852 11405 1 17 . 1 1 70 70 THR CB C 70 65.578 65.578 68.475 -2.897 25852 11406 1 17 . 1 1 70 70 THR H H 70 7.658 7.658 8.017 -0.359 25852 11407 1 17 . 1 1 71 71 MET N N 71 121.221 121.221 119.518 1.703 25852 11408 1 17 . 1 1 71 71 MET HA H 71 3.892 3.892 4.271 -0.379 25852 11409 1 17 . 1 1 71 71 MET CA C 71 56.303 56.303 58.638 -2.335 25852 11410 1 17 . 1 1 71 71 MET CB C 71 29.831 29.831 32.600 -2.769 25852 11411 1 17 . 1 1 71 71 MET H H 71 7.653 7.653 7.493 0.160 25852 11412 1 17 . 1 1 72 72 MET N N 72 117.459 117.459 117.845 -0.386 25852 11413 1 17 . 1 1 72 72 MET HA H 72 3.892 3.892 4.414 -0.522 25852 11414 1 17 . 1 1 72 72 MET CA C 72 53.777 53.777 57.603 -3.826 25852 11415 1 17 . 1 1 72 72 MET CB C 72 29.029 29.029 32.821 -3.792 25852 11416 1 17 . 1 1 72 72 MET H H 72 7.956 7.956 7.709 0.247 25852 11417 1 17 . 1 1 73 73 ALA N N 73 120.856 120.856 121.082 -0.226 25852 11418 1 17 . 1 1 73 73 ALA HA H 73 3.868 3.868 4.229 -0.361 25852 11419 1 17 . 1 1 73 73 ALA CA C 73 52.402 52.402 54.688 -2.286 25852 11420 1 17 . 1 1 73 73 ALA CB C 73 15.280 15.280 18.988 -3.708 25852 11421 1 17 . 1 1 73 73 ALA H H 73 8.230 8.230 8.335 -0.105 25852 11422 1 17 . 1 1 74 74 ARG N N 74 116.530 116.530 117.196 -0.666 25852 11423 1 17 . 1 1 74 74 ARG HA H 74 3.892 3.892 4.206 -0.314 25852 11424 1 17 . 1 1 74 74 ARG CA C 74 56.297 56.297 58.079 -1.782 25852 11425 1 17 . 1 1 74 74 ARG CB C 74 27.997 27.997 29.335 -1.338 25852 11426 1 17 . 1 1 74 74 ARG H H 74 7.409 7.409 7.781 -0.372 25852 11427 1 17 . 1 1 75 75 LYS N N 75 118.008 118.008 120.061 -2.053 25852 11428 1 17 . 1 1 75 75 LYS HA H 75 3.965 3.965 4.145 -0.180 25852 11429 1 17 . 1 1 75 75 LYS CA C 75 55.495 55.495 58.743 -3.248 25852 11430 1 17 . 1 1 75 75 LYS CB C 75 26.279 26.279 32.505 -6.226 25852 11431 1 17 . 1 1 75 75 LYS H H 75 7.657 7.657 7.725 -0.068 25852 11432 1 17 . 1 1 76 76 MET N N 76 117.646 117.646 112.930 4.716 25852 11433 1 17 . 1 1 76 76 MET HA H 76 4.146 4.146 4.655 -0.509 25852 11434 1 17 . 1 1 76 76 MET CA C 76 53.947 53.947 56.549 -2.602 25852 11435 1 17 . 1 1 76 76 MET CB C 76 29.487 29.487 34.529 -5.042 25852 11436 1 17 . 1 1 76 76 MET H H 76 7.883 7.883 7.380 0.503 25852 11437 1 17 . 1 1 77 77 LYS N N 77 120.334 120.334 119.106 1.228 25852 11438 1 17 . 1 1 77 77 LYS HA H 77 3.941 3.941 4.076 -0.135 25852 11439 1 17 . 1 1 77 77 LYS CA C 77 56.526 56.526 58.721 -2.195 25852 11440 1 17 . 1 1 77 77 LYS CB C 77 27.425 27.425 32.432 -5.008 25852 11441 1 17 . 1 1 77 77 LYS H H 77 7.658 7.658 8.111 -0.453 25852 11442 1 17 . 1 1 78 78 ASP N N 78 121.733 121.733 116.827 4.906 25852 11443 1 17 . 1 1 78 78 ASP HA H 78 4.194 4.194 4.717 -0.523 25852 11444 1 17 . 1 1 78 78 ASP CA C 78 52.516 52.516 54.919 -2.403 25852 11445 1 17 . 1 1 78 78 ASP CB C 78 40.028 40.028 42.172 -2.144 25852 11446 1 17 . 1 1 78 78 ASP H H 78 8.212 8.212 7.947 0.265 25852 11447 1 17 . 1 1 79 79 THR N N 79 114.651 114.651 117.035 -2.384 25852 11448 1 17 . 1 1 79 79 THR HA H 79 4.170 4.170 4.293 -0.123 25852 11449 1 17 . 1 1 79 79 THR CA C 79 59.391 59.391 62.402 -3.011 25852 11450 1 17 . 1 1 79 79 THR CB C 79 67.067 67.067 68.598 -1.531 25852 11451 1 17 . 1 1 79 79 THR H H 79 8.048 8.048 8.024 0.024 25852 11452 1 17 . 1 1 80 80 ASP N N 80 122.484 122.484 128.941 -6.457 25852 11453 1 17 . 1 1 80 80 ASP HA H 80 4.363 4.363 4.324 0.039 25852 11454 1 17 . 1 1 80 80 ASP CA C 80 50.850 50.850 55.758 -4.908 25852 11455 1 17 . 1 1 80 80 ASP CB C 80 36.705 36.705 41.562 -4.857 25852 11456 1 17 . 1 1 80 80 ASP H H 80 8.432 8.432 8.324 0.108 25852 11457 1 17 . 1 1 81 81 SER N N 81 117.135 117.135 118.407 -1.272 25852 11458 1 17 . 1 1 81 81 SER HA H 81 4.267 4.267 4.263 0.004 25852 11459 1 17 . 1 1 81 81 SER CA C 81 56.870 56.870 60.280 -3.410 25852 11460 1 17 . 1 1 81 81 SER CB C 81 60.884 60.884 63.877 -2.993 25852 11461 1 17 . 1 1 81 81 SER H H 81 8.403 8.403 8.625 -0.222 25852 11462 1 17 . 1 1 82 82 GLU N N 82 121.723 121.723 121.303 0.420 25852 11463 1 17 . 1 1 82 82 GLU HA H 82 3.883 3.883 4.208 -0.325 25852 11464 1 17 . 1 1 82 82 GLU CA C 82 56.707 56.707 58.742 -2.035 25852 11465 1 17 . 1 1 82 82 GLU CB C 82 29.831 29.831 29.365 0.466 25852 11466 1 17 . 1 1 82 82 GLU H H 82 8.443 8.443 8.330 0.113 25852 11467 1 17 . 1 1 83 83 GLU N N 83 119.259 119.259 118.274 0.985 25852 11468 1 17 . 1 1 83 83 GLU HA H 83 3.883 3.883 4.146 -0.263 25852 11469 1 17 . 1 1 83 83 GLU CA C 83 56.606 56.606 58.456 -1.850 25852 11470 1 17 . 1 1 83 83 GLU CB C 83 29.364 29.364 29.128 0.236 25852 11471 1 17 . 1 1 83 83 GLU H H 83 8.118 8.118 8.571 -0.453 25852 11472 1 17 . 1 1 84 84 GLU N N 84 118.060 118.060 117.336 0.724 25852 11473 1 17 . 1 1 84 84 GLU HA H 84 3.871 3.871 4.375 -0.504 25852 11474 1 17 . 1 1 84 84 GLU CA C 84 56.606 56.606 58.528 -1.922 25852 11475 1 17 . 1 1 84 84 GLU CB C 84 25.817 25.817 29.472 -3.655 25852 11476 1 17 . 1 1 84 84 GLU H H 84 8.212 8.212 7.946 0.266 25852 11477 1 17 . 1 1 85 85 ILE N N 85 120.736 120.736 117.939 2.797 25852 11478 1 17 . 1 1 85 85 ILE HA H 85 3.678 3.678 4.186 -0.508 25852 11479 1 17 . 1 1 85 85 ILE CA C 85 62.484 62.484 63.899 -1.415 25852 11480 1 17 . 1 1 85 85 ILE CB C 85 35.445 35.445 38.638 -3.193 25852 11481 1 17 . 1 1 85 85 ILE H H 85 7.964 7.964 7.334 0.630 25852 11482 1 17 . 1 1 86 86 ARG N N 86 121.452 121.452 120.009 1.443 25852 11483 1 17 . 1 1 86 86 ARG HA H 86 3.989 3.989 4.270 -0.281 25852 11484 1 17 . 1 1 86 86 ARG CA C 86 56.985 56.985 58.990 -2.005 25852 11485 1 17 . 1 1 86 86 ARG CB C 86 26.856 26.856 29.727 -2.870 25852 11486 1 17 . 1 1 86 86 ARG H H 86 8.351 8.351 8.127 0.224 25852 11487 1 17 . 1 1 87 87 GLU N N 87 118.288 118.288 119.226 -0.938 25852 11488 1 17 . 1 1 87 87 GLU HA H 87 3.861 3.861 4.286 -0.425 25852 11489 1 17 . 1 1 87 87 GLU CA C 87 56.606 56.606 58.503 -1.897 25852 11490 1 17 . 1 1 87 87 GLU CB C 87 25.817 25.817 29.446 -3.629 25852 11491 1 17 . 1 1 87 87 GLU H H 87 8.238 8.238 7.880 0.358 25852 11492 1 17 . 1 1 88 88 ALA N N 88 120.408 120.408 122.194 -1.786 25852 11493 1 17 . 1 1 88 88 ALA HA H 88 4.013 4.013 4.336 -0.323 25852 11494 1 17 . 1 1 88 88 ALA CA C 88 52.263 52.263 54.749 -2.486 25852 11495 1 17 . 1 1 88 88 ALA CB C 88 15.080 15.080 18.594 -3.514 25852 11496 1 17 . 1 1 88 88 ALA H H 88 7.960 7.960 8.137 -0.177 25852 11497 1 17 . 1 1 89 89 PHE N N 89 118.123 118.123 117.273 0.850 25852 11498 1 17 . 1 1 89 89 PHE HA H 89 3.058 3.058 4.384 -1.326 25852 11499 1 17 . 1 1 89 89 PHE CA C 89 59.703 59.703 60.140 -0.437 25852 11500 1 17 . 1 1 89 89 PHE CB C 89 36.774 36.774 38.880 -2.106 25852 11501 1 17 . 1 1 89 89 PHE H H 89 8.498 8.498 7.647 0.851 25852 11502 1 17 . 1 1 90 90 ARG N N 90 116.002 116.002 119.173 -3.171 25852 11503 1 17 . 1 1 90 90 ARG HA H 90 3.892 3.892 4.193 -0.301 25852 11504 1 17 . 1 1 90 90 ARG CA C 90 56.168 56.168 57.387 -1.219 25852 11505 1 17 . 1 1 90 90 ARG CB C 90 27.654 27.654 30.076 -2.422 25852 11506 1 17 . 1 1 90 90 ARG H H 90 7.860 7.860 7.640 0.220 25852 11507 1 17 . 1 1 91 91 VAL N N 91 118.008 118.008 118.554 -0.546 25852 11508 1 17 . 1 1 91 91 VAL HA H 91 3.243 3.243 3.672 -0.429 25852 11509 1 17 . 1 1 91 91 VAL CA C 91 63.357 63.357 65.602 -2.245 25852 11510 1 17 . 1 1 91 91 VAL CB C 91 28.444 28.444 32.224 -3.780 25852 11511 1 17 . 1 1 91 91 VAL H H 91 7.300 7.300 7.558 -0.258 25852 11512 1 17 . 1 1 92 92 PHE N N 92 113.024 113.024 114.150 -1.126 25852 11513 1 17 . 1 1 92 92 PHE HA H 92 3.967 3.967 4.310 -0.343 25852 11514 1 17 . 1 1 92 92 PHE CA C 92 57.558 57.558 59.305 -1.747 25852 11515 1 17 . 1 1 92 92 PHE CB C 92 38.838 38.838 40.475 -1.637 25852 11516 1 17 . 1 1 92 92 PHE H H 92 6.805 6.805 7.829 -1.024 25852 11517 1 17 . 1 1 93 93 ASP N N 93 116.393 116.393 120.417 -4.024 25852 11518 1 17 . 1 1 93 93 ASP HA H 93 4.496 4.496 4.470 0.026 25852 11519 1 17 . 1 1 93 93 ASP CA C 93 49.525 49.525 55.287 -5.762 25852 11520 1 17 . 1 1 93 93 ASP CB C 93 35.788 35.788 40.127 -4.339 25852 11521 1 17 . 1 1 93 93 ASP H H 93 8.018 8.018 7.726 0.292 25852 11522 1 17 . 1 1 94 94 LYS N N 94 125.158 125.158 124.814 0.344 25852 11523 1 17 . 1 1 94 94 LYS HA H 94 3.892 3.892 4.282 -0.390 25852 11524 1 17 . 1 1 94 94 LYS CA C 94 56.183 56.183 57.664 -1.481 25852 11525 1 17 . 1 1 94 94 LYS CB C 94 29.945 29.945 32.746 -2.801 25852 11526 1 17 . 1 1 94 94 LYS H H 94 7.721 7.721 8.474 -0.753 25852 11527 1 17 . 1 1 95 95 ASP N N 95 113.893 113.893 118.140 -4.247 25852 11528 1 17 . 1 1 95 95 ASP HA H 95 4.415 4.415 4.488 -0.073 25852 11529 1 17 . 1 1 95 95 ASP CA C 95 50.683 50.683 54.770 -4.087 25852 11530 1 17 . 1 1 95 95 ASP CB C 95 36.774 36.774 41.060 -4.287 25852 11531 1 17 . 1 1 95 95 ASP H H 95 8.156 8.156 8.512 -0.356 25852 11532 1 17 . 1 1 96 96 GLY N N 96 108.799 108.799 106.166 2.633 25852 11533 1 17 . 1 1 96 96 GLY CA C 96 44.344 44.344 46.282 -1.938 25852 11534 1 17 . 1 1 96 96 GLY H H 96 7.717 7.717 8.578 -0.861 25852 11535 1 17 . 1 1 97 97 ASN N N 97 119.381 119.381 118.130 1.251 25852 11536 1 17 . 1 1 97 97 ASN HA H 97 4.500 4.500 4.759 -0.259 25852 11537 1 17 . 1 1 97 97 ASN CA C 97 49.916 49.916 52.934 -3.018 25852 11538 1 17 . 1 1 97 97 ASN CB C 97 35.183 35.183 39.239 -4.056 25852 11539 1 17 . 1 1 97 97 ASN H H 97 8.312 8.312 8.142 0.170 25852 11540 1 17 . 1 1 98 98 GLY N N 98 112.330 112.330 106.810 5.520 25852 11541 1 17 . 1 1 98 98 GLY CA C 98 42.434 42.434 45.341 -2.907 25852 11542 1 17 . 1 1 98 98 GLY H H 98 10.555 10.555 7.973 2.582 25852 11543 1 17 . 1 1 99 99 TYR N N 99 116.075 116.075 119.202 -3.127 25852 11544 1 17 . 1 1 99 99 TYR HA H 99 4.871 4.871 5.121 -0.250 25852 11545 1 17 . 1 1 99 99 TYR CA C 99 53.582 53.582 55.792 -2.211 25852 11546 1 17 . 1 1 99 99 TYR CB C 99 39.981 39.981 39.332 0.649 25852 11547 1 17 . 1 1 99 99 TYR H H 99 7.650 7.650 7.492 0.158 25852 11548 1 17 . 1 1 100 100 ILE N N 100 126.834 126.834 126.529 0.305 25852 11549 1 17 . 1 1 100 100 ILE HA H 100 4.493 4.493 4.235 0.258 25852 11550 1 17 . 1 1 100 100 ILE CA C 100 58.616 58.616 61.370 -2.754 25852 11551 1 17 . 1 1 100 100 ILE CB C 100 35.903 35.903 36.438 -0.535 25852 11552 1 17 . 1 1 100 100 ILE H H 100 10.037 10.037 8.554 1.483 25852 11553 1 17 . 1 1 101 101 SER N N 101 123.486 123.486 122.807 0.679 25852 11554 1 17 . 1 1 101 101 SER HA H 101 4.738 4.738 4.468 0.270 25852 11555 1 17 . 1 1 101 101 SER CA C 101 52.897 52.897 57.536 -4.639 25852 11556 1 17 . 1 1 101 101 SER CB C 101 64.134 64.134 64.983 -0.849 25852 11557 1 17 . 1 1 101 101 SER H H 101 8.904 8.904 9.134 -0.230 25852 11558 1 17 . 1 1 102 102 ALA N N 102 122.796 122.796 124.564 -1.768 25852 11559 1 17 . 1 1 102 102 ALA HA H 102 3.747 3.747 4.013 -0.266 25852 11560 1 17 . 1 1 102 102 ALA CA C 102 53.093 53.093 54.982 -1.889 25852 11561 1 17 . 1 1 102 102 ALA CB C 102 15.114 15.114 18.365 -3.251 25852 11562 1 17 . 1 1 102 102 ALA H H 102 9.246 9.246 8.471 0.775 25852 11563 1 17 . 1 1 103 103 ALA N N 103 118.362 118.362 118.860 -0.498 25852 11564 1 17 . 1 1 103 103 ALA HA H 103 3.861 3.861 4.144 -0.283 25852 11565 1 17 . 1 1 103 103 ALA CA C 103 52.409 52.409 53.739 -1.330 25852 11566 1 17 . 1 1 103 103 ALA CB C 103 15.456 15.456 18.691 -3.235 25852 11567 1 17 . 1 1 103 103 ALA H H 103 8.214 8.214 8.314 -0.100 25852 11568 1 17 . 1 1 104 104 GLU N N 104 120.187 120.187 120.454 -0.267 25852 11569 1 17 . 1 1 104 104 GLU HA H 104 3.904 3.904 4.143 -0.239 25852 11570 1 17 . 1 1 104 104 GLU CA C 104 56.563 56.563 58.884 -2.321 25852 11571 1 17 . 1 1 104 104 GLU CB C 104 26.400 26.400 29.805 -3.405 25852 11572 1 17 . 1 1 104 104 GLU H H 104 7.864 7.864 7.827 0.037 25852 11573 1 17 . 1 1 105 105 LEU N N 105 121.050 121.050 120.354 0.696 25852 11574 1 17 . 1 1 105 105 LEU HA H 105 3.892 3.892 4.239 -0.347 25852 11575 1 17 . 1 1 105 105 LEU CA C 105 55.732 55.732 58.026 -2.294 25852 11576 1 17 . 1 1 105 105 LEU CB C 105 39.340 39.340 42.200 -2.861 25852 11577 1 17 . 1 1 105 105 LEU H H 105 8.341 8.341 8.530 -0.189 25852 11578 1 17 . 1 1 106 106 ARG N N 106 118.494 118.494 119.609 -1.115 25852 11579 1 17 . 1 1 106 106 ARG HA H 106 3.904 3.904 4.050 -0.146 25852 11580 1 17 . 1 1 106 106 ARG CA C 106 55.724 55.724 58.811 -3.087 25852 11581 1 17 . 1 1 106 106 ARG CB C 106 29.945 29.945 29.143 0.802 25852 11582 1 17 . 1 1 106 106 ARG H H 106 8.852 8.852 7.811 1.041 25852 11583 1 17 . 1 1 107 107 HIS N N 107 118.921 118.921 119.123 -0.202 25852 11584 1 17 . 1 1 107 107 HIS HA H 107 3.876 3.876 4.429 -0.553 25852 11585 1 17 . 1 1 107 107 HIS CA C 107 56.807 56.807 59.286 -2.479 25852 11586 1 17 . 1 1 107 107 HIS CB C 107 27.198 27.198 30.336 -3.138 25852 11587 1 17 . 1 1 107 107 HIS H H 107 8.045 8.045 8.549 -0.504 25852 11588 1 17 . 1 1 108 108 VAL N N 108 118.991 118.991 120.886 -1.895 25852 11589 1 17 . 1 1 108 108 VAL HA H 108 3.385 3.385 3.601 -0.216 25852 11590 1 17 . 1 1 108 108 VAL CA C 108 64.285 64.285 66.677 -2.392 25852 11591 1 17 . 1 1 108 108 VAL CB C 108 28.908 28.908 31.380 -2.472 25852 11592 1 17 . 1 1 108 108 VAL H H 108 7.766 7.766 8.592 -0.826 25852 11593 1 17 . 1 1 109 109 MET N N 109 115.789 115.789 119.110 -3.321 25852 11594 1 17 . 1 1 109 109 MET HA H 109 4.139 4.139 4.190 -0.051 25852 11595 1 17 . 1 1 109 109 MET CA C 109 54.461 54.461 57.775 -3.314 25852 11596 1 17 . 1 1 109 109 MET CB C 109 29.706 29.706 31.488 -1.782 25852 11597 1 17 . 1 1 109 109 MET H H 109 8.333 8.333 8.636 -0.303 25852 11598 1 17 . 1 1 110 110 THR N N 110 116.700 116.700 114.201 2.499 25852 11599 1 17 . 1 1 110 110 THR HA H 110 3.935 3.935 4.221 -0.286 25852 11600 1 17 . 1 1 110 110 THR CA C 110 63.845 63.845 65.219 -1.374 25852 11601 1 17 . 1 1 110 110 THR CB C 110 66.072 66.072 68.395 -2.323 25852 11602 1 17 . 1 1 110 110 THR H H 110 8.603 8.603 8.216 0.387 25852 11603 1 17 . 1 1 111 111 ASN N N 111 123.354 123.354 118.284 5.070 25852 11604 1 17 . 1 1 111 111 ASN HA H 111 4.242 4.242 4.539 -0.297 25852 11605 1 17 . 1 1 111 111 ASN CA C 111 53.093 53.093 55.413 -2.321 25852 11606 1 17 . 1 1 111 111 ASN CB C 111 35.292 35.292 38.568 -3.276 25852 11607 1 17 . 1 1 111 111 ASN H H 111 7.991 7.991 7.246 0.745 25852 11608 1 17 . 1 1 112 112 LEU N N 112 118.291 118.291 116.362 1.929 25852 11609 1 17 . 1 1 112 112 LEU HA H 112 4.182 4.182 4.134 0.048 25852 11610 1 17 . 1 1 112 112 LEU CA C 112 52.653 52.653 55.991 -3.338 25852 11611 1 17 . 1 1 112 112 LEU CB C 112 39.738 39.738 42.728 -2.990 25852 11612 1 17 . 1 1 112 112 LEU H H 112 7.754 7.754 7.899 -0.145 25852 11613 1 17 . 1 1 113 113 GLY N N 113 106.894 106.894 103.863 3.031 25852 11614 1 17 . 1 1 113 113 GLY CA C 113 42.536 42.536 44.426 -1.890 25852 11615 1 17 . 1 1 113 113 GLY H H 113 7.778 7.778 8.072 -0.294 25852 11616 1 17 . 1 1 114 114 GLU N N 114 119.776 119.776 121.347 -1.571 25852 11617 1 17 . 1 1 114 114 GLU HA H 114 4.267 4.267 4.486 -0.219 25852 11618 1 17 . 1 1 114 114 GLU CA C 114 52.067 52.067 55.226 -3.159 25852 11619 1 17 . 1 1 114 114 GLU CB C 114 26.616 26.616 32.196 -5.580 25852 11620 1 17 . 1 1 114 114 GLU H H 114 7.957 7.957 8.518 -0.561 25852 11621 1 17 . 1 1 115 115 LYS N N 115 124.429 124.429 121.616 2.813 25852 11622 1 17 . 1 1 115 115 LYS HA H 115 4.255 4.255 4.475 -0.220 25852 11623 1 17 . 1 1 115 115 LYS CA C 115 52.848 52.848 55.519 -2.671 25852 11624 1 17 . 1 1 115 115 LYS CB C 115 30.518 30.518 33.513 -2.995 25852 11625 1 17 . 1 1 115 115 LYS H H 115 8.591 8.591 8.406 0.185 25852 11626 1 17 . 1 1 116 116 LEU N N 116 124.724 124.724 125.761 -1.037 25852 11627 1 17 . 1 1 116 116 LEU HA H 116 4.690 4.690 4.877 -0.187 25852 11628 1 17 . 1 1 116 116 LEU CA C 116 51.089 51.089 53.936 -2.847 25852 11629 1 17 . 1 1 116 116 LEU CB C 116 42.588 42.588 44.643 -2.055 25852 11630 1 17 . 1 1 116 116 LEU H H 116 8.066 8.066 8.543 -0.477 25852 11631 1 17 . 1 1 117 117 THR N N 117 113.912 113.912 118.862 -4.950 25852 11632 1 17 . 1 1 117 117 THR HA H 117 4.302 4.302 4.342 -0.040 25852 11633 1 17 . 1 1 117 117 THR CA C 117 57.834 57.834 61.776 -3.942 25852 11634 1 17 . 1 1 117 117 THR CB C 117 68.580 68.580 70.510 -1.930 25852 11635 1 17 . 1 1 117 117 THR H H 117 9.165 9.165 8.995 0.170 25852 11636 1 17 . 1 1 118 118 ASP N N 118 120.787 120.787 120.549 0.238 25852 11637 1 17 . 1 1 118 118 ASP HA H 118 4.061 4.061 4.463 -0.402 25852 11638 1 17 . 1 1 118 118 ASP CA C 118 55.243 55.243 57.849 -2.606 25852 11639 1 17 . 1 1 118 118 ASP CB C 118 37.002 37.002 40.977 -3.975 25852 11640 1 17 . 1 1 118 118 ASP H H 118 8.860 8.860 8.760 0.100 25852 11641 1 17 . 1 1 119 119 GLU N N 119 119.091 119.091 115.659 3.432 25852 11642 1 17 . 1 1 119 119 GLU HA H 119 3.892 3.892 4.209 -0.317 25852 11643 1 17 . 1 1 119 119 GLU CA C 119 57.149 57.149 57.869 -0.720 25852 11644 1 17 . 1 1 119 119 GLU CB C 119 25.931 25.931 29.438 -3.507 25852 11645 1 17 . 1 1 119 119 GLU H H 119 8.618 8.618 8.295 0.323 25852 11646 1 17 . 1 1 120 120 GLU N N 120 120.037 120.037 116.709 3.328 25852 11647 1 17 . 1 1 120 120 GLU HA H 120 3.880 3.880 4.260 -0.380 25852 11648 1 17 . 1 1 120 120 GLU CA C 120 56.319 56.319 57.632 -1.313 25852 11649 1 17 . 1 1 120 120 GLU CB C 120 25.830 25.830 29.759 -3.929 25852 11650 1 17 . 1 1 120 120 GLU H H 120 7.659 7.659 8.167 -0.508 25852 11651 1 17 . 1 1 121 121 VAL N N 121 122.512 122.512 116.127 6.385 25852 11652 1 17 . 1 1 121 121 VAL HA H 121 3.385 3.385 4.014 -0.629 25852 11653 1 17 . 1 1 121 121 VAL CA C 121 64.090 64.090 64.108 -0.018 25852 11654 1 17 . 1 1 121 121 VAL CB C 121 28.680 28.680 31.329 -2.649 25852 11655 1 17 . 1 1 121 121 VAL H H 121 7.887 7.887 7.354 0.533 25852 11656 1 17 . 1 1 122 122 ASP N N 122 119.993 119.993 119.843 0.150 25852 11657 1 17 . 1 1 122 122 ASP HA H 122 4.157 4.157 4.533 -0.376 25852 11658 1 17 . 1 1 122 122 ASP CA C 122 54.901 54.901 56.561 -1.660 25852 11659 1 17 . 1 1 122 122 ASP CB C 122 37.572 37.572 39.808 -2.236 25852 11660 1 17 . 1 1 122 122 ASP H H 122 7.973 7.973 8.471 -0.498 25852 11661 1 17 . 1 1 123 123 GLU N N 123 119.521 119.521 115.449 4.072 25852 11662 1 17 . 1 1 123 123 GLU HA H 123 3.880 3.880 4.422 -0.542 25852 11663 1 17 . 1 1 123 123 GLU CA C 123 56.612 56.612 57.212 -0.599 25852 11664 1 17 . 1 1 123 123 GLU CB C 123 26.172 26.172 30.986 -4.814 25852 11665 1 17 . 1 1 123 123 GLU H H 123 7.903 7.903 7.585 0.318 25852 11666 1 17 . 1 1 124 124 MET N N 124 118.961 118.961 119.114 -0.153 25852 11667 1 17 . 1 1 124 124 MET HA H 124 3.892 3.892 4.317 -0.425 25852 11668 1 17 . 1 1 124 124 MET CA C 124 56.905 56.905 57.649 -0.744 25852 11669 1 17 . 1 1 124 124 MET CB C 124 29.250 29.250 32.711 -3.461 25852 11670 1 17 . 1 1 124 124 MET H H 124 7.496 7.496 7.551 -0.055 25852 11671 1 17 . 1 1 125 125 ILE N N 125 117.801 117.801 118.625 -0.824 25852 11672 1 17 . 1 1 125 125 ILE HA H 125 3.409 3.409 3.874 -0.465 25852 11673 1 17 . 1 1 125 125 ILE CA C 125 60.131 60.131 64.257 -4.125 25852 11674 1 17 . 1 1 125 125 ILE CB C 125 33.240 33.240 38.413 -5.173 25852 11675 1 17 . 1 1 125 125 ILE H H 125 7.762 7.762 7.890 -0.128 25852 11676 1 17 . 1 1 126 126 ARG N N 126 117.729 117.729 118.013 -0.284 25852 11677 1 17 . 1 1 126 126 ARG HA H 126 3.883 3.883 3.963 -0.080 25852 11678 1 17 . 1 1 126 126 ARG CA C 126 56.673 56.673 59.259 -2.586 25852 11679 1 17 . 1 1 126 126 ARG CB C 126 29.478 29.478 30.008 -0.530 25852 11680 1 17 . 1 1 126 126 ARG H H 126 8.055 8.055 8.642 -0.587 25852 11681 1 17 . 1 1 127 127 GLU N N 127 117.539 117.539 117.376 0.163 25852 11682 1 17 . 1 1 127 127 GLU HA H 127 3.861 3.861 4.109 -0.248 25852 11683 1 17 . 1 1 127 127 GLU CA C 127 56.319 56.319 58.532 -2.213 25852 11684 1 17 . 1 1 127 127 GLU CB C 127 26.286 26.286 29.244 -2.958 25852 11685 1 17 . 1 1 127 127 GLU H H 127 7.700 7.700 7.669 0.031 25852 11686 1 17 . 1 1 128 128 ALA N N 128 116.677 116.677 119.916 -3.239 25852 11687 1 17 . 1 1 128 128 ALA HA H 128 4.500 4.500 4.728 -0.228 25852 11688 1 17 . 1 1 128 128 ALA CA C 128 48.205 48.205 51.463 -3.258 25852 11689 1 17 . 1 1 128 128 ALA CB C 128 19.633 19.633 20.661 -1.028 25852 11690 1 17 . 1 1 128 128 ALA H H 128 7.223 7.223 7.615 -0.392 25852 11691 1 17 . 1 1 129 129 ASP N N 129 118.030 118.030 119.381 -1.351 25852 11692 1 17 . 1 1 129 129 ASP HA H 129 4.460 4.460 4.867 -0.407 25852 11693 1 17 . 1 1 129 129 ASP CA C 129 51.485 51.485 56.362 -4.877 25852 11694 1 17 . 1 1 129 129 ASP CB C 129 38.195 38.195 41.259 -3.064 25852 11695 1 17 . 1 1 129 129 ASP H H 129 7.895 7.895 8.377 -0.482 25852 11696 1 17 . 1 1 130 130 ILE N N 130 127.693 127.693 126.725 0.968 25852 11697 1 17 . 1 1 130 130 ILE HA H 130 3.797 3.797 4.040 -0.243 25852 11698 1 17 . 1 1 130 130 ILE CA C 130 60.522 60.522 63.688 -3.166 25852 11699 1 17 . 1 1 130 130 ILE CB C 130 36.090 36.090 38.610 -2.520 25852 11700 1 17 . 1 1 130 130 ILE H H 130 8.148 8.148 8.988 -0.840 25852 11701 1 17 . 1 1 131 131 ASP N N 131 116.409 116.409 117.896 -1.487 25852 11702 1 17 . 1 1 131 131 ASP HA H 131 4.376 4.376 4.644 -0.268 25852 11703 1 17 . 1 1 131 131 ASP CA C 131 51.187 51.187 54.834 -3.647 25852 11704 1 17 . 1 1 131 131 ASP CB C 131 37.468 37.468 42.294 -4.826 25852 11705 1 17 . 1 1 131 131 ASP H H 131 8.288 8.288 8.045 0.243 25852 11706 1 17 . 1 1 132 132 GLY N N 132 108.363 108.363 108.807 -0.444 25852 11707 1 17 . 1 1 132 132 GLY CA C 132 44.638 44.638 45.582 -0.944 25852 11708 1 17 . 1 1 132 132 GLY H H 132 7.630 7.630 7.826 -0.196 25852 11709 1 17 . 1 1 133 133 ASP N N 133 120.183 120.183 120.202 -0.019 25852 11710 1 17 . 1 1 133 133 ASP HA H 133 4.329 4.329 4.559 -0.230 25852 11711 1 17 . 1 1 133 133 ASP CA C 133 50.942 50.942 54.960 -4.018 25852 11712 1 17 . 1 1 133 133 ASP CB C 133 37.458 37.458 41.467 -4.009 25852 11713 1 17 . 1 1 133 133 ASP H H 133 8.298 8.298 8.413 -0.115 25852 11714 1 17 . 1 1 134 134 GLY N N 134 112.149 112.149 108.339 3.810 25852 11715 1 17 . 1 1 134 134 GLY CA C 134 43.122 43.122 44.889 -1.767 25852 11716 1 17 . 1 1 134 134 GLY H H 134 10.079 10.079 8.060 2.019 25852 11717 1 17 . 1 1 135 135 GLN N N 135 115.069 115.069 117.699 -2.630 25852 11718 1 17 . 1 1 135 135 GLN HA H 135 4.844 4.844 4.592 0.252 25852 11719 1 17 . 1 1 135 135 GLN CA C 135 50.454 50.454 54.485 -4.031 25852 11720 1 17 . 1 1 135 135 GLN CB C 135 30.614 30.614 32.220 -1.606 25852 11721 1 17 . 1 1 135 135 GLN H H 135 7.922 7.922 7.719 0.203 25852 11722 1 17 . 1 1 136 136 VAL N N 136 125.107 125.107 125.916 -0.809 25852 11723 1 17 . 1 1 136 136 VAL HA H 136 5.096 5.096 4.928 0.168 25852 11724 1 17 . 1 1 136 136 VAL CA C 136 58.713 58.713 61.661 -2.948 25852 11725 1 17 . 1 1 136 136 VAL CB C 136 31.416 31.416 32.534 -1.118 25852 11726 1 17 . 1 1 136 136 VAL H H 136 9.046 9.046 8.372 0.674 25852 11727 1 17 . 1 1 137 137 ASN N N 137 128.858 128.858 125.294 3.564 25852 11728 1 17 . 1 1 137 137 ASN HA H 137 5.226 5.226 5.257 -0.031 25852 11729 1 17 . 1 1 137 137 ASN CA C 137 48.352 48.352 52.603 -4.252 25852 11730 1 17 . 1 1 137 137 ASN CB C 137 35.640 35.640 40.569 -4.929 25852 11731 1 17 . 1 1 137 137 ASN H H 137 9.458 9.458 9.142 0.316 25852 11732 1 17 . 1 1 138 138 TYR N N 138 118.481 118.481 120.784 -2.303 25852 11733 1 17 . 1 1 138 138 TYR HA H 138 3.603 3.603 4.617 -1.014 25852 11734 1 17 . 1 1 138 138 TYR CA C 138 59.669 59.669 63.354 -3.685 25852 11735 1 17 . 1 1 138 138 TYR CB C 138 37.572 37.572 38.220 -0.648 25852 11736 1 17 . 1 1 138 138 TYR H H 138 8.235 8.235 9.066 -0.831 25852 11737 1 17 . 1 1 139 139 GLU N N 139 118.474 118.474 118.443 0.031 25852 11738 1 17 . 1 1 139 139 GLU HA H 139 3.868 3.868 4.137 -0.269 25852 11739 1 17 . 1 1 139 139 GLU CA C 139 57.540 57.540 59.474 -1.935 25852 11740 1 17 . 1 1 139 139 GLU CB C 139 26.274 26.274 28.648 -2.374 25852 11741 1 17 . 1 1 139 139 GLU H H 139 8.067 8.067 9.173 -1.106 25852 11742 1 17 . 1 1 140 140 GLU N N 140 119.279 119.279 119.636 -0.357 25852 11743 1 17 . 1 1 140 140 GLU HA H 140 3.880 3.880 4.328 -0.448 25852 11744 1 17 . 1 1 140 140 GLU CA C 140 56.025 56.025 58.478 -2.453 25852 11745 1 17 . 1 1 140 140 GLU CB C 140 26.274 26.274 29.704 -3.430 25852 11746 1 17 . 1 1 140 140 GLU H H 140 8.742 8.742 8.570 0.172 25852 11747 1 17 . 1 1 141 141 PHE N N 141 124.141 124.141 120.685 3.456 25852 11748 1 17 . 1 1 141 141 PHE HA H 141 3.602 3.602 4.234 -0.632 25852 11749 1 17 . 1 1 141 141 PHE CA C 141 59.447 59.447 60.712 -1.266 25852 11750 1 17 . 1 1 141 141 PHE CB C 141 37.686 37.686 39.254 -1.568 25852 11751 1 17 . 1 1 141 141 PHE H H 141 8.593 8.593 7.764 0.829 25852 11752 1 17 . 1 1 142 142 VAL N N 142 118.383 118.383 117.702 0.681 25852 11753 1 17 . 1 1 142 142 VAL HA H 142 2.986 2.986 3.629 -0.643 25852 11754 1 17 . 1 1 142 142 VAL CA C 142 64.432 64.432 65.810 -1.378 25852 11755 1 17 . 1 1 142 142 VAL CB C 142 28.908 28.908 32.106 -3.198 25852 11756 1 17 . 1 1 142 142 VAL H H 142 8.776 8.776 8.379 0.397 25852 11757 1 17 . 1 1 143 143 GLN N N 143 119.891 119.891 120.363 -0.472 25852 11758 1 17 . 1 1 143 143 GLN HA H 143 3.671 3.671 4.133 -0.462 25852 11759 1 17 . 1 1 143 143 GLN CA C 143 56.514 56.514 58.278 -1.764 25852 11760 1 17 . 1 1 143 143 GLN CB C 143 25.246 25.246 28.238 -2.992 25852 11761 1 17 . 1 1 143 143 GLN H H 143 7.787 7.787 8.032 -0.245 25852 11762 1 17 . 1 1 144 144 MET N N 144 118.429 118.429 118.101 0.328 25852 11763 1 17 . 1 1 144 144 MET HA H 144 3.892 3.892 4.283 -0.391 25852 11764 1 17 . 1 1 144 144 MET CA C 144 55.683 55.683 57.850 -2.167 25852 11765 1 17 . 1 1 144 144 MET CB C 144 28.110 28.110 32.061 -3.951 25852 11766 1 17 . 1 1 144 144 MET H H 144 7.450 7.450 7.901 -0.451 25852 11767 1 17 . 1 1 145 145 MET N N 145 114.145 114.145 115.481 -1.336 25852 11768 1 17 . 1 1 145 145 MET HA H 145 3.905 3.905 4.451 -0.546 25852 11769 1 17 . 1 1 145 145 MET CA C 145 53.630 53.630 56.811 -3.181 25852 11770 1 17 . 1 1 145 145 MET CB C 145 29.592 29.592 32.156 -2.564 25852 11771 1 17 . 1 1 145 145 MET H H 145 7.724 7.724 7.627 0.097 25852 11772 1 17 . 1 1 146 146 THR N N 146 108.482 108.482 113.013 -4.531 25852 11773 1 17 . 1 1 146 146 THR HA H 146 4.170 4.170 4.441 -0.271 25852 11774 1 17 . 1 1 146 146 THR CA C 146 59.251 59.251 62.738 -3.487 25852 11775 1 17 . 1 1 146 146 THR CB C 146 67.896 67.896 69.814 -1.919 25852 11776 1 17 . 1 1 146 146 THR H H 146 7.700 7.700 7.507 0.193 25852 11777 1 17 . 1 1 147 147 ALA N N 147 126.469 126.469 126.097 0.372 25852 11778 1 17 . 1 1 147 147 ALA HA H 147 4.095 4.095 3.981 0.114 25852 11779 1 17 . 1 1 147 147 ALA CA C 147 50.307 50.307 54.164 -3.857 25852 11780 1 17 . 1 1 147 147 ALA CB C 147 16.336 16.336 18.992 -2.656 25852 11781 1 17 . 1 1 147 147 ALA H H 147 7.291 7.291 8.827 -1.536 25852 11782 1 18 . 1 1 3 3 GLN N N 3 118.120 118.120 116.668 1.452 25852 11783 1 18 . 1 1 3 3 GLN HA H 3 4.688 4.688 4.467 0.221 25852 11784 1 18 . 1 1 3 3 GLN CA C 3 53.500 53.500 56.511 -3.011 25852 11785 1 18 . 1 1 3 3 GLN CB C 3 29.475 29.475 30.417 -0.942 25852 11786 1 18 . 1 1 3 3 GLN H H 3 8.134 8.134 8.299 -0.165 25852 11787 1 18 . 1 1 4 4 LEU N N 4 121.407 121.407 118.447 2.960 25852 11788 1 18 . 1 1 4 4 LEU HA H 4 4.460 4.460 4.864 -0.404 25852 11789 1 18 . 1 1 4 4 LEU CA C 4 51.650 51.650 54.723 -3.073 25852 11790 1 18 . 1 1 4 4 LEU CB C 4 40.715 40.715 42.623 -1.908 25852 11791 1 18 . 1 1 4 4 LEU H H 4 8.202 8.202 8.156 0.046 25852 11792 1 18 . 1 1 5 5 THR N N 5 112.733 112.733 109.518 3.215 25852 11793 1 18 . 1 1 5 5 THR HA H 5 4.265 4.265 4.495 -0.230 25852 11794 1 18 . 1 1 5 5 THR CA C 5 59.433 59.433 60.432 -0.999 25852 11795 1 18 . 1 1 5 5 THR CB C 5 67.475 67.475 70.270 -2.795 25852 11796 1 18 . 1 1 5 5 THR H H 5 8.691 8.691 7.740 0.951 25852 11797 1 18 . 1 1 6 6 GLU N N 6 119.971 119.971 120.731 -0.760 25852 11798 1 18 . 1 1 6 6 GLU HA H 6 3.854 3.854 4.004 -0.150 25852 11799 1 18 . 1 1 6 6 GLU CA C 6 56.756 56.756 59.642 -2.886 25852 11800 1 18 . 1 1 6 6 GLU CB C 6 26.508 26.508 29.008 -2.500 25852 11801 1 18 . 1 1 6 6 GLU H H 6 8.953 8.953 8.891 0.062 25852 11802 1 18 . 1 1 7 7 GLU N N 7 119.133 119.133 117.598 1.535 25852 11803 1 18 . 1 1 7 7 GLU HA H 7 3.898 3.898 3.994 -0.096 25852 11804 1 18 . 1 1 7 7 GLU CA C 7 56.756 56.756 59.268 -2.512 25852 11805 1 18 . 1 1 7 7 GLU CB C 7 26.279 26.279 28.713 -2.434 25852 11806 1 18 . 1 1 7 7 GLU H H 7 8.653 8.653 8.946 -0.293 25852 11807 1 18 . 1 1 8 8 GLN N N 8 120.207 120.207 118.856 1.351 25852 11808 1 18 . 1 1 8 8 GLN HA H 8 3.957 3.957 4.255 -0.298 25852 11809 1 18 . 1 1 8 8 GLN CA C 8 57.099 57.099 58.586 -1.487 25852 11810 1 18 . 1 1 8 8 GLN CB C 8 26.737 26.737 28.938 -2.201 25852 11811 1 18 . 1 1 8 8 GLN H H 8 7.645 7.645 7.512 0.133 25852 11812 1 18 . 1 1 9 9 ILE N N 9 118.171 118.171 120.235 -2.064 25852 11813 1 18 . 1 1 9 9 ILE HA H 9 3.354 3.354 3.797 -0.443 25852 11814 1 18 . 1 1 9 9 ILE CA C 9 62.714 62.714 64.335 -1.621 25852 11815 1 18 . 1 1 9 9 ILE CB C 9 35.216 35.216 37.782 -2.567 25852 11816 1 18 . 1 1 9 9 ILE H H 9 8.153 8.153 7.496 0.657 25852 11817 1 18 . 1 1 10 10 ALA N N 10 120.124 120.124 121.264 -1.140 25852 11818 1 18 . 1 1 10 10 ALA HA H 10 3.966 3.966 4.148 -0.182 25852 11819 1 18 . 1 1 10 10 ALA CA C 10 52.746 52.746 54.982 -2.236 25852 11820 1 18 . 1 1 10 10 ALA CB C 10 15.165 15.165 18.864 -3.699 25852 11821 1 18 . 1 1 10 10 ALA H H 10 7.835 7.835 8.384 -0.549 25852 11822 1 18 . 1 1 11 11 GLU N N 11 119.983 119.983 114.269 5.714 25852 11823 1 18 . 1 1 11 11 GLU HA H 11 3.904 3.904 4.764 -0.860 25852 11824 1 18 . 1 1 11 11 GLU CA C 11 56.560 56.560 56.665 -0.105 25852 11825 1 18 . 1 1 11 11 GLU CB C 11 27.425 27.425 31.496 -4.071 25852 11826 1 18 . 1 1 11 11 GLU H H 11 7.706 7.706 7.774 -0.068 25852 11827 1 18 . 1 1 12 12 PHE N N 12 119.907 119.907 120.952 -1.045 25852 11828 1 18 . 1 1 12 12 PHE HA H 12 4.726 4.726 4.252 0.474 25852 11829 1 18 . 1 1 12 12 PHE CA C 12 55.839 55.839 61.791 -5.952 25852 11830 1 18 . 1 1 12 12 PHE CB C 12 33.955 33.955 39.262 -5.307 25852 11831 1 18 . 1 1 12 12 PHE H H 12 8.728 8.728 7.915 0.813 25852 11832 1 18 . 1 1 13 13 LYS N N 13 121.208 121.208 119.660 1.548 25852 11833 1 18 . 1 1 13 13 LYS HA H 13 3.904 3.904 4.049 -0.145 25852 11834 1 18 . 1 1 13 13 LYS CA C 13 57.290 57.290 59.588 -2.298 25852 11835 1 18 . 1 1 13 13 LYS CB C 13 30.174 30.174 31.923 -1.749 25852 11836 1 18 . 1 1 13 13 LYS H H 13 9.161 9.161 8.111 1.050 25852 11837 1 18 . 1 1 14 14 GLU N N 14 120.226 120.226 120.733 -0.507 25852 11838 1 18 . 1 1 14 14 GLU HA H 14 3.953 3.953 4.138 -0.184 25852 11839 1 18 . 1 1 14 14 GLU CA C 14 56.460 56.460 58.778 -2.318 25852 11840 1 18 . 1 1 14 14 GLU CB C 14 26.623 26.623 29.405 -2.782 25852 11841 1 18 . 1 1 14 14 GLU H H 14 7.980 7.980 7.788 0.192 25852 11842 1 18 . 1 1 15 15 ALA N N 15 120.572 120.572 121.064 -0.492 25852 11843 1 18 . 1 1 15 15 ALA HA H 15 4.170 4.170 4.002 0.168 25852 11844 1 18 . 1 1 15 15 ALA CA C 15 52.750 52.750 54.470 -1.720 25852 11845 1 18 . 1 1 15 15 ALA CB C 15 16.425 16.425 18.228 -1.803 25852 11846 1 18 . 1 1 15 15 ALA H H 15 7.563 7.563 8.364 -0.801 25852 11847 1 18 . 1 1 16 16 PHE N N 16 117.784 117.784 116.384 1.400 25852 11848 1 18 . 1 1 16 16 PHE HA H 16 3.904 3.904 4.423 -0.519 25852 11849 1 18 . 1 1 16 16 PHE CA C 16 59.540 59.540 59.487 0.053 25852 11850 1 18 . 1 1 16 16 PHE CB C 16 36.820 36.820 40.404 -3.584 25852 11851 1 18 . 1 1 16 16 PHE H H 16 8.453 8.453 7.258 1.195 25852 11852 1 18 . 1 1 17 17 SER N N 17 110.774 110.774 115.535 -4.761 25852 11853 1 18 . 1 1 17 17 SER HA H 17 4.086 4.086 4.058 0.028 25852 11854 1 18 . 1 1 17 17 SER CA C 17 58.560 58.560 59.754 -1.194 25852 11855 1 18 . 1 1 17 17 SER CB C 17 60.651 60.651 63.032 -2.381 25852 11856 1 18 . 1 1 17 17 SER H H 17 8.351 8.351 8.039 0.312 25852 11857 1 18 . 1 1 18 18 LEU N N 18 120.947 120.947 121.535 -0.588 25852 11858 1 18 . 1 1 18 18 LEU HA H 18 3.614 3.614 4.041 -0.427 25852 11859 1 18 . 1 1 18 18 LEU CA C 18 55.839 55.839 57.830 -1.991 25852 11860 1 18 . 1 1 18 18 LEU CB C 18 39.111 39.111 42.640 -3.529 25852 11861 1 18 . 1 1 18 18 LEU H H 18 7.278 7.278 8.384 -1.107 25852 11862 1 18 . 1 1 19 19 PHE N N 19 114.458 114.458 112.589 1.869 25852 11863 1 18 . 1 1 19 19 PHE HA H 19 3.904 3.904 4.501 -0.597 25852 11864 1 18 . 1 1 19 19 PHE CA C 19 56.870 56.870 57.798 -0.928 25852 11865 1 18 . 1 1 19 19 PHE CB C 19 33.841 33.841 41.392 -7.551 25852 11866 1 18 . 1 1 19 19 PHE H H 19 7.304 7.304 7.482 -0.178 25852 11867 1 18 . 1 1 20 20 ASP N N 20 122.233 122.233 121.403 0.830 25852 11868 1 18 . 1 1 20 20 ASP HA H 20 4.874 4.874 4.769 0.105 25852 11869 1 18 . 1 1 20 20 ASP CA C 20 50.454 50.454 53.102 -2.648 25852 11870 1 18 . 1 1 20 20 ASP CB C 20 37.622 37.622 39.577 -1.955 25852 11871 1 18 . 1 1 20 20 ASP H H 20 7.233 7.233 7.950 -0.717 25852 11872 1 18 . 1 1 21 21 LYS N N 21 123.433 123.433 122.726 0.707 25852 11873 1 18 . 1 1 21 21 LYS HA H 21 3.771 3.771 4.064 -0.293 25852 11874 1 18 . 1 1 21 21 LYS CA C 21 56.025 56.025 58.083 -2.058 25852 11875 1 18 . 1 1 21 21 LYS CB C 21 29.601 29.601 32.395 -2.794 25852 11876 1 18 . 1 1 21 21 LYS H H 21 8.007 8.007 8.079 -0.072 25852 11877 1 18 . 1 1 22 22 ASP N N 22 116.890 116.890 118.456 -1.566 25852 11878 1 18 . 1 1 22 22 ASP HA H 22 4.400 4.400 4.502 -0.102 25852 11879 1 18 . 1 1 22 22 ASP CA C 22 50.683 50.683 54.333 -3.650 25852 11880 1 18 . 1 1 22 22 ASP CB C 22 37.049 37.049 40.324 -3.275 25852 11881 1 18 . 1 1 22 22 ASP H H 22 8.641 8.641 8.184 0.457 25852 11882 1 18 . 1 1 23 23 GLY N N 23 110.068 110.068 107.201 2.867 25852 11883 1 18 . 1 1 23 23 GLY CA C 23 43.745 43.745 45.206 -1.461 25852 11884 1 18 . 1 1 23 23 GLY H H 23 7.938 7.938 7.881 0.057 25852 11885 1 18 . 1 1 24 24 ASP N N 24 120.219 120.219 119.893 0.326 25852 11886 1 18 . 1 1 24 24 ASP HA H 24 4.367 4.367 4.927 -0.560 25852 11887 1 18 . 1 1 24 24 ASP CA C 24 51.040 51.040 53.156 -2.116 25852 11888 1 18 . 1 1 24 24 ASP CB C 24 37.438 37.438 40.954 -3.516 25852 11889 1 18 . 1 1 24 24 ASP H H 24 8.723 8.723 8.203 0.520 25852 11890 1 18 . 1 1 25 25 GLY N N 25 111.889 111.889 109.356 2.533 25852 11891 1 18 . 1 1 25 25 GLY CA C 25 42.680 42.680 46.965 -4.285 25852 11892 1 18 . 1 1 25 25 GLY H H 25 10.132 10.132 9.114 1.018 25852 11893 1 18 . 1 1 26 26 THR N N 26 109.844 109.844 117.560 -7.716 25852 11894 1 18 . 1 1 26 26 THR HA H 26 5.386 5.386 5.235 0.151 25852 11895 1 18 . 1 1 26 26 THR CA C 26 56.950 56.950 61.399 -4.449 25852 11896 1 18 . 1 1 26 26 THR CB C 26 70.234 70.234 70.480 -0.246 25852 11897 1 18 . 1 1 26 26 THR H H 26 7.507 7.507 8.177 -0.670 25852 11898 1 18 . 1 1 27 27 ILE N N 27 110.289 110.289 119.957 -9.668 25852 11899 1 18 . 1 1 27 27 ILE HA H 27 3.891 3.891 4.898 -1.007 25852 11900 1 18 . 1 1 27 27 ILE CA C 27 58.360 58.360 58.670 -0.310 25852 11901 1 18 . 1 1 27 27 ILE CB C 27 35.559 35.559 41.002 -5.443 25852 11902 1 18 . 1 1 27 27 ILE H H 27 8.191 8.191 8.530 -0.339 25852 11903 1 18 . 1 1 28 28 THR N N 28 110.507 110.507 115.180 -4.673 25852 11904 1 18 . 1 1 28 28 THR HA H 28 4.895 4.895 4.333 0.562 25852 11905 1 18 . 1 1 28 28 THR CA C 28 57.787 57.787 62.583 -4.796 25852 11906 1 18 . 1 1 28 28 THR CB C 28 68.099 68.099 69.495 -1.396 25852 11907 1 18 . 1 1 28 28 THR H H 28 8.265 8.265 8.579 -0.314 25852 11908 1 18 . 1 1 29 29 THR N N 29 112.331 112.331 116.943 -4.612 25852 11909 1 18 . 1 1 29 29 THR HA H 29 3.941 3.941 4.021 -0.080 25852 11910 1 18 . 1 1 29 29 THR CA C 29 63.840 63.840 65.412 -1.572 25852 11911 1 18 . 1 1 29 29 THR CB C 29 65.807 65.807 68.588 -2.781 25852 11912 1 18 . 1 1 29 29 THR H H 29 8.225 8.225 8.283 -0.058 25852 11913 1 18 . 1 1 30 30 LYS N N 30 118.985 118.985 121.538 -2.553 25852 11914 1 18 . 1 1 30 30 LYS HA H 30 3.965 3.965 4.036 -0.071 25852 11915 1 18 . 1 1 30 30 LYS CA C 30 55.839 55.839 58.887 -3.048 25852 11916 1 18 . 1 1 30 30 LYS CB C 30 29.372 29.372 31.979 -2.607 25852 11917 1 18 . 1 1 30 30 LYS H H 30 7.559 7.559 8.645 -1.086 25852 11918 1 18 . 1 1 31 31 GLU N N 31 117.233 117.233 114.202 3.031 25852 11919 1 18 . 1 1 31 31 GLU HA H 31 3.965 3.965 4.216 -0.251 25852 11920 1 18 . 1 1 31 31 GLU CA C 31 57.140 57.140 56.434 0.706 25852 11921 1 18 . 1 1 31 31 GLU CB C 31 26.393 26.393 30.625 -4.232 25852 11922 1 18 . 1 1 31 31 GLU H H 31 7.431 7.431 7.678 -0.247 25852 11923 1 18 . 1 1 32 32 LEU N N 32 120.701 120.701 123.044 -2.343 25852 11924 1 18 . 1 1 32 32 LEU HA H 32 3.880 3.880 3.780 0.100 25852 11925 1 18 . 1 1 32 32 LEU CA C 32 55.520 55.520 57.978 -2.458 25852 11926 1 18 . 1 1 32 32 LEU CB C 32 39.226 39.226 41.328 -2.102 25852 11927 1 18 . 1 1 32 32 LEU H H 32 7.270 7.270 7.863 -0.593 25852 11928 1 18 . 1 1 33 33 GLY N N 33 105.217 105.217 105.398 -0.181 25852 11929 1 18 . 1 1 33 33 GLY CA C 33 45.642 45.642 47.572 -1.931 25852 11930 1 18 . 1 1 33 33 GLY H H 33 8.737 8.737 8.004 0.733 25852 11931 1 18 . 1 1 34 34 THR N N 34 118.196 118.196 118.263 -0.067 25852 11932 1 18 . 1 1 34 34 THR HA H 34 3.916 3.916 3.992 -0.076 25852 11933 1 18 . 1 1 34 34 THR CA C 34 63.859 63.859 65.985 -2.126 25852 11934 1 18 . 1 1 34 34 THR CB C 34 65.807 65.807 68.629 -2.822 25852 11935 1 18 . 1 1 34 34 THR H H 34 7.446 7.446 7.128 0.318 25852 11936 1 18 . 1 1 35 35 VAL N N 35 122.546 122.546 121.329 1.217 25852 11937 1 18 . 1 1 35 35 VAL HA H 35 3.373 3.373 3.725 -0.352 25852 11938 1 18 . 1 1 35 35 VAL CA C 35 64.088 64.088 65.311 -1.223 25852 11939 1 18 . 1 1 35 35 VAL CB C 35 28.799 28.799 30.895 -2.095 25852 11940 1 18 . 1 1 35 35 VAL H H 35 7.889 7.889 7.432 0.457 25852 11941 1 18 . 1 1 36 36 MET N N 36 118.307 118.307 118.401 -0.094 25852 11942 1 18 . 1 1 36 36 MET HA H 36 3.880 3.880 4.162 -0.282 25852 11943 1 18 . 1 1 36 36 MET CA C 36 56.870 56.870 58.938 -2.068 25852 11944 1 18 . 1 1 36 36 MET CB C 36 26.279 26.279 32.859 -6.580 25852 11945 1 18 . 1 1 36 36 MET H H 36 8.386 8.386 8.019 0.367 25852 11946 1 18 . 1 1 37 37 ARG N N 37 119.233 119.233 118.870 0.363 25852 11947 1 18 . 1 1 37 37 ARG HA H 37 3.904 3.904 4.548 -0.644 25852 11948 1 18 . 1 1 37 37 ARG CA C 37 56.170 56.170 58.620 -2.450 25852 11949 1 18 . 1 1 37 37 ARG CB C 37 27.310 27.310 30.327 -3.017 25852 11950 1 18 . 1 1 37 37 ARG H H 37 8.451 8.451 8.300 0.151 25852 11951 1 18 . 1 1 38 38 SER N N 38 118.720 118.720 117.056 1.664 25852 11952 1 18 . 1 1 38 38 SER HA H 38 4.176 4.176 4.291 -0.115 25852 11953 1 18 . 1 1 38 38 SER CA C 38 59.250 59.250 61.114 -1.864 25852 11954 1 18 . 1 1 38 38 SER CB C 38 67.411 67.411 62.618 4.793 25852 11955 1 18 . 1 1 38 38 SER H H 38 8.040 8.040 8.288 -0.248 25852 11956 1 18 . 1 1 39 39 LEU N N 39 120.896 120.896 119.406 1.490 25852 11957 1 18 . 1 1 39 39 LEU HA H 39 4.460 4.460 4.444 0.016 25852 11958 1 18 . 1 1 39 39 LEU CA C 39 51.330 51.330 54.911 -3.581 25852 11959 1 18 . 1 1 39 39 LEU CB C 39 40.257 40.257 42.221 -1.964 25852 11960 1 18 . 1 1 39 39 LEU H H 39 7.263 7.263 7.359 -0.096 25852 11961 1 18 . 1 1 40 40 GLY N N 40 106.917 106.917 106.653 0.264 25852 11962 1 18 . 1 1 40 40 GLY CA C 40 42.880 42.880 44.667 -1.787 25852 11963 1 18 . 1 1 40 40 GLY H H 40 7.841 7.841 8.051 -0.210 25852 11964 1 18 . 1 1 41 41 GLN N N 41 117.171 117.171 119.678 -2.507 25852 11965 1 18 . 1 1 41 41 GLN HA H 41 4.243 4.243 4.323 -0.080 25852 11966 1 18 . 1 1 41 41 GLN CA C 41 52.631 52.631 55.377 -2.746 25852 11967 1 18 . 1 1 41 41 GLN CB C 41 30.747 30.747 29.765 0.982 25852 11968 1 18 . 1 1 41 41 GLN H H 41 7.687 7.687 7.757 -0.070 25852 11969 1 18 . 1 1 42 42 ASN N N 42 116.423 116.423 122.061 -5.638 25852 11970 1 18 . 1 1 42 42 ASN HA H 42 5.016 5.016 5.080 -0.064 25852 11971 1 18 . 1 1 42 42 ASN CA C 42 48.640 48.640 50.138 -1.498 25852 11972 1 18 . 1 1 42 42 ASN CB C 42 36.591 36.591 39.413 -2.822 25852 11973 1 18 . 1 1 42 42 ASN H H 42 8.601 8.601 8.723 -0.122 25852 11974 1 18 . 1 1 44 44 THR N N 44 113.033 113.033 114.439 -1.406 25852 11975 1 18 . 1 1 44 44 THR HA H 44 4.279 4.279 4.571 -0.292 25852 11976 1 18 . 1 1 44 44 THR CA C 44 57.640 57.640 60.826 -3.186 25852 11977 1 18 . 1 1 44 44 THR CB C 44 68.328 68.328 70.510 -2.182 25852 11978 1 18 . 1 1 44 44 THR H H 44 8.711 8.711 8.320 0.391 25852 11979 1 18 . 1 1 45 45 GLU N N 45 120.233 120.233 122.884 -2.651 25852 11980 1 18 . 1 1 45 45 GLU HA H 45 3.892 3.892 4.205 -0.313 25852 11981 1 18 . 1 1 45 45 GLU CA C 45 56.756 56.756 59.159 -2.403 25852 11982 1 18 . 1 1 45 45 GLU CB C 45 26.393 26.393 29.515 -3.122 25852 11983 1 18 . 1 1 45 45 GLU H H 45 8.781 8.781 8.877 -0.096 25852 11984 1 18 . 1 1 46 46 ALA N N 46 120.833 120.833 122.914 -2.081 25852 11985 1 18 . 1 1 46 46 ALA HA H 46 3.868 3.868 4.201 -0.333 25852 11986 1 18 . 1 1 46 46 ALA CA C 46 52.310 52.310 54.751 -2.441 25852 11987 1 18 . 1 1 46 46 ALA CB C 46 15.394 15.394 18.229 -2.835 25852 11988 1 18 . 1 1 46 46 ALA H H 46 8.251 8.251 8.082 0.169 25852 11989 1 18 . 1 1 47 47 GLU N N 47 118.672 118.672 118.486 0.186 25852 11990 1 18 . 1 1 47 47 GLU HA H 47 3.965 3.965 4.133 -0.168 25852 11991 1 18 . 1 1 47 47 GLU CA C 47 56.641 56.641 58.784 -2.143 25852 11992 1 18 . 1 1 47 47 GLU CB C 47 26.623 26.623 29.398 -2.775 25852 11993 1 18 . 1 1 47 47 GLU H H 47 7.668 7.668 8.569 -0.901 25852 11994 1 18 . 1 1 48 48 LEU N N 48 119.645 119.645 119.231 0.414 25852 11995 1 18 . 1 1 48 48 LEU HA H 48 3.892 3.892 4.156 -0.264 25852 11996 1 18 . 1 1 48 48 LEU CA C 48 55.610 55.610 57.864 -2.254 25852 11997 1 18 . 1 1 48 48 LEU CB C 48 39.340 39.340 41.434 -2.094 25852 11998 1 18 . 1 1 48 48 LEU H H 48 8.244 8.244 7.769 0.475 25852 11999 1 18 . 1 1 49 49 GLN N N 49 117.446 117.446 117.336 0.110 25852 12000 1 18 . 1 1 49 49 GLN HA H 49 3.892 3.892 4.251 -0.359 25852 12001 1 18 . 1 1 49 49 GLN CA C 49 56.756 56.756 57.939 -1.183 25852 12002 1 18 . 1 1 49 49 GLN CB C 49 26.508 26.508 28.782 -2.273 25852 12003 1 18 . 1 1 49 49 GLN H H 49 7.980 7.980 7.842 0.138 25852 12004 1 18 . 1 1 50 50 ASP N N 50 118.733 118.733 120.940 -2.207 25852 12005 1 18 . 1 1 50 50 ASP HA H 50 4.267 4.267 4.515 -0.248 25852 12006 1 18 . 1 1 50 50 ASP CA C 50 54.700 54.700 56.905 -2.205 25852 12007 1 18 . 1 1 50 50 ASP CB C 50 37.622 37.622 40.967 -3.345 25852 12008 1 18 . 1 1 50 50 ASP H H 50 7.761 7.761 7.778 -0.017 25852 12009 1 18 . 1 1 51 51 MET N N 51 118.996 118.996 118.508 0.488 25852 12010 1 18 . 1 1 51 51 MET HA H 51 3.892 3.892 4.376 -0.484 25852 12011 1 18 . 1 1 51 51 MET CA C 51 56.560 56.560 57.386 -0.826 25852 12012 1 18 . 1 1 51 51 MET CB C 51 29.601 29.601 33.196 -3.595 25852 12013 1 18 . 1 1 51 51 MET H H 51 7.900 7.900 8.352 -0.452 25852 12014 1 18 . 1 1 52 52 ILE N N 52 118.833 118.833 120.205 -1.372 25852 12015 1 18 . 1 1 52 52 ILE HA H 52 3.348 3.348 3.700 -0.352 25852 12016 1 18 . 1 1 52 52 ILE CA C 52 62.484 62.484 65.381 -2.897 25852 12017 1 18 . 1 1 52 52 ILE CB C 52 35.330 35.330 37.551 -2.221 25852 12018 1 18 . 1 1 52 52 ILE H H 52 8.261 8.261 7.859 0.402 25852 12019 1 18 . 1 1 53 53 ASN N N 53 117.296 117.296 117.905 -0.609 25852 12020 1 18 . 1 1 53 53 ASN HA H 53 4.243 4.243 4.457 -0.214 25852 12021 1 18 . 1 1 53 53 ASN CA C 53 53.090 53.090 56.155 -3.065 25852 12022 1 18 . 1 1 53 53 ASN CB C 53 35.330 35.330 38.489 -3.159 25852 12023 1 18 . 1 1 53 53 ASN H H 53 8.186 8.186 7.703 0.483 25852 12024 1 18 . 1 1 54 54 GLU N N 54 117.133 117.133 117.458 -0.325 25852 12025 1 18 . 1 1 54 54 GLU HA H 54 3.965 3.965 4.269 -0.304 25852 12026 1 18 . 1 1 54 54 GLU CA C 54 56.412 56.412 57.406 -0.994 25852 12027 1 18 . 1 1 54 54 GLU CB C 54 26.508 26.508 30.060 -3.552 25852 12028 1 18 . 1 1 54 54 GLU H H 54 7.501 7.501 7.614 -0.113 25852 12029 1 18 . 1 1 55 55 VAL N N 55 112.928 112.928 119.388 -6.460 25852 12030 1 18 . 1 1 55 55 VAL HA H 55 4.194 4.194 3.935 0.259 25852 12031 1 18 . 1 1 55 55 VAL CA C 55 59.505 59.505 65.827 -6.322 25852 12032 1 18 . 1 1 55 55 VAL CB C 55 30.174 30.174 32.409 -2.235 25852 12033 1 18 . 1 1 55 55 VAL H H 55 7.575 7.575 7.925 -0.350 25852 12034 1 18 . 1 1 56 56 ASP N N 56 121.771 121.771 120.148 1.623 25852 12035 1 18 . 1 1 56 56 ASP HA H 56 4.388 4.388 4.537 -0.149 25852 12036 1 18 . 1 1 56 56 ASP CA C 56 50.990 50.990 54.777 -3.787 25852 12037 1 18 . 1 1 56 56 ASP CB C 56 36.820 36.820 40.389 -3.569 25852 12038 1 18 . 1 1 56 56 ASP H H 56 8.401 8.401 8.112 0.289 25852 12039 1 18 . 1 1 57 57 ALA N N 57 124.771 124.771 120.570 4.201 25852 12040 1 18 . 1 1 57 57 ALA HA H 57 4.001 4.001 4.281 -0.280 25852 12041 1 18 . 1 1 57 57 ALA CA C 57 52.402 52.402 53.529 -1.127 25852 12042 1 18 . 1 1 57 57 ALA CB C 57 15.280 15.280 19.148 -3.868 25852 12043 1 18 . 1 1 57 57 ALA H H 57 8.097 8.097 7.497 0.600 25852 12044 1 18 . 1 1 58 58 ASP N N 58 114.518 114.518 118.651 -4.133 25852 12045 1 18 . 1 1 58 58 ASP HA H 58 4.400 4.400 4.688 -0.288 25852 12046 1 18 . 1 1 58 58 ASP CA C 58 50.798 50.798 54.003 -3.205 25852 12047 1 18 . 1 1 58 58 ASP CB C 58 36.934 36.934 42.021 -5.087 25852 12048 1 18 . 1 1 58 58 ASP H H 58 8.376 8.376 7.739 0.637 25852 12049 1 18 . 1 1 59 59 GLY N N 59 108.798 108.798 106.845 1.953 25852 12050 1 18 . 1 1 59 59 GLY CA C 59 44.490 44.490 45.780 -1.290 25852 12051 1 18 . 1 1 59 59 GLY H H 59 7.827 7.827 8.535 -0.708 25852 12052 1 18 . 1 1 60 60 ASN N N 60 119.696 119.696 118.227 1.469 25852 12053 1 18 . 1 1 60 60 ASN HA H 60 4.688 4.688 4.850 -0.162 25852 12054 1 18 . 1 1 60 60 ASN CA C 60 51.943 51.943 53.197 -1.254 25852 12055 1 18 . 1 1 60 60 ASN CB C 60 38.424 38.424 39.505 -1.081 25852 12056 1 18 . 1 1 60 60 ASN H H 60 9.253 9.253 8.480 0.773 25852 12057 1 18 . 1 1 61 61 GLY N N 61 110.108 110.108 109.142 0.966 25852 12058 1 18 . 1 1 61 61 GLY CA C 61 42.870 42.870 45.580 -2.710 25852 12059 1 18 . 1 1 61 61 GLY H H 61 10.004 10.004 8.811 1.193 25852 12060 1 18 . 1 1 62 62 THR N N 62 110.533 110.533 111.806 -1.273 25852 12061 1 18 . 1 1 62 62 THR HA H 62 4.629 4.629 5.056 -0.427 25852 12062 1 18 . 1 1 62 62 THR CA C 62 59.162 59.162 59.493 -0.331 25852 12063 1 18 . 1 1 62 62 THR CB C 62 67.526 67.526 72.586 -5.060 25852 12064 1 18 . 1 1 62 62 THR H H 62 7.481 7.481 7.441 0.040 25852 12065 1 18 . 1 1 63 63 ILE N N 63 118.533 118.533 122.443 -3.910 25852 12066 1 18 . 1 1 63 63 ILE HA H 63 3.783 3.783 4.403 -0.620 25852 12067 1 18 . 1 1 63 63 ILE CA C 63 60.537 60.537 60.224 0.313 25852 12068 1 18 . 1 1 63 63 ILE CB C 63 36.018 36.018 40.206 -4.188 25852 12069 1 18 . 1 1 63 63 ILE H H 63 8.820 8.820 8.753 0.067 25852 12070 1 18 . 1 1 64 64 ASP N N 64 122.928 122.928 128.556 -5.628 25852 12071 1 18 . 1 1 64 64 ASP HA H 64 4.327 4.327 5.126 -0.799 25852 12072 1 18 . 1 1 64 64 ASP CA C 64 51.027 51.027 53.627 -2.600 25852 12073 1 18 . 1 1 64 64 ASP CB C 64 37.278 37.278 43.501 -6.223 25852 12074 1 18 . 1 1 64 64 ASP H H 64 8.380 8.380 8.774 -0.394 25852 12075 1 18 . 1 1 65 65 PHE N N 65 118.559 118.559 118.171 0.388 25852 12076 1 18 . 1 1 65 65 PHE HA H 65 3.880 3.880 4.890 -1.010 25852 12077 1 18 . 1 1 65 65 PHE CA C 65 56.870 56.870 61.162 -4.292 25852 12078 1 18 . 1 1 65 65 PHE CB C 65 33.497 33.497 36.524 -3.027 25852 12079 1 18 . 1 1 65 65 PHE H H 65 8.559 8.559 8.362 0.197 25852 12080 1 18 . 1 1 67 67 GLU N N 67 117.546 117.546 115.908 1.638 25852 12081 1 18 . 1 1 67 67 GLU HA H 67 3.904 3.904 4.245 -0.341 25852 12082 1 18 . 1 1 67 67 GLU CA C 67 56.870 56.870 57.716 -0.846 25852 12083 1 18 . 1 1 67 67 GLU CB C 67 26.623 26.623 29.874 -3.251 25852 12084 1 18 . 1 1 67 67 GLU H H 67 7.995 7.995 8.152 -0.157 25852 12085 1 18 . 1 1 68 68 PHE N N 68 122.032 122.032 120.706 1.326 25852 12086 1 18 . 1 1 68 68 PHE HA H 68 3.904 3.904 4.350 -0.446 25852 12087 1 18 . 1 1 68 68 PHE CA C 68 59.047 59.047 60.596 -1.549 25852 12088 1 18 . 1 1 68 68 PHE CB C 68 36.934 36.934 39.857 -2.923 25852 12089 1 18 . 1 1 68 68 PHE H H 68 8.377 8.377 7.536 0.841 25852 12090 1 18 . 1 1 69 69 LEU N N 69 118.488 118.488 118.907 -0.419 25852 12091 1 18 . 1 1 69 69 LEU HA H 69 3.179 3.179 3.776 -0.597 25852 12092 1 18 . 1 1 69 69 LEU CA C 69 55.158 55.158 58.044 -2.886 25852 12093 1 18 . 1 1 69 69 LEU CB C 69 38.195 38.195 41.401 -3.206 25852 12094 1 18 . 1 1 69 69 LEU H H 69 8.393 8.393 7.210 1.183 25852 12095 1 18 . 1 1 70 70 THR N N 70 115.208 115.208 114.655 0.553 25852 12096 1 18 . 1 1 70 70 THR HA H 70 3.638 3.638 3.804 -0.166 25852 12097 1 18 . 1 1 70 70 THR CA C 70 63.630 63.630 66.900 -3.270 25852 12098 1 18 . 1 1 70 70 THR CB C 70 65.578 65.578 68.208 -2.630 25852 12099 1 18 . 1 1 70 70 THR H H 70 7.658 7.658 8.135 -0.477 25852 12100 1 18 . 1 1 71 71 MET N N 71 121.221 121.221 118.549 2.672 25852 12101 1 18 . 1 1 71 71 MET HA H 71 3.892 3.892 4.090 -0.198 25852 12102 1 18 . 1 1 71 71 MET CA C 71 56.303 56.303 58.700 -2.397 25852 12103 1 18 . 1 1 71 71 MET CB C 71 29.831 29.831 31.575 -1.744 25852 12104 1 18 . 1 1 71 71 MET H H 71 7.653 7.653 7.179 0.474 25852 12105 1 18 . 1 1 72 72 MET N N 72 117.459 117.459 117.976 -0.517 25852 12106 1 18 . 1 1 72 72 MET HA H 72 3.892 3.892 4.332 -0.440 25852 12107 1 18 . 1 1 72 72 MET CA C 72 53.777 53.777 57.763 -3.986 25852 12108 1 18 . 1 1 72 72 MET CB C 72 29.029 29.029 32.502 -3.473 25852 12109 1 18 . 1 1 72 72 MET H H 72 7.956 7.956 7.531 0.425 25852 12110 1 18 . 1 1 73 73 ALA N N 73 120.856 120.856 121.389 -0.533 25852 12111 1 18 . 1 1 73 73 ALA HA H 73 3.868 3.868 4.238 -0.370 25852 12112 1 18 . 1 1 73 73 ALA CA C 73 52.402 52.402 54.421 -2.019 25852 12113 1 18 . 1 1 73 73 ALA CB C 73 15.280 15.280 19.017 -3.737 25852 12114 1 18 . 1 1 73 73 ALA H H 73 8.230 8.230 8.115 0.115 25852 12115 1 18 . 1 1 74 74 ARG N N 74 116.530 116.530 116.885 -0.355 25852 12116 1 18 . 1 1 74 74 ARG HA H 74 3.892 3.892 4.469 -0.577 25852 12117 1 18 . 1 1 74 74 ARG CA C 74 56.297 56.297 57.885 -1.588 25852 12118 1 18 . 1 1 74 74 ARG CB C 74 27.997 27.997 30.477 -2.479 25852 12119 1 18 . 1 1 74 74 ARG H H 74 7.409 7.409 7.810 -0.401 25852 12120 1 18 . 1 1 75 75 LYS N N 75 118.008 118.008 119.107 -1.099 25852 12121 1 18 . 1 1 75 75 LYS HA H 75 3.965 3.965 4.150 -0.185 25852 12122 1 18 . 1 1 75 75 LYS CA C 75 55.495 55.495 58.786 -3.291 25852 12123 1 18 . 1 1 75 75 LYS CB C 75 26.279 26.279 32.185 -5.907 25852 12124 1 18 . 1 1 75 75 LYS H H 75 7.657 7.657 8.213 -0.556 25852 12125 1 18 . 1 1 76 76 MET N N 76 117.646 117.646 112.857 4.789 25852 12126 1 18 . 1 1 76 76 MET HA H 76 4.146 4.146 4.772 -0.626 25852 12127 1 18 . 1 1 76 76 MET CA C 76 53.947 53.947 56.248 -2.300 25852 12128 1 18 . 1 1 76 76 MET CB C 76 29.487 29.487 34.119 -4.632 25852 12129 1 18 . 1 1 76 76 MET H H 76 7.883 7.883 7.353 0.530 25852 12130 1 18 . 1 1 77 77 LYS N N 77 120.334 120.334 120.181 0.153 25852 12131 1 18 . 1 1 77 77 LYS HA H 77 3.941 3.941 4.348 -0.407 25852 12132 1 18 . 1 1 77 77 LYS CA C 77 56.526 56.526 58.533 -2.007 25852 12133 1 18 . 1 1 77 77 LYS CB C 77 27.425 27.425 32.503 -5.078 25852 12134 1 18 . 1 1 77 77 LYS H H 77 7.658 7.658 7.718 -0.060 25852 12135 1 18 . 1 1 78 78 ASP N N 78 121.733 121.733 118.197 3.536 25852 12136 1 18 . 1 1 78 78 ASP HA H 78 4.194 4.194 4.696 -0.502 25852 12137 1 18 . 1 1 78 78 ASP CA C 78 52.516 52.516 55.982 -3.466 25852 12138 1 18 . 1 1 78 78 ASP CB C 78 40.028 40.028 41.229 -1.201 25852 12139 1 18 . 1 1 78 78 ASP H H 78 8.212 8.212 7.879 0.333 25852 12140 1 18 . 1 1 79 79 THR N N 79 114.651 114.651 114.148 0.503 25852 12141 1 18 . 1 1 79 79 THR HA H 79 4.170 4.170 4.199 -0.029 25852 12142 1 18 . 1 1 79 79 THR CA C 79 59.391 59.391 64.157 -4.766 25852 12143 1 18 . 1 1 79 79 THR CB C 79 67.067 67.067 69.448 -2.381 25852 12144 1 18 . 1 1 79 79 THR H H 79 8.048 8.048 8.084 -0.036 25852 12145 1 18 . 1 1 80 80 ASP N N 80 122.484 122.484 119.351 3.133 25852 12146 1 18 . 1 1 80 80 ASP HA H 80 4.363 4.363 4.872 -0.509 25852 12147 1 18 . 1 1 80 80 ASP CA C 80 50.850 50.850 54.489 -3.639 25852 12148 1 18 . 1 1 80 80 ASP CB C 80 36.705 36.705 42.811 -6.106 25852 12149 1 18 . 1 1 80 80 ASP H H 80 8.432 8.432 8.105 0.327 25852 12150 1 18 . 1 1 81 81 SER N N 81 117.135 117.135 116.545 0.590 25852 12151 1 18 . 1 1 81 81 SER HA H 81 4.267 4.267 4.381 -0.114 25852 12152 1 18 . 1 1 81 81 SER CA C 81 56.870 56.870 60.240 -3.370 25852 12153 1 18 . 1 1 81 81 SER CB C 81 60.884 60.884 63.859 -2.975 25852 12154 1 18 . 1 1 81 81 SER H H 81 8.403 8.403 8.636 -0.233 25852 12155 1 18 . 1 1 82 82 GLU N N 82 121.723 121.723 120.801 0.922 25852 12156 1 18 . 1 1 82 82 GLU HA H 82 3.883 3.883 4.243 -0.360 25852 12157 1 18 . 1 1 82 82 GLU CA C 82 56.707 56.707 58.471 -1.764 25852 12158 1 18 . 1 1 82 82 GLU CB C 82 29.831 29.831 29.637 0.194 25852 12159 1 18 . 1 1 82 82 GLU H H 82 8.443 8.443 8.569 -0.126 25852 12160 1 18 . 1 1 83 83 GLU N N 83 119.259 119.259 119.415 -0.156 25852 12161 1 18 . 1 1 83 83 GLU HA H 83 3.883 3.883 4.163 -0.280 25852 12162 1 18 . 1 1 83 83 GLU CA C 83 56.606 56.606 58.489 -1.883 25852 12163 1 18 . 1 1 83 83 GLU CB C 83 29.364 29.364 29.255 0.109 25852 12164 1 18 . 1 1 83 83 GLU H H 83 8.118 8.118 8.574 -0.456 25852 12165 1 18 . 1 1 84 84 GLU N N 84 118.060 118.060 118.890 -0.830 25852 12166 1 18 . 1 1 84 84 GLU HA H 84 3.871 3.871 4.527 -0.656 25852 12167 1 18 . 1 1 84 84 GLU CA C 84 56.606 56.606 58.768 -2.162 25852 12168 1 18 . 1 1 84 84 GLU CB C 84 25.817 25.817 29.368 -3.551 25852 12169 1 18 . 1 1 84 84 GLU H H 84 8.212 8.212 7.876 0.336 25852 12170 1 18 . 1 1 85 85 ILE N N 85 120.736 120.736 117.087 3.649 25852 12171 1 18 . 1 1 85 85 ILE HA H 85 3.678 3.678 4.051 -0.373 25852 12172 1 18 . 1 1 85 85 ILE CA C 85 62.484 62.484 64.502 -2.018 25852 12173 1 18 . 1 1 85 85 ILE CB C 85 35.445 35.445 38.522 -3.077 25852 12174 1 18 . 1 1 85 85 ILE H H 85 7.964 7.964 7.310 0.654 25852 12175 1 18 . 1 1 86 86 ARG N N 86 121.452 121.452 120.387 1.065 25852 12176 1 18 . 1 1 86 86 ARG HA H 86 3.989 3.989 4.270 -0.281 25852 12177 1 18 . 1 1 86 86 ARG CA C 86 56.985 56.985 58.871 -1.886 25852 12178 1 18 . 1 1 86 86 ARG CB C 86 26.856 26.856 29.261 -2.405 25852 12179 1 18 . 1 1 86 86 ARG H H 86 8.351 8.351 8.248 0.103 25852 12180 1 18 . 1 1 87 87 GLU N N 87 118.288 118.288 119.473 -1.185 25852 12181 1 18 . 1 1 87 87 GLU HA H 87 3.861 3.861 4.229 -0.368 25852 12182 1 18 . 1 1 87 87 GLU CA C 87 56.606 56.606 58.445 -1.839 25852 12183 1 18 . 1 1 87 87 GLU CB C 87 25.817 25.817 29.234 -3.417 25852 12184 1 18 . 1 1 87 87 GLU H H 87 8.238 8.238 8.365 -0.127 25852 12185 1 18 . 1 1 88 88 ALA N N 88 120.408 120.408 121.728 -1.320 25852 12186 1 18 . 1 1 88 88 ALA HA H 88 4.013 4.013 4.319 -0.306 25852 12187 1 18 . 1 1 88 88 ALA CA C 88 52.263 52.263 54.670 -2.407 25852 12188 1 18 . 1 1 88 88 ALA CB C 88 15.080 15.080 18.622 -3.542 25852 12189 1 18 . 1 1 88 88 ALA H H 88 7.960 7.960 8.146 -0.186 25852 12190 1 18 . 1 1 89 89 PHE N N 89 118.123 118.123 117.715 0.408 25852 12191 1 18 . 1 1 89 89 PHE HA H 89 3.058 3.058 3.452 -0.394 25852 12192 1 18 . 1 1 89 89 PHE CA C 89 59.703 59.703 59.033 0.670 25852 12193 1 18 . 1 1 89 89 PHE CB C 89 36.774 36.774 38.725 -1.951 25852 12194 1 18 . 1 1 89 89 PHE H H 89 8.498 8.498 7.633 0.865 25852 12195 1 18 . 1 1 90 90 ARG N N 90 116.002 116.002 119.249 -3.247 25852 12196 1 18 . 1 1 90 90 ARG HA H 90 3.892 3.892 3.581 0.311 25852 12197 1 18 . 1 1 90 90 ARG CA C 90 56.168 56.168 58.223 -2.055 25852 12198 1 18 . 1 1 90 90 ARG CB C 90 27.654 27.654 29.669 -2.015 25852 12199 1 18 . 1 1 90 90 ARG H H 90 7.860 7.860 7.352 0.508 25852 12200 1 18 . 1 1 91 91 VAL N N 91 118.008 118.008 117.686 0.322 25852 12201 1 18 . 1 1 91 91 VAL HA H 91 3.243 3.243 3.836 -0.593 25852 12202 1 18 . 1 1 91 91 VAL CA C 91 63.357 63.357 64.037 -0.680 25852 12203 1 18 . 1 1 91 91 VAL CB C 91 28.444 28.444 32.288 -3.844 25852 12204 1 18 . 1 1 91 91 VAL H H 91 7.300 7.300 7.608 -0.308 25852 12205 1 18 . 1 1 92 92 PHE N N 92 113.024 113.024 116.139 -3.115 25852 12206 1 18 . 1 1 92 92 PHE HA H 92 3.967 3.967 4.462 -0.495 25852 12207 1 18 . 1 1 92 92 PHE CA C 92 57.558 57.558 59.164 -1.607 25852 12208 1 18 . 1 1 92 92 PHE CB C 92 38.838 38.838 40.418 -1.580 25852 12209 1 18 . 1 1 92 92 PHE H H 92 6.805 6.805 7.322 -0.517 25852 12210 1 18 . 1 1 93 93 ASP N N 93 116.393 116.393 119.969 -3.576 25852 12211 1 18 . 1 1 93 93 ASP HA H 93 4.496 4.496 4.414 0.082 25852 12212 1 18 . 1 1 93 93 ASP CA C 93 49.525 49.525 55.081 -5.556 25852 12213 1 18 . 1 1 93 93 ASP CB C 93 35.788 35.788 39.774 -3.986 25852 12214 1 18 . 1 1 93 93 ASP H H 93 8.018 8.018 8.040 -0.022 25852 12215 1 18 . 1 1 94 94 LYS N N 94 125.158 125.158 123.690 1.468 25852 12216 1 18 . 1 1 94 94 LYS HA H 94 3.892 3.892 4.047 -0.155 25852 12217 1 18 . 1 1 94 94 LYS CA C 94 56.183 56.183 58.303 -2.120 25852 12218 1 18 . 1 1 94 94 LYS CB C 94 29.945 29.945 33.043 -3.098 25852 12219 1 18 . 1 1 94 94 LYS H H 94 7.721 7.721 7.888 -0.167 25852 12220 1 18 . 1 1 95 95 ASP N N 95 113.893 113.893 117.250 -3.357 25852 12221 1 18 . 1 1 95 95 ASP HA H 95 4.415 4.415 4.466 -0.051 25852 12222 1 18 . 1 1 95 95 ASP CA C 95 50.683 50.683 54.902 -4.219 25852 12223 1 18 . 1 1 95 95 ASP CB C 95 36.774 36.774 40.458 -3.684 25852 12224 1 18 . 1 1 95 95 ASP H H 95 8.156 8.156 8.185 -0.029 25852 12225 1 18 . 1 1 96 96 GLY N N 96 108.799 108.799 106.919 1.880 25852 12226 1 18 . 1 1 96 96 GLY CA C 96 44.344 44.344 45.446 -1.102 25852 12227 1 18 . 1 1 96 96 GLY H H 96 7.717 7.717 8.138 -0.421 25852 12228 1 18 . 1 1 97 97 ASN N N 97 119.381 119.381 118.544 0.837 25852 12229 1 18 . 1 1 97 97 ASN HA H 97 4.500 4.500 4.832 -0.332 25852 12230 1 18 . 1 1 97 97 ASN CA C 97 49.916 49.916 53.779 -3.863 25852 12231 1 18 . 1 1 97 97 ASN CB C 97 35.183 35.183 39.354 -4.171 25852 12232 1 18 . 1 1 97 97 ASN H H 97 8.312 8.312 8.687 -0.375 25852 12233 1 18 . 1 1 98 98 GLY N N 98 112.330 112.330 107.263 5.067 25852 12234 1 18 . 1 1 98 98 GLY CA C 98 42.434 42.434 45.233 -2.799 25852 12235 1 18 . 1 1 98 98 GLY H H 98 10.555 10.555 7.913 2.642 25852 12236 1 18 . 1 1 99 99 TYR N N 99 116.075 116.075 119.951 -3.876 25852 12237 1 18 . 1 1 99 99 TYR HA H 99 4.871 4.871 5.079 -0.208 25852 12238 1 18 . 1 1 99 99 TYR CA C 99 53.582 53.582 56.022 -2.440 25852 12239 1 18 . 1 1 99 99 TYR CB C 99 39.981 39.981 38.964 1.017 25852 12240 1 18 . 1 1 99 99 TYR H H 99 7.650 7.650 7.438 0.212 25852 12241 1 18 . 1 1 100 100 ILE N N 100 126.834 126.834 126.184 0.650 25852 12242 1 18 . 1 1 100 100 ILE HA H 100 4.493 4.493 4.108 0.385 25852 12243 1 18 . 1 1 100 100 ILE CA C 100 58.616 58.616 61.799 -3.183 25852 12244 1 18 . 1 1 100 100 ILE CB C 100 35.903 35.903 36.806 -0.903 25852 12245 1 18 . 1 1 100 100 ILE H H 100 10.037 10.037 8.207 1.830 25852 12246 1 18 . 1 1 101 101 SER N N 101 123.486 123.486 122.288 1.198 25852 12247 1 18 . 1 1 101 101 SER HA H 101 4.738 4.738 4.337 0.401 25852 12248 1 18 . 1 1 101 101 SER CA C 101 52.897 52.897 58.332 -5.435 25852 12249 1 18 . 1 1 101 101 SER CB C 101 64.134 64.134 64.717 -0.583 25852 12250 1 18 . 1 1 101 101 SER H H 101 8.904 8.904 8.005 0.899 25852 12251 1 18 . 1 1 102 102 ALA N N 102 122.796 122.796 125.244 -2.448 25852 12252 1 18 . 1 1 102 102 ALA HA H 102 3.747 3.747 4.095 -0.348 25852 12253 1 18 . 1 1 102 102 ALA CA C 102 53.093 53.093 54.934 -1.841 25852 12254 1 18 . 1 1 102 102 ALA CB C 102 15.114 15.114 18.733 -3.619 25852 12255 1 18 . 1 1 102 102 ALA H H 102 9.246 9.246 8.657 0.589 25852 12256 1 18 . 1 1 103 103 ALA N N 103 118.362 118.362 117.533 0.829 25852 12257 1 18 . 1 1 103 103 ALA HA H 103 3.861 3.861 4.170 -0.309 25852 12258 1 18 . 1 1 103 103 ALA CA C 103 52.409 52.409 53.638 -1.228 25852 12259 1 18 . 1 1 103 103 ALA CB C 103 15.456 15.456 18.789 -3.333 25852 12260 1 18 . 1 1 103 103 ALA H H 103 8.214 8.214 8.270 -0.056 25852 12261 1 18 . 1 1 104 104 GLU N N 104 120.187 120.187 120.356 -0.169 25852 12262 1 18 . 1 1 104 104 GLU HA H 104 3.904 3.904 4.206 -0.302 25852 12263 1 18 . 1 1 104 104 GLU CA C 104 56.563 56.563 58.643 -2.080 25852 12264 1 18 . 1 1 104 104 GLU CB C 104 26.400 26.400 29.656 -3.256 25852 12265 1 18 . 1 1 104 104 GLU H H 104 7.864 7.864 7.996 -0.132 25852 12266 1 18 . 1 1 105 105 LEU N N 105 121.050 121.050 120.534 0.516 25852 12267 1 18 . 1 1 105 105 LEU HA H 105 3.892 3.892 4.319 -0.427 25852 12268 1 18 . 1 1 105 105 LEU CA C 105 55.732 55.732 58.118 -2.386 25852 12269 1 18 . 1 1 105 105 LEU CB C 105 39.340 39.340 42.190 -2.850 25852 12270 1 18 . 1 1 105 105 LEU H H 105 8.341 8.341 8.299 0.042 25852 12271 1 18 . 1 1 106 106 ARG N N 106 118.494 118.494 119.597 -1.103 25852 12272 1 18 . 1 1 106 106 ARG HA H 106 3.904 3.904 4.063 -0.159 25852 12273 1 18 . 1 1 106 106 ARG CA C 106 55.724 55.724 58.802 -3.078 25852 12274 1 18 . 1 1 106 106 ARG CB C 106 29.945 29.945 29.203 0.742 25852 12275 1 18 . 1 1 106 106 ARG H H 106 8.852 8.852 7.887 0.965 25852 12276 1 18 . 1 1 107 107 HIS N N 107 118.921 118.921 119.220 -0.299 25852 12277 1 18 . 1 1 107 107 HIS HA H 107 3.876 3.876 4.423 -0.547 25852 12278 1 18 . 1 1 107 107 HIS CA C 107 56.807 56.807 59.189 -2.382 25852 12279 1 18 . 1 1 107 107 HIS CB C 107 27.198 27.198 29.774 -2.576 25852 12280 1 18 . 1 1 107 107 HIS H H 107 8.045 8.045 8.593 -0.548 25852 12281 1 18 . 1 1 108 108 VAL N N 108 118.991 118.991 121.091 -2.100 25852 12282 1 18 . 1 1 108 108 VAL HA H 108 3.385 3.385 3.597 -0.212 25852 12283 1 18 . 1 1 108 108 VAL CA C 108 64.285 64.285 66.437 -2.152 25852 12284 1 18 . 1 1 108 108 VAL CB C 108 28.908 28.908 31.504 -2.596 25852 12285 1 18 . 1 1 108 108 VAL H H 108 7.766 7.766 8.599 -0.833 25852 12286 1 18 . 1 1 109 109 MET N N 109 115.789 115.789 118.803 -3.014 25852 12287 1 18 . 1 1 109 109 MET HA H 109 4.139 4.139 4.129 0.010 25852 12288 1 18 . 1 1 109 109 MET CA C 109 54.461 54.461 57.900 -3.439 25852 12289 1 18 . 1 1 109 109 MET CB C 109 29.706 29.706 31.726 -2.020 25852 12290 1 18 . 1 1 109 109 MET H H 109 8.333 8.333 8.610 -0.277 25852 12291 1 18 . 1 1 110 110 THR N N 110 116.700 116.700 113.600 3.100 25852 12292 1 18 . 1 1 110 110 THR HA H 110 3.935 3.935 4.097 -0.162 25852 12293 1 18 . 1 1 110 110 THR CA C 110 63.845 63.845 65.008 -1.163 25852 12294 1 18 . 1 1 110 110 THR CB C 110 66.072 66.072 68.216 -2.144 25852 12295 1 18 . 1 1 110 110 THR H H 110 8.603 8.603 8.239 0.364 25852 12296 1 18 . 1 1 111 111 ASN N N 111 123.354 123.354 119.599 3.755 25852 12297 1 18 . 1 1 111 111 ASN HA H 111 4.242 4.242 4.581 -0.339 25852 12298 1 18 . 1 1 111 111 ASN CA C 111 53.093 53.093 55.453 -2.360 25852 12299 1 18 . 1 1 111 111 ASN CB C 111 35.292 35.292 38.884 -3.592 25852 12300 1 18 . 1 1 111 111 ASN H H 111 7.991 7.991 7.599 0.392 25852 12301 1 18 . 1 1 112 112 LEU N N 112 118.291 118.291 116.890 1.401 25852 12302 1 18 . 1 1 112 112 LEU HA H 112 4.182 4.182 4.168 0.014 25852 12303 1 18 . 1 1 112 112 LEU CA C 112 52.653 52.653 56.508 -3.855 25852 12304 1 18 . 1 1 112 112 LEU CB C 112 39.738 39.738 42.874 -3.136 25852 12305 1 18 . 1 1 112 112 LEU H H 112 7.754 7.754 7.995 -0.241 25852 12306 1 18 . 1 1 113 113 GLY N N 113 106.894 106.894 103.251 3.643 25852 12307 1 18 . 1 1 113 113 GLY CA C 113 42.536 42.536 44.436 -1.900 25852 12308 1 18 . 1 1 113 113 GLY H H 113 7.778 7.778 8.088 -0.310 25852 12309 1 18 . 1 1 114 114 GLU N N 114 119.776 119.776 121.305 -1.529 25852 12310 1 18 . 1 1 114 114 GLU HA H 114 4.267 4.267 4.489 -0.222 25852 12311 1 18 . 1 1 114 114 GLU CA C 114 52.067 52.067 55.206 -3.139 25852 12312 1 18 . 1 1 114 114 GLU CB C 114 26.616 26.616 32.203 -5.587 25852 12313 1 18 . 1 1 114 114 GLU H H 114 7.957 7.957 8.526 -0.569 25852 12314 1 18 . 1 1 115 115 LYS N N 115 124.429 124.429 121.543 2.886 25852 12315 1 18 . 1 1 115 115 LYS HA H 115 4.255 4.255 4.433 -0.178 25852 12316 1 18 . 1 1 115 115 LYS CA C 115 52.848 52.848 55.633 -2.785 25852 12317 1 18 . 1 1 115 115 LYS CB C 115 30.518 30.518 33.469 -2.951 25852 12318 1 18 . 1 1 115 115 LYS H H 115 8.591 8.591 8.404 0.187 25852 12319 1 18 . 1 1 116 116 LEU N N 116 124.724 124.724 125.608 -0.884 25852 12320 1 18 . 1 1 116 116 LEU HA H 116 4.690 4.690 4.904 -0.214 25852 12321 1 18 . 1 1 116 116 LEU CA C 116 51.089 51.089 54.116 -3.027 25852 12322 1 18 . 1 1 116 116 LEU CB C 116 42.588 42.588 45.692 -3.104 25852 12323 1 18 . 1 1 116 116 LEU H H 116 8.066 8.066 8.475 -0.409 25852 12324 1 18 . 1 1 117 117 THR N N 117 113.912 113.912 117.570 -3.658 25852 12325 1 18 . 1 1 117 117 THR HA H 117 4.302 4.302 4.388 -0.086 25852 12326 1 18 . 1 1 117 117 THR CA C 117 57.834 57.834 60.078 -2.244 25852 12327 1 18 . 1 1 117 117 THR CB C 117 68.580 68.580 70.784 -2.204 25852 12328 1 18 . 1 1 117 117 THR H H 117 9.165 9.165 8.648 0.517 25852 12329 1 18 . 1 1 118 118 ASP N N 118 120.787 120.787 121.158 -0.371 25852 12330 1 18 . 1 1 118 118 ASP HA H 118 4.061 4.061 4.377 -0.316 25852 12331 1 18 . 1 1 118 118 ASP CA C 118 55.243 55.243 58.389 -3.146 25852 12332 1 18 . 1 1 118 118 ASP CB C 118 37.002 37.002 41.132 -4.130 25852 12333 1 18 . 1 1 118 118 ASP H H 118 8.860 8.860 8.735 0.125 25852 12334 1 18 . 1 1 119 119 GLU N N 119 119.091 119.091 118.740 0.351 25852 12335 1 18 . 1 1 119 119 GLU HA H 119 3.892 3.892 4.184 -0.292 25852 12336 1 18 . 1 1 119 119 GLU CA C 119 57.149 57.149 58.067 -0.918 25852 12337 1 18 . 1 1 119 119 GLU CB C 119 25.931 25.931 29.074 -3.143 25852 12338 1 18 . 1 1 119 119 GLU H H 119 8.618 8.618 8.563 0.055 25852 12339 1 18 . 1 1 120 120 GLU N N 120 120.037 120.037 118.560 1.477 25852 12340 1 18 . 1 1 120 120 GLU HA H 120 3.880 3.880 4.201 -0.321 25852 12341 1 18 . 1 1 120 120 GLU CA C 120 56.319 56.319 58.500 -2.181 25852 12342 1 18 . 1 1 120 120 GLU CB C 120 25.830 25.830 29.311 -3.481 25852 12343 1 18 . 1 1 120 120 GLU H H 120 7.659 7.659 8.409 -0.750 25852 12344 1 18 . 1 1 121 121 VAL N N 121 122.512 122.512 120.035 2.477 25852 12345 1 18 . 1 1 121 121 VAL HA H 121 3.385 3.385 3.905 -0.520 25852 12346 1 18 . 1 1 121 121 VAL CA C 121 64.090 64.090 65.331 -1.241 25852 12347 1 18 . 1 1 121 121 VAL CB C 121 28.680 28.680 32.535 -3.855 25852 12348 1 18 . 1 1 121 121 VAL H H 121 7.887 7.887 8.020 -0.133 25852 12349 1 18 . 1 1 122 122 ASP N N 122 119.993 119.993 117.009 2.984 25852 12350 1 18 . 1 1 122 122 ASP HA H 122 4.157 4.157 4.613 -0.456 25852 12351 1 18 . 1 1 122 122 ASP CA C 122 54.901 54.901 55.407 -0.506 25852 12352 1 18 . 1 1 122 122 ASP CB C 122 37.572 37.572 40.043 -2.471 25852 12353 1 18 . 1 1 122 122 ASP H H 122 7.973 7.973 7.612 0.360 25852 12354 1 18 . 1 1 123 123 GLU N N 123 119.521 119.521 117.640 1.881 25852 12355 1 18 . 1 1 123 123 GLU HA H 123 3.880 3.880 4.415 -0.535 25852 12356 1 18 . 1 1 123 123 GLU CA C 123 56.612 56.612 57.893 -1.281 25852 12357 1 18 . 1 1 123 123 GLU CB C 123 26.172 26.172 30.893 -4.721 25852 12358 1 18 . 1 1 123 123 GLU H H 123 7.903 7.903 7.398 0.505 25852 12359 1 18 . 1 1 124 124 MET N N 124 118.961 118.961 118.507 0.454 25852 12360 1 18 . 1 1 124 124 MET HA H 124 3.892 3.892 4.326 -0.434 25852 12361 1 18 . 1 1 124 124 MET CA C 124 56.905 56.905 58.239 -1.335 25852 12362 1 18 . 1 1 124 124 MET CB C 124 29.250 29.250 32.196 -2.946 25852 12363 1 18 . 1 1 124 124 MET H H 124 7.496 7.496 7.871 -0.375 25852 12364 1 18 . 1 1 125 125 ILE N N 125 117.801 117.801 119.236 -1.435 25852 12365 1 18 . 1 1 125 125 ILE HA H 125 3.409 3.409 3.941 -0.532 25852 12366 1 18 . 1 1 125 125 ILE CA C 125 60.131 60.131 63.744 -3.613 25852 12367 1 18 . 1 1 125 125 ILE CB C 125 33.240 33.240 38.310 -5.071 25852 12368 1 18 . 1 1 125 125 ILE H H 125 7.762 7.762 7.498 0.264 25852 12369 1 18 . 1 1 126 126 ARG N N 126 117.729 117.729 118.234 -0.505 25852 12370 1 18 . 1 1 126 126 ARG HA H 126 3.883 3.883 3.969 -0.086 25852 12371 1 18 . 1 1 126 126 ARG CA C 126 56.673 56.673 59.269 -2.596 25852 12372 1 18 . 1 1 126 126 ARG CB C 126 29.478 29.478 29.980 -0.502 25852 12373 1 18 . 1 1 126 126 ARG H H 126 8.055 8.055 8.608 -0.553 25852 12374 1 18 . 1 1 127 127 GLU N N 127 117.539 117.539 116.596 0.943 25852 12375 1 18 . 1 1 127 127 GLU HA H 127 3.861 3.861 4.121 -0.260 25852 12376 1 18 . 1 1 127 127 GLU CA C 127 56.319 56.319 58.499 -2.180 25852 12377 1 18 . 1 1 127 127 GLU CB C 127 26.286 26.286 29.222 -2.936 25852 12378 1 18 . 1 1 127 127 GLU H H 127 7.700 7.700 7.791 -0.091 25852 12379 1 18 . 1 1 128 128 ALA N N 128 116.677 116.677 119.952 -3.275 25852 12380 1 18 . 1 1 128 128 ALA HA H 128 4.500 4.500 4.374 0.126 25852 12381 1 18 . 1 1 128 128 ALA CA C 128 48.205 48.205 51.933 -3.728 25852 12382 1 18 . 1 1 128 128 ALA CB C 128 19.633 19.633 20.551 -0.918 25852 12383 1 18 . 1 1 128 128 ALA H H 128 7.223 7.223 7.470 -0.247 25852 12384 1 18 . 1 1 129 129 ASP N N 129 118.030 118.030 119.495 -1.465 25852 12385 1 18 . 1 1 129 129 ASP HA H 129 4.460 4.460 4.871 -0.411 25852 12386 1 18 . 1 1 129 129 ASP CA C 129 51.485 51.485 56.371 -4.886 25852 12387 1 18 . 1 1 129 129 ASP CB C 129 38.195 38.195 41.423 -3.228 25852 12388 1 18 . 1 1 129 129 ASP H H 129 7.895 7.895 8.218 -0.323 25852 12389 1 18 . 1 1 130 130 ILE N N 130 127.693 127.693 125.718 1.975 25852 12390 1 18 . 1 1 130 130 ILE HA H 130 3.797 3.797 4.004 -0.207 25852 12391 1 18 . 1 1 130 130 ILE CA C 130 60.522 60.522 63.318 -2.796 25852 12392 1 18 . 1 1 130 130 ILE CB C 130 36.090 36.090 38.825 -2.735 25852 12393 1 18 . 1 1 130 130 ILE H H 130 8.148 8.148 9.256 -1.108 25852 12394 1 18 . 1 1 131 131 ASP N N 131 116.409 116.409 119.229 -2.820 25852 12395 1 18 . 1 1 131 131 ASP HA H 131 4.376 4.376 4.660 -0.284 25852 12396 1 18 . 1 1 131 131 ASP CA C 131 51.187 51.187 54.755 -3.568 25852 12397 1 18 . 1 1 131 131 ASP CB C 131 37.468 37.468 42.412 -4.944 25852 12398 1 18 . 1 1 131 131 ASP H H 131 8.288 8.288 7.963 0.325 25852 12399 1 18 . 1 1 132 132 GLY N N 132 108.363 108.363 108.981 -0.618 25852 12400 1 18 . 1 1 132 132 GLY CA C 132 44.638 44.638 44.908 -0.270 25852 12401 1 18 . 1 1 132 132 GLY H H 132 7.630 7.630 7.916 -0.286 25852 12402 1 18 . 1 1 133 133 ASP N N 133 120.183 120.183 120.475 -0.292 25852 12403 1 18 . 1 1 133 133 ASP HA H 133 4.329 4.329 4.504 -0.175 25852 12404 1 18 . 1 1 133 133 ASP CA C 133 50.942 50.942 55.680 -4.738 25852 12405 1 18 . 1 1 133 133 ASP CB C 133 37.458 37.458 41.271 -3.813 25852 12406 1 18 . 1 1 133 133 ASP H H 133 8.298 8.298 8.979 -0.681 25852 12407 1 18 . 1 1 134 134 GLY N N 134 112.149 112.149 106.541 5.608 25852 12408 1 18 . 1 1 134 134 GLY CA C 134 43.122 43.122 45.419 -2.297 25852 12409 1 18 . 1 1 134 134 GLY H H 134 10.079 10.079 8.349 1.730 25852 12410 1 18 . 1 1 135 135 GLN N N 135 115.069 115.069 118.004 -2.935 25852 12411 1 18 . 1 1 135 135 GLN HA H 135 4.844 4.844 4.566 0.278 25852 12412 1 18 . 1 1 135 135 GLN CA C 135 50.454 50.454 55.876 -5.422 25852 12413 1 18 . 1 1 135 135 GLN CB C 135 30.614 30.614 32.566 -1.952 25852 12414 1 18 . 1 1 135 135 GLN H H 135 7.922 7.922 7.744 0.178 25852 12415 1 18 . 1 1 136 136 VAL N N 136 125.107 125.107 117.721 7.386 25852 12416 1 18 . 1 1 136 136 VAL HA H 136 5.096 5.096 4.392 0.704 25852 12417 1 18 . 1 1 136 136 VAL CA C 136 58.713 58.713 62.251 -3.538 25852 12418 1 18 . 1 1 136 136 VAL CB C 136 31.416 31.416 32.510 -1.094 25852 12419 1 18 . 1 1 136 136 VAL H H 136 9.046 9.046 8.046 1.000 25852 12420 1 18 . 1 1 137 137 ASN N N 137 128.858 128.858 125.622 3.236 25852 12421 1 18 . 1 1 137 137 ASN HA H 137 5.226 5.226 4.971 0.255 25852 12422 1 18 . 1 1 137 137 ASN CA C 137 48.352 48.352 52.537 -4.185 25852 12423 1 18 . 1 1 137 137 ASN CB C 137 35.640 35.640 39.681 -4.040 25852 12424 1 18 . 1 1 137 137 ASN H H 137 9.458 9.458 9.153 0.305 25852 12425 1 18 . 1 1 138 138 TYR N N 138 118.481 118.481 120.632 -2.151 25852 12426 1 18 . 1 1 138 138 TYR HA H 138 3.603 3.603 4.091 -0.488 25852 12427 1 18 . 1 1 138 138 TYR CA C 138 59.669 59.669 62.685 -3.016 25852 12428 1 18 . 1 1 138 138 TYR CB C 138 37.572 37.572 37.930 -0.358 25852 12429 1 18 . 1 1 138 138 TYR H H 138 8.235 8.235 8.827 -0.592 25852 12430 1 18 . 1 1 139 139 GLU N N 139 118.474 118.474 118.781 -0.307 25852 12431 1 18 . 1 1 139 139 GLU HA H 139 3.868 3.868 4.135 -0.267 25852 12432 1 18 . 1 1 139 139 GLU CA C 139 57.540 57.540 59.380 -1.839 25852 12433 1 18 . 1 1 139 139 GLU CB C 139 26.274 26.274 28.953 -2.679 25852 12434 1 18 . 1 1 139 139 GLU H H 139 8.067 8.067 9.001 -0.934 25852 12435 1 18 . 1 1 140 140 GLU N N 140 119.279 119.279 119.260 0.019 25852 12436 1 18 . 1 1 140 140 GLU HA H 140 3.880 3.880 4.288 -0.408 25852 12437 1 18 . 1 1 140 140 GLU CA C 140 56.025 56.025 58.581 -2.556 25852 12438 1 18 . 1 1 140 140 GLU CB C 140 26.274 26.274 29.787 -3.513 25852 12439 1 18 . 1 1 140 140 GLU H H 140 8.742 8.742 8.560 0.182 25852 12440 1 18 . 1 1 141 141 PHE N N 141 124.141 124.141 120.716 3.425 25852 12441 1 18 . 1 1 141 141 PHE HA H 141 3.602 3.602 4.340 -0.738 25852 12442 1 18 . 1 1 141 141 PHE CA C 141 59.447 59.447 60.488 -1.041 25852 12443 1 18 . 1 1 141 141 PHE CB C 141 37.686 37.686 39.474 -1.788 25852 12444 1 18 . 1 1 141 141 PHE H H 141 8.593 8.593 7.804 0.789 25852 12445 1 18 . 1 1 142 142 VAL N N 142 118.383 118.383 117.256 1.127 25852 12446 1 18 . 1 1 142 142 VAL HA H 142 2.986 2.986 3.796 -0.810 25852 12447 1 18 . 1 1 142 142 VAL CA C 142 64.432 64.432 65.712 -1.280 25852 12448 1 18 . 1 1 142 142 VAL CB C 142 28.908 28.908 32.274 -3.366 25852 12449 1 18 . 1 1 142 142 VAL H H 142 8.776 8.776 8.098 0.678 25852 12450 1 18 . 1 1 143 143 GLN N N 143 119.891 119.891 120.725 -0.834 25852 12451 1 18 . 1 1 143 143 GLN HA H 143 3.671 3.671 3.982 -0.311 25852 12452 1 18 . 1 1 143 143 GLN CA C 143 56.514 56.514 58.618 -2.104 25852 12453 1 18 . 1 1 143 143 GLN CB C 143 25.246 25.246 27.830 -2.584 25852 12454 1 18 . 1 1 143 143 GLN H H 143 7.787 7.787 8.079 -0.292 25852 12455 1 18 . 1 1 144 144 MET N N 144 118.429 118.429 116.795 1.634 25852 12456 1 18 . 1 1 144 144 MET HA H 144 3.892 3.892 4.222 -0.330 25852 12457 1 18 . 1 1 144 144 MET CA C 144 55.683 55.683 58.143 -2.460 25852 12458 1 18 . 1 1 144 144 MET CB C 144 28.110 28.110 32.271 -4.161 25852 12459 1 18 . 1 1 144 144 MET H H 144 7.450 7.450 7.478 -0.028 25852 12460 1 18 . 1 1 145 145 MET N N 145 114.145 114.145 115.875 -1.730 25852 12461 1 18 . 1 1 145 145 MET HA H 145 3.905 3.905 4.432 -0.527 25852 12462 1 18 . 1 1 145 145 MET CA C 145 53.630 53.630 57.133 -3.503 25852 12463 1 18 . 1 1 145 145 MET CB C 145 29.592 29.592 33.100 -3.508 25852 12464 1 18 . 1 1 145 145 MET H H 145 7.724 7.724 7.788 -0.064 25852 12465 1 18 . 1 1 146 146 THR N N 146 108.482 108.482 112.683 -4.201 25852 12466 1 18 . 1 1 146 146 THR HA H 146 4.170 4.170 4.412 -0.242 25852 12467 1 18 . 1 1 146 146 THR CA C 146 59.251 59.251 62.039 -2.788 25852 12468 1 18 . 1 1 146 146 THR CB C 146 67.896 67.896 69.835 -1.939 25852 12469 1 18 . 1 1 146 146 THR H H 146 7.700 7.700 7.677 0.023 25852 12470 1 18 . 1 1 147 147 ALA N N 147 126.469 126.469 125.189 1.280 25852 12471 1 18 . 1 1 147 147 ALA HA H 147 4.095 4.095 4.076 0.019 25852 12472 1 18 . 1 1 147 147 ALA CA C 147 50.307 50.307 54.131 -3.824 25852 12473 1 18 . 1 1 147 147 ALA CB C 147 16.336 16.336 19.115 -2.779 25852 12474 1 18 . 1 1 147 147 ALA H H 147 7.291 7.291 8.819 -1.528 25852 12475 1 19 . 1 1 3 3 GLN N N 3 118.120 118.120 117.369 0.751 25852 12476 1 19 . 1 1 3 3 GLN HA H 3 4.688 4.688 4.860 -0.172 25852 12477 1 19 . 1 1 3 3 GLN CA C 3 53.500 53.500 54.598 -1.098 25852 12478 1 19 . 1 1 3 3 GLN CB C 3 29.475 29.475 32.580 -3.105 25852 12479 1 19 . 1 1 3 3 GLN H H 3 8.134 8.134 7.765 0.369 25852 12480 1 19 . 1 1 4 4 LEU N N 4 121.407 121.407 120.314 1.093 25852 12481 1 19 . 1 1 4 4 LEU HA H 4 4.460 4.460 4.899 -0.439 25852 12482 1 19 . 1 1 4 4 LEU CA C 4 51.650 51.650 54.215 -2.565 25852 12483 1 19 . 1 1 4 4 LEU CB C 4 40.715 40.715 42.963 -2.248 25852 12484 1 19 . 1 1 4 4 LEU H H 4 8.202 8.202 9.248 -1.046 25852 12485 1 19 . 1 1 5 5 THR N N 5 112.733 112.733 113.438 -0.705 25852 12486 1 19 . 1 1 5 5 THR HA H 5 4.265 4.265 4.503 -0.238 25852 12487 1 19 . 1 1 5 5 THR CA C 5 59.433 59.433 60.012 -0.579 25852 12488 1 19 . 1 1 5 5 THR CB C 5 67.475 67.475 70.131 -2.656 25852 12489 1 19 . 1 1 5 5 THR H H 5 8.691 8.691 8.041 0.650 25852 12490 1 19 . 1 1 6 6 GLU N N 6 119.971 119.971 120.667 -0.696 25852 12491 1 19 . 1 1 6 6 GLU HA H 6 3.854 3.854 3.938 -0.084 25852 12492 1 19 . 1 1 6 6 GLU CA C 6 56.756 56.756 59.486 -2.730 25852 12493 1 19 . 1 1 6 6 GLU CB C 6 26.508 26.508 29.274 -2.766 25852 12494 1 19 . 1 1 6 6 GLU H H 6 8.953 8.953 8.776 0.177 25852 12495 1 19 . 1 1 7 7 GLU N N 7 119.133 119.133 118.536 0.597 25852 12496 1 19 . 1 1 7 7 GLU HA H 7 3.898 3.898 3.994 -0.096 25852 12497 1 19 . 1 1 7 7 GLU CA C 7 56.756 56.756 59.408 -2.652 25852 12498 1 19 . 1 1 7 7 GLU CB C 7 26.279 26.279 28.691 -2.412 25852 12499 1 19 . 1 1 7 7 GLU H H 7 8.653 8.653 8.854 -0.201 25852 12500 1 19 . 1 1 8 8 GLN N N 8 120.207 120.207 117.904 2.303 25852 12501 1 19 . 1 1 8 8 GLN HA H 8 3.957 3.957 3.996 -0.039 25852 12502 1 19 . 1 1 8 8 GLN CA C 8 57.099 57.099 58.038 -0.939 25852 12503 1 19 . 1 1 8 8 GLN CB C 8 26.737 26.737 28.351 -1.614 25852 12504 1 19 . 1 1 8 8 GLN H H 8 7.645 7.645 7.511 0.134 25852 12505 1 19 . 1 1 9 9 ILE N N 9 118.171 118.171 119.633 -1.462 25852 12506 1 19 . 1 1 9 9 ILE HA H 9 3.354 3.354 3.675 -0.321 25852 12507 1 19 . 1 1 9 9 ILE CA C 9 62.714 62.714 64.409 -1.695 25852 12508 1 19 . 1 1 9 9 ILE CB C 9 35.216 35.216 37.543 -2.327 25852 12509 1 19 . 1 1 9 9 ILE H H 9 8.153 8.153 7.450 0.703 25852 12510 1 19 . 1 1 10 10 ALA N N 10 120.124 120.124 120.257 -0.133 25852 12511 1 19 . 1 1 10 10 ALA HA H 10 3.966 3.966 4.009 -0.043 25852 12512 1 19 . 1 1 10 10 ALA CA C 10 52.746 52.746 55.063 -2.317 25852 12513 1 19 . 1 1 10 10 ALA CB C 10 15.165 15.165 19.188 -4.023 25852 12514 1 19 . 1 1 10 10 ALA H H 10 7.835 7.835 8.234 -0.399 25852 12515 1 19 . 1 1 11 11 GLU N N 11 119.983 119.983 114.494 5.489 25852 12516 1 19 . 1 1 11 11 GLU HA H 11 3.904 3.904 4.817 -0.913 25852 12517 1 19 . 1 1 11 11 GLU CA C 11 56.560 56.560 56.802 -0.242 25852 12518 1 19 . 1 1 11 11 GLU CB C 11 27.425 27.425 31.567 -4.142 25852 12519 1 19 . 1 1 11 11 GLU H H 11 7.706 7.706 7.888 -0.182 25852 12520 1 19 . 1 1 12 12 PHE N N 12 119.907 119.907 120.430 -0.523 25852 12521 1 19 . 1 1 12 12 PHE HA H 12 4.726 4.726 4.291 0.435 25852 12522 1 19 . 1 1 12 12 PHE CA C 12 55.839 55.839 61.176 -5.337 25852 12523 1 19 . 1 1 12 12 PHE CB C 12 33.955 33.955 38.450 -4.495 25852 12524 1 19 . 1 1 12 12 PHE H H 12 8.728 8.728 8.085 0.643 25852 12525 1 19 . 1 1 13 13 LYS N N 13 121.208 121.208 119.525 1.683 25852 12526 1 19 . 1 1 13 13 LYS HA H 13 3.904 3.904 3.980 -0.076 25852 12527 1 19 . 1 1 13 13 LYS CA C 13 57.290 57.290 59.282 -1.992 25852 12528 1 19 . 1 1 13 13 LYS CB C 13 30.174 30.174 31.943 -1.769 25852 12529 1 19 . 1 1 13 13 LYS H H 13 9.161 9.161 8.010 1.151 25852 12530 1 19 . 1 1 14 14 GLU N N 14 120.226 120.226 120.857 -0.631 25852 12531 1 19 . 1 1 14 14 GLU HA H 14 3.953 3.953 4.161 -0.208 25852 12532 1 19 . 1 1 14 14 GLU CA C 14 56.460 56.460 58.957 -2.497 25852 12533 1 19 . 1 1 14 14 GLU CB C 14 26.623 26.623 29.359 -2.736 25852 12534 1 19 . 1 1 14 14 GLU H H 14 7.980 7.980 7.938 0.042 25852 12535 1 19 . 1 1 15 15 ALA N N 15 120.572 120.572 121.336 -0.764 25852 12536 1 19 . 1 1 15 15 ALA HA H 15 4.170 4.170 4.135 0.035 25852 12537 1 19 . 1 1 15 15 ALA CA C 15 52.750 52.750 54.835 -2.085 25852 12538 1 19 . 1 1 15 15 ALA CB C 15 16.425 16.425 18.541 -2.116 25852 12539 1 19 . 1 1 15 15 ALA H H 15 7.563 7.563 8.109 -0.546 25852 12540 1 19 . 1 1 16 16 PHE N N 16 117.784 117.784 116.622 1.162 25852 12541 1 19 . 1 1 16 16 PHE HA H 16 3.904 3.904 4.418 -0.514 25852 12542 1 19 . 1 1 16 16 PHE CA C 16 59.540 59.540 60.295 -0.756 25852 12543 1 19 . 1 1 16 16 PHE CB C 16 36.820 36.820 40.293 -3.473 25852 12544 1 19 . 1 1 16 16 PHE H H 16 8.453 8.453 7.533 0.920 25852 12545 1 19 . 1 1 17 17 SER N N 17 110.774 110.774 115.252 -4.478 25852 12546 1 19 . 1 1 17 17 SER HA H 17 4.086 4.086 4.296 -0.210 25852 12547 1 19 . 1 1 17 17 SER CA C 17 58.560 58.560 61.090 -2.530 25852 12548 1 19 . 1 1 17 17 SER CB C 17 60.651 60.651 63.614 -2.963 25852 12549 1 19 . 1 1 17 17 SER H H 17 8.351 8.351 8.516 -0.165 25852 12550 1 19 . 1 1 18 18 LEU N N 18 120.947 120.947 121.450 -0.503 25852 12551 1 19 . 1 1 18 18 LEU HA H 18 3.614 3.614 4.082 -0.468 25852 12552 1 19 . 1 1 18 18 LEU CA C 18 55.839 55.839 58.291 -2.452 25852 12553 1 19 . 1 1 18 18 LEU CB C 18 39.111 39.111 42.554 -3.443 25852 12554 1 19 . 1 1 18 18 LEU H H 18 7.278 7.278 8.438 -1.160 25852 12555 1 19 . 1 1 19 19 PHE N N 19 114.458 114.458 113.875 0.583 25852 12556 1 19 . 1 1 19 19 PHE HA H 19 3.904 3.904 4.571 -0.667 25852 12557 1 19 . 1 1 19 19 PHE CA C 19 56.870 56.870 57.725 -0.855 25852 12558 1 19 . 1 1 19 19 PHE CB C 19 33.841 33.841 41.291 -7.449 25852 12559 1 19 . 1 1 19 19 PHE H H 19 7.304 7.304 7.670 -0.366 25852 12560 1 19 . 1 1 20 20 ASP N N 20 122.233 122.233 121.607 0.626 25852 12561 1 19 . 1 1 20 20 ASP HA H 20 4.874 4.874 4.532 0.342 25852 12562 1 19 . 1 1 20 20 ASP CA C 20 50.454 50.454 54.000 -3.546 25852 12563 1 19 . 1 1 20 20 ASP CB C 20 37.622 37.622 39.054 -1.432 25852 12564 1 19 . 1 1 20 20 ASP H H 20 7.233 7.233 8.164 -0.931 25852 12565 1 19 . 1 1 21 21 LYS N N 21 123.433 123.433 119.988 3.445 25852 12566 1 19 . 1 1 21 21 LYS HA H 21 3.771 3.771 4.255 -0.484 25852 12567 1 19 . 1 1 21 21 LYS CA C 21 56.025 56.025 57.273 -1.248 25852 12568 1 19 . 1 1 21 21 LYS CB C 21 29.601 29.601 32.450 -2.849 25852 12569 1 19 . 1 1 21 21 LYS H H 21 8.007 8.007 8.057 -0.050 25852 12570 1 19 . 1 1 22 22 ASP N N 22 116.890 116.890 120.091 -3.201 25852 12571 1 19 . 1 1 22 22 ASP HA H 22 4.400 4.400 4.525 -0.125 25852 12572 1 19 . 1 1 22 22 ASP CA C 22 50.683 50.683 54.956 -4.273 25852 12573 1 19 . 1 1 22 22 ASP CB C 22 37.049 37.049 41.105 -4.056 25852 12574 1 19 . 1 1 22 22 ASP H H 22 8.641 8.641 8.272 0.369 25852 12575 1 19 . 1 1 23 23 GLY N N 23 110.068 110.068 107.773 2.295 25852 12576 1 19 . 1 1 23 23 GLY CA C 23 43.745 43.745 45.312 -1.567 25852 12577 1 19 . 1 1 23 23 GLY H H 23 7.938 7.938 8.305 -0.367 25852 12578 1 19 . 1 1 24 24 ASP N N 24 120.219 120.219 120.516 -0.297 25852 12579 1 19 . 1 1 24 24 ASP HA H 24 4.367 4.367 4.679 -0.312 25852 12580 1 19 . 1 1 24 24 ASP CA C 24 51.040 51.040 53.307 -2.267 25852 12581 1 19 . 1 1 24 24 ASP CB C 24 37.438 37.438 40.927 -3.489 25852 12582 1 19 . 1 1 24 24 ASP H H 24 8.723 8.723 8.266 0.457 25852 12583 1 19 . 1 1 25 25 GLY N N 25 111.889 111.889 109.057 2.832 25852 12584 1 19 . 1 1 25 25 GLY CA C 25 42.680 42.680 45.667 -2.987 25852 12585 1 19 . 1 1 25 25 GLY H H 25 10.132 10.132 8.396 1.736 25852 12586 1 19 . 1 1 26 26 THR N N 26 109.844 109.844 116.180 -6.336 25852 12587 1 19 . 1 1 26 26 THR HA H 26 5.386 5.386 4.285 1.101 25852 12588 1 19 . 1 1 26 26 THR CA C 26 56.950 56.950 59.981 -3.031 25852 12589 1 19 . 1 1 26 26 THR CB C 26 70.234 70.234 72.238 -2.004 25852 12590 1 19 . 1 1 26 26 THR H H 26 7.507 7.507 7.782 -0.275 25852 12591 1 19 . 1 1 27 27 ILE N N 27 110.289 110.289 117.269 -6.980 25852 12592 1 19 . 1 1 27 27 ILE HA H 27 3.891 3.891 4.349 -0.458 25852 12593 1 19 . 1 1 27 27 ILE CA C 27 58.360 58.360 60.815 -2.455 25852 12594 1 19 . 1 1 27 27 ILE CB C 27 35.559 35.559 38.485 -2.926 25852 12595 1 19 . 1 1 27 27 ILE H H 27 8.191 8.191 8.349 -0.158 25852 12596 1 19 . 1 1 28 28 THR N N 28 110.507 110.507 114.017 -3.510 25852 12597 1 19 . 1 1 28 28 THR HA H 28 4.895 4.895 4.320 0.575 25852 12598 1 19 . 1 1 28 28 THR CA C 28 57.787 57.787 61.606 -3.819 25852 12599 1 19 . 1 1 28 28 THR CB C 28 68.099 68.099 69.694 -1.595 25852 12600 1 19 . 1 1 28 28 THR H H 28 8.265 8.265 7.916 0.349 25852 12601 1 19 . 1 1 29 29 THR N N 29 112.331 112.331 113.999 -1.668 25852 12602 1 19 . 1 1 29 29 THR HA H 29 3.941 3.941 3.935 0.006 25852 12603 1 19 . 1 1 29 29 THR CA C 29 63.840 63.840 66.226 -2.386 25852 12604 1 19 . 1 1 29 29 THR CB C 29 65.807 65.807 68.645 -2.838 25852 12605 1 19 . 1 1 29 29 THR H H 29 8.225 8.225 8.524 -0.299 25852 12606 1 19 . 1 1 30 30 LYS N N 30 118.985 118.985 119.510 -0.525 25852 12607 1 19 . 1 1 30 30 LYS HA H 30 3.965 3.965 3.993 -0.028 25852 12608 1 19 . 1 1 30 30 LYS CA C 30 55.839 55.839 58.841 -3.002 25852 12609 1 19 . 1 1 30 30 LYS CB C 30 29.372 29.372 32.182 -2.810 25852 12610 1 19 . 1 1 30 30 LYS H H 30 7.559 7.559 8.359 -0.800 25852 12611 1 19 . 1 1 31 31 GLU N N 31 117.233 117.233 115.236 1.997 25852 12612 1 19 . 1 1 31 31 GLU HA H 31 3.965 3.965 4.085 -0.120 25852 12613 1 19 . 1 1 31 31 GLU CA C 31 57.140 57.140 56.754 0.386 25852 12614 1 19 . 1 1 31 31 GLU CB C 31 26.393 26.393 30.014 -3.621 25852 12615 1 19 . 1 1 31 31 GLU H H 31 7.431 7.431 7.693 -0.262 25852 12616 1 19 . 1 1 32 32 LEU N N 32 120.701 120.701 122.732 -2.031 25852 12617 1 19 . 1 1 32 32 LEU HA H 32 3.880 3.880 3.850 0.030 25852 12618 1 19 . 1 1 32 32 LEU CA C 32 55.520 55.520 57.901 -2.381 25852 12619 1 19 . 1 1 32 32 LEU CB C 32 39.226 39.226 41.587 -2.361 25852 12620 1 19 . 1 1 32 32 LEU H H 32 7.270 7.270 7.860 -0.590 25852 12621 1 19 . 1 1 33 33 GLY N N 33 105.217 105.217 104.753 0.464 25852 12622 1 19 . 1 1 33 33 GLY CA C 33 45.642 45.642 47.617 -1.975 25852 12623 1 19 . 1 1 33 33 GLY H H 33 8.737 8.737 7.939 0.798 25852 12624 1 19 . 1 1 34 34 THR N N 34 118.196 118.196 118.140 0.056 25852 12625 1 19 . 1 1 34 34 THR HA H 34 3.916 3.916 4.065 -0.149 25852 12626 1 19 . 1 1 34 34 THR CA C 34 63.859 63.859 65.897 -2.038 25852 12627 1 19 . 1 1 34 34 THR CB C 34 65.807 65.807 68.439 -2.632 25852 12628 1 19 . 1 1 34 34 THR H H 34 7.446 7.446 7.295 0.151 25852 12629 1 19 . 1 1 35 35 VAL N N 35 122.546 122.546 121.277 1.269 25852 12630 1 19 . 1 1 35 35 VAL HA H 35 3.373 3.373 3.896 -0.523 25852 12631 1 19 . 1 1 35 35 VAL CA C 35 64.088 64.088 64.637 -0.549 25852 12632 1 19 . 1 1 35 35 VAL CB C 35 28.799 28.799 30.435 -1.636 25852 12633 1 19 . 1 1 35 35 VAL H H 35 7.889 7.889 7.395 0.494 25852 12634 1 19 . 1 1 36 36 MET N N 36 118.307 118.307 118.053 0.254 25852 12635 1 19 . 1 1 36 36 MET HA H 36 3.880 3.880 4.144 -0.264 25852 12636 1 19 . 1 1 36 36 MET CA C 36 56.870 56.870 59.045 -2.175 25852 12637 1 19 . 1 1 36 36 MET CB C 36 26.279 26.279 32.769 -6.490 25852 12638 1 19 . 1 1 36 36 MET H H 36 8.386 8.386 8.024 0.362 25852 12639 1 19 . 1 1 37 37 ARG N N 37 119.233 119.233 118.343 0.890 25852 12640 1 19 . 1 1 37 37 ARG HA H 37 3.904 3.904 4.323 -0.419 25852 12641 1 19 . 1 1 37 37 ARG CA C 37 56.170 56.170 58.456 -2.286 25852 12642 1 19 . 1 1 37 37 ARG CB C 37 27.310 27.310 30.132 -2.822 25852 12643 1 19 . 1 1 37 37 ARG H H 37 8.451 8.451 8.217 0.234 25852 12644 1 19 . 1 1 38 38 SER N N 38 118.720 118.720 116.127 2.593 25852 12645 1 19 . 1 1 38 38 SER HA H 38 4.176 4.176 4.274 -0.097 25852 12646 1 19 . 1 1 38 38 SER CA C 38 59.250 59.250 61.554 -2.304 25852 12647 1 19 . 1 1 38 38 SER CB C 38 67.411 67.411 62.840 4.571 25852 12648 1 19 . 1 1 38 38 SER H H 38 8.040 8.040 8.363 -0.323 25852 12649 1 19 . 1 1 39 39 LEU N N 39 120.896 120.896 119.235 1.661 25852 12650 1 19 . 1 1 39 39 LEU HA H 39 4.460 4.460 4.439 0.021 25852 12651 1 19 . 1 1 39 39 LEU CA C 39 51.330 51.330 54.955 -3.625 25852 12652 1 19 . 1 1 39 39 LEU CB C 39 40.257 40.257 41.865 -1.608 25852 12653 1 19 . 1 1 39 39 LEU H H 39 7.263 7.263 7.609 -0.346 25852 12654 1 19 . 1 1 40 40 GLY N N 40 106.917 106.917 106.343 0.574 25852 12655 1 19 . 1 1 40 40 GLY CA C 40 42.880 42.880 44.493 -1.613 25852 12656 1 19 . 1 1 40 40 GLY H H 40 7.841 7.841 7.977 -0.136 25852 12657 1 19 . 1 1 41 41 GLN N N 41 117.171 117.171 120.262 -3.091 25852 12658 1 19 . 1 1 41 41 GLN HA H 41 4.243 4.243 4.291 -0.048 25852 12659 1 19 . 1 1 41 41 GLN CA C 41 52.631 52.631 55.879 -3.248 25852 12660 1 19 . 1 1 41 41 GLN CB C 41 30.747 30.747 29.543 1.204 25852 12661 1 19 . 1 1 41 41 GLN H H 41 7.687 7.687 7.727 -0.040 25852 12662 1 19 . 1 1 42 42 ASN N N 42 116.423 116.423 120.329 -3.906 25852 12663 1 19 . 1 1 42 42 ASN HA H 42 5.016 5.016 4.830 0.186 25852 12664 1 19 . 1 1 42 42 ASN CA C 42 48.640 48.640 52.345 -3.705 25852 12665 1 19 . 1 1 42 42 ASN CB C 42 36.591 36.591 39.304 -2.713 25852 12666 1 19 . 1 1 42 42 ASN H H 42 8.601 8.601 8.461 0.140 25852 12667 1 19 . 1 1 44 44 THR N N 44 113.033 113.033 119.204 -6.171 25852 12668 1 19 . 1 1 44 44 THR HA H 44 4.279 4.279 4.566 -0.287 25852 12669 1 19 . 1 1 44 44 THR CA C 44 57.640 57.640 60.410 -2.770 25852 12670 1 19 . 1 1 44 44 THR CB C 44 68.328 68.328 71.963 -3.635 25852 12671 1 19 . 1 1 44 44 THR H H 44 8.711 8.711 7.919 0.792 25852 12672 1 19 . 1 1 45 45 GLU N N 45 120.233 120.233 122.399 -2.166 25852 12673 1 19 . 1 1 45 45 GLU HA H 45 3.892 3.892 4.197 -0.305 25852 12674 1 19 . 1 1 45 45 GLU CA C 45 56.756 56.756 58.457 -1.701 25852 12675 1 19 . 1 1 45 45 GLU CB C 45 26.393 26.393 29.512 -3.119 25852 12676 1 19 . 1 1 45 45 GLU H H 45 8.781 8.781 8.881 -0.100 25852 12677 1 19 . 1 1 46 46 ALA N N 46 120.833 120.833 123.035 -2.202 25852 12678 1 19 . 1 1 46 46 ALA HA H 46 3.868 3.868 4.197 -0.329 25852 12679 1 19 . 1 1 46 46 ALA CA C 46 52.310 52.310 54.657 -2.347 25852 12680 1 19 . 1 1 46 46 ALA CB C 46 15.394 15.394 18.021 -2.627 25852 12681 1 19 . 1 1 46 46 ALA H H 46 8.251 8.251 8.105 0.146 25852 12682 1 19 . 1 1 47 47 GLU N N 47 118.672 118.672 117.352 1.320 25852 12683 1 19 . 1 1 47 47 GLU HA H 47 3.965 3.965 4.155 -0.190 25852 12684 1 19 . 1 1 47 47 GLU CA C 47 56.641 56.641 58.757 -2.116 25852 12685 1 19 . 1 1 47 47 GLU CB C 47 26.623 26.623 29.386 -2.763 25852 12686 1 19 . 1 1 47 47 GLU H H 47 7.668 7.668 8.514 -0.846 25852 12687 1 19 . 1 1 48 48 LEU N N 48 119.645 119.645 118.818 0.827 25852 12688 1 19 . 1 1 48 48 LEU HA H 48 3.892 3.892 4.131 -0.239 25852 12689 1 19 . 1 1 48 48 LEU CA C 48 55.610 55.610 57.549 -1.939 25852 12690 1 19 . 1 1 48 48 LEU CB C 48 39.340 39.340 41.365 -2.026 25852 12691 1 19 . 1 1 48 48 LEU H H 48 8.244 8.244 7.749 0.495 25852 12692 1 19 . 1 1 49 49 GLN N N 49 117.446 117.446 117.353 0.093 25852 12693 1 19 . 1 1 49 49 GLN HA H 49 3.892 3.892 4.259 -0.367 25852 12694 1 19 . 1 1 49 49 GLN CA C 49 56.756 56.756 57.659 -0.903 25852 12695 1 19 . 1 1 49 49 GLN CB C 49 26.508 26.508 28.985 -2.477 25852 12696 1 19 . 1 1 49 49 GLN H H 49 7.980 7.980 7.790 0.190 25852 12697 1 19 . 1 1 50 50 ASP N N 50 118.733 118.733 119.772 -1.039 25852 12698 1 19 . 1 1 50 50 ASP HA H 50 4.267 4.267 4.595 -0.328 25852 12699 1 19 . 1 1 50 50 ASP CA C 50 54.700 54.700 56.912 -2.212 25852 12700 1 19 . 1 1 50 50 ASP CB C 50 37.622 37.622 41.443 -3.821 25852 12701 1 19 . 1 1 50 50 ASP H H 50 7.761 7.761 7.577 0.184 25852 12702 1 19 . 1 1 51 51 MET N N 51 118.996 118.996 117.662 1.334 25852 12703 1 19 . 1 1 51 51 MET HA H 51 3.892 3.892 4.448 -0.556 25852 12704 1 19 . 1 1 51 51 MET CA C 51 56.560 56.560 56.438 0.122 25852 12705 1 19 . 1 1 51 51 MET CB C 51 29.601 29.601 32.489 -2.889 25852 12706 1 19 . 1 1 51 51 MET H H 51 7.900 7.900 8.477 -0.577 25852 12707 1 19 . 1 1 52 52 ILE N N 52 118.833 118.833 120.001 -1.168 25852 12708 1 19 . 1 1 52 52 ILE HA H 52 3.348 3.348 3.769 -0.421 25852 12709 1 19 . 1 1 52 52 ILE CA C 52 62.484 62.484 63.445 -0.961 25852 12710 1 19 . 1 1 52 52 ILE CB C 52 35.330 35.330 37.593 -2.263 25852 12711 1 19 . 1 1 52 52 ILE H H 52 8.261 8.261 7.400 0.861 25852 12712 1 19 . 1 1 53 53 ASN N N 53 117.296 117.296 114.691 2.605 25852 12713 1 19 . 1 1 53 53 ASN HA H 53 4.243 4.243 4.493 -0.250 25852 12714 1 19 . 1 1 53 53 ASN CA C 53 53.090 53.090 55.557 -2.467 25852 12715 1 19 . 1 1 53 53 ASN CB C 53 35.330 35.330 38.870 -3.540 25852 12716 1 19 . 1 1 53 53 ASN H H 53 8.186 8.186 7.626 0.560 25852 12717 1 19 . 1 1 54 54 GLU N N 54 117.133 117.133 118.497 -1.364 25852 12718 1 19 . 1 1 54 54 GLU HA H 54 3.965 3.965 4.241 -0.276 25852 12719 1 19 . 1 1 54 54 GLU CA C 54 56.412 56.412 58.393 -1.981 25852 12720 1 19 . 1 1 54 54 GLU CB C 54 26.508 26.508 30.483 -3.975 25852 12721 1 19 . 1 1 54 54 GLU H H 54 7.501 7.501 7.650 -0.149 25852 12722 1 19 . 1 1 55 55 VAL N N 55 112.928 112.928 119.041 -6.113 25852 12723 1 19 . 1 1 55 55 VAL HA H 55 4.194 4.194 4.054 0.140 25852 12724 1 19 . 1 1 55 55 VAL CA C 55 59.505 59.505 66.085 -6.580 25852 12725 1 19 . 1 1 55 55 VAL CB C 55 30.174 30.174 32.690 -2.515 25852 12726 1 19 . 1 1 55 55 VAL H H 55 7.575 7.575 8.406 -0.831 25852 12727 1 19 . 1 1 56 56 ASP N N 56 121.771 121.771 119.716 2.055 25852 12728 1 19 . 1 1 56 56 ASP HA H 56 4.388 4.388 4.587 -0.199 25852 12729 1 19 . 1 1 56 56 ASP CA C 56 50.990 50.990 53.760 -2.770 25852 12730 1 19 . 1 1 56 56 ASP CB C 56 36.820 36.820 39.382 -2.562 25852 12731 1 19 . 1 1 56 56 ASP H H 56 8.401 8.401 7.988 0.413 25852 12732 1 19 . 1 1 57 57 ALA N N 57 124.771 124.771 120.988 3.783 25852 12733 1 19 . 1 1 57 57 ALA HA H 57 4.001 4.001 4.252 -0.251 25852 12734 1 19 . 1 1 57 57 ALA CA C 57 52.402 52.402 53.682 -1.280 25852 12735 1 19 . 1 1 57 57 ALA CB C 57 15.280 15.280 19.033 -3.753 25852 12736 1 19 . 1 1 57 57 ALA H H 57 8.097 8.097 8.235 -0.138 25852 12737 1 19 . 1 1 58 58 ASP N N 58 114.518 114.518 119.653 -5.135 25852 12738 1 19 . 1 1 58 58 ASP HA H 58 4.400 4.400 4.563 -0.163 25852 12739 1 19 . 1 1 58 58 ASP CA C 58 50.798 50.798 54.406 -3.608 25852 12740 1 19 . 1 1 58 58 ASP CB C 58 36.934 36.934 41.332 -4.398 25852 12741 1 19 . 1 1 58 58 ASP H H 58 8.376 8.376 8.064 0.312 25852 12742 1 19 . 1 1 59 59 GLY N N 59 108.798 108.798 107.256 1.542 25852 12743 1 19 . 1 1 59 59 GLY CA C 59 44.490 44.490 45.309 -0.819 25852 12744 1 19 . 1 1 59 59 GLY H H 59 7.827 7.827 8.600 -0.773 25852 12745 1 19 . 1 1 60 60 ASN N N 60 119.696 119.696 118.832 0.864 25852 12746 1 19 . 1 1 60 60 ASN HA H 60 4.688 4.688 4.787 -0.099 25852 12747 1 19 . 1 1 60 60 ASN CA C 60 51.943 51.943 53.053 -1.110 25852 12748 1 19 . 1 1 60 60 ASN CB C 60 38.424 38.424 39.710 -1.286 25852 12749 1 19 . 1 1 60 60 ASN H H 60 9.253 9.253 8.338 0.915 25852 12750 1 19 . 1 1 61 61 GLY N N 61 110.108 110.108 109.164 0.944 25852 12751 1 19 . 1 1 61 61 GLY CA C 61 42.870 42.870 45.901 -3.031 25852 12752 1 19 . 1 1 61 61 GLY H H 61 10.004 10.004 8.260 1.744 25852 12753 1 19 . 1 1 62 62 THR N N 62 110.533 110.533 112.401 -1.868 25852 12754 1 19 . 1 1 62 62 THR HA H 62 4.629 4.629 4.494 0.135 25852 12755 1 19 . 1 1 62 62 THR CA C 62 59.162 59.162 61.323 -2.161 25852 12756 1 19 . 1 1 62 62 THR CB C 62 67.526 67.526 71.868 -4.342 25852 12757 1 19 . 1 1 62 62 THR H H 62 7.481 7.481 7.472 0.009 25852 12758 1 19 . 1 1 63 63 ILE N N 63 118.533 118.533 122.637 -4.104 25852 12759 1 19 . 1 1 63 63 ILE HA H 63 3.783 3.783 3.842 -0.059 25852 12760 1 19 . 1 1 63 63 ILE CA C 63 60.537 60.537 58.062 2.475 25852 12761 1 19 . 1 1 63 63 ILE CB C 63 36.018 36.018 37.102 -1.084 25852 12762 1 19 . 1 1 63 63 ILE H H 63 8.820 8.820 8.295 0.525 25852 12763 1 19 . 1 1 64 64 ASP N N 64 122.928 122.928 124.795 -1.867 25852 12764 1 19 . 1 1 64 64 ASP HA H 64 4.327 4.327 4.661 -0.334 25852 12765 1 19 . 1 1 64 64 ASP CA C 64 51.027 51.027 56.921 -5.894 25852 12766 1 19 . 1 1 64 64 ASP CB C 64 37.278 37.278 41.819 -4.541 25852 12767 1 19 . 1 1 64 64 ASP H H 64 8.380 8.380 8.570 -0.190 25852 12768 1 19 . 1 1 65 65 PHE N N 65 118.559 118.559 119.418 -0.859 25852 12769 1 19 . 1 1 65 65 PHE HA H 65 3.880 3.880 4.985 -1.105 25852 12770 1 19 . 1 1 65 65 PHE CA C 65 56.870 56.870 60.839 -3.969 25852 12771 1 19 . 1 1 65 65 PHE CB C 65 33.497 33.497 36.385 -2.888 25852 12772 1 19 . 1 1 65 65 PHE H H 65 8.559 8.559 8.775 -0.216 25852 12773 1 19 . 1 1 67 67 GLU N N 67 117.546 117.546 115.827 1.719 25852 12774 1 19 . 1 1 67 67 GLU HA H 67 3.904 3.904 4.219 -0.315 25852 12775 1 19 . 1 1 67 67 GLU CA C 67 56.870 56.870 57.976 -1.106 25852 12776 1 19 . 1 1 67 67 GLU CB C 67 26.623 26.623 29.825 -3.202 25852 12777 1 19 . 1 1 67 67 GLU H H 67 7.995 7.995 8.337 -0.342 25852 12778 1 19 . 1 1 68 68 PHE N N 68 122.032 122.032 118.934 3.098 25852 12779 1 19 . 1 1 68 68 PHE HA H 68 3.904 3.904 4.417 -0.513 25852 12780 1 19 . 1 1 68 68 PHE CA C 68 59.047 59.047 60.996 -1.949 25852 12781 1 19 . 1 1 68 68 PHE CB C 68 36.934 36.934 39.288 -2.354 25852 12782 1 19 . 1 1 68 68 PHE H H 68 8.377 8.377 7.660 0.717 25852 12783 1 19 . 1 1 69 69 LEU N N 69 118.488 118.488 120.272 -1.784 25852 12784 1 19 . 1 1 69 69 LEU HA H 69 3.179 3.179 4.128 -0.949 25852 12785 1 19 . 1 1 69 69 LEU CA C 69 55.158 55.158 57.507 -2.349 25852 12786 1 19 . 1 1 69 69 LEU CB C 69 38.195 38.195 41.525 -3.330 25852 12787 1 19 . 1 1 69 69 LEU H H 69 8.393 8.393 7.742 0.651 25852 12788 1 19 . 1 1 70 70 THR N N 70 115.208 115.208 114.752 0.456 25852 12789 1 19 . 1 1 70 70 THR HA H 70 3.638 3.638 3.890 -0.252 25852 12790 1 19 . 1 1 70 70 THR CA C 70 63.630 63.630 66.465 -2.835 25852 12791 1 19 . 1 1 70 70 THR CB C 70 65.578 65.578 68.261 -2.683 25852 12792 1 19 . 1 1 70 70 THR H H 70 7.658 7.658 8.274 -0.616 25852 12793 1 19 . 1 1 71 71 MET N N 71 121.221 121.221 119.273 1.948 25852 12794 1 19 . 1 1 71 71 MET HA H 71 3.892 3.892 4.355 -0.463 25852 12795 1 19 . 1 1 71 71 MET CA C 71 56.303 56.303 57.313 -1.010 25852 12796 1 19 . 1 1 71 71 MET CB C 71 29.831 29.831 31.915 -2.084 25852 12797 1 19 . 1 1 71 71 MET H H 71 7.653 7.653 7.616 0.037 25852 12798 1 19 . 1 1 72 72 MET N N 72 117.459 117.459 117.185 0.274 25852 12799 1 19 . 1 1 72 72 MET HA H 72 3.892 3.892 4.447 -0.555 25852 12800 1 19 . 1 1 72 72 MET CA C 72 53.777 53.777 57.686 -3.909 25852 12801 1 19 . 1 1 72 72 MET CB C 72 29.029 29.029 32.681 -3.652 25852 12802 1 19 . 1 1 72 72 MET H H 72 7.956 7.956 7.613 0.343 25852 12803 1 19 . 1 1 73 73 ALA N N 73 120.856 120.856 121.579 -0.723 25852 12804 1 19 . 1 1 73 73 ALA HA H 73 3.868 3.868 4.170 -0.302 25852 12805 1 19 . 1 1 73 73 ALA CA C 73 52.402 52.402 54.482 -2.080 25852 12806 1 19 . 1 1 73 73 ALA CB C 73 15.280 15.280 19.197 -3.917 25852 12807 1 19 . 1 1 73 73 ALA H H 73 8.230 8.230 8.144 0.086 25852 12808 1 19 . 1 1 74 74 ARG N N 74 116.530 116.530 115.999 0.531 25852 12809 1 19 . 1 1 74 74 ARG HA H 74 3.892 3.892 4.209 -0.317 25852 12810 1 19 . 1 1 74 74 ARG CA C 74 56.297 56.297 58.450 -2.154 25852 12811 1 19 . 1 1 74 74 ARG CB C 74 27.997 27.997 29.824 -1.827 25852 12812 1 19 . 1 1 74 74 ARG H H 74 7.409 7.409 8.053 -0.644 25852 12813 1 19 . 1 1 75 75 LYS N N 75 118.008 118.008 119.511 -1.503 25852 12814 1 19 . 1 1 75 75 LYS HA H 75 3.965 3.965 4.182 -0.217 25852 12815 1 19 . 1 1 75 75 LYS CA C 75 55.495 55.495 58.699 -3.204 25852 12816 1 19 . 1 1 75 75 LYS CB C 75 26.279 26.279 32.571 -6.292 25852 12817 1 19 . 1 1 75 75 LYS H H 75 7.657 7.657 7.653 0.004 25852 12818 1 19 . 1 1 76 76 MET N N 76 117.646 117.646 113.355 4.291 25852 12819 1 19 . 1 1 76 76 MET HA H 76 4.146 4.146 4.753 -0.607 25852 12820 1 19 . 1 1 76 76 MET CA C 76 53.947 53.947 57.141 -3.194 25852 12821 1 19 . 1 1 76 76 MET CB C 76 29.487 29.487 34.764 -5.277 25852 12822 1 19 . 1 1 76 76 MET H H 76 7.883 7.883 7.491 0.392 25852 12823 1 19 . 1 1 77 77 LYS N N 77 120.334 120.334 120.228 0.106 25852 12824 1 19 . 1 1 77 77 LYS HA H 77 3.941 3.941 4.074 -0.133 25852 12825 1 19 . 1 1 77 77 LYS CA C 77 56.526 56.526 59.545 -3.019 25852 12826 1 19 . 1 1 77 77 LYS CB C 77 27.425 27.425 32.678 -5.253 25852 12827 1 19 . 1 1 77 77 LYS H H 77 7.658 7.658 8.296 -0.638 25852 12828 1 19 . 1 1 78 78 ASP N N 78 121.733 121.733 115.556 6.177 25852 12829 1 19 . 1 1 78 78 ASP HA H 78 4.194 4.194 4.795 -0.601 25852 12830 1 19 . 1 1 78 78 ASP CA C 78 52.516 52.516 55.049 -2.533 25852 12831 1 19 . 1 1 78 78 ASP CB C 78 40.028 40.028 42.451 -2.423 25852 12832 1 19 . 1 1 78 78 ASP H H 78 8.212 8.212 7.936 0.276 25852 12833 1 19 . 1 1 79 79 THR N N 79 114.651 114.651 117.146 -2.495 25852 12834 1 19 . 1 1 79 79 THR HA H 79 4.170 4.170 4.360 -0.190 25852 12835 1 19 . 1 1 79 79 THR CA C 79 59.391 59.391 62.392 -3.001 25852 12836 1 19 . 1 1 79 79 THR CB C 79 67.067 67.067 68.773 -1.706 25852 12837 1 19 . 1 1 79 79 THR H H 79 8.048 8.048 7.842 0.206 25852 12838 1 19 . 1 1 80 80 ASP N N 80 122.484 122.484 128.244 -5.760 25852 12839 1 19 . 1 1 80 80 ASP HA H 80 4.363 4.363 4.379 -0.016 25852 12840 1 19 . 1 1 80 80 ASP CA C 80 50.850 50.850 55.157 -4.307 25852 12841 1 19 . 1 1 80 80 ASP CB C 80 36.705 36.705 40.824 -4.119 25852 12842 1 19 . 1 1 80 80 ASP H H 80 8.432 8.432 8.355 0.077 25852 12843 1 19 . 1 1 81 81 SER N N 81 117.135 117.135 116.668 0.467 25852 12844 1 19 . 1 1 81 81 SER HA H 81 4.267 4.267 4.634 -0.367 25852 12845 1 19 . 1 1 81 81 SER CA C 81 56.870 56.870 59.939 -3.069 25852 12846 1 19 . 1 1 81 81 SER CB C 81 60.884 60.884 64.054 -3.170 25852 12847 1 19 . 1 1 81 81 SER H H 81 8.403 8.403 8.702 -0.299 25852 12848 1 19 . 1 1 82 82 GLU N N 82 121.723 121.723 121.716 0.007 25852 12849 1 19 . 1 1 82 82 GLU HA H 82 3.883 3.883 4.316 -0.433 25852 12850 1 19 . 1 1 82 82 GLU CA C 82 56.707 56.707 58.733 -2.026 25852 12851 1 19 . 1 1 82 82 GLU CB C 82 29.831 29.831 29.387 0.444 25852 12852 1 19 . 1 1 82 82 GLU H H 82 8.443 8.443 8.318 0.125 25852 12853 1 19 . 1 1 83 83 GLU N N 83 119.259 119.259 118.408 0.851 25852 12854 1 19 . 1 1 83 83 GLU HA H 83 3.883 3.883 4.131 -0.248 25852 12855 1 19 . 1 1 83 83 GLU CA C 83 56.606 56.606 58.901 -2.295 25852 12856 1 19 . 1 1 83 83 GLU CB C 83 29.364 29.364 29.097 0.267 25852 12857 1 19 . 1 1 83 83 GLU H H 83 8.118 8.118 8.745 -0.627 25852 12858 1 19 . 1 1 84 84 GLU N N 84 118.060 118.060 117.989 0.071 25852 12859 1 19 . 1 1 84 84 GLU HA H 84 3.871 3.871 4.175 -0.304 25852 12860 1 19 . 1 1 84 84 GLU CA C 84 56.606 56.606 58.768 -2.162 25852 12861 1 19 . 1 1 84 84 GLU CB C 84 25.817 25.817 29.492 -3.675 25852 12862 1 19 . 1 1 84 84 GLU H H 84 8.212 8.212 8.147 0.065 25852 12863 1 19 . 1 1 85 85 ILE N N 85 120.736 120.736 118.373 2.363 25852 12864 1 19 . 1 1 85 85 ILE HA H 85 3.678 3.678 4.128 -0.450 25852 12865 1 19 . 1 1 85 85 ILE CA C 85 62.484 62.484 63.971 -1.487 25852 12866 1 19 . 1 1 85 85 ILE CB C 85 35.445 35.445 38.532 -3.087 25852 12867 1 19 . 1 1 85 85 ILE H H 85 7.964 7.964 7.526 0.438 25852 12868 1 19 . 1 1 86 86 ARG N N 86 121.452 121.452 120.039 1.413 25852 12869 1 19 . 1 1 86 86 ARG HA H 86 3.989 3.989 4.504 -0.515 25852 12870 1 19 . 1 1 86 86 ARG CA C 86 56.985 56.985 58.676 -1.692 25852 12871 1 19 . 1 1 86 86 ARG CB C 86 26.856 26.856 29.620 -2.764 25852 12872 1 19 . 1 1 86 86 ARG H H 86 8.351 8.351 7.866 0.485 25852 12873 1 19 . 1 1 87 87 GLU N N 87 118.288 118.288 119.890 -1.602 25852 12874 1 19 . 1 1 87 87 GLU HA H 87 3.861 3.861 4.301 -0.440 25852 12875 1 19 . 1 1 87 87 GLU CA C 87 56.606 56.606 58.798 -2.192 25852 12876 1 19 . 1 1 87 87 GLU CB C 87 25.817 25.817 29.101 -3.284 25852 12877 1 19 . 1 1 87 87 GLU H H 87 8.238 8.238 8.091 0.147 25852 12878 1 19 . 1 1 88 88 ALA N N 88 120.408 120.408 121.867 -1.459 25852 12879 1 19 . 1 1 88 88 ALA HA H 88 4.013 4.013 4.137 -0.124 25852 12880 1 19 . 1 1 88 88 ALA CA C 88 52.263 52.263 54.667 -2.404 25852 12881 1 19 . 1 1 88 88 ALA CB C 88 15.080 15.080 18.238 -3.158 25852 12882 1 19 . 1 1 88 88 ALA H H 88 7.960 7.960 8.538 -0.578 25852 12883 1 19 . 1 1 89 89 PHE N N 89 118.123 118.123 116.900 1.223 25852 12884 1 19 . 1 1 89 89 PHE HA H 89 3.058 3.058 4.257 -1.199 25852 12885 1 19 . 1 1 89 89 PHE CA C 89 59.703 59.703 59.201 0.502 25852 12886 1 19 . 1 1 89 89 PHE CB C 89 36.774 36.774 39.274 -2.500 25852 12887 1 19 . 1 1 89 89 PHE H H 89 8.498 8.498 7.563 0.935 25852 12888 1 19 . 1 1 90 90 ARG N N 90 116.002 116.002 118.421 -2.419 25852 12889 1 19 . 1 1 90 90 ARG HA H 90 3.892 3.892 3.712 0.180 25852 12890 1 19 . 1 1 90 90 ARG CA C 90 56.168 56.168 57.225 -1.057 25852 12891 1 19 . 1 1 90 90 ARG CB C 90 27.654 27.654 30.036 -2.382 25852 12892 1 19 . 1 1 90 90 ARG H H 90 7.860 7.860 7.379 0.481 25852 12893 1 19 . 1 1 91 91 VAL N N 91 118.008 118.008 117.517 0.491 25852 12894 1 19 . 1 1 91 91 VAL HA H 91 3.243 3.243 3.830 -0.587 25852 12895 1 19 . 1 1 91 91 VAL CA C 91 63.357 63.357 64.092 -0.735 25852 12896 1 19 . 1 1 91 91 VAL CB C 91 28.444 28.444 32.470 -4.026 25852 12897 1 19 . 1 1 91 91 VAL H H 91 7.300 7.300 7.739 -0.440 25852 12898 1 19 . 1 1 92 92 PHE N N 92 113.024 113.024 115.380 -2.356 25852 12899 1 19 . 1 1 92 92 PHE HA H 92 3.967 3.967 4.328 -0.361 25852 12900 1 19 . 1 1 92 92 PHE CA C 92 57.558 57.558 59.510 -1.952 25852 12901 1 19 . 1 1 92 92 PHE CB C 92 38.838 38.838 41.002 -2.164 25852 12902 1 19 . 1 1 92 92 PHE H H 92 6.805 6.805 7.914 -1.109 25852 12903 1 19 . 1 1 93 93 ASP N N 93 116.393 116.393 120.031 -3.638 25852 12904 1 19 . 1 1 93 93 ASP HA H 93 4.496 4.496 4.642 -0.146 25852 12905 1 19 . 1 1 93 93 ASP CA C 93 49.525 49.525 55.103 -5.578 25852 12906 1 19 . 1 1 93 93 ASP CB C 93 35.788 35.788 40.467 -4.678 25852 12907 1 19 . 1 1 93 93 ASP H H 93 8.018 8.018 7.610 0.408 25852 12908 1 19 . 1 1 94 94 LYS N N 94 125.158 125.158 125.063 0.095 25852 12909 1 19 . 1 1 94 94 LYS HA H 94 3.892 3.892 4.155 -0.263 25852 12910 1 19 . 1 1 94 94 LYS CA C 94 56.183 56.183 57.794 -1.611 25852 12911 1 19 . 1 1 94 94 LYS CB C 94 29.945 29.945 32.971 -3.026 25852 12912 1 19 . 1 1 94 94 LYS H H 94 7.721 7.721 8.676 -0.955 25852 12913 1 19 . 1 1 95 95 ASP N N 95 113.893 113.893 118.496 -4.603 25852 12914 1 19 . 1 1 95 95 ASP HA H 95 4.415 4.415 4.479 -0.064 25852 12915 1 19 . 1 1 95 95 ASP CA C 95 50.683 50.683 54.754 -4.071 25852 12916 1 19 . 1 1 95 95 ASP CB C 95 36.774 36.774 40.954 -4.180 25852 12917 1 19 . 1 1 95 95 ASP H H 95 8.156 8.156 8.260 -0.104 25852 12918 1 19 . 1 1 96 96 GLY N N 96 108.799 108.799 107.235 1.564 25852 12919 1 19 . 1 1 96 96 GLY CA C 96 44.344 44.344 46.247 -1.903 25852 12920 1 19 . 1 1 96 96 GLY H H 96 7.717 7.717 8.518 -0.801 25852 12921 1 19 . 1 1 97 97 ASN N N 97 119.381 119.381 118.383 0.998 25852 12922 1 19 . 1 1 97 97 ASN HA H 97 4.500 4.500 4.816 -0.316 25852 12923 1 19 . 1 1 97 97 ASN CA C 97 49.916 49.916 52.992 -3.076 25852 12924 1 19 . 1 1 97 97 ASN CB C 97 35.183 35.183 39.166 -3.983 25852 12925 1 19 . 1 1 97 97 ASN H H 97 8.312 8.312 8.310 0.002 25852 12926 1 19 . 1 1 98 98 GLY N N 98 112.330 112.330 107.672 4.658 25852 12927 1 19 . 1 1 98 98 GLY CA C 98 42.434 42.434 45.570 -3.136 25852 12928 1 19 . 1 1 98 98 GLY H H 98 10.555 10.555 8.043 2.512 25852 12929 1 19 . 1 1 99 99 TYR N N 99 116.075 116.075 120.030 -3.955 25852 12930 1 19 . 1 1 99 99 TYR HA H 99 4.871 4.871 4.749 0.122 25852 12931 1 19 . 1 1 99 99 TYR CA C 99 53.582 53.582 56.051 -2.469 25852 12932 1 19 . 1 1 99 99 TYR CB C 99 39.981 39.981 39.002 0.979 25852 12933 1 19 . 1 1 99 99 TYR H H 99 7.650 7.650 7.677 -0.027 25852 12934 1 19 . 1 1 100 100 ILE N N 100 126.834 126.834 127.923 -1.089 25852 12935 1 19 . 1 1 100 100 ILE HA H 100 4.493 4.493 4.384 0.109 25852 12936 1 19 . 1 1 100 100 ILE CA C 100 58.616 58.616 61.281 -2.665 25852 12937 1 19 . 1 1 100 100 ILE CB C 100 35.903 35.903 36.390 -0.487 25852 12938 1 19 . 1 1 100 100 ILE H H 100 10.037 10.037 8.725 1.312 25852 12939 1 19 . 1 1 101 101 SER N N 101 123.486 123.486 123.135 0.351 25852 12940 1 19 . 1 1 101 101 SER HA H 101 4.738 4.738 4.423 0.315 25852 12941 1 19 . 1 1 101 101 SER CA C 101 52.897 52.897 59.002 -6.105 25852 12942 1 19 . 1 1 101 101 SER CB C 101 64.134 64.134 63.763 0.371 25852 12943 1 19 . 1 1 101 101 SER H H 101 8.904 8.904 9.001 -0.097 25852 12944 1 19 . 1 1 102 102 ALA N N 102 122.796 122.796 124.345 -1.549 25852 12945 1 19 . 1 1 102 102 ALA HA H 102 3.747 3.747 4.085 -0.338 25852 12946 1 19 . 1 1 102 102 ALA CA C 102 53.093 53.093 54.864 -1.771 25852 12947 1 19 . 1 1 102 102 ALA CB C 102 15.114 15.114 18.474 -3.360 25852 12948 1 19 . 1 1 102 102 ALA H H 102 9.246 9.246 8.848 0.398 25852 12949 1 19 . 1 1 103 103 ALA N N 103 118.362 118.362 119.655 -1.293 25852 12950 1 19 . 1 1 103 103 ALA HA H 103 3.861 3.861 4.220 -0.359 25852 12951 1 19 . 1 1 103 103 ALA CA C 103 52.409 52.409 54.057 -1.648 25852 12952 1 19 . 1 1 103 103 ALA CB C 103 15.456 15.456 19.028 -3.572 25852 12953 1 19 . 1 1 103 103 ALA H H 103 8.214 8.214 8.439 -0.225 25852 12954 1 19 . 1 1 104 104 GLU N N 104 120.187 120.187 120.097 0.090 25852 12955 1 19 . 1 1 104 104 GLU HA H 104 3.904 3.904 4.147 -0.243 25852 12956 1 19 . 1 1 104 104 GLU CA C 104 56.563 56.563 59.013 -2.450 25852 12957 1 19 . 1 1 104 104 GLU CB C 104 26.400 26.400 29.934 -3.534 25852 12958 1 19 . 1 1 104 104 GLU H H 104 7.864 7.864 7.865 -0.001 25852 12959 1 19 . 1 1 105 105 LEU N N 105 121.050 121.050 119.911 1.139 25852 12960 1 19 . 1 1 105 105 LEU HA H 105 3.892 3.892 4.410 -0.518 25852 12961 1 19 . 1 1 105 105 LEU CA C 105 55.732 55.732 58.331 -2.599 25852 12962 1 19 . 1 1 105 105 LEU CB C 105 39.340 39.340 41.736 -2.396 25852 12963 1 19 . 1 1 105 105 LEU H H 105 8.341 8.341 8.299 0.042 25852 12964 1 19 . 1 1 106 106 ARG N N 106 118.494 118.494 120.381 -1.887 25852 12965 1 19 . 1 1 106 106 ARG HA H 106 3.904 3.904 4.095 -0.191 25852 12966 1 19 . 1 1 106 106 ARG CA C 106 55.724 55.724 58.674 -2.950 25852 12967 1 19 . 1 1 106 106 ARG CB C 106 29.945 29.945 29.401 0.544 25852 12968 1 19 . 1 1 106 106 ARG H H 106 8.852 8.852 7.846 1.006 25852 12969 1 19 . 1 1 107 107 HIS N N 107 118.921 118.921 119.369 -0.448 25852 12970 1 19 . 1 1 107 107 HIS HA H 107 3.876 3.876 4.461 -0.585 25852 12971 1 19 . 1 1 107 107 HIS CA C 107 56.807 56.807 59.292 -2.485 25852 12972 1 19 . 1 1 107 107 HIS CB C 107 27.198 27.198 30.110 -2.912 25852 12973 1 19 . 1 1 107 107 HIS H H 107 8.045 8.045 8.529 -0.484 25852 12974 1 19 . 1 1 108 108 VAL N N 108 118.991 118.991 120.773 -1.782 25852 12975 1 19 . 1 1 108 108 VAL HA H 108 3.385 3.385 3.519 -0.134 25852 12976 1 19 . 1 1 108 108 VAL CA C 108 64.285 64.285 66.142 -1.857 25852 12977 1 19 . 1 1 108 108 VAL CB C 108 28.908 28.908 31.130 -2.222 25852 12978 1 19 . 1 1 108 108 VAL H H 108 7.766 7.766 8.474 -0.708 25852 12979 1 19 . 1 1 109 109 MET N N 109 115.789 115.789 119.208 -3.419 25852 12980 1 19 . 1 1 109 109 MET HA H 109 4.139 4.139 3.949 0.190 25852 12981 1 19 . 1 1 109 109 MET CA C 109 54.461 54.461 59.925 -5.464 25852 12982 1 19 . 1 1 109 109 MET CB C 109 29.706 29.706 32.416 -2.710 25852 12983 1 19 . 1 1 109 109 MET H H 109 8.333 8.333 8.467 -0.134 25852 12984 1 19 . 1 1 110 110 THR N N 110 116.700 116.700 113.008 3.692 25852 12985 1 19 . 1 1 110 110 THR HA H 110 3.935 3.935 4.100 -0.165 25852 12986 1 19 . 1 1 110 110 THR CA C 110 63.845 63.845 64.931 -1.086 25852 12987 1 19 . 1 1 110 110 THR CB C 110 66.072 66.072 68.320 -2.248 25852 12988 1 19 . 1 1 110 110 THR H H 110 8.603 8.603 8.249 0.354 25852 12989 1 19 . 1 1 111 111 ASN N N 111 123.354 123.354 119.201 4.153 25852 12990 1 19 . 1 1 111 111 ASN HA H 111 4.242 4.242 4.514 -0.272 25852 12991 1 19 . 1 1 111 111 ASN CA C 111 53.093 53.093 55.303 -2.210 25852 12992 1 19 . 1 1 111 111 ASN CB C 111 35.292 35.292 38.750 -3.458 25852 12993 1 19 . 1 1 111 111 ASN H H 111 7.991 7.991 7.362 0.629 25852 12994 1 19 . 1 1 112 112 LEU N N 112 118.291 118.291 117.321 0.970 25852 12995 1 19 . 1 1 112 112 LEU HA H 112 4.182 4.182 4.175 0.007 25852 12996 1 19 . 1 1 112 112 LEU CA C 112 52.653 52.653 56.191 -3.538 25852 12997 1 19 . 1 1 112 112 LEU CB C 112 39.738 39.738 42.735 -2.997 25852 12998 1 19 . 1 1 112 112 LEU H H 112 7.754 7.754 7.865 -0.111 25852 12999 1 19 . 1 1 113 113 GLY N N 113 106.894 106.894 104.220 2.674 25852 13000 1 19 . 1 1 113 113 GLY CA C 113 42.536 42.536 44.418 -1.882 25852 13001 1 19 . 1 1 113 113 GLY H H 113 7.778 7.778 8.076 -0.298 25852 13002 1 19 . 1 1 114 114 GLU N N 114 119.776 119.776 121.635 -1.859 25852 13003 1 19 . 1 1 114 114 GLU HA H 114 4.267 4.267 4.505 -0.238 25852 13004 1 19 . 1 1 114 114 GLU CA C 114 52.067 52.067 55.277 -3.210 25852 13005 1 19 . 1 1 114 114 GLU CB C 114 26.616 26.616 32.289 -5.673 25852 13006 1 19 . 1 1 114 114 GLU H H 114 7.957 7.957 8.464 -0.507 25852 13007 1 19 . 1 1 115 115 LYS N N 115 124.429 124.429 121.157 3.272 25852 13008 1 19 . 1 1 115 115 LYS HA H 115 4.255 4.255 4.490 -0.235 25852 13009 1 19 . 1 1 115 115 LYS CA C 115 52.848 52.848 55.450 -2.602 25852 13010 1 19 . 1 1 115 115 LYS CB C 115 30.518 30.518 33.583 -3.065 25852 13011 1 19 . 1 1 115 115 LYS H H 115 8.591 8.591 8.413 0.178 25852 13012 1 19 . 1 1 116 116 LEU N N 116 124.724 124.724 124.900 -0.176 25852 13013 1 19 . 1 1 116 116 LEU HA H 116 4.690 4.690 4.888 -0.198 25852 13014 1 19 . 1 1 116 116 LEU CA C 116 51.089 51.089 53.765 -2.676 25852 13015 1 19 . 1 1 116 116 LEU CB C 116 42.588 42.588 44.193 -1.605 25852 13016 1 19 . 1 1 116 116 LEU H H 116 8.066 8.066 8.429 -0.363 25852 13017 1 19 . 1 1 117 117 THR N N 117 113.912 113.912 118.096 -4.184 25852 13018 1 19 . 1 1 117 117 THR HA H 117 4.302 4.302 4.382 -0.080 25852 13019 1 19 . 1 1 117 117 THR CA C 117 57.834 57.834 61.195 -3.361 25852 13020 1 19 . 1 1 117 117 THR CB C 117 68.580 68.580 71.081 -2.501 25852 13021 1 19 . 1 1 117 117 THR H H 117 9.165 9.165 8.954 0.211 25852 13022 1 19 . 1 1 118 118 ASP N N 118 120.787 120.787 119.823 0.964 25852 13023 1 19 . 1 1 118 118 ASP HA H 118 4.061 4.061 4.453 -0.392 25852 13024 1 19 . 1 1 118 118 ASP CA C 118 55.243 55.243 57.678 -2.436 25852 13025 1 19 . 1 1 118 118 ASP CB C 118 37.002 37.002 40.945 -3.943 25852 13026 1 19 . 1 1 118 118 ASP H H 118 8.860 8.860 8.751 0.109 25852 13027 1 19 . 1 1 119 119 GLU N N 119 119.091 119.091 117.345 1.746 25852 13028 1 19 . 1 1 119 119 GLU HA H 119 3.892 3.892 4.273 -0.381 25852 13029 1 19 . 1 1 119 119 GLU CA C 119 57.149 57.149 57.538 -0.389 25852 13030 1 19 . 1 1 119 119 GLU CB C 119 25.931 25.931 29.320 -3.389 25852 13031 1 19 . 1 1 119 119 GLU H H 119 8.618 8.618 8.666 -0.048 25852 13032 1 19 . 1 1 120 120 GLU N N 120 120.037 120.037 117.863 2.174 25852 13033 1 19 . 1 1 120 120 GLU HA H 120 3.880 3.880 4.256 -0.376 25852 13034 1 19 . 1 1 120 120 GLU CA C 120 56.319 56.319 57.877 -1.558 25852 13035 1 19 . 1 1 120 120 GLU CB C 120 25.830 25.830 29.961 -4.131 25852 13036 1 19 . 1 1 120 120 GLU H H 120 7.659 7.659 8.437 -0.778 25852 13037 1 19 . 1 1 121 121 VAL N N 121 122.512 122.512 114.483 8.029 25852 13038 1 19 . 1 1 121 121 VAL HA H 121 3.385 3.385 3.991 -0.606 25852 13039 1 19 . 1 1 121 121 VAL CA C 121 64.090 64.090 63.954 0.136 25852 13040 1 19 . 1 1 121 121 VAL CB C 121 28.680 28.680 31.652 -2.972 25852 13041 1 19 . 1 1 121 121 VAL H H 121 7.887 7.887 7.289 0.598 25852 13042 1 19 . 1 1 122 122 ASP N N 122 119.993 119.993 119.276 0.717 25852 13043 1 19 . 1 1 122 122 ASP HA H 122 4.157 4.157 4.416 -0.259 25852 13044 1 19 . 1 1 122 122 ASP CA C 122 54.901 54.901 56.462 -1.561 25852 13045 1 19 . 1 1 122 122 ASP CB C 122 37.572 37.572 39.400 -1.828 25852 13046 1 19 . 1 1 122 122 ASP H H 122 7.973 7.973 8.340 -0.367 25852 13047 1 19 . 1 1 123 123 GLU N N 123 119.521 119.521 113.504 6.017 25852 13048 1 19 . 1 1 123 123 GLU HA H 123 3.880 3.880 4.428 -0.548 25852 13049 1 19 . 1 1 123 123 GLU CA C 123 56.612 56.612 56.881 -0.269 25852 13050 1 19 . 1 1 123 123 GLU CB C 123 26.172 26.172 30.831 -4.659 25852 13051 1 19 . 1 1 123 123 GLU H H 123 7.903 7.903 8.122 -0.219 25852 13052 1 19 . 1 1 124 124 MET N N 124 118.961 118.961 119.132 -0.171 25852 13053 1 19 . 1 1 124 124 MET HA H 124 3.892 3.892 4.313 -0.421 25852 13054 1 19 . 1 1 124 124 MET CA C 124 56.905 56.905 57.852 -0.947 25852 13055 1 19 . 1 1 124 124 MET CB C 124 29.250 29.250 32.745 -3.495 25852 13056 1 19 . 1 1 124 124 MET H H 124 7.496 7.496 7.798 -0.302 25852 13057 1 19 . 1 1 125 125 ILE N N 125 117.801 117.801 118.422 -0.621 25852 13058 1 19 . 1 1 125 125 ILE HA H 125 3.409 3.409 3.913 -0.504 25852 13059 1 19 . 1 1 125 125 ILE CA C 125 60.131 60.131 64.133 -4.002 25852 13060 1 19 . 1 1 125 125 ILE CB C 125 33.240 33.240 38.243 -5.003 25852 13061 1 19 . 1 1 125 125 ILE H H 125 7.762 7.762 7.906 -0.144 25852 13062 1 19 . 1 1 126 126 ARG N N 126 117.729 117.729 118.079 -0.350 25852 13063 1 19 . 1 1 126 126 ARG HA H 126 3.883 3.883 3.982 -0.099 25852 13064 1 19 . 1 1 126 126 ARG CA C 126 56.673 56.673 59.283 -2.611 25852 13065 1 19 . 1 1 126 126 ARG CB C 126 29.478 29.478 30.025 -0.547 25852 13066 1 19 . 1 1 126 126 ARG H H 126 8.055 8.055 8.650 -0.595 25852 13067 1 19 . 1 1 127 127 GLU N N 127 117.539 117.539 117.267 0.272 25852 13068 1 19 . 1 1 127 127 GLU HA H 127 3.861 3.861 4.134 -0.273 25852 13069 1 19 . 1 1 127 127 GLU CA C 127 56.319 56.319 58.392 -2.073 25852 13070 1 19 . 1 1 127 127 GLU CB C 127 26.286 26.286 29.237 -2.951 25852 13071 1 19 . 1 1 127 127 GLU H H 127 7.700 7.700 7.685 0.015 25852 13072 1 19 . 1 1 128 128 ALA N N 128 116.677 116.677 119.990 -3.313 25852 13073 1 19 . 1 1 128 128 ALA HA H 128 4.500 4.500 4.409 0.091 25852 13074 1 19 . 1 1 128 128 ALA CA C 128 48.205 48.205 51.786 -3.581 25852 13075 1 19 . 1 1 128 128 ALA CB C 128 19.633 19.633 20.704 -1.071 25852 13076 1 19 . 1 1 128 128 ALA H H 128 7.223 7.223 7.620 -0.397 25852 13077 1 19 . 1 1 129 129 ASP N N 129 118.030 118.030 119.268 -1.238 25852 13078 1 19 . 1 1 129 129 ASP HA H 129 4.460 4.460 4.883 -0.423 25852 13079 1 19 . 1 1 129 129 ASP CA C 129 51.485 51.485 56.197 -4.712 25852 13080 1 19 . 1 1 129 129 ASP CB C 129 38.195 38.195 41.237 -3.042 25852 13081 1 19 . 1 1 129 129 ASP H H 129 7.895 7.895 8.399 -0.504 25852 13082 1 19 . 1 1 130 130 ILE N N 130 127.693 127.693 126.865 0.828 25852 13083 1 19 . 1 1 130 130 ILE HA H 130 3.797 3.797 4.034 -0.237 25852 13084 1 19 . 1 1 130 130 ILE CA C 130 60.522 60.522 63.676 -3.154 25852 13085 1 19 . 1 1 130 130 ILE CB C 130 36.090 36.090 38.630 -2.540 25852 13086 1 19 . 1 1 130 130 ILE H H 130 8.148 8.148 9.033 -0.885 25852 13087 1 19 . 1 1 131 131 ASP N N 131 116.409 116.409 117.793 -1.384 25852 13088 1 19 . 1 1 131 131 ASP HA H 131 4.376 4.376 4.653 -0.277 25852 13089 1 19 . 1 1 131 131 ASP CA C 131 51.187 51.187 54.789 -3.602 25852 13090 1 19 . 1 1 131 131 ASP CB C 131 37.468 37.468 42.333 -4.865 25852 13091 1 19 . 1 1 131 131 ASP H H 131 8.288 8.288 8.205 0.083 25852 13092 1 19 . 1 1 132 132 GLY N N 132 108.363 108.363 108.933 -0.570 25852 13093 1 19 . 1 1 132 132 GLY CA C 132 44.638 44.638 45.342 -0.704 25852 13094 1 19 . 1 1 132 132 GLY H H 132 7.630 7.630 7.759 -0.129 25852 13095 1 19 . 1 1 133 133 ASP N N 133 120.183 120.183 120.070 0.113 25852 13096 1 19 . 1 1 133 133 ASP HA H 133 4.329 4.329 4.547 -0.218 25852 13097 1 19 . 1 1 133 133 ASP CA C 133 50.942 50.942 55.309 -4.367 25852 13098 1 19 . 1 1 133 133 ASP CB C 133 37.458 37.458 41.744 -4.286 25852 13099 1 19 . 1 1 133 133 ASP H H 133 8.298 8.298 8.549 -0.251 25852 13100 1 19 . 1 1 134 134 GLY N N 134 112.149 112.149 108.578 3.571 25852 13101 1 19 . 1 1 134 134 GLY CA C 134 43.122 43.122 44.995 -1.873 25852 13102 1 19 . 1 1 134 134 GLY H H 134 10.079 10.079 8.017 2.062 25852 13103 1 19 . 1 1 135 135 GLN N N 135 115.069 115.069 117.809 -2.740 25852 13104 1 19 . 1 1 135 135 GLN HA H 135 4.844 4.844 4.569 0.275 25852 13105 1 19 . 1 1 135 135 GLN CA C 135 50.454 50.454 54.731 -4.277 25852 13106 1 19 . 1 1 135 135 GLN CB C 135 30.614 30.614 32.091 -1.477 25852 13107 1 19 . 1 1 135 135 GLN H H 135 7.922 7.922 7.729 0.193 25852 13108 1 19 . 1 1 136 136 VAL N N 136 125.107 125.107 125.946 -0.839 25852 13109 1 19 . 1 1 136 136 VAL HA H 136 5.096 5.096 4.775 0.321 25852 13110 1 19 . 1 1 136 136 VAL CA C 136 58.713 58.713 61.711 -2.998 25852 13111 1 19 . 1 1 136 136 VAL CB C 136 31.416 31.416 32.043 -0.627 25852 13112 1 19 . 1 1 136 136 VAL H H 136 9.046 9.046 8.524 0.522 25852 13113 1 19 . 1 1 137 137 ASN N N 137 128.858 128.858 125.770 3.088 25852 13114 1 19 . 1 1 137 137 ASN HA H 137 5.226 5.226 4.905 0.321 25852 13115 1 19 . 1 1 137 137 ASN CA C 137 48.352 48.352 52.534 -4.182 25852 13116 1 19 . 1 1 137 137 ASN CB C 137 35.640 35.640 40.156 -4.516 25852 13117 1 19 . 1 1 137 137 ASN H H 137 9.458 9.458 9.066 0.392 25852 13118 1 19 . 1 1 138 138 TYR N N 138 118.481 118.481 121.097 -2.616 25852 13119 1 19 . 1 1 138 138 TYR HA H 138 3.603 3.603 4.283 -0.680 25852 13120 1 19 . 1 1 138 138 TYR CA C 138 59.669 59.669 63.355 -3.686 25852 13121 1 19 . 1 1 138 138 TYR CB C 138 37.572 37.572 38.380 -0.808 25852 13122 1 19 . 1 1 138 138 TYR H H 138 8.235 8.235 8.978 -0.743 25852 13123 1 19 . 1 1 139 139 GLU N N 139 118.474 118.474 118.667 -0.193 25852 13124 1 19 . 1 1 139 139 GLU HA H 139 3.868 3.868 4.120 -0.252 25852 13125 1 19 . 1 1 139 139 GLU CA C 139 57.540 57.540 59.557 -2.017 25852 13126 1 19 . 1 1 139 139 GLU CB C 139 26.274 26.274 28.971 -2.696 25852 13127 1 19 . 1 1 139 139 GLU H H 139 8.067 8.067 9.041 -0.974 25852 13128 1 19 . 1 1 140 140 GLU N N 140 119.279 119.279 118.461 0.818 25852 13129 1 19 . 1 1 140 140 GLU HA H 140 3.880 3.880 4.282 -0.402 25852 13130 1 19 . 1 1 140 140 GLU CA C 140 56.025 56.025 58.384 -2.359 25852 13131 1 19 . 1 1 140 140 GLU CB C 140 26.274 26.274 29.807 -3.533 25852 13132 1 19 . 1 1 140 140 GLU H H 140 8.742 8.742 8.514 0.228 25852 13133 1 19 . 1 1 141 141 PHE N N 141 124.141 124.141 119.677 4.464 25852 13134 1 19 . 1 1 141 141 PHE HA H 141 3.602 3.602 4.235 -0.633 25852 13135 1 19 . 1 1 141 141 PHE CA C 141 59.447 59.447 60.409 -0.962 25852 13136 1 19 . 1 1 141 141 PHE CB C 141 37.686 37.686 39.544 -1.857 25852 13137 1 19 . 1 1 141 141 PHE H H 141 8.593 8.593 7.698 0.895 25852 13138 1 19 . 1 1 142 142 VAL N N 142 118.383 118.383 117.107 1.276 25852 13139 1 19 . 1 1 142 142 VAL HA H 142 2.986 2.986 3.883 -0.897 25852 13140 1 19 . 1 1 142 142 VAL CA C 142 64.432 64.432 65.172 -0.740 25852 13141 1 19 . 1 1 142 142 VAL CB C 142 28.908 28.908 31.895 -2.987 25852 13142 1 19 . 1 1 142 142 VAL H H 142 8.776 8.776 8.424 0.352 25852 13143 1 19 . 1 1 143 143 GLN N N 143 119.891 119.891 119.651 0.240 25852 13144 1 19 . 1 1 143 143 GLN HA H 143 3.671 3.671 4.109 -0.438 25852 13145 1 19 . 1 1 143 143 GLN CA C 143 56.514 56.514 58.321 -1.807 25852 13146 1 19 . 1 1 143 143 GLN CB C 143 25.246 25.246 27.693 -2.447 25852 13147 1 19 . 1 1 143 143 GLN H H 143 7.787 7.787 7.901 -0.114 25852 13148 1 19 . 1 1 144 144 MET N N 144 118.429 118.429 120.246 -1.817 25852 13149 1 19 . 1 1 144 144 MET HA H 144 3.892 3.892 4.240 -0.348 25852 13150 1 19 . 1 1 144 144 MET CA C 144 55.683 55.683 57.451 -1.768 25852 13151 1 19 . 1 1 144 144 MET CB C 144 28.110 28.110 31.754 -3.644 25852 13152 1 19 . 1 1 144 144 MET H H 144 7.450 7.450 7.833 -0.383 25852 13153 1 19 . 1 1 145 145 MET N N 145 114.145 114.145 116.960 -2.815 25852 13154 1 19 . 1 1 145 145 MET HA H 145 3.905 3.905 4.574 -0.669 25852 13155 1 19 . 1 1 145 145 MET CA C 145 53.630 53.630 57.099 -3.469 25852 13156 1 19 . 1 1 145 145 MET CB C 145 29.592 29.592 32.417 -2.825 25852 13157 1 19 . 1 1 145 145 MET H H 145 7.724 7.724 8.037 -0.313 25852 13158 1 19 . 1 1 146 146 THR N N 146 108.482 108.482 113.305 -4.823 25852 13159 1 19 . 1 1 146 146 THR HA H 146 4.170 4.170 4.436 -0.266 25852 13160 1 19 . 1 1 146 146 THR CA C 146 59.251 59.251 62.352 -3.102 25852 13161 1 19 . 1 1 146 146 THR CB C 146 67.896 67.896 70.083 -2.187 25852 13162 1 19 . 1 1 146 146 THR H H 146 7.700 7.700 7.483 0.217 25852 13163 1 19 . 1 1 147 147 ALA N N 147 126.469 126.469 125.113 1.356 25852 13164 1 19 . 1 1 147 147 ALA HA H 147 4.095 4.095 4.095 0.000 25852 13165 1 19 . 1 1 147 147 ALA CA C 147 50.307 50.307 53.675 -3.368 25852 13166 1 19 . 1 1 147 147 ALA CB C 147 16.336 16.336 19.150 -2.814 25852 13167 1 19 . 1 1 147 147 ALA H H 147 7.291 7.291 8.789 -1.498 25852 13168 1 20 . 1 1 3 3 GLN N N 3 118.120 118.120 122.437 -4.317 25852 13169 1 20 . 1 1 3 3 GLN HA H 3 4.688 4.688 4.259 0.429 25852 13170 1 20 . 1 1 3 3 GLN CA C 3 53.500 53.500 56.744 -3.244 25852 13171 1 20 . 1 1 3 3 GLN CB C 3 29.475 29.475 30.255 -0.780 25852 13172 1 20 . 1 1 3 3 GLN H H 3 8.134 8.134 8.933 -0.799 25852 13173 1 20 . 1 1 4 4 LEU N N 4 121.407 121.407 118.229 3.178 25852 13174 1 20 . 1 1 4 4 LEU HA H 4 4.460 4.460 4.656 -0.196 25852 13175 1 20 . 1 1 4 4 LEU CA C 4 51.650 51.650 53.524 -1.874 25852 13176 1 20 . 1 1 4 4 LEU CB C 4 40.715 40.715 42.415 -1.700 25852 13177 1 20 . 1 1 4 4 LEU H H 4 8.202 8.202 7.788 0.414 25852 13178 1 20 . 1 1 5 5 THR N N 5 112.733 112.733 109.784 2.949 25852 13179 1 20 . 1 1 5 5 THR HA H 5 4.265 4.265 4.494 -0.229 25852 13180 1 20 . 1 1 5 5 THR CA C 5 59.433 59.433 60.430 -0.997 25852 13181 1 20 . 1 1 5 5 THR CB C 5 67.475 67.475 70.286 -2.811 25852 13182 1 20 . 1 1 5 5 THR H H 5 8.691 8.691 7.816 0.875 25852 13183 1 20 . 1 1 6 6 GLU N N 6 119.971 119.971 120.857 -0.886 25852 13184 1 20 . 1 1 6 6 GLU HA H 6 3.854 3.854 3.971 -0.117 25852 13185 1 20 . 1 1 6 6 GLU CA C 6 56.756 56.756 59.772 -3.016 25852 13186 1 20 . 1 1 6 6 GLU CB C 6 26.508 26.508 29.657 -3.150 25852 13187 1 20 . 1 1 6 6 GLU H H 6 8.953 8.953 8.881 0.072 25852 13188 1 20 . 1 1 7 7 GLU N N 7 119.133 119.133 117.848 1.285 25852 13189 1 20 . 1 1 7 7 GLU HA H 7 3.898 3.898 3.948 -0.050 25852 13190 1 20 . 1 1 7 7 GLU CA C 7 56.756 56.756 59.121 -2.365 25852 13191 1 20 . 1 1 7 7 GLU CB C 7 26.279 26.279 28.774 -2.495 25852 13192 1 20 . 1 1 7 7 GLU H H 7 8.653 8.653 8.483 0.170 25852 13193 1 20 . 1 1 8 8 GLN N N 8 120.207 120.207 117.733 2.474 25852 13194 1 20 . 1 1 8 8 GLN HA H 8 3.957 3.957 4.148 -0.191 25852 13195 1 20 . 1 1 8 8 GLN CA C 8 57.099 57.099 58.588 -1.489 25852 13196 1 20 . 1 1 8 8 GLN CB C 8 26.737 26.737 28.655 -1.918 25852 13197 1 20 . 1 1 8 8 GLN H H 8 7.645 7.645 7.632 0.013 25852 13198 1 20 . 1 1 9 9 ILE N N 9 118.171 118.171 120.958 -2.787 25852 13199 1 20 . 1 1 9 9 ILE HA H 9 3.354 3.354 4.054 -0.700 25852 13200 1 20 . 1 1 9 9 ILE CA C 9 62.714 62.714 63.214 -0.500 25852 13201 1 20 . 1 1 9 9 ILE CB C 9 35.216 35.216 36.325 -1.109 25852 13202 1 20 . 1 1 9 9 ILE H H 9 8.153 8.153 7.475 0.678 25852 13203 1 20 . 1 1 10 10 ALA N N 10 120.124 120.124 120.425 -0.301 25852 13204 1 20 . 1 1 10 10 ALA HA H 10 3.966 3.966 4.144 -0.178 25852 13205 1 20 . 1 1 10 10 ALA CA C 10 52.746 52.746 54.604 -1.858 25852 13206 1 20 . 1 1 10 10 ALA CB C 10 15.165 15.165 18.948 -3.783 25852 13207 1 20 . 1 1 10 10 ALA H H 10 7.835 7.835 8.482 -0.647 25852 13208 1 20 . 1 1 11 11 GLU N N 11 119.983 119.983 116.235 3.748 25852 13209 1 20 . 1 1 11 11 GLU HA H 11 3.904 3.904 4.841 -0.937 25852 13210 1 20 . 1 1 11 11 GLU CA C 11 56.560 56.560 56.999 -0.439 25852 13211 1 20 . 1 1 11 11 GLU CB C 11 27.425 27.425 31.561 -4.136 25852 13212 1 20 . 1 1 11 11 GLU H H 11 7.706 7.706 7.812 -0.106 25852 13213 1 20 . 1 1 12 12 PHE N N 12 119.907 119.907 120.741 -0.834 25852 13214 1 20 . 1 1 12 12 PHE HA H 12 4.726 4.726 4.724 0.002 25852 13215 1 20 . 1 1 12 12 PHE CA C 12 55.839 55.839 60.478 -4.639 25852 13216 1 20 . 1 1 12 12 PHE CB C 12 33.955 33.955 39.067 -5.112 25852 13217 1 20 . 1 1 12 12 PHE H H 12 8.728 8.728 9.121 -0.393 25852 13218 1 20 . 1 1 13 13 LYS N N 13 121.208 121.208 120.212 0.996 25852 13219 1 20 . 1 1 13 13 LYS HA H 13 3.904 3.904 3.590 0.314 25852 13220 1 20 . 1 1 13 13 LYS CA C 13 57.290 57.290 58.432 -1.142 25852 13221 1 20 . 1 1 13 13 LYS CB C 13 30.174 30.174 32.220 -2.046 25852 13222 1 20 . 1 1 13 13 LYS H H 13 9.161 9.161 7.881 1.280 25852 13223 1 20 . 1 1 14 14 GLU N N 14 120.226 120.226 120.531 -0.305 25852 13224 1 20 . 1 1 14 14 GLU HA H 14 3.953 3.953 4.260 -0.307 25852 13225 1 20 . 1 1 14 14 GLU CA C 14 56.460 56.460 58.580 -2.120 25852 13226 1 20 . 1 1 14 14 GLU CB C 14 26.623 26.623 29.559 -2.936 25852 13227 1 20 . 1 1 14 14 GLU H H 14 7.980 7.980 8.007 -0.027 25852 13228 1 20 . 1 1 15 15 ALA N N 15 120.572 120.572 122.205 -1.633 25852 13229 1 20 . 1 1 15 15 ALA HA H 15 4.170 4.170 4.237 -0.067 25852 13230 1 20 . 1 1 15 15 ALA CA C 15 52.750 52.750 54.824 -2.074 25852 13231 1 20 . 1 1 15 15 ALA CB C 15 16.425 16.425 18.603 -2.178 25852 13232 1 20 . 1 1 15 15 ALA H H 15 7.563 7.563 8.719 -1.156 25852 13233 1 20 . 1 1 16 16 PHE N N 16 117.784 117.784 117.150 0.634 25852 13234 1 20 . 1 1 16 16 PHE HA H 16 3.904 3.904 4.518 -0.614 25852 13235 1 20 . 1 1 16 16 PHE CA C 16 59.540 59.540 60.394 -0.854 25852 13236 1 20 . 1 1 16 16 PHE CB C 16 36.820 36.820 40.438 -3.619 25852 13237 1 20 . 1 1 16 16 PHE H H 16 8.453 8.453 8.202 0.251 25852 13238 1 20 . 1 1 17 17 SER N N 17 110.774 110.774 114.407 -3.633 25852 13239 1 20 . 1 1 17 17 SER HA H 17 4.086 4.086 4.502 -0.416 25852 13240 1 20 . 1 1 17 17 SER CA C 17 58.560 58.560 60.609 -2.050 25852 13241 1 20 . 1 1 17 17 SER CB C 17 60.651 60.651 63.773 -3.122 25852 13242 1 20 . 1 1 17 17 SER H H 17 8.351 8.351 7.917 0.434 25852 13243 1 20 . 1 1 18 18 LEU N N 18 120.947 120.947 120.979 -0.032 25852 13244 1 20 . 1 1 18 18 LEU HA H 18 3.614 3.614 4.137 -0.523 25852 13245 1 20 . 1 1 18 18 LEU CA C 18 55.839 55.839 57.627 -1.788 25852 13246 1 20 . 1 1 18 18 LEU CB C 18 39.111 39.111 42.917 -3.806 25852 13247 1 20 . 1 1 18 18 LEU H H 18 7.278 7.278 8.449 -1.171 25852 13248 1 20 . 1 1 19 19 PHE N N 19 114.458 114.458 113.077 1.381 25852 13249 1 20 . 1 1 19 19 PHE HA H 19 3.904 3.904 4.589 -0.685 25852 13250 1 20 . 1 1 19 19 PHE CA C 19 56.870 56.870 57.740 -0.871 25852 13251 1 20 . 1 1 19 19 PHE CB C 19 33.841 33.841 41.551 -7.710 25852 13252 1 20 . 1 1 19 19 PHE H H 19 7.304 7.304 7.670 -0.366 25852 13253 1 20 . 1 1 20 20 ASP N N 20 122.233 122.233 121.915 0.318 25852 13254 1 20 . 1 1 20 20 ASP HA H 20 4.874 4.874 4.825 0.049 25852 13255 1 20 . 1 1 20 20 ASP CA C 20 50.454 50.454 52.875 -2.421 25852 13256 1 20 . 1 1 20 20 ASP CB C 20 37.622 37.622 39.408 -1.786 25852 13257 1 20 . 1 1 20 20 ASP H H 20 7.233 7.233 8.155 -0.922 25852 13258 1 20 . 1 1 21 21 LYS N N 21 123.433 123.433 124.642 -1.209 25852 13259 1 20 . 1 1 21 21 LYS HA H 21 3.771 3.771 4.227 -0.456 25852 13260 1 20 . 1 1 21 21 LYS CA C 21 56.025 56.025 58.123 -2.098 25852 13261 1 20 . 1 1 21 21 LYS CB C 21 29.601 29.601 32.521 -2.920 25852 13262 1 20 . 1 1 21 21 LYS H H 21 8.007 8.007 8.084 -0.077 25852 13263 1 20 . 1 1 22 22 ASP N N 22 116.890 116.890 119.141 -2.251 25852 13264 1 20 . 1 1 22 22 ASP HA H 22 4.400 4.400 4.527 -0.127 25852 13265 1 20 . 1 1 22 22 ASP CA C 22 50.683 50.683 54.313 -3.630 25852 13266 1 20 . 1 1 22 22 ASP CB C 22 37.049 37.049 40.320 -3.271 25852 13267 1 20 . 1 1 22 22 ASP H H 22 8.641 8.641 8.219 0.422 25852 13268 1 20 . 1 1 23 23 GLY N N 23 110.068 110.068 107.180 2.888 25852 13269 1 20 . 1 1 23 23 GLY CA C 23 43.745 43.745 45.175 -1.431 25852 13270 1 20 . 1 1 23 23 GLY H H 23 7.938 7.938 8.050 -0.112 25852 13271 1 20 . 1 1 24 24 ASP N N 24 120.219 120.219 120.484 -0.265 25852 13272 1 20 . 1 1 24 24 ASP HA H 24 4.367 4.367 4.851 -0.484 25852 13273 1 20 . 1 1 24 24 ASP CA C 24 51.040 51.040 53.346 -2.306 25852 13274 1 20 . 1 1 24 24 ASP CB C 24 37.438 37.438 40.826 -3.388 25852 13275 1 20 . 1 1 24 24 ASP H H 24 8.723 8.723 8.311 0.412 25852 13276 1 20 . 1 1 25 25 GLY N N 25 111.889 111.889 109.568 2.321 25852 13277 1 20 . 1 1 25 25 GLY CA C 25 42.680 42.680 46.326 -3.646 25852 13278 1 20 . 1 1 25 25 GLY H H 25 10.132 10.132 7.992 2.140 25852 13279 1 20 . 1 1 26 26 THR N N 26 109.844 109.844 118.216 -8.372 25852 13280 1 20 . 1 1 26 26 THR HA H 26 5.386 5.386 4.811 0.575 25852 13281 1 20 . 1 1 26 26 THR CA C 26 56.950 56.950 60.743 -3.793 25852 13282 1 20 . 1 1 26 26 THR CB C 26 70.234 70.234 71.423 -1.189 25852 13283 1 20 . 1 1 26 26 THR H H 26 7.507 7.507 8.044 -0.537 25852 13284 1 20 . 1 1 27 27 ILE N N 27 110.289 110.289 115.000 -4.711 25852 13285 1 20 . 1 1 27 27 ILE HA H 27 3.891 3.891 4.560 -0.669 25852 13286 1 20 . 1 1 27 27 ILE CA C 27 58.360 58.360 58.511 -0.151 25852 13287 1 20 . 1 1 27 27 ILE CB C 27 35.559 35.559 40.944 -5.385 25852 13288 1 20 . 1 1 27 27 ILE H H 27 8.191 8.191 7.678 0.513 25852 13289 1 20 . 1 1 28 28 THR N N 28 110.507 110.507 113.981 -3.474 25852 13290 1 20 . 1 1 28 28 THR HA H 28 4.895 4.895 4.170 0.725 25852 13291 1 20 . 1 1 28 28 THR CA C 28 57.787 57.787 62.949 -5.162 25852 13292 1 20 . 1 1 28 28 THR CB C 28 68.099 68.099 69.573 -1.474 25852 13293 1 20 . 1 1 28 28 THR H H 28 8.265 8.265 8.326 -0.061 25852 13294 1 20 . 1 1 29 29 THR N N 29 112.331 112.331 114.801 -2.470 25852 13295 1 20 . 1 1 29 29 THR HA H 29 3.941 3.941 3.979 -0.038 25852 13296 1 20 . 1 1 29 29 THR CA C 29 63.840 63.840 65.529 -1.690 25852 13297 1 20 . 1 1 29 29 THR CB C 29 65.807 65.807 68.763 -2.956 25852 13298 1 20 . 1 1 29 29 THR H H 29 8.225 8.225 8.363 -0.138 25852 13299 1 20 . 1 1 30 30 LYS N N 30 118.985 118.985 121.182 -2.197 25852 13300 1 20 . 1 1 30 30 LYS HA H 30 3.965 3.965 3.918 0.047 25852 13301 1 20 . 1 1 30 30 LYS CA C 30 55.839 55.839 59.022 -3.183 25852 13302 1 20 . 1 1 30 30 LYS CB C 30 29.372 29.372 32.185 -2.813 25852 13303 1 20 . 1 1 30 30 LYS H H 30 7.559 7.559 8.666 -1.107 25852 13304 1 20 . 1 1 31 31 GLU N N 31 117.233 117.233 114.928 2.305 25852 13305 1 20 . 1 1 31 31 GLU HA H 31 3.965 3.965 4.164 -0.199 25852 13306 1 20 . 1 1 31 31 GLU CA C 31 57.140 57.140 56.649 0.491 25852 13307 1 20 . 1 1 31 31 GLU CB C 31 26.393 26.393 30.013 -3.620 25852 13308 1 20 . 1 1 31 31 GLU H H 31 7.431 7.431 7.679 -0.248 25852 13309 1 20 . 1 1 32 32 LEU N N 32 120.701 120.701 122.609 -1.908 25852 13310 1 20 . 1 1 32 32 LEU HA H 32 3.880 3.880 3.779 0.101 25852 13311 1 20 . 1 1 32 32 LEU CA C 32 55.520 55.520 57.903 -2.383 25852 13312 1 20 . 1 1 32 32 LEU CB C 32 39.226 39.226 41.638 -2.412 25852 13313 1 20 . 1 1 32 32 LEU H H 32 7.270 7.270 7.696 -0.426 25852 13314 1 20 . 1 1 33 33 GLY N N 33 105.217 105.217 104.721 0.496 25852 13315 1 20 . 1 1 33 33 GLY CA C 33 45.642 45.642 47.778 -2.136 25852 13316 1 20 . 1 1 33 33 GLY H H 33 8.737 8.737 8.108 0.629 25852 13317 1 20 . 1 1 34 34 THR N N 34 118.196 118.196 118.743 -0.547 25852 13318 1 20 . 1 1 34 34 THR HA H 34 3.916 3.916 4.048 -0.132 25852 13319 1 20 . 1 1 34 34 THR CA C 34 63.859 63.859 66.896 -3.037 25852 13320 1 20 . 1 1 34 34 THR CB C 34 65.807 65.807 68.539 -2.732 25852 13321 1 20 . 1 1 34 34 THR H H 34 7.446 7.446 7.311 0.135 25852 13322 1 20 . 1 1 35 35 VAL N N 35 122.546 122.546 121.213 1.333 25852 13323 1 20 . 1 1 35 35 VAL HA H 35 3.373 3.373 3.883 -0.510 25852 13324 1 20 . 1 1 35 35 VAL CA C 35 64.088 64.088 65.926 -1.838 25852 13325 1 20 . 1 1 35 35 VAL CB C 35 28.799 28.799 30.979 -2.180 25852 13326 1 20 . 1 1 35 35 VAL H H 35 7.889 7.889 7.362 0.527 25852 13327 1 20 . 1 1 36 36 MET N N 36 118.307 118.307 117.977 0.330 25852 13328 1 20 . 1 1 36 36 MET HA H 36 3.880 3.880 4.364 -0.484 25852 13329 1 20 . 1 1 36 36 MET CA C 36 56.870 56.870 56.843 0.027 25852 13330 1 20 . 1 1 36 36 MET CB C 36 26.279 26.279 32.451 -6.172 25852 13331 1 20 . 1 1 36 36 MET H H 36 8.386 8.386 8.018 0.368 25852 13332 1 20 . 1 1 37 37 ARG N N 37 119.233 119.233 119.299 -0.066 25852 13333 1 20 . 1 1 37 37 ARG HA H 37 3.904 3.904 4.406 -0.502 25852 13334 1 20 . 1 1 37 37 ARG CA C 37 56.170 56.170 58.665 -2.495 25852 13335 1 20 . 1 1 37 37 ARG CB C 37 27.310 27.310 30.175 -2.865 25852 13336 1 20 . 1 1 37 37 ARG H H 37 8.451 8.451 8.402 0.049 25852 13337 1 20 . 1 1 38 38 SER N N 38 118.720 118.720 116.393 2.327 25852 13338 1 20 . 1 1 38 38 SER HA H 38 4.176 4.176 4.324 -0.148 25852 13339 1 20 . 1 1 38 38 SER CA C 38 59.250 59.250 60.846 -1.596 25852 13340 1 20 . 1 1 38 38 SER CB C 38 67.411 67.411 62.948 4.463 25852 13341 1 20 . 1 1 38 38 SER H H 38 8.040 8.040 8.232 -0.192 25852 13342 1 20 . 1 1 39 39 LEU N N 39 120.896 120.896 119.617 1.279 25852 13343 1 20 . 1 1 39 39 LEU HA H 39 4.460 4.460 4.438 0.022 25852 13344 1 20 . 1 1 39 39 LEU CA C 39 51.330 51.330 55.172 -3.842 25852 13345 1 20 . 1 1 39 39 LEU CB C 39 40.257 40.257 42.336 -2.079 25852 13346 1 20 . 1 1 39 39 LEU H H 39 7.263 7.263 7.504 -0.241 25852 13347 1 20 . 1 1 40 40 GLY N N 40 106.917 106.917 106.562 0.355 25852 13348 1 20 . 1 1 40 40 GLY CA C 40 42.880 42.880 44.547 -1.667 25852 13349 1 20 . 1 1 40 40 GLY H H 40 7.841 7.841 7.900 -0.059 25852 13350 1 20 . 1 1 41 41 GLN N N 41 117.171 117.171 120.056 -2.885 25852 13351 1 20 . 1 1 41 41 GLN HA H 41 4.243 4.243 4.285 -0.042 25852 13352 1 20 . 1 1 41 41 GLN CA C 41 52.631 52.631 55.582 -2.951 25852 13353 1 20 . 1 1 41 41 GLN CB C 41 30.747 30.747 29.604 1.143 25852 13354 1 20 . 1 1 41 41 GLN H H 41 7.687 7.687 7.735 -0.048 25852 13355 1 20 . 1 1 42 42 ASN N N 42 116.423 116.423 122.038 -5.615 25852 13356 1 20 . 1 1 42 42 ASN HA H 42 5.016 5.016 5.038 -0.022 25852 13357 1 20 . 1 1 42 42 ASN CA C 42 48.640 48.640 50.867 -2.227 25852 13358 1 20 . 1 1 42 42 ASN CB C 42 36.591 36.591 39.308 -2.717 25852 13359 1 20 . 1 1 42 42 ASN H H 42 8.601 8.601 8.763 -0.162 25852 13360 1 20 . 1 1 44 44 THR N N 44 113.033 113.033 114.022 -0.989 25852 13361 1 20 . 1 1 44 44 THR HA H 44 4.279 4.279 4.539 -0.260 25852 13362 1 20 . 1 1 44 44 THR CA C 44 57.640 57.640 59.033 -1.393 25852 13363 1 20 . 1 1 44 44 THR CB C 44 68.328 68.328 70.119 -1.791 25852 13364 1 20 . 1 1 44 44 THR H H 44 8.711 8.711 8.216 0.495 25852 13365 1 20 . 1 1 45 45 GLU N N 45 120.233 120.233 119.520 0.713 25852 13366 1 20 . 1 1 45 45 GLU HA H 45 3.892 3.892 4.188 -0.296 25852 13367 1 20 . 1 1 45 45 GLU CA C 45 56.756 56.756 58.472 -1.716 25852 13368 1 20 . 1 1 45 45 GLU CB C 45 26.393 26.393 29.698 -3.305 25852 13369 1 20 . 1 1 45 45 GLU H H 45 8.781 8.781 8.932 -0.151 25852 13370 1 20 . 1 1 46 46 ALA N N 46 120.833 120.833 122.600 -1.767 25852 13371 1 20 . 1 1 46 46 ALA HA H 46 3.868 3.868 4.168 -0.300 25852 13372 1 20 . 1 1 46 46 ALA CA C 46 52.310 52.310 54.742 -2.432 25852 13373 1 20 . 1 1 46 46 ALA CB C 46 15.394 15.394 18.393 -2.999 25852 13374 1 20 . 1 1 46 46 ALA H H 46 8.251 8.251 7.585 0.666 25852 13375 1 20 . 1 1 47 47 GLU N N 47 118.672 118.672 117.623 1.049 25852 13376 1 20 . 1 1 47 47 GLU HA H 47 3.965 3.965 4.302 -0.337 25852 13377 1 20 . 1 1 47 47 GLU CA C 47 56.641 56.641 58.056 -1.415 25852 13378 1 20 . 1 1 47 47 GLU CB C 47 26.623 26.623 29.579 -2.956 25852 13379 1 20 . 1 1 47 47 GLU H H 47 7.668 7.668 8.353 -0.685 25852 13380 1 20 . 1 1 48 48 LEU N N 48 119.645 119.645 120.177 -0.532 25852 13381 1 20 . 1 1 48 48 LEU HA H 48 3.892 3.892 4.150 -0.258 25852 13382 1 20 . 1 1 48 48 LEU CA C 48 55.610 55.610 57.622 -2.012 25852 13383 1 20 . 1 1 48 48 LEU CB C 48 39.340 39.340 41.357 -2.017 25852 13384 1 20 . 1 1 48 48 LEU H H 48 8.244 8.244 7.483 0.761 25852 13385 1 20 . 1 1 49 49 GLN N N 49 117.446 117.446 117.158 0.288 25852 13386 1 20 . 1 1 49 49 GLN HA H 49 3.892 3.892 4.280 -0.388 25852 13387 1 20 . 1 1 49 49 GLN CA C 49 56.756 56.756 57.910 -1.154 25852 13388 1 20 . 1 1 49 49 GLN CB C 49 26.508 26.508 28.680 -2.172 25852 13389 1 20 . 1 1 49 49 GLN H H 49 7.980 7.980 7.659 0.321 25852 13390 1 20 . 1 1 50 50 ASP N N 50 118.733 118.733 119.758 -1.025 25852 13391 1 20 . 1 1 50 50 ASP HA H 50 4.267 4.267 4.591 -0.324 25852 13392 1 20 . 1 1 50 50 ASP CA C 50 54.700 54.700 56.437 -1.737 25852 13393 1 20 . 1 1 50 50 ASP CB C 50 37.622 37.622 41.529 -3.907 25852 13394 1 20 . 1 1 50 50 ASP H H 50 7.761 7.761 7.529 0.232 25852 13395 1 20 . 1 1 51 51 MET N N 51 118.996 118.996 119.109 -0.113 25852 13396 1 20 . 1 1 51 51 MET HA H 51 3.892 3.892 4.457 -0.565 25852 13397 1 20 . 1 1 51 51 MET CA C 51 56.560 56.560 56.670 -0.110 25852 13398 1 20 . 1 1 51 51 MET CB C 51 29.601 29.601 32.573 -2.972 25852 13399 1 20 . 1 1 51 51 MET H H 51 7.900 7.900 8.416 -0.516 25852 13400 1 20 . 1 1 52 52 ILE N N 52 118.833 118.833 120.184 -1.351 25852 13401 1 20 . 1 1 52 52 ILE HA H 52 3.348 3.348 3.735 -0.387 25852 13402 1 20 . 1 1 52 52 ILE CA C 52 62.484 62.484 64.509 -2.025 25852 13403 1 20 . 1 1 52 52 ILE CB C 52 35.330 35.330 37.416 -2.086 25852 13404 1 20 . 1 1 52 52 ILE H H 52 8.261 8.261 7.589 0.672 25852 13405 1 20 . 1 1 53 53 ASN N N 53 117.296 117.296 116.475 0.821 25852 13406 1 20 . 1 1 53 53 ASN HA H 53 4.243 4.243 4.428 -0.185 25852 13407 1 20 . 1 1 53 53 ASN CA C 53 53.090 53.090 56.069 -2.979 25852 13408 1 20 . 1 1 53 53 ASN CB C 53 35.330 35.330 38.568 -3.238 25852 13409 1 20 . 1 1 53 53 ASN H H 53 8.186 8.186 7.687 0.499 25852 13410 1 20 . 1 1 54 54 GLU N N 54 117.133 117.133 118.164 -1.031 25852 13411 1 20 . 1 1 54 54 GLU HA H 54 3.965 3.965 4.195 -0.230 25852 13412 1 20 . 1 1 54 54 GLU CA C 54 56.412 56.412 58.421 -2.009 25852 13413 1 20 . 1 1 54 54 GLU CB C 54 26.508 26.508 30.136 -3.628 25852 13414 1 20 . 1 1 54 54 GLU H H 54 7.501 7.501 7.567 -0.066 25852 13415 1 20 . 1 1 55 55 VAL N N 55 112.928 112.928 118.113 -5.185 25852 13416 1 20 . 1 1 55 55 VAL HA H 55 4.194 4.194 4.038 0.156 25852 13417 1 20 . 1 1 55 55 VAL CA C 55 59.505 59.505 64.080 -4.575 25852 13418 1 20 . 1 1 55 55 VAL CB C 55 30.174 30.174 32.265 -2.091 25852 13419 1 20 . 1 1 55 55 VAL H H 55 7.575 7.575 8.067 -0.492 25852 13420 1 20 . 1 1 56 56 ASP N N 56 121.771 121.771 120.390 1.381 25852 13421 1 20 . 1 1 56 56 ASP HA H 56 4.388 4.388 4.476 -0.088 25852 13422 1 20 . 1 1 56 56 ASP CA C 56 50.990 50.990 54.423 -3.433 25852 13423 1 20 . 1 1 56 56 ASP CB C 56 36.820 36.820 39.331 -2.511 25852 13424 1 20 . 1 1 56 56 ASP H H 56 8.401 8.401 8.007 0.394 25852 13425 1 20 . 1 1 57 57 ALA N N 57 124.771 124.771 121.332 3.439 25852 13426 1 20 . 1 1 57 57 ALA HA H 57 4.001 4.001 4.296 -0.295 25852 13427 1 20 . 1 1 57 57 ALA CA C 57 52.402 52.402 53.351 -0.949 25852 13428 1 20 . 1 1 57 57 ALA CB C 57 15.280 15.280 19.452 -4.172 25852 13429 1 20 . 1 1 57 57 ALA H H 57 8.097 8.097 8.054 0.043 25852 13430 1 20 . 1 1 58 58 ASP N N 58 114.518 114.518 118.880 -4.362 25852 13431 1 20 . 1 1 58 58 ASP HA H 58 4.400 4.400 4.670 -0.270 25852 13432 1 20 . 1 1 58 58 ASP CA C 58 50.798 50.798 54.212 -3.414 25852 13433 1 20 . 1 1 58 58 ASP CB C 58 36.934 36.934 42.015 -5.081 25852 13434 1 20 . 1 1 58 58 ASP H H 58 8.376 8.376 7.755 0.621 25852 13435 1 20 . 1 1 59 59 GLY N N 59 108.798 108.798 108.270 0.528 25852 13436 1 20 . 1 1 59 59 GLY CA C 59 44.490 44.490 45.496 -1.006 25852 13437 1 20 . 1 1 59 59 GLY H H 59 7.827 7.827 8.563 -0.736 25852 13438 1 20 . 1 1 60 60 ASN N N 60 119.696 119.696 118.026 1.670 25852 13439 1 20 . 1 1 60 60 ASN HA H 60 4.688 4.688 4.708 -0.020 25852 13440 1 20 . 1 1 60 60 ASN CA C 60 51.943 51.943 53.546 -1.603 25852 13441 1 20 . 1 1 60 60 ASN CB C 60 38.424 38.424 39.810 -1.386 25852 13442 1 20 . 1 1 60 60 ASN H H 60 9.253 9.253 8.275 0.978 25852 13443 1 20 . 1 1 61 61 GLY N N 61 110.108 110.108 110.102 0.006 25852 13444 1 20 . 1 1 61 61 GLY CA C 61 42.870 42.870 46.141 -3.271 25852 13445 1 20 . 1 1 61 61 GLY H H 61 10.004 10.004 8.167 1.837 25852 13446 1 20 . 1 1 62 62 THR N N 62 110.533 110.533 111.040 -0.507 25852 13447 1 20 . 1 1 62 62 THR HA H 62 4.629 4.629 4.752 -0.123 25852 13448 1 20 . 1 1 62 62 THR CA C 62 59.162 59.162 59.731 -0.570 25852 13449 1 20 . 1 1 62 62 THR CB C 62 67.526 67.526 72.799 -5.273 25852 13450 1 20 . 1 1 62 62 THR H H 62 7.481 7.481 7.366 0.115 25852 13451 1 20 . 1 1 63 63 ILE N N 63 118.533 118.533 121.640 -3.107 25852 13452 1 20 . 1 1 63 63 ILE HA H 63 3.783 3.783 4.387 -0.604 25852 13453 1 20 . 1 1 63 63 ILE CA C 63 60.537 60.537 60.340 0.197 25852 13454 1 20 . 1 1 63 63 ILE CB C 63 36.018 36.018 40.366 -4.348 25852 13455 1 20 . 1 1 63 63 ILE H H 63 8.820 8.820 9.046 -0.226 25852 13456 1 20 . 1 1 64 64 ASP N N 64 122.928 122.928 127.916 -4.988 25852 13457 1 20 . 1 1 64 64 ASP HA H 64 4.327 4.327 4.724 -0.397 25852 13458 1 20 . 1 1 64 64 ASP CA C 64 51.027 51.027 55.895 -4.868 25852 13459 1 20 . 1 1 64 64 ASP CB C 64 37.278 37.278 41.545 -4.267 25852 13460 1 20 . 1 1 64 64 ASP H H 64 8.380 8.380 8.510 -0.130 25852 13461 1 20 . 1 1 65 65 PHE N N 65 118.559 118.559 119.123 -0.564 25852 13462 1 20 . 1 1 65 65 PHE HA H 65 3.880 3.880 5.049 -1.169 25852 13463 1 20 . 1 1 65 65 PHE CA C 65 56.870 56.870 61.146 -4.276 25852 13464 1 20 . 1 1 65 65 PHE CB C 65 33.497 33.497 36.685 -3.188 25852 13465 1 20 . 1 1 65 65 PHE H H 65 8.559 8.559 8.872 -0.313 25852 13466 1 20 . 1 1 67 67 GLU N N 67 117.546 117.546 114.787 2.759 25852 13467 1 20 . 1 1 67 67 GLU HA H 67 3.904 3.904 4.287 -0.383 25852 13468 1 20 . 1 1 67 67 GLU CA C 67 56.870 56.870 57.188 -0.318 25852 13469 1 20 . 1 1 67 67 GLU CB C 67 26.623 26.623 30.154 -3.531 25852 13470 1 20 . 1 1 67 67 GLU H H 67 7.995 7.995 8.257 -0.262 25852 13471 1 20 . 1 1 68 68 PHE N N 68 122.032 122.032 119.682 2.350 25852 13472 1 20 . 1 1 68 68 PHE HA H 68 3.904 3.904 4.450 -0.546 25852 13473 1 20 . 1 1 68 68 PHE CA C 68 59.047 59.047 60.177 -1.130 25852 13474 1 20 . 1 1 68 68 PHE CB C 68 36.934 36.934 38.530 -1.596 25852 13475 1 20 . 1 1 68 68 PHE H H 68 8.377 8.377 7.530 0.847 25852 13476 1 20 . 1 1 69 69 LEU N N 69 118.488 118.488 120.144 -1.656 25852 13477 1 20 . 1 1 69 69 LEU HA H 69 3.179 3.179 3.990 -0.811 25852 13478 1 20 . 1 1 69 69 LEU CA C 69 55.158 55.158 57.993 -2.835 25852 13479 1 20 . 1 1 69 69 LEU CB C 69 38.195 38.195 41.205 -3.010 25852 13480 1 20 . 1 1 69 69 LEU H H 69 8.393 8.393 7.091 1.302 25852 13481 1 20 . 1 1 70 70 THR N N 70 115.208 115.208 114.089 1.119 25852 13482 1 20 . 1 1 70 70 THR HA H 70 3.638 3.638 3.893 -0.255 25852 13483 1 20 . 1 1 70 70 THR CA C 70 63.630 63.630 66.242 -2.612 25852 13484 1 20 . 1 1 70 70 THR CB C 70 65.578 65.578 68.212 -2.634 25852 13485 1 20 . 1 1 70 70 THR H H 70 7.658 7.658 7.981 -0.323 25852 13486 1 20 . 1 1 71 71 MET N N 71 121.221 121.221 119.328 1.893 25852 13487 1 20 . 1 1 71 71 MET HA H 71 3.892 3.892 4.229 -0.337 25852 13488 1 20 . 1 1 71 71 MET CA C 71 56.303 56.303 58.810 -2.507 25852 13489 1 20 . 1 1 71 71 MET CB C 71 29.831 29.831 32.314 -2.483 25852 13490 1 20 . 1 1 71 71 MET H H 71 7.653 7.653 7.360 0.293 25852 13491 1 20 . 1 1 72 72 MET N N 72 117.459 117.459 117.501 -0.042 25852 13492 1 20 . 1 1 72 72 MET HA H 72 3.892 3.892 4.417 -0.525 25852 13493 1 20 . 1 1 72 72 MET CA C 72 53.777 53.777 57.670 -3.893 25852 13494 1 20 . 1 1 72 72 MET CB C 72 29.029 29.029 32.706 -3.677 25852 13495 1 20 . 1 1 72 72 MET H H 72 7.956 7.956 7.868 0.088 25852 13496 1 20 . 1 1 73 73 ALA N N 73 120.856 120.856 121.699 -0.843 25852 13497 1 20 . 1 1 73 73 ALA HA H 73 3.868 3.868 4.242 -0.374 25852 13498 1 20 . 1 1 73 73 ALA CA C 73 52.402 52.402 54.505 -2.103 25852 13499 1 20 . 1 1 73 73 ALA CB C 73 15.280 15.280 19.111 -3.831 25852 13500 1 20 . 1 1 73 73 ALA H H 73 8.230 8.230 8.078 0.152 25852 13501 1 20 . 1 1 74 74 ARG N N 74 116.530 116.530 116.454 0.076 25852 13502 1 20 . 1 1 74 74 ARG HA H 74 3.892 3.892 4.321 -0.429 25852 13503 1 20 . 1 1 74 74 ARG CA C 74 56.297 56.297 57.894 -1.597 25852 13504 1 20 . 1 1 74 74 ARG CB C 74 27.997 27.997 30.287 -2.290 25852 13505 1 20 . 1 1 74 74 ARG H H 74 7.409 7.409 7.942 -0.533 25852 13506 1 20 . 1 1 75 75 LYS N N 75 118.008 118.008 117.640 0.368 25852 13507 1 20 . 1 1 75 75 LYS HA H 75 3.965 3.965 4.320 -0.355 25852 13508 1 20 . 1 1 75 75 LYS CA C 75 55.495 55.495 58.022 -2.527 25852 13509 1 20 . 1 1 75 75 LYS CB C 75 26.279 26.279 32.119 -5.840 25852 13510 1 20 . 1 1 75 75 LYS H H 75 7.657 7.657 7.696 -0.039 25852 13511 1 20 . 1 1 76 76 MET N N 76 117.646 117.646 113.574 4.072 25852 13512 1 20 . 1 1 76 76 MET HA H 76 4.146 4.146 4.708 -0.562 25852 13513 1 20 . 1 1 76 76 MET CA C 76 53.947 53.947 56.686 -2.739 25852 13514 1 20 . 1 1 76 76 MET CB C 76 29.487 29.487 34.304 -4.817 25852 13515 1 20 . 1 1 76 76 MET H H 76 7.883 7.883 7.310 0.573 25852 13516 1 20 . 1 1 77 77 LYS N N 77 120.334 120.334 118.886 1.448 25852 13517 1 20 . 1 1 77 77 LYS HA H 77 3.941 3.941 4.170 -0.229 25852 13518 1 20 . 1 1 77 77 LYS CA C 77 56.526 56.526 58.090 -1.565 25852 13519 1 20 . 1 1 77 77 LYS CB C 77 27.425 27.425 32.416 -4.990 25852 13520 1 20 . 1 1 77 77 LYS H H 77 7.658 7.658 7.800 -0.142 25852 13521 1 20 . 1 1 78 78 ASP N N 78 121.733 121.733 116.658 5.075 25852 13522 1 20 . 1 1 78 78 ASP HA H 78 4.194 4.194 4.736 -0.542 25852 13523 1 20 . 1 1 78 78 ASP CA C 78 52.516 52.516 55.409 -2.893 25852 13524 1 20 . 1 1 78 78 ASP CB C 78 40.028 40.028 41.974 -1.946 25852 13525 1 20 . 1 1 78 78 ASP H H 78 8.212 8.212 7.914 0.298 25852 13526 1 20 . 1 1 79 79 THR N N 79 114.651 114.651 117.467 -2.816 25852 13527 1 20 . 1 1 79 79 THR HA H 79 4.170 4.170 4.209 -0.039 25852 13528 1 20 . 1 1 79 79 THR CA C 79 59.391 59.391 62.718 -3.327 25852 13529 1 20 . 1 1 79 79 THR CB C 79 67.067 67.067 67.718 -0.651 25852 13530 1 20 . 1 1 79 79 THR H H 79 8.048 8.048 7.888 0.160 25852 13531 1 20 . 1 1 80 80 ASP N N 80 122.484 122.484 124.371 -1.887 25852 13532 1 20 . 1 1 80 80 ASP HA H 80 4.363 4.363 4.353 0.010 25852 13533 1 20 . 1 1 80 80 ASP CA C 80 50.850 50.850 55.184 -4.333 25852 13534 1 20 . 1 1 80 80 ASP CB C 80 36.705 36.705 41.068 -4.363 25852 13535 1 20 . 1 1 80 80 ASP H H 80 8.432 8.432 8.049 0.383 25852 13536 1 20 . 1 1 81 81 SER N N 81 117.135 117.135 118.011 -0.876 25852 13537 1 20 . 1 1 81 81 SER HA H 81 4.267 4.267 4.529 -0.262 25852 13538 1 20 . 1 1 81 81 SER CA C 81 56.870 56.870 60.263 -3.393 25852 13539 1 20 . 1 1 81 81 SER CB C 81 60.884 60.884 63.592 -2.708 25852 13540 1 20 . 1 1 81 81 SER H H 81 8.403 8.403 8.710 -0.307 25852 13541 1 20 . 1 1 82 82 GLU N N 82 121.723 121.723 120.916 0.807 25852 13542 1 20 . 1 1 82 82 GLU HA H 82 3.883 3.883 4.356 -0.473 25852 13543 1 20 . 1 1 82 82 GLU CA C 82 56.707 56.707 58.568 -1.861 25852 13544 1 20 . 1 1 82 82 GLU CB C 82 29.831 29.831 29.407 0.424 25852 13545 1 20 . 1 1 82 82 GLU H H 82 8.443 8.443 8.293 0.150 25852 13546 1 20 . 1 1 83 83 GLU N N 83 119.259 119.259 118.117 1.142 25852 13547 1 20 . 1 1 83 83 GLU HA H 83 3.883 3.883 4.124 -0.241 25852 13548 1 20 . 1 1 83 83 GLU CA C 83 56.606 56.606 58.643 -2.037 25852 13549 1 20 . 1 1 83 83 GLU CB C 83 29.364 29.364 29.323 0.041 25852 13550 1 20 . 1 1 83 83 GLU H H 83 8.118 8.118 8.803 -0.685 25852 13551 1 20 . 1 1 84 84 GLU N N 84 118.060 118.060 118.225 -0.165 25852 13552 1 20 . 1 1 84 84 GLU HA H 84 3.871 3.871 4.370 -0.499 25852 13553 1 20 . 1 1 84 84 GLU CA C 84 56.606 56.606 58.813 -2.207 25852 13554 1 20 . 1 1 84 84 GLU CB C 84 25.817 25.817 29.152 -3.335 25852 13555 1 20 . 1 1 84 84 GLU H H 84 8.212 8.212 7.860 0.352 25852 13556 1 20 . 1 1 85 85 ILE N N 85 120.736 120.736 118.662 2.074 25852 13557 1 20 . 1 1 85 85 ILE HA H 85 3.678 3.678 4.063 -0.385 25852 13558 1 20 . 1 1 85 85 ILE CA C 85 62.484 62.484 63.829 -1.345 25852 13559 1 20 . 1 1 85 85 ILE CB C 85 35.445 35.445 38.486 -3.041 25852 13560 1 20 . 1 1 85 85 ILE H H 85 7.964 7.964 7.309 0.655 25852 13561 1 20 . 1 1 86 86 ARG N N 86 121.452 121.452 119.818 1.634 25852 13562 1 20 . 1 1 86 86 ARG HA H 86 3.989 3.989 4.126 -0.137 25852 13563 1 20 . 1 1 86 86 ARG CA C 86 56.985 56.985 59.162 -2.177 25852 13564 1 20 . 1 1 86 86 ARG CB C 86 26.856 26.856 29.662 -2.806 25852 13565 1 20 . 1 1 86 86 ARG H H 86 8.351 8.351 7.951 0.400 25852 13566 1 20 . 1 1 87 87 GLU N N 87 118.288 118.288 118.972 -0.684 25852 13567 1 20 . 1 1 87 87 GLU HA H 87 3.861 3.861 4.277 -0.416 25852 13568 1 20 . 1 1 87 87 GLU CA C 87 56.606 56.606 58.691 -2.085 25852 13569 1 20 . 1 1 87 87 GLU CB C 87 25.817 25.817 29.251 -3.434 25852 13570 1 20 . 1 1 87 87 GLU H H 87 8.238 8.238 7.997 0.241 25852 13571 1 20 . 1 1 88 88 ALA N N 88 120.408 120.408 121.862 -1.454 25852 13572 1 20 . 1 1 88 88 ALA HA H 88 4.013 4.013 4.303 -0.290 25852 13573 1 20 . 1 1 88 88 ALA CA C 88 52.263 52.263 54.748 -2.485 25852 13574 1 20 . 1 1 88 88 ALA CB C 88 15.080 15.080 18.493 -3.413 25852 13575 1 20 . 1 1 88 88 ALA H H 88 7.960 7.960 8.456 -0.496 25852 13576 1 20 . 1 1 89 89 PHE N N 89 118.123 118.123 117.428 0.695 25852 13577 1 20 . 1 1 89 89 PHE HA H 89 3.058 3.058 4.363 -1.305 25852 13578 1 20 . 1 1 89 89 PHE CA C 89 59.703 59.703 60.160 -0.457 25852 13579 1 20 . 1 1 89 89 PHE CB C 89 36.774 36.774 38.884 -2.110 25852 13580 1 20 . 1 1 89 89 PHE H H 89 8.498 8.498 7.544 0.954 25852 13581 1 20 . 1 1 90 90 ARG N N 90 116.002 116.002 118.937 -2.935 25852 13582 1 20 . 1 1 90 90 ARG HA H 90 3.892 3.892 4.245 -0.353 25852 13583 1 20 . 1 1 90 90 ARG CA C 90 56.168 56.168 57.537 -1.369 25852 13584 1 20 . 1 1 90 90 ARG CB C 90 27.654 27.654 30.084 -2.430 25852 13585 1 20 . 1 1 90 90 ARG H H 90 7.860 7.860 7.718 0.142 25852 13586 1 20 . 1 1 91 91 VAL N N 91 118.008 118.008 118.484 -0.476 25852 13587 1 20 . 1 1 91 91 VAL HA H 91 3.243 3.243 3.945 -0.702 25852 13588 1 20 . 1 1 91 91 VAL CA C 91 63.357 63.357 64.557 -1.200 25852 13589 1 20 . 1 1 91 91 VAL CB C 91 28.444 28.444 32.336 -3.892 25852 13590 1 20 . 1 1 91 91 VAL H H 91 7.300 7.300 7.579 -0.279 25852 13591 1 20 . 1 1 92 92 PHE N N 92 113.024 113.024 115.352 -2.328 25852 13592 1 20 . 1 1 92 92 PHE HA H 92 3.967 3.967 4.306 -0.339 25852 13593 1 20 . 1 1 92 92 PHE CA C 92 57.558 57.558 59.660 -2.102 25852 13594 1 20 . 1 1 92 92 PHE CB C 92 38.838 38.838 40.798 -1.960 25852 13595 1 20 . 1 1 92 92 PHE H H 92 6.805 6.805 7.819 -1.014 25852 13596 1 20 . 1 1 93 93 ASP N N 93 116.393 116.393 119.639 -3.246 25852 13597 1 20 . 1 1 93 93 ASP HA H 93 4.496 4.496 4.276 0.220 25852 13598 1 20 . 1 1 93 93 ASP CA C 93 49.525 49.525 55.093 -5.569 25852 13599 1 20 . 1 1 93 93 ASP CB C 93 35.788 35.788 40.265 -4.477 25852 13600 1 20 . 1 1 93 93 ASP H H 93 8.018 8.018 7.996 0.022 25852 13601 1 20 . 1 1 94 94 LYS N N 94 125.158 125.158 124.290 0.868 25852 13602 1 20 . 1 1 94 94 LYS HA H 94 3.892 3.892 4.137 -0.245 25852 13603 1 20 . 1 1 94 94 LYS CA C 94 56.183 56.183 58.346 -2.163 25852 13604 1 20 . 1 1 94 94 LYS CB C 94 29.945 29.945 32.774 -2.829 25852 13605 1 20 . 1 1 94 94 LYS H H 94 7.721 7.721 7.942 -0.221 25852 13606 1 20 . 1 1 95 95 ASP N N 95 113.893 113.893 118.728 -4.835 25852 13607 1 20 . 1 1 95 95 ASP HA H 95 4.415 4.415 4.467 -0.052 25852 13608 1 20 . 1 1 95 95 ASP CA C 95 50.683 50.683 54.950 -4.267 25852 13609 1 20 . 1 1 95 95 ASP CB C 95 36.774 36.774 40.314 -3.540 25852 13610 1 20 . 1 1 95 95 ASP H H 95 8.156 8.156 8.291 -0.135 25852 13611 1 20 . 1 1 96 96 GLY N N 96 108.799 108.799 107.342 1.457 25852 13612 1 20 . 1 1 96 96 GLY CA C 96 44.344 44.344 46.123 -1.779 25852 13613 1 20 . 1 1 96 96 GLY H H 96 7.717 7.717 8.341 -0.624 25852 13614 1 20 . 1 1 97 97 ASN N N 97 119.381 119.381 118.438 0.943 25852 13615 1 20 . 1 1 97 97 ASN HA H 97 4.500 4.500 4.747 -0.247 25852 13616 1 20 . 1 1 97 97 ASN CA C 97 49.916 49.916 53.058 -3.142 25852 13617 1 20 . 1 1 97 97 ASN CB C 97 35.183 35.183 39.304 -4.121 25852 13618 1 20 . 1 1 97 97 ASN H H 97 8.312 8.312 8.210 0.102 25852 13619 1 20 . 1 1 98 98 GLY N N 98 112.330 112.330 106.784 5.546 25852 13620 1 20 . 1 1 98 98 GLY CA C 98 42.434 42.434 45.262 -2.828 25852 13621 1 20 . 1 1 98 98 GLY H H 98 10.555 10.555 7.982 2.573 25852 13622 1 20 . 1 1 99 99 TYR N N 99 116.075 116.075 119.063 -2.988 25852 13623 1 20 . 1 1 99 99 TYR HA H 99 4.871 4.871 5.044 -0.173 25852 13624 1 20 . 1 1 99 99 TYR CA C 99 53.582 53.582 56.109 -2.527 25852 13625 1 20 . 1 1 99 99 TYR CB C 99 39.981 39.981 39.772 0.209 25852 13626 1 20 . 1 1 99 99 TYR H H 99 7.650 7.650 7.648 0.002 25852 13627 1 20 . 1 1 100 100 ILE N N 100 126.834 126.834 126.299 0.535 25852 13628 1 20 . 1 1 100 100 ILE HA H 100 4.493 4.493 4.069 0.424 25852 13629 1 20 . 1 1 100 100 ILE CA C 100 58.616 58.616 61.504 -2.888 25852 13630 1 20 . 1 1 100 100 ILE CB C 100 35.903 35.903 36.727 -0.824 25852 13631 1 20 . 1 1 100 100 ILE H H 100 10.037 10.037 8.307 1.730 25852 13632 1 20 . 1 1 101 101 SER N N 101 123.486 123.486 123.593 -0.107 25852 13633 1 20 . 1 1 101 101 SER HA H 101 4.738 4.738 4.644 0.094 25852 13634 1 20 . 1 1 101 101 SER CA C 101 52.897 52.897 57.528 -4.631 25852 13635 1 20 . 1 1 101 101 SER CB C 101 64.134 64.134 64.593 -0.459 25852 13636 1 20 . 1 1 101 101 SER H H 101 8.904 8.904 7.973 0.931 25852 13637 1 20 . 1 1 102 102 ALA N N 102 122.796 122.796 122.867 -0.071 25852 13638 1 20 . 1 1 102 102 ALA HA H 102 3.747 3.747 4.004 -0.257 25852 13639 1 20 . 1 1 102 102 ALA CA C 102 53.093 53.093 55.096 -2.003 25852 13640 1 20 . 1 1 102 102 ALA CB C 102 15.114 15.114 18.163 -3.049 25852 13641 1 20 . 1 1 102 102 ALA H H 102 9.246 9.246 8.578 0.668 25852 13642 1 20 . 1 1 103 103 ALA N N 103 118.362 118.362 118.040 0.322 25852 13643 1 20 . 1 1 103 103 ALA HA H 103 3.861 3.861 4.154 -0.293 25852 13644 1 20 . 1 1 103 103 ALA CA C 103 52.409 52.409 53.776 -1.367 25852 13645 1 20 . 1 1 103 103 ALA CB C 103 15.456 15.456 18.657 -3.201 25852 13646 1 20 . 1 1 103 103 ALA H H 103 8.214 8.214 8.294 -0.080 25852 13647 1 20 . 1 1 104 104 GLU N N 104 120.187 120.187 120.176 0.011 25852 13648 1 20 . 1 1 104 104 GLU HA H 104 3.904 3.904 4.188 -0.284 25852 13649 1 20 . 1 1 104 104 GLU CA C 104 56.563 56.563 58.381 -1.818 25852 13650 1 20 . 1 1 104 104 GLU CB C 104 26.400 26.400 29.546 -3.146 25852 13651 1 20 . 1 1 104 104 GLU H H 104 7.864 7.864 7.793 0.071 25852 13652 1 20 . 1 1 105 105 LEU N N 105 121.050 121.050 120.458 0.592 25852 13653 1 20 . 1 1 105 105 LEU HA H 105 3.892 3.892 4.217 -0.325 25852 13654 1 20 . 1 1 105 105 LEU CA C 105 55.732 55.732 57.990 -2.258 25852 13655 1 20 . 1 1 105 105 LEU CB C 105 39.340 39.340 42.199 -2.859 25852 13656 1 20 . 1 1 105 105 LEU H H 105 8.341 8.341 8.754 -0.413 25852 13657 1 20 . 1 1 106 106 ARG N N 106 118.494 118.494 119.048 -0.554 25852 13658 1 20 . 1 1 106 106 ARG HA H 106 3.904 3.904 4.037 -0.133 25852 13659 1 20 . 1 1 106 106 ARG CA C 106 55.724 55.724 58.870 -3.146 25852 13660 1 20 . 1 1 106 106 ARG CB C 106 29.945 29.945 29.094 0.851 25852 13661 1 20 . 1 1 106 106 ARG H H 106 8.852 8.852 7.696 1.156 25852 13662 1 20 . 1 1 107 107 HIS N N 107 118.921 118.921 119.170 -0.249 25852 13663 1 20 . 1 1 107 107 HIS HA H 107 3.876 3.876 4.418 -0.542 25852 13664 1 20 . 1 1 107 107 HIS CA C 107 56.807 56.807 59.263 -2.456 25852 13665 1 20 . 1 1 107 107 HIS CB C 107 27.198 27.198 30.158 -2.960 25852 13666 1 20 . 1 1 107 107 HIS H H 107 8.045 8.045 8.489 -0.444 25852 13667 1 20 . 1 1 108 108 VAL N N 108 118.991 118.991 120.799 -1.808 25852 13668 1 20 . 1 1 108 108 VAL HA H 108 3.385 3.385 3.511 -0.126 25852 13669 1 20 . 1 1 108 108 VAL CA C 108 64.285 64.285 66.085 -1.800 25852 13670 1 20 . 1 1 108 108 VAL CB C 108 28.908 28.908 31.153 -2.245 25852 13671 1 20 . 1 1 108 108 VAL H H 108 7.766 7.766 8.505 -0.739 25852 13672 1 20 . 1 1 109 109 MET N N 109 115.789 115.789 119.247 -3.458 25852 13673 1 20 . 1 1 109 109 MET HA H 109 4.139 4.139 3.961 0.178 25852 13674 1 20 . 1 1 109 109 MET CA C 109 54.461 54.461 59.908 -5.447 25852 13675 1 20 . 1 1 109 109 MET CB C 109 29.706 29.706 32.338 -2.632 25852 13676 1 20 . 1 1 109 109 MET H H 109 8.333 8.333 8.592 -0.259 25852 13677 1 20 . 1 1 110 110 THR N N 110 116.700 116.700 113.343 3.357 25852 13678 1 20 . 1 1 110 110 THR HA H 110 3.935 3.935 4.181 -0.246 25852 13679 1 20 . 1 1 110 110 THR CA C 110 63.845 63.845 65.457 -1.612 25852 13680 1 20 . 1 1 110 110 THR CB C 110 66.072 66.072 68.225 -2.153 25852 13681 1 20 . 1 1 110 110 THR H H 110 8.603 8.603 8.327 0.276 25852 13682 1 20 . 1 1 111 111 ASN N N 111 123.354 123.354 118.658 4.696 25852 13683 1 20 . 1 1 111 111 ASN HA H 111 4.242 4.242 4.526 -0.284 25852 13684 1 20 . 1 1 111 111 ASN CA C 111 53.093 53.093 55.399 -2.306 25852 13685 1 20 . 1 1 111 111 ASN CB C 111 35.292 35.292 38.618 -3.326 25852 13686 1 20 . 1 1 111 111 ASN H H 111 7.991 7.991 7.329 0.662 25852 13687 1 20 . 1 1 112 112 LEU N N 112 118.291 118.291 117.666 0.625 25852 13688 1 20 . 1 1 112 112 LEU HA H 112 4.182 4.182 4.172 0.010 25852 13689 1 20 . 1 1 112 112 LEU CA C 112 52.653 52.653 56.472 -3.819 25852 13690 1 20 . 1 1 112 112 LEU CB C 112 39.738 39.738 42.602 -2.864 25852 13691 1 20 . 1 1 112 112 LEU H H 112 7.754 7.754 8.036 -0.282 25852 13692 1 20 . 1 1 113 113 GLY N N 113 106.894 106.894 104.684 2.210 25852 13693 1 20 . 1 1 113 113 GLY CA C 113 42.536 42.536 44.589 -2.053 25852 13694 1 20 . 1 1 113 113 GLY H H 113 7.778 7.778 8.149 -0.371 25852 13695 1 20 . 1 1 114 114 GLU N N 114 119.776 119.776 121.368 -1.592 25852 13696 1 20 . 1 1 114 114 GLU HA H 114 4.267 4.267 4.488 -0.221 25852 13697 1 20 . 1 1 114 114 GLU CA C 114 52.067 52.067 55.236 -3.168 25852 13698 1 20 . 1 1 114 114 GLU CB C 114 26.616 26.616 32.191 -5.575 25852 13699 1 20 . 1 1 114 114 GLU H H 114 7.957 7.957 8.491 -0.534 25852 13700 1 20 . 1 1 115 115 LYS N N 115 124.429 124.429 121.313 3.116 25852 13701 1 20 . 1 1 115 115 LYS HA H 115 4.255 4.255 4.480 -0.225 25852 13702 1 20 . 1 1 115 115 LYS CA C 115 52.848 52.848 55.524 -2.676 25852 13703 1 20 . 1 1 115 115 LYS CB C 115 30.518 30.518 33.636 -3.118 25852 13704 1 20 . 1 1 115 115 LYS H H 115 8.591 8.591 8.390 0.201 25852 13705 1 20 . 1 1 116 116 LEU N N 116 124.724 124.724 125.319 -0.595 25852 13706 1 20 . 1 1 116 116 LEU HA H 116 4.690 4.690 4.807 -0.117 25852 13707 1 20 . 1 1 116 116 LEU CA C 116 51.089 51.089 54.024 -2.935 25852 13708 1 20 . 1 1 116 116 LEU CB C 116 42.588 42.588 45.067 -2.479 25852 13709 1 20 . 1 1 116 116 LEU H H 116 8.066 8.066 8.495 -0.429 25852 13710 1 20 . 1 1 117 117 THR N N 117 113.912 113.912 118.126 -4.214 25852 13711 1 20 . 1 1 117 117 THR HA H 117 4.302 4.302 4.361 -0.059 25852 13712 1 20 . 1 1 117 117 THR CA C 117 57.834 57.834 61.909 -4.075 25852 13713 1 20 . 1 1 117 117 THR CB C 117 68.580 68.580 70.649 -2.069 25852 13714 1 20 . 1 1 117 117 THR H H 117 9.165 9.165 8.949 0.216 25852 13715 1 20 . 1 1 118 118 ASP N N 118 120.787 120.787 120.546 0.241 25852 13716 1 20 . 1 1 118 118 ASP HA H 118 4.061 4.061 4.456 -0.395 25852 13717 1 20 . 1 1 118 118 ASP CA C 118 55.243 55.243 57.892 -2.649 25852 13718 1 20 . 1 1 118 118 ASP CB C 118 37.002 37.002 40.986 -3.984 25852 13719 1 20 . 1 1 118 118 ASP H H 118 8.860 8.860 8.768 0.092 25852 13720 1 20 . 1 1 119 119 GLU N N 119 119.091 119.091 117.535 1.556 25852 13721 1 20 . 1 1 119 119 GLU HA H 119 3.892 3.892 4.251 -0.359 25852 13722 1 20 . 1 1 119 119 GLU CA C 119 57.149 57.149 57.485 -0.336 25852 13723 1 20 . 1 1 119 119 GLU CB C 119 25.931 25.931 29.376 -3.445 25852 13724 1 20 . 1 1 119 119 GLU H H 119 8.618 8.618 8.518 0.100 25852 13725 1 20 . 1 1 120 120 GLU N N 120 120.037 120.037 117.642 2.395 25852 13726 1 20 . 1 1 120 120 GLU HA H 120 3.880 3.880 4.240 -0.360 25852 13727 1 20 . 1 1 120 120 GLU CA C 120 56.319 56.319 57.824 -1.505 25852 13728 1 20 . 1 1 120 120 GLU CB C 120 25.830 25.830 29.822 -3.992 25852 13729 1 20 . 1 1 120 120 GLU H H 120 7.659 7.659 8.528 -0.869 25852 13730 1 20 . 1 1 121 121 VAL N N 121 122.512 122.512 115.216 7.296 25852 13731 1 20 . 1 1 121 121 VAL HA H 121 3.385 3.385 3.943 -0.558 25852 13732 1 20 . 1 1 121 121 VAL CA C 121 64.090 64.090 63.977 0.113 25852 13733 1 20 . 1 1 121 121 VAL CB C 121 28.680 28.680 32.044 -3.364 25852 13734 1 20 . 1 1 121 121 VAL H H 121 7.887 7.887 7.187 0.700 25852 13735 1 20 . 1 1 122 122 ASP N N 122 119.993 119.993 118.953 1.040 25852 13736 1 20 . 1 1 122 122 ASP HA H 122 4.157 4.157 4.454 -0.297 25852 13737 1 20 . 1 1 122 122 ASP CA C 122 54.901 54.901 56.129 -1.228 25852 13738 1 20 . 1 1 122 122 ASP CB C 122 37.572 37.572 39.525 -1.953 25852 13739 1 20 . 1 1 122 122 ASP H H 122 7.973 7.973 8.412 -0.439 25852 13740 1 20 . 1 1 123 123 GLU N N 123 119.521 119.521 113.449 6.072 25852 13741 1 20 . 1 1 123 123 GLU HA H 123 3.880 3.880 4.443 -0.563 25852 13742 1 20 . 1 1 123 123 GLU CA C 123 56.612 56.612 56.893 -0.281 25852 13743 1 20 . 1 1 123 123 GLU CB C 123 26.172 26.172 30.586 -4.414 25852 13744 1 20 . 1 1 123 123 GLU H H 123 7.903 7.903 8.037 -0.134 25852 13745 1 20 . 1 1 124 124 MET N N 124 118.961 118.961 120.482 -1.521 25852 13746 1 20 . 1 1 124 124 MET HA H 124 3.892 3.892 4.265 -0.373 25852 13747 1 20 . 1 1 124 124 MET CA C 124 56.905 56.905 58.645 -1.740 25852 13748 1 20 . 1 1 124 124 MET CB C 124 29.250 29.250 33.026 -3.776 25852 13749 1 20 . 1 1 124 124 MET H H 124 7.496 7.496 7.559 -0.063 25852 13750 1 20 . 1 1 125 125 ILE N N 125 117.801 117.801 118.017 -0.216 25852 13751 1 20 . 1 1 125 125 ILE HA H 125 3.409 3.409 3.883 -0.474 25852 13752 1 20 . 1 1 125 125 ILE CA C 125 60.131 60.131 64.348 -4.217 25852 13753 1 20 . 1 1 125 125 ILE CB C 125 33.240 33.240 38.420 -5.181 25852 13754 1 20 . 1 1 125 125 ILE H H 125 7.762 7.762 7.523 0.239 25852 13755 1 20 . 1 1 126 126 ARG N N 126 117.729 117.729 118.300 -0.571 25852 13756 1 20 . 1 1 126 126 ARG HA H 126 3.883 3.883 3.957 -0.074 25852 13757 1 20 . 1 1 126 126 ARG CA C 126 56.673 56.673 59.370 -2.697 25852 13758 1 20 . 1 1 126 126 ARG CB C 126 29.478 29.478 30.010 -0.532 25852 13759 1 20 . 1 1 126 126 ARG H H 126 8.055 8.055 8.654 -0.599 25852 13760 1 20 . 1 1 127 127 GLU N N 127 117.539 117.539 117.024 0.515 25852 13761 1 20 . 1 1 127 127 GLU HA H 127 3.861 3.861 4.127 -0.266 25852 13762 1 20 . 1 1 127 127 GLU CA C 127 56.319 56.319 58.440 -2.121 25852 13763 1 20 . 1 1 127 127 GLU CB C 127 26.286 26.286 29.255 -2.969 25852 13764 1 20 . 1 1 127 127 GLU H H 127 7.700 7.700 7.695 0.005 25852 13765 1 20 . 1 1 128 128 ALA N N 128 116.677 116.677 120.080 -3.403 25852 13766 1 20 . 1 1 128 128 ALA HA H 128 4.500 4.500 4.472 0.028 25852 13767 1 20 . 1 1 128 128 ALA CA C 128 48.205 48.205 51.721 -3.516 25852 13768 1 20 . 1 1 128 128 ALA CB C 128 19.633 19.633 20.697 -1.064 25852 13769 1 20 . 1 1 128 128 ALA H H 128 7.223 7.223 7.628 -0.405 25852 13770 1 20 . 1 1 129 129 ASP N N 129 118.030 118.030 119.330 -1.300 25852 13771 1 20 . 1 1 129 129 ASP HA H 129 4.460 4.460 4.909 -0.449 25852 13772 1 20 . 1 1 129 129 ASP CA C 129 51.485 51.485 56.175 -4.689 25852 13773 1 20 . 1 1 129 129 ASP CB C 129 38.195 38.195 41.163 -2.968 25852 13774 1 20 . 1 1 129 129 ASP H H 129 7.895 7.895 8.416 -0.521 25852 13775 1 20 . 1 1 130 130 ILE N N 130 127.693 127.693 126.856 0.837 25852 13776 1 20 . 1 1 130 130 ILE HA H 130 3.797 3.797 4.046 -0.249 25852 13777 1 20 . 1 1 130 130 ILE CA C 130 60.522 60.522 63.618 -3.096 25852 13778 1 20 . 1 1 130 130 ILE CB C 130 36.090 36.090 38.664 -2.574 25852 13779 1 20 . 1 1 130 130 ILE H H 130 8.148 8.148 9.210 -1.062 25852 13780 1 20 . 1 1 131 131 ASP N N 131 116.409 116.409 118.023 -1.614 25852 13781 1 20 . 1 1 131 131 ASP HA H 131 4.376 4.376 4.652 -0.276 25852 13782 1 20 . 1 1 131 131 ASP CA C 131 51.187 51.187 54.829 -3.642 25852 13783 1 20 . 1 1 131 131 ASP CB C 131 37.468 37.468 42.344 -4.876 25852 13784 1 20 . 1 1 131 131 ASP H H 131 8.288 8.288 8.119 0.169 25852 13785 1 20 . 1 1 132 132 GLY N N 132 108.363 108.363 108.926 -0.563 25852 13786 1 20 . 1 1 132 132 GLY CA C 132 44.638 44.638 45.459 -0.821 25852 13787 1 20 . 1 1 132 132 GLY H H 132 7.630 7.630 7.756 -0.126 25852 13788 1 20 . 1 1 133 133 ASP N N 133 120.183 120.183 119.987 0.196 25852 13789 1 20 . 1 1 133 133 ASP HA H 133 4.329 4.329 4.559 -0.230 25852 13790 1 20 . 1 1 133 133 ASP CA C 133 50.942 50.942 55.200 -4.258 25852 13791 1 20 . 1 1 133 133 ASP CB C 133 37.458 37.458 41.864 -4.406 25852 13792 1 20 . 1 1 133 133 ASP H H 133 8.298 8.298 8.595 -0.297 25852 13793 1 20 . 1 1 134 134 GLY N N 134 112.149 112.149 108.714 3.435 25852 13794 1 20 . 1 1 134 134 GLY CA C 134 43.122 43.122 44.942 -1.820 25852 13795 1 20 . 1 1 134 134 GLY H H 134 10.079 10.079 7.999 2.080 25852 13796 1 20 . 1 1 135 135 GLN N N 135 115.069 115.069 117.870 -2.801 25852 13797 1 20 . 1 1 135 135 GLN HA H 135 4.844 4.844 4.551 0.293 25852 13798 1 20 . 1 1 135 135 GLN CA C 135 50.454 50.454 54.536 -4.082 25852 13799 1 20 . 1 1 135 135 GLN CB C 135 30.614 30.614 31.772 -1.158 25852 13800 1 20 . 1 1 135 135 GLN H H 135 7.922 7.922 7.718 0.204 25852 13801 1 20 . 1 1 136 136 VAL N N 136 125.107 125.107 126.564 -1.457 25852 13802 1 20 . 1 1 136 136 VAL HA H 136 5.096 5.096 4.787 0.309 25852 13803 1 20 . 1 1 136 136 VAL CA C 136 58.713 58.713 62.417 -3.704 25852 13804 1 20 . 1 1 136 136 VAL CB C 136 31.416 31.416 32.813 -1.397 25852 13805 1 20 . 1 1 136 136 VAL H H 136 9.046 9.046 8.365 0.681 25852 13806 1 20 . 1 1 137 137 ASN N N 137 128.858 128.858 125.282 3.576 25852 13807 1 20 . 1 1 137 137 ASN HA H 137 5.226 5.226 5.176 0.050 25852 13808 1 20 . 1 1 137 137 ASN CA C 137 48.352 48.352 52.566 -4.214 25852 13809 1 20 . 1 1 137 137 ASN CB C 137 35.640 35.640 40.400 -4.760 25852 13810 1 20 . 1 1 137 137 ASN H H 137 9.458 9.458 9.211 0.247 25852 13811 1 20 . 1 1 138 138 TYR N N 138 118.481 118.481 120.799 -2.318 25852 13812 1 20 . 1 1 138 138 TYR HA H 138 3.603 3.603 4.613 -1.010 25852 13813 1 20 . 1 1 138 138 TYR CA C 138 59.669 59.669 63.255 -3.586 25852 13814 1 20 . 1 1 138 138 TYR CB C 138 37.572 37.572 38.042 -0.470 25852 13815 1 20 . 1 1 138 138 TYR H H 138 8.235 8.235 9.059 -0.824 25852 13816 1 20 . 1 1 139 139 GLU N N 139 118.474 118.474 118.968 -0.494 25852 13817 1 20 . 1 1 139 139 GLU HA H 139 3.868 3.868 4.159 -0.291 25852 13818 1 20 . 1 1 139 139 GLU CA C 139 57.540 57.540 59.547 -2.007 25852 13819 1 20 . 1 1 139 139 GLU CB C 139 26.274 26.274 28.948 -2.674 25852 13820 1 20 . 1 1 139 139 GLU H H 139 8.067 8.067 9.121 -1.054 25852 13821 1 20 . 1 1 140 140 GLU N N 140 119.279 119.279 118.841 0.438 25852 13822 1 20 . 1 1 140 140 GLU HA H 140 3.880 3.880 4.253 -0.373 25852 13823 1 20 . 1 1 140 140 GLU CA C 140 56.025 56.025 58.566 -2.541 25852 13824 1 20 . 1 1 140 140 GLU CB C 140 26.274 26.274 29.801 -3.527 25852 13825 1 20 . 1 1 140 140 GLU H H 140 8.742 8.742 8.623 0.119 25852 13826 1 20 . 1 1 141 141 PHE N N 141 124.141 124.141 120.215 3.926 25852 13827 1 20 . 1 1 141 141 PHE HA H 141 3.602 3.602 4.248 -0.646 25852 13828 1 20 . 1 1 141 141 PHE CA C 141 59.447 59.447 60.579 -1.132 25852 13829 1 20 . 1 1 141 141 PHE CB C 141 37.686 37.686 39.408 -1.722 25852 13830 1 20 . 1 1 141 141 PHE H H 141 8.593 8.593 7.711 0.882 25852 13831 1 20 . 1 1 142 142 VAL N N 142 118.383 118.383 117.758 0.625 25852 13832 1 20 . 1 1 142 142 VAL HA H 142 2.986 2.986 3.649 -0.663 25852 13833 1 20 . 1 1 142 142 VAL CA C 142 64.432 64.432 65.443 -1.011 25852 13834 1 20 . 1 1 142 142 VAL CB C 142 28.908 28.908 32.039 -3.131 25852 13835 1 20 . 1 1 142 142 VAL H H 142 8.776 8.776 8.239 0.537 25852 13836 1 20 . 1 1 143 143 GLN N N 143 119.891 119.891 119.643 0.248 25852 13837 1 20 . 1 1 143 143 GLN HA H 143 3.671 3.671 4.107 -0.436 25852 13838 1 20 . 1 1 143 143 GLN CA C 143 56.514 56.514 58.384 -1.870 25852 13839 1 20 . 1 1 143 143 GLN CB C 143 25.246 25.246 28.661 -3.415 25852 13840 1 20 . 1 1 143 143 GLN H H 143 7.787 7.787 7.874 -0.087 25852 13841 1 20 . 1 1 144 144 MET N N 144 118.429 118.429 116.294 2.135 25852 13842 1 20 . 1 1 144 144 MET HA H 144 3.892 3.892 4.290 -0.398 25852 13843 1 20 . 1 1 144 144 MET CA C 144 55.683 55.683 56.185 -0.502 25852 13844 1 20 . 1 1 144 144 MET CB C 144 28.110 28.110 31.504 -3.394 25852 13845 1 20 . 1 1 144 144 MET H H 144 7.450 7.450 7.646 -0.196 25852 13846 1 20 . 1 1 145 145 MET N N 145 114.145 114.145 114.994 -0.849 25852 13847 1 20 . 1 1 145 145 MET HA H 145 3.905 3.905 4.519 -0.614 25852 13848 1 20 . 1 1 145 145 MET CA C 145 53.630 53.630 57.604 -3.974 25852 13849 1 20 . 1 1 145 145 MET CB C 145 29.592 29.592 33.214 -3.622 25852 13850 1 20 . 1 1 145 145 MET H H 145 7.724 7.724 7.771 -0.047 25852 13851 1 20 . 1 1 146 146 THR N N 146 108.482 108.482 112.460 -3.978 25852 13852 1 20 . 1 1 146 146 THR HA H 146 4.170 4.170 4.405 -0.235 25852 13853 1 20 . 1 1 146 146 THR CA C 146 59.251 59.251 62.333 -3.082 25852 13854 1 20 . 1 1 146 146 THR CB C 146 67.896 67.896 70.088 -2.192 25852 13855 1 20 . 1 1 146 146 THR H H 146 7.700 7.700 7.407 0.293 25852 13856 1 20 . 1 1 147 147 ALA N N 147 126.469 126.469 125.867 0.602 25852 13857 1 20 . 1 1 147 147 ALA HA H 147 4.095 4.095 3.997 0.098 25852 13858 1 20 . 1 1 147 147 ALA CA C 147 50.307 50.307 54.181 -3.874 25852 13859 1 20 . 1 1 147 147 ALA CB C 147 16.336 16.336 18.927 -2.591 25852 13860 1 20 . 1 1 147 147 ALA H H 147 7.291 7.291 8.695 -1.404 25852 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 143 2.540 0.024 2.548 25852 2 1 1 "Average Difference" HA 154 0.380 0.193 0.328 25852 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25852 4 1 1 "Average Difference" CA 143 2.717 2.374 1.326 25852 5 1 1 "Average Difference" CB 132 3.231 2.834 1.558 25852 6 1 1 "Average Difference" HN 143 0.638 -0.051 0.639 25852 7 1 2 "Average Difference" N 143 2.701 0.040 2.710 25852 8 1 2 "Average Difference" HA 154 0.375 0.183 0.328 25852 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25852 10 1 2 "Average Difference" CA 143 2.750 2.411 1.327 25852 11 1 2 "Average Difference" CB 132 3.143 2.752 1.523 25852 12 1 2 "Average Difference" HN 143 0.643 -0.065 0.642 25852 13 1 3 "Average Difference" N 143 2.601 -0.019 2.610 25852 14 1 3 "Average Difference" HA 154 0.392 0.184 0.347 25852 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25852 16 1 3 "Average Difference" CA 143 2.721 2.361 1.357 25852 17 1 3 "Average Difference" CB 132 3.254 2.822 1.625 25852 18 1 3 "Average Difference" HN 143 0.629 -0.057 0.628 25852 19 1 4 "Average Difference" N 143 2.652 -0.086 2.660 25852 20 1 4 "Average Difference" HA 154 0.385 0.217 0.320 25852 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25852 22 1 4 "Average Difference" CA 143 2.713 2.385 1.298 25852 23 1 4 "Average Difference" CB 132 3.250 2.834 1.597 25852 24 1 4 "Average Difference" HN 143 0.622 -0.061 0.621 25852 25 1 5 "Average Difference" N 143 2.519 0.025 2.528 25852 26 1 5 "Average Difference" HA 154 0.388 0.219 0.321 25852 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25852 28 1 5 "Average Difference" CA 143 2.666 2.325 1.309 25852 29 1 5 "Average Difference" CB 132 3.294 2.857 1.646 25852 30 1 5 "Average Difference" HN 143 0.614 -0.026 0.616 25852 31 1 6 "Average Difference" N 143 2.476 0.069 2.484 25852 32 1 6 "Average Difference" HA 154 0.371 0.195 0.316 25852 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25852 34 1 6 "Average Difference" CA 143 2.607 2.301 1.231 25852 35 1 6 "Average Difference" CB 132 3.229 2.833 1.554 25852 36 1 6 "Average Difference" HN 143 0.607 -0.018 0.608 25852 37 1 7 "Average Difference" N 143 2.665 -0.145 2.671 25852 38 1 7 "Average Difference" HA 154 0.390 0.209 0.330 25852 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25852 40 1 7 "Average Difference" CA 143 2.638 2.322 1.255 25852 41 1 7 "Average Difference" CB 132 3.233 2.817 1.592 25852 42 1 7 "Average Difference" HN 143 0.628 -0.099 0.622 25852 43 1 8 "Average Difference" N 143 2.556 0.071 2.564 25852 44 1 8 "Average Difference" HA 154 0.392 0.212 0.331 25852 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25852 46 1 8 "Average Difference" CA 143 2.637 2.317 1.265 25852 47 1 8 "Average Difference" CB 132 3.230 2.824 1.574 25852 48 1 8 "Average Difference" HN 143 0.647 -0.069 0.645 25852 49 1 9 "Average Difference" N 143 2.690 0.119 2.697 25852 50 1 9 "Average Difference" HA 154 0.403 0.201 0.351 25852 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25852 52 1 9 "Average Difference" CA 143 2.679 2.334 1.320 25852 53 1 9 "Average Difference" CB 132 3.223 2.813 1.579 25852 54 1 9 "Average Difference" HN 143 0.609 -0.030 0.611 25852 55 1 10 "Average Difference" N 143 2.494 0.074 2.502 25852 56 1 10 "Average Difference" HA 154 0.363 0.197 0.305 25852 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25852 58 1 10 "Average Difference" CA 143 2.669 2.335 1.297 25852 59 1 10 "Average Difference" CB 132 3.225 2.804 1.600 25852 60 1 10 "Average Difference" HN 143 0.608 -0.051 0.608 25852 61 1 11 "Average Difference" N 143 2.693 0.038 2.702 25852 62 1 11 "Average Difference" HA 154 0.382 0.207 0.323 25852 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25852 64 1 11 "Average Difference" CA 143 2.584 2.260 1.257 25852 65 1 11 "Average Difference" CB 132 3.285 2.876 1.594 25852 66 1 11 "Average Difference" HN 143 0.631 -0.056 0.631 25852 67 1 12 "Average Difference" N 143 2.582 0.144 2.587 25852 68 1 12 "Average Difference" HA 154 0.377 0.220 0.307 25852 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25852 70 1 12 "Average Difference" CA 143 2.615 2.289 1.269 25852 71 1 12 "Average Difference" CB 132 3.283 2.887 1.569 25852 72 1 12 "Average Difference" HN 143 0.617 -0.014 0.619 25852 73 1 13 "Average Difference" N 143 2.677 -0.106 2.684 25852 74 1 13 "Average Difference" HA 154 0.384 0.213 0.321 25852 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25852 76 1 13 "Average Difference" CA 143 2.587 2.282 1.224 25852 77 1 13 "Average Difference" CB 132 3.252 2.871 1.533 25852 78 1 13 "Average Difference" HN 143 0.624 -0.048 0.624 25852 79 1 14 "Average Difference" N 143 2.505 0.062 2.513 25852 80 1 14 "Average Difference" HA 154 0.370 0.205 0.310 25852 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25852 82 1 14 "Average Difference" CA 143 2.647 2.355 1.213 25852 83 1 14 "Average Difference" CB 132 3.240 2.828 1.587 25852 84 1 14 "Average Difference" HN 143 0.609 -0.048 0.609 25852 85 1 15 "Average Difference" N 143 2.712 0.018 2.722 25852 86 1 15 "Average Difference" HA 154 0.382 0.199 0.327 25852 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25852 88 1 15 "Average Difference" CA 143 2.689 2.352 1.309 25852 89 1 15 "Average Difference" CB 132 3.276 2.859 1.606 25852 90 1 15 "Average Difference" HN 143 0.641 -0.056 0.640 25852 91 1 16 "Average Difference" N 143 2.682 0.012 2.691 25852 92 1 16 "Average Difference" HA 154 0.402 0.207 0.345 25852 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25852 94 1 16 "Average Difference" CA 143 2.592 2.263 1.269 25852 95 1 16 "Average Difference" CB 132 3.201 2.777 1.597 25852 96 1 16 "Average Difference" HN 143 0.644 -0.070 0.643 25852 97 1 17 "Average Difference" N 143 2.563 0.143 2.568 25852 98 1 17 "Average Difference" HA 154 0.378 0.212 0.315 25852 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25852 100 1 17 "Average Difference" CA 143 2.639 2.340 1.224 25852 101 1 17 "Average Difference" CB 132 3.267 2.853 1.596 25852 102 1 17 "Average Difference" HN 143 0.626 -0.062 0.625 25852 103 1 18 "Average Difference" N 143 2.630 0.069 2.638 25852 104 1 18 "Average Difference" HA 154 0.369 0.202 0.309 25852 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25852 106 1 18 "Average Difference" CA 143 2.733 2.416 1.282 25852 107 1 18 "Average Difference" CB 132 3.273 2.866 1.588 25852 108 1 18 "Average Difference" HN 143 0.600 -0.071 0.598 25852 109 1 19 "Average Difference" N 143 2.597 0.113 2.604 25852 110 1 19 "Average Difference" HA 154 0.379 0.199 0.324 25852 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25852 112 1 19 "Average Difference" CA 143 2.722 2.374 1.337 25852 113 1 19 "Average Difference" CB 132 3.200 2.817 1.524 25852 114 1 19 "Average Difference" HN 143 0.619 -0.028 0.620 25852 115 1 20 "Average Difference" N 143 2.445 0.082 2.452 25852 116 1 20 "Average Difference" HA 154 0.386 0.218 0.320 25852 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25852 118 1 20 "Average Difference" CA 143 2.658 2.344 1.257 25852 119 1 20 "Average Difference" CB 132 3.226 2.840 1.535 25852 120 1 20 "Average Difference" HN 143 0.651 -0.069 0.650 25852 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 25852 _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 3 3 GLN N N 3 118.120 118.120 120.105 -1.985 25852 2 1 . 1 1 3 3 GLN HA H 3 4.688 4.688 4.497 0.191 25852 3 1 . 1 1 3 3 GLN CA C 3 53.500 53.500 55.697 -2.197 25852 4 1 . 1 1 3 3 GLN CB C 3 29.475 29.475 30.488 -1.013 25852 5 1 . 1 1 3 3 GLN H H 3 8.134 8.134 8.314 -0.180 25852 6 1 . 1 1 4 4 LEU N N 4 121.407 121.407 119.974 1.433 25852 7 1 . 1 1 4 4 LEU HA H 4 4.460 4.460 4.692 -0.232 25852 8 1 . 1 1 4 4 LEU CA C 4 51.650 51.650 54.221 -2.571 25852 9 1 . 1 1 4 4 LEU CB C 4 40.715 40.715 42.191 -1.476 25852 10 1 . 1 1 4 4 LEU H H 4 8.202 8.202 8.358 -0.156 25852 11 1 . 1 1 5 5 THR N N 5 112.733 112.733 110.170 2.563 25852 12 1 . 1 1 5 5 THR HA H 5 4.265 4.265 4.504 -0.239 25852 13 1 . 1 1 5 5 THR CA C 5 59.433 59.433 60.313 -0.880 25852 14 1 . 1 1 5 5 THR CB C 5 67.475 67.475 70.339 -2.864 25852 15 1 . 1 1 5 5 THR H H 5 8.691 8.691 7.785 0.906 25852 16 1 . 1 1 6 6 GLU N N 6 119.971 119.971 120.321 -0.350 25852 17 1 . 1 1 6 6 GLU HA H 6 3.854 3.854 3.949 -0.095 25852 18 1 . 1 1 6 6 GLU CA C 6 56.756 56.756 59.596 -2.840 25852 19 1 . 1 1 6 6 GLU CB C 6 26.508 26.508 29.337 -2.829 25852 20 1 . 1 1 6 6 GLU H H 6 8.953 8.953 8.853 0.100 25852 21 1 . 1 1 7 7 GLU N N 7 119.133 119.133 118.104 1.029 25852 22 1 . 1 1 7 7 GLU HA H 7 3.898 3.898 3.963 -0.065 25852 23 1 . 1 1 7 7 GLU CA C 7 56.756 56.756 59.035 -2.279 25852 24 1 . 1 1 7 7 GLU CB C 7 26.279 26.279 28.766 -2.487 25852 25 1 . 1 1 7 7 GLU H H 7 8.653 8.653 8.525 0.128 25852 26 1 . 1 1 8 8 GLN N N 8 120.207 120.207 118.853 1.354 25852 27 1 . 1 1 8 8 GLN HA H 8 3.957 3.957 4.184 -0.227 25852 28 1 . 1 1 8 8 GLN CA C 8 57.099 57.099 58.522 -1.423 25852 29 1 . 1 1 8 8 GLN CB C 8 26.737 26.737 28.624 -1.887 25852 30 1 . 1 1 8 8 GLN H H 8 7.645 7.645 7.708 -0.063 25852 31 1 . 1 1 9 9 ILE N N 9 118.171 118.171 119.981 -1.810 25852 32 1 . 1 1 9 9 ILE HA H 9 3.354 3.354 3.684 -0.330 25852 33 1 . 1 1 9 9 ILE CA C 9 62.714 62.714 63.620 -0.906 25852 34 1 . 1 1 9 9 ILE CB C 9 35.216 35.216 37.107 -1.891 25852 35 1 . 1 1 9 9 ILE H H 9 8.153 8.153 7.425 0.728 25852 36 1 . 1 1 10 10 ALA N N 10 120.124 120.124 120.591 -0.467 25852 37 1 . 1 1 10 10 ALA HA H 10 3.966 3.966 4.174 -0.208 25852 38 1 . 1 1 10 10 ALA CA C 10 52.746 52.746 54.769 -2.022 25852 39 1 . 1 1 10 10 ALA CB C 10 15.165 15.165 19.074 -3.909 25852 40 1 . 1 1 10 10 ALA H H 10 7.835 7.835 8.316 -0.481 25852 41 1 . 1 1 11 11 GLU N N 11 119.983 119.983 115.329 4.655 25852 42 1 . 1 1 11 11 GLU HA H 11 3.904 3.904 4.860 -0.956 25852 43 1 . 1 1 11 11 GLU CA C 11 56.560 56.560 56.796 -0.236 25852 44 1 . 1 1 11 11 GLU CB C 11 27.425 27.425 31.550 -4.125 25852 45 1 . 1 1 11 11 GLU H H 11 7.706 7.706 7.809 -0.103 25852 46 1 . 1 1 12 12 PHE N N 12 119.907 119.907 120.499 -0.592 25852 47 1 . 1 1 12 12 PHE HA H 12 4.726 4.726 4.521 0.205 25852 48 1 . 1 1 12 12 PHE CA C 12 55.839 55.839 60.272 -4.433 25852 49 1 . 1 1 12 12 PHE CB C 12 33.955 33.955 38.905 -4.950 25852 50 1 . 1 1 12 12 PHE H H 12 8.728 8.728 8.612 0.116 25852 51 1 . 1 1 13 13 LYS N N 13 121.208 121.208 119.786 1.422 25852 52 1 . 1 1 13 13 LYS HA H 13 3.904 3.904 3.810 0.094 25852 53 1 . 1 1 13 13 LYS CA C 13 57.290 57.290 58.934 -1.644 25852 54 1 . 1 1 13 13 LYS CB C 13 30.174 30.174 32.366 -2.192 25852 55 1 . 1 1 13 13 LYS H H 13 9.161 9.161 8.072 1.089 25852 56 1 . 1 1 14 14 GLU N N 14 120.226 120.226 120.580 -0.354 25852 57 1 . 1 1 14 14 GLU HA H 14 3.953 3.953 4.197 -0.243 25852 58 1 . 1 1 14 14 GLU CA C 14 56.460 56.460 58.721 -2.261 25852 59 1 . 1 1 14 14 GLU CB C 14 26.623 26.623 29.367 -2.744 25852 60 1 . 1 1 14 14 GLU H H 14 7.980 7.980 8.008 -0.028 25852 61 1 . 1 1 15 15 ALA N N 15 120.572 120.572 121.866 -1.294 25852 62 1 . 1 1 15 15 ALA HA H 15 4.170 4.170 4.160 0.010 25852 63 1 . 1 1 15 15 ALA CA C 15 52.750 52.750 54.780 -2.030 25852 64 1 . 1 1 15 15 ALA CB C 15 16.425 16.425 18.554 -2.129 25852 65 1 . 1 1 15 15 ALA H H 15 7.563 7.563 8.462 -0.899 25852 66 1 . 1 1 16 16 PHE N N 16 117.784 117.784 116.283 1.501 25852 67 1 . 1 1 16 16 PHE HA H 16 3.904 3.904 4.488 -0.584 25852 68 1 . 1 1 16 16 PHE CA C 16 59.540 59.540 59.632 -0.092 25852 69 1 . 1 1 16 16 PHE CB C 16 36.820 36.820 40.080 -3.260 25852 70 1 . 1 1 16 16 PHE H H 16 8.453 8.453 7.571 0.882 25852 71 1 . 1 1 17 17 SER N N 17 110.774 110.774 115.260 -4.486 25852 72 1 . 1 1 17 17 SER HA H 17 4.086 4.086 4.266 -0.180 25852 73 1 . 1 1 17 17 SER CA C 17 58.560 58.560 60.226 -1.666 25852 74 1 . 1 1 17 17 SER CB C 17 60.651 60.651 63.299 -2.648 25852 75 1 . 1 1 17 17 SER H H 17 8.351 8.351 8.035 0.316 25852 76 1 . 1 1 18 18 LEU N N 18 120.947 120.947 121.198 -0.251 25852 77 1 . 1 1 18 18 LEU HA H 18 3.614 3.614 4.064 -0.450 25852 78 1 . 1 1 18 18 LEU CA C 18 55.839 55.839 58.022 -2.183 25852 79 1 . 1 1 18 18 LEU CB C 18 39.111 39.111 42.612 -3.501 25852 80 1 . 1 1 18 18 LEU H H 18 7.278 7.278 8.370 -1.092 25852 81 1 . 1 1 19 19 PHE N N 19 114.458 114.458 113.508 0.949 25852 82 1 . 1 1 19 19 PHE HA H 19 3.904 3.904 4.531 -0.627 25852 83 1 . 1 1 19 19 PHE CA C 19 56.870 56.870 57.814 -0.944 25852 84 1 . 1 1 19 19 PHE CB C 19 33.841 33.841 41.613 -7.772 25852 85 1 . 1 1 19 19 PHE H H 19 7.304 7.304 7.566 -0.262 25852 86 1 . 1 1 20 20 ASP N N 20 122.233 122.233 121.888 0.345 25852 87 1 . 1 1 20 20 ASP HA H 20 4.874 4.874 4.694 0.180 25852 88 1 . 1 1 20 20 ASP CA C 20 50.454 50.454 53.504 -3.050 25852 89 1 . 1 1 20 20 ASP CB C 20 37.622 37.622 39.186 -1.564 25852 90 1 . 1 1 20 20 ASP H H 20 7.233 7.233 8.048 -0.815 25852 91 1 . 1 1 21 21 LYS N N 21 123.433 123.433 121.415 2.018 25852 92 1 . 1 1 21 21 LYS HA H 21 3.771 3.771 4.167 -0.396 25852 93 1 . 1 1 21 21 LYS CA C 21 56.025 56.025 57.746 -1.721 25852 94 1 . 1 1 21 21 LYS CB C 21 29.601 29.601 32.429 -2.828 25852 95 1 . 1 1 21 21 LYS H H 21 8.007 8.007 7.940 0.067 25852 96 1 . 1 1 22 22 ASP N N 22 116.890 116.890 119.395 -2.505 25852 97 1 . 1 1 22 22 ASP HA H 22 4.400 4.400 4.527 -0.127 25852 98 1 . 1 1 22 22 ASP CA C 22 50.683 50.683 54.682 -3.999 25852 99 1 . 1 1 22 22 ASP CB C 22 37.049 37.049 40.874 -3.825 25852 100 1 . 1 1 22 22 ASP H H 22 8.641 8.641 8.238 0.402 25852 101 1 . 1 1 23 23 GLY N N 23 110.068 110.068 107.086 2.982 25852 102 1 . 1 1 23 23 GLY CA C 23 43.745 43.745 45.273 -1.528 25852 103 1 . 1 1 23 23 GLY H H 23 7.938 7.938 8.135 -0.197 25852 104 1 . 1 1 24 24 ASP N N 24 120.219 120.219 120.035 0.184 25852 105 1 . 1 1 24 24 ASP HA H 24 4.367 4.367 4.755 -0.388 25852 106 1 . 1 1 24 24 ASP CA C 24 51.040 51.040 53.669 -2.629 25852 107 1 . 1 1 24 24 ASP CB C 24 37.438 37.438 41.014 -3.576 25852 108 1 . 1 1 24 24 ASP H H 24 8.723 8.723 8.170 0.553 25852 109 1 . 1 1 25 25 GLY N N 25 111.889 111.889 109.167 2.722 25852 110 1 . 1 1 25 25 GLY CA C 25 42.680 42.680 46.160 -3.480 25852 111 1 . 1 1 25 25 GLY H H 25 10.132 10.132 8.550 1.582 25852 112 1 . 1 1 26 26 THR N N 26 109.844 109.844 116.760 -6.916 25852 113 1 . 1 1 26 26 THR HA H 26 5.386 5.386 4.705 0.681 25852 114 1 . 1 1 26 26 THR CA C 26 56.950 56.950 60.529 -3.579 25852 115 1 . 1 1 26 26 THR CB C 26 70.234 70.234 71.383 -1.149 25852 116 1 . 1 1 26 26 THR H H 26 7.507 7.507 7.923 -0.416 25852 117 1 . 1 1 27 27 ILE N N 27 110.289 110.289 117.159 -6.870 25852 118 1 . 1 1 27 27 ILE HA H 27 3.891 3.891 4.567 -0.676 25852 119 1 . 1 1 27 27 ILE CA C 27 58.360 58.360 59.458 -1.098 25852 120 1 . 1 1 27 27 ILE CB C 27 35.559 35.559 39.944 -4.385 25852 121 1 . 1 1 27 27 ILE H H 27 8.191 8.191 8.379 -0.188 25852 122 1 . 1 1 28 28 THR N N 28 110.507 110.507 114.749 -4.242 25852 123 1 . 1 1 28 28 THR HA H 28 4.895 4.895 4.344 0.551 25852 124 1 . 1 1 28 28 THR CA C 28 57.787 57.787 62.336 -4.548 25852 125 1 . 1 1 28 28 THR CB C 28 68.099 68.099 69.553 -1.454 25852 126 1 . 1 1 28 28 THR H H 28 8.265 8.265 8.308 -0.043 25852 127 1 . 1 1 29 29 THR N N 29 112.331 112.331 115.486 -3.155 25852 128 1 . 1 1 29 29 THR HA H 29 3.941 3.941 4.028 -0.087 25852 129 1 . 1 1 29 29 THR CA C 29 63.840 63.840 65.492 -1.652 25852 130 1 . 1 1 29 29 THR CB C 29 65.807 65.807 68.721 -2.914 25852 131 1 . 1 1 29 29 THR H H 29 8.225 8.225 8.373 -0.148 25852 132 1 . 1 1 30 30 LYS N N 30 118.985 118.985 120.818 -1.833 25852 133 1 . 1 1 30 30 LYS HA H 30 3.965 3.965 4.014 -0.049 25852 134 1 . 1 1 30 30 LYS CA C 30 55.839 55.839 58.823 -2.984 25852 135 1 . 1 1 30 30 LYS CB C 30 29.372 29.372 32.022 -2.650 25852 136 1 . 1 1 30 30 LYS H H 30 7.559 7.559 8.591 -1.032 25852 137 1 . 1 1 31 31 GLU N N 31 117.233 117.233 115.003 2.230 25852 138 1 . 1 1 31 31 GLU HA H 31 3.965 3.965 4.151 -0.186 25852 139 1 . 1 1 31 31 GLU CA C 31 57.140 57.140 56.536 0.604 25852 140 1 . 1 1 31 31 GLU CB C 31 26.393 26.393 30.065 -3.671 25852 141 1 . 1 1 31 31 GLU H H 31 7.431 7.431 7.704 -0.273 25852 142 1 . 1 1 32 32 LEU N N 32 120.701 120.701 122.669 -1.968 25852 143 1 . 1 1 32 32 LEU HA H 32 3.880 3.880 3.824 0.056 25852 144 1 . 1 1 32 32 LEU CA C 32 55.520 55.520 57.955 -2.435 25852 145 1 . 1 1 32 32 LEU CB C 32 39.226 39.226 41.483 -2.257 25852 146 1 . 1 1 32 32 LEU H H 32 7.270 7.270 7.715 -0.445 25852 147 1 . 1 1 33 33 GLY N N 33 105.217 105.217 104.966 0.251 25852 148 1 . 1 1 33 33 GLY CA C 33 45.642 45.642 47.613 -1.971 25852 149 1 . 1 1 33 33 GLY H H 33 8.737 8.737 8.155 0.582 25852 150 1 . 1 1 34 34 THR N N 34 118.196 118.196 118.502 -0.306 25852 151 1 . 1 1 34 34 THR HA H 34 3.916 3.916 4.062 -0.146 25852 152 1 . 1 1 34 34 THR CA C 34 63.859 63.859 66.215 -2.356 25852 153 1 . 1 1 34 34 THR CB C 34 65.807 65.807 68.554 -2.747 25852 154 1 . 1 1 34 34 THR H H 34 7.446 7.446 7.358 0.088 25852 155 1 . 1 1 35 35 VAL N N 35 122.546 122.546 121.381 1.165 25852 156 1 . 1 1 35 35 VAL HA H 35 3.373 3.373 3.880 -0.507 25852 157 1 . 1 1 35 35 VAL CA C 35 64.088 64.088 65.358 -1.270 25852 158 1 . 1 1 35 35 VAL CB C 35 28.799 28.799 30.805 -2.006 25852 159 1 . 1 1 35 35 VAL H H 35 7.889 7.889 7.478 0.411 25852 160 1 . 1 1 36 36 MET N N 36 118.307 118.307 118.041 0.266 25852 161 1 . 1 1 36 36 MET HA H 36 3.880 3.880 4.229 -0.349 25852 162 1 . 1 1 36 36 MET CA C 36 56.870 56.870 58.221 -1.352 25852 163 1 . 1 1 36 36 MET CB C 36 26.279 26.279 32.666 -6.387 25852 164 1 . 1 1 36 36 MET H H 36 8.386 8.386 8.008 0.378 25852 165 1 . 1 1 37 37 ARG N N 37 119.233 119.233 118.994 0.239 25852 166 1 . 1 1 37 37 ARG HA H 37 3.904 3.904 4.488 -0.584 25852 167 1 . 1 1 37 37 ARG CA C 37 56.170 56.170 58.544 -2.374 25852 168 1 . 1 1 37 37 ARG CB C 37 27.310 27.310 30.230 -2.920 25852 169 1 . 1 1 37 37 ARG H H 37 8.451 8.451 8.323 0.128 25852 170 1 . 1 1 38 38 SER N N 38 118.720 118.720 116.845 1.875 25852 171 1 . 1 1 38 38 SER HA H 38 4.176 4.176 4.301 -0.125 25852 172 1 . 1 1 38 38 SER CA C 38 59.250 59.250 61.099 -1.849 25852 173 1 . 1 1 38 38 SER CB C 38 67.411 67.411 62.869 4.542 25852 174 1 . 1 1 38 38 SER H H 38 8.040 8.040 8.291 -0.251 25852 175 1 . 1 1 39 39 LEU N N 39 120.896 120.896 119.569 1.327 25852 176 1 . 1 1 39 39 LEU HA H 39 4.460 4.460 4.455 0.005 25852 177 1 . 1 1 39 39 LEU CA C 39 51.330 51.330 54.973 -3.643 25852 178 1 . 1 1 39 39 LEU CB C 39 40.257 40.257 42.242 -1.985 25852 179 1 . 1 1 39 39 LEU H H 39 7.263 7.263 7.401 -0.138 25852 180 1 . 1 1 40 40 GLY N N 40 106.917 106.917 106.546 0.371 25852 181 1 . 1 1 40 40 GLY CA C 40 42.880 42.880 44.617 -1.737 25852 182 1 . 1 1 40 40 GLY H H 40 7.841 7.841 7.954 -0.113 25852 183 1 . 1 1 41 41 GLN N N 41 117.171 117.171 120.079 -2.908 25852 184 1 . 1 1 41 41 GLN HA H 41 4.243 4.243 4.291 -0.048 25852 185 1 . 1 1 41 41 GLN CA C 41 52.631 52.631 55.567 -2.936 25852 186 1 . 1 1 41 41 GLN CB C 41 30.747 30.747 29.720 1.027 25852 187 1 . 1 1 41 41 GLN H H 41 7.687 7.687 7.705 -0.018 25852 188 1 . 1 1 42 42 ASN N N 42 116.423 116.423 121.284 -4.861 25852 189 1 . 1 1 42 42 ASN HA H 42 5.016 5.016 5.014 0.002 25852 190 1 . 1 1 42 42 ASN CA C 42 48.640 48.640 50.621 -1.980 25852 191 1 . 1 1 42 42 ASN CB C 42 36.591 36.591 39.033 -2.442 25852 192 1 . 1 1 42 42 ASN H H 42 8.601 8.601 8.695 -0.094 25852 193 1 . 1 1 44 44 THR N N 44 113.033 113.033 114.991 -1.958 25852 194 1 . 1 1 44 44 THR HA H 44 4.279 4.279 4.546 -0.267 25852 195 1 . 1 1 44 44 THR CA C 44 57.640 57.640 60.490 -2.850 25852 196 1 . 1 1 44 44 THR CB C 44 68.328 68.328 70.811 -2.483 25852 197 1 . 1 1 44 44 THR H H 44 8.711 8.711 8.127 0.584 25852 198 1 . 1 1 45 45 GLU N N 45 120.233 120.233 121.902 -1.669 25852 199 1 . 1 1 45 45 GLU HA H 45 3.892 3.892 4.203 -0.311 25852 200 1 . 1 1 45 45 GLU CA C 45 56.756 56.756 58.757 -2.001 25852 201 1 . 1 1 45 45 GLU CB C 45 26.393 26.393 29.522 -3.129 25852 202 1 . 1 1 45 45 GLU H H 45 8.781 8.781 8.907 -0.126 25852 203 1 . 1 1 46 46 ALA N N 46 120.833 120.833 122.489 -1.656 25852 204 1 . 1 1 46 46 ALA HA H 46 3.868 3.868 4.250 -0.382 25852 205 1 . 1 1 46 46 ALA CA C 46 52.310 52.310 54.686 -2.376 25852 206 1 . 1 1 46 46 ALA CB C 46 15.394 15.394 18.376 -2.982 25852 207 1 . 1 1 46 46 ALA H H 46 8.251 8.251 7.968 0.283 25852 208 1 . 1 1 47 47 GLU N N 47 118.672 118.672 118.030 0.642 25852 209 1 . 1 1 47 47 GLU HA H 47 3.965 3.965 4.240 -0.275 25852 210 1 . 1 1 47 47 GLU CA C 47 56.641 56.641 58.579 -1.938 25852 211 1 . 1 1 47 47 GLU CB C 47 26.623 26.623 29.483 -2.860 25852 212 1 . 1 1 47 47 GLU H H 47 7.668 7.668 8.504 -0.836 25852 213 1 . 1 1 48 48 LEU N N 48 119.645 119.645 119.353 0.292 25852 214 1 . 1 1 48 48 LEU HA H 48 3.892 3.892 4.143 -0.251 25852 215 1 . 1 1 48 48 LEU CA C 48 55.610 55.610 57.700 -2.090 25852 216 1 . 1 1 48 48 LEU CB C 48 39.340 39.340 41.433 -2.093 25852 217 1 . 1 1 48 48 LEU H H 48 8.244 8.244 7.644 0.600 25852 218 1 . 1 1 49 49 GLN N N 49 117.446 117.446 117.200 0.246 25852 219 1 . 1 1 49 49 GLN HA H 49 3.892 3.892 4.251 -0.359 25852 220 1 . 1 1 49 49 GLN CA C 49 56.756 56.756 57.887 -1.131 25852 221 1 . 1 1 49 49 GLN CB C 49 26.508 26.508 28.808 -2.300 25852 222 1 . 1 1 49 49 GLN H H 49 7.980 7.980 7.766 0.214 25852 223 1 . 1 1 50 50 ASP N N 50 118.733 118.733 120.671 -1.938 25852 224 1 . 1 1 50 50 ASP HA H 50 4.267 4.267 4.560 -0.293 25852 225 1 . 1 1 50 50 ASP CA C 50 54.700 54.700 56.888 -2.188 25852 226 1 . 1 1 50 50 ASP CB C 50 37.622 37.622 41.186 -3.564 25852 227 1 . 1 1 50 50 ASP H H 50 7.761 7.761 7.671 0.090 25852 228 1 . 1 1 51 51 MET N N 51 118.996 118.996 118.435 0.561 25852 229 1 . 1 1 51 51 MET HA H 51 3.892 3.892 4.509 -0.617 25852 230 1 . 1 1 51 51 MET CA C 51 56.560 56.560 57.536 -0.976 25852 231 1 . 1 1 51 51 MET CB C 51 29.601 29.601 33.006 -3.405 25852 232 1 . 1 1 51 51 MET H H 51 7.900 7.900 8.306 -0.406 25852 233 1 . 1 1 52 52 ILE N N 52 118.833 118.833 119.756 -0.923 25852 234 1 . 1 1 52 52 ILE HA H 52 3.348 3.348 3.784 -0.436 25852 235 1 . 1 1 52 52 ILE CA C 52 62.484 62.484 63.843 -1.359 25852 236 1 . 1 1 52 52 ILE CB C 52 35.330 35.330 37.305 -1.975 25852 237 1 . 1 1 52 52 ILE H H 52 8.261 8.261 7.720 0.541 25852 238 1 . 1 1 53 53 ASN N N 53 117.296 117.296 116.368 0.928 25852 239 1 . 1 1 53 53 ASN HA H 53 4.243 4.243 4.476 -0.234 25852 240 1 . 1 1 53 53 ASN CA C 53 53.090 53.090 55.891 -2.801 25852 241 1 . 1 1 53 53 ASN CB C 53 35.330 35.330 38.880 -3.550 25852 242 1 . 1 1 53 53 ASN H H 53 8.186 8.186 7.807 0.379 25852 243 1 . 1 1 54 54 GLU N N 54 117.133 117.133 117.963 -0.830 25852 244 1 . 1 1 54 54 GLU HA H 54 3.965 3.965 4.237 -0.272 25852 245 1 . 1 1 54 54 GLU CA C 54 56.412 56.412 58.198 -1.786 25852 246 1 . 1 1 54 54 GLU CB C 54 26.508 26.508 30.275 -3.767 25852 247 1 . 1 1 54 54 GLU H H 54 7.501 7.501 7.630 -0.129 25852 248 1 . 1 1 55 55 VAL N N 55 112.928 112.928 119.194 -6.266 25852 249 1 . 1 1 55 55 VAL HA H 55 4.194 4.194 3.975 0.219 25852 250 1 . 1 1 55 55 VAL CA C 55 59.505 59.505 65.364 -5.859 25852 251 1 . 1 1 55 55 VAL CB C 55 30.174 30.174 32.291 -2.117 25852 252 1 . 1 1 55 55 VAL H H 55 7.575 7.575 8.282 -0.707 25852 253 1 . 1 1 56 56 ASP N N 56 121.771 121.771 119.978 1.793 25852 254 1 . 1 1 56 56 ASP HA H 56 4.388 4.388 4.509 -0.121 25852 255 1 . 1 1 56 56 ASP CA C 56 50.990 50.990 54.279 -3.289 25852 256 1 . 1 1 56 56 ASP CB C 56 36.820 36.820 39.610 -2.790 25852 257 1 . 1 1 56 56 ASP H H 56 8.401 8.401 8.000 0.401 25852 258 1 . 1 1 57 57 ALA N N 57 124.771 124.771 121.048 3.723 25852 259 1 . 1 1 57 57 ALA HA H 57 4.001 4.001 4.280 -0.279 25852 260 1 . 1 1 57 57 ALA CA C 57 52.402 52.402 53.445 -1.042 25852 261 1 . 1 1 57 57 ALA CB C 57 15.280 15.280 19.198 -3.918 25852 262 1 . 1 1 57 57 ALA H H 57 8.097 8.097 8.049 0.048 25852 263 1 . 1 1 58 58 ASP N N 58 114.518 114.518 119.260 -4.742 25852 264 1 . 1 1 58 58 ASP HA H 58 4.400 4.400 4.627 -0.227 25852 265 1 . 1 1 58 58 ASP CA C 58 50.798 50.798 54.349 -3.551 25852 266 1 . 1 1 58 58 ASP CB C 58 36.934 36.934 41.801 -4.867 25852 267 1 . 1 1 58 58 ASP H H 58 8.376 8.376 7.855 0.521 25852 268 1 . 1 1 59 59 GLY N N 59 108.798 108.798 107.731 1.067 25852 269 1 . 1 1 59 59 GLY CA C 59 44.490 44.490 45.480 -0.990 25852 270 1 . 1 1 59 59 GLY H H 59 7.827 7.827 8.557 -0.730 25852 271 1 . 1 1 60 60 ASN N N 60 119.696 119.696 118.056 1.639 25852 272 1 . 1 1 60 60 ASN HA H 60 4.688 4.688 4.748 -0.060 25852 273 1 . 1 1 60 60 ASN CA C 60 51.943 51.943 53.044 -1.101 25852 274 1 . 1 1 60 60 ASN CB C 60 38.424 38.424 39.405 -0.981 25852 275 1 . 1 1 60 60 ASN H H 60 9.253 9.253 8.307 0.946 25852 276 1 . 1 1 61 61 GLY N N 61 110.108 110.108 109.450 0.658 25852 277 1 . 1 1 61 61 GLY CA C 61 42.870 42.870 45.898 -3.028 25852 278 1 . 1 1 61 61 GLY H H 61 10.004 10.004 8.373 1.631 25852 279 1 . 1 1 62 62 THR N N 62 110.533 110.533 112.185 -1.652 25852 280 1 . 1 1 62 62 THR HA H 62 4.629 4.629 4.852 -0.223 25852 281 1 . 1 1 62 62 THR CA C 62 59.162 59.162 60.421 -1.259 25852 282 1 . 1 1 62 62 THR CB C 62 67.526 67.526 72.592 -5.066 25852 283 1 . 1 1 62 62 THR H H 62 7.481 7.481 7.441 0.040 25852 284 1 . 1 1 63 63 ILE N N 63 118.533 118.533 122.436 -3.903 25852 285 1 . 1 1 63 63 ILE HA H 63 3.783 3.783 4.301 -0.518 25852 286 1 . 1 1 63 63 ILE CA C 63 60.537 60.537 59.418 1.119 25852 287 1 . 1 1 63 63 ILE CB C 63 36.018 36.018 39.804 -3.787 25852 288 1 . 1 1 63 63 ILE H H 63 8.820 8.820 8.721 0.099 25852 289 1 . 1 1 64 64 ASP N N 64 122.928 122.928 126.062 -3.134 25852 290 1 . 1 1 64 64 ASP HA H 64 4.327 4.327 4.765 -0.438 25852 291 1 . 1 1 64 64 ASP CA C 64 51.027 51.027 54.957 -3.930 25852 292 1 . 1 1 64 64 ASP CB C 64 37.278 37.278 42.381 -5.103 25852 293 1 . 1 1 64 64 ASP H H 64 8.380 8.380 8.542 -0.162 25852 294 1 . 1 1 65 65 PHE N N 65 118.559 118.559 117.970 0.589 25852 295 1 . 1 1 65 65 PHE HA H 65 3.880 3.880 4.764 -0.884 25852 296 1 . 1 1 65 65 PHE CA C 65 56.870 56.870 60.517 -3.647 25852 297 1 . 1 1 65 65 PHE CB C 65 33.497 33.497 36.393 -2.896 25852 298 1 . 1 1 65 65 PHE H H 65 8.559 8.559 8.426 0.133 25852 299 1 . 1 1 67 67 GLU N N 67 117.546 117.546 115.135 2.411 25852 300 1 . 1 1 67 67 GLU HA H 67 3.904 3.904 4.277 -0.373 25852 301 1 . 1 1 67 67 GLU CA C 67 56.870 56.870 57.378 -0.508 25852 302 1 . 1 1 67 67 GLU CB C 67 26.623 26.623 29.972 -3.349 25852 303 1 . 1 1 67 67 GLU H H 67 7.995 7.995 8.255 -0.261 25852 304 1 . 1 1 68 68 PHE N N 68 122.032 122.032 119.451 2.581 25852 305 1 . 1 1 68 68 PHE HA H 68 3.904 3.904 4.463 -0.559 25852 306 1 . 1 1 68 68 PHE CA C 68 59.047 59.047 60.030 -0.983 25852 307 1 . 1 1 68 68 PHE CB C 68 36.934 36.934 39.117 -2.183 25852 308 1 . 1 1 68 68 PHE H H 68 8.377 8.377 7.570 0.807 25852 309 1 . 1 1 69 69 LEU N N 69 118.488 118.488 119.788 -1.300 25852 310 1 . 1 1 69 69 LEU HA H 69 3.179 3.179 3.891 -0.712 25852 311 1 . 1 1 69 69 LEU CA C 69 55.158 55.158 57.955 -2.797 25852 312 1 . 1 1 69 69 LEU CB C 69 38.195 38.195 41.399 -3.204 25852 313 1 . 1 1 69 69 LEU H H 69 8.393 8.393 7.555 0.838 25852 314 1 . 1 1 70 70 THR N N 70 115.208 115.208 114.663 0.545 25852 315 1 . 1 1 70 70 THR HA H 70 3.638 3.638 3.875 -0.237 25852 316 1 . 1 1 70 70 THR CA C 70 63.630 63.630 66.392 -2.762 25852 317 1 . 1 1 70 70 THR CB C 70 65.578 65.578 68.337 -2.759 25852 318 1 . 1 1 70 70 THR H H 70 7.658 7.658 8.127 -0.469 25852 319 1 . 1 1 71 71 MET N N 71 121.221 121.221 119.064 2.157 25852 320 1 . 1 1 71 71 MET HA H 71 3.892 3.892 4.242 -0.350 25852 321 1 . 1 1 71 71 MET CA C 71 56.303 56.303 58.384 -2.081 25852 322 1 . 1 1 71 71 MET CB C 71 29.831 29.831 32.087 -2.256 25852 323 1 . 1 1 71 71 MET H H 71 7.653 7.653 7.405 0.248 25852 324 1 . 1 1 72 72 MET N N 72 117.459 117.459 117.540 -0.081 25852 325 1 . 1 1 72 72 MET HA H 72 3.892 3.892 4.347 -0.455 25852 326 1 . 1 1 72 72 MET CA C 72 53.777 53.777 57.407 -3.630 25852 327 1 . 1 1 72 72 MET CB C 72 29.029 29.029 32.446 -3.417 25852 328 1 . 1 1 72 72 MET H H 72 7.956 7.956 7.560 0.396 25852 329 1 . 1 1 73 73 ALA N N 73 120.856 120.856 121.523 -0.667 25852 330 1 . 1 1 73 73 ALA HA H 73 3.868 3.868 4.185 -0.317 25852 331 1 . 1 1 73 73 ALA CA C 73 52.402 52.402 54.554 -2.152 25852 332 1 . 1 1 73 73 ALA CB C 73 15.280 15.280 18.991 -3.711 25852 333 1 . 1 1 73 73 ALA H H 73 8.230 8.230 8.218 0.012 25852 334 1 . 1 1 74 74 ARG N N 74 116.530 116.530 116.564 -0.034 25852 335 1 . 1 1 74 74 ARG HA H 74 3.892 3.892 4.269 -0.377 25852 336 1 . 1 1 74 74 ARG CA C 74 56.297 56.297 58.124 -1.827 25852 337 1 . 1 1 74 74 ARG CB C 74 27.997 27.997 29.901 -1.904 25852 338 1 . 1 1 74 74 ARG H H 74 7.409 7.409 7.903 -0.494 25852 339 1 . 1 1 75 75 LYS N N 75 118.008 118.008 119.168 -1.160 25852 340 1 . 1 1 75 75 LYS HA H 75 3.965 3.965 4.196 -0.231 25852 341 1 . 1 1 75 75 LYS CA C 75 55.495 55.495 58.554 -3.058 25852 342 1 . 1 1 75 75 LYS CB C 75 26.279 26.279 32.382 -6.103 25852 343 1 . 1 1 75 75 LYS H H 75 7.657 7.657 7.786 -0.129 25852 344 1 . 1 1 76 76 MET N N 76 117.646 117.646 112.930 4.716 25852 345 1 . 1 1 76 76 MET HA H 76 4.146 4.146 4.737 -0.591 25852 346 1 . 1 1 76 76 MET CA C 76 53.947 53.947 56.778 -2.831 25852 347 1 . 1 1 76 76 MET CB C 76 29.487 29.487 34.505 -5.018 25852 348 1 . 1 1 76 76 MET H H 76 7.883 7.883 7.402 0.481 25852 349 1 . 1 1 77 77 LYS N N 77 120.334 120.334 119.472 0.862 25852 350 1 . 1 1 77 77 LYS HA H 77 3.941 3.941 4.166 -0.225 25852 351 1 . 1 1 77 77 LYS CA C 77 56.526 56.526 58.572 -2.046 25852 352 1 . 1 1 77 77 LYS CB C 77 27.425 27.425 32.587 -5.162 25852 353 1 . 1 1 77 77 LYS H H 77 7.658 7.658 7.931 -0.273 25852 354 1 . 1 1 78 78 ASP N N 78 121.733 121.733 116.720 5.013 25852 355 1 . 1 1 78 78 ASP HA H 78 4.194 4.194 4.720 -0.526 25852 356 1 . 1 1 78 78 ASP CA C 78 52.516 52.516 55.441 -2.925 25852 357 1 . 1 1 78 78 ASP CB C 78 40.028 40.028 41.702 -1.674 25852 358 1 . 1 1 78 78 ASP H H 78 8.212 8.212 7.874 0.338 25852 359 1 . 1 1 79 79 THR N N 79 114.651 114.651 116.089 -1.438 25852 360 1 . 1 1 79 79 THR HA H 79 4.170 4.170 4.226 -0.056 25852 361 1 . 1 1 79 79 THR CA C 79 59.391 59.391 62.866 -3.475 25852 362 1 . 1 1 79 79 THR CB C 79 67.067 67.067 68.577 -1.510 25852 363 1 . 1 1 79 79 THR H H 79 8.048 8.048 7.930 0.118 25852 364 1 . 1 1 80 80 ASP N N 80 122.484 122.484 122.873 -0.389 25852 365 1 . 1 1 80 80 ASP HA H 80 4.363 4.363 4.501 -0.138 25852 366 1 . 1 1 80 80 ASP CA C 80 50.850 50.850 55.044 -4.194 25852 367 1 . 1 1 80 80 ASP CB C 80 36.705 36.705 41.846 -5.141 25852 368 1 . 1 1 80 80 ASP H H 80 8.432 8.432 8.116 0.316 25852 369 1 . 1 1 81 81 SER N N 81 117.135 117.135 117.358 -0.223 25852 370 1 . 1 1 81 81 SER HA H 81 4.267 4.267 4.480 -0.213 25852 371 1 . 1 1 81 81 SER CA C 81 56.870 56.870 60.172 -3.302 25852 372 1 . 1 1 81 81 SER CB C 81 60.884 60.884 63.617 -2.733 25852 373 1 . 1 1 81 81 SER H H 81 8.403 8.403 8.658 -0.255 25852 374 1 . 1 1 82 82 GLU N N 82 121.723 121.723 121.252 0.471 25852 375 1 . 1 1 82 82 GLU HA H 82 3.883 3.883 4.285 -0.402 25852 376 1 . 1 1 82 82 GLU CA C 82 56.707 56.707 58.720 -2.013 25852 377 1 . 1 1 82 82 GLU CB C 82 29.831 29.831 29.445 0.386 25852 378 1 . 1 1 82 82 GLU H H 82 8.443 8.443 8.270 0.173 25852 379 1 . 1 1 83 83 GLU N N 83 119.259 119.259 118.495 0.764 25852 380 1 . 1 1 83 83 GLU HA H 83 3.883 3.883 4.139 -0.256 25852 381 1 . 1 1 83 83 GLU CA C 83 56.606 56.606 58.627 -2.021 25852 382 1 . 1 1 83 83 GLU CB C 83 29.364 29.364 29.159 0.205 25852 383 1 . 1 1 83 83 GLU H H 83 8.118 8.118 8.636 -0.518 25852 384 1 . 1 1 84 84 GLU N N 84 118.060 118.060 118.160 -0.100 25852 385 1 . 1 1 84 84 GLU HA H 84 3.871 3.871 4.418 -0.547 25852 386 1 . 1 1 84 84 GLU CA C 84 56.606 56.606 58.535 -1.929 25852 387 1 . 1 1 84 84 GLU CB C 84 25.817 25.817 29.503 -3.685 25852 388 1 . 1 1 84 84 GLU H H 84 8.212 8.212 7.840 0.372 25852 389 1 . 1 1 85 85 ILE N N 85 120.736 120.736 117.845 2.891 25852 390 1 . 1 1 85 85 ILE HA H 85 3.678 3.678 4.082 -0.404 25852 391 1 . 1 1 85 85 ILE CA C 85 62.484 62.484 64.323 -1.839 25852 392 1 . 1 1 85 85 ILE CB C 85 35.445 35.445 38.560 -3.115 25852 393 1 . 1 1 85 85 ILE H H 85 7.964 7.964 7.354 0.610 25852 394 1 . 1 1 86 86 ARG N N 86 121.452 121.452 119.903 1.549 25852 395 1 . 1 1 86 86 ARG HA H 86 3.989 3.989 4.199 -0.210 25852 396 1 . 1 1 86 86 ARG CA C 86 56.985 56.985 59.061 -2.076 25852 397 1 . 1 1 86 86 ARG CB C 86 26.856 26.856 29.488 -2.632 25852 398 1 . 1 1 86 86 ARG H H 86 8.351 8.351 8.056 0.295 25852 399 1 . 1 1 87 87 GLU N N 87 118.288 118.288 119.264 -0.976 25852 400 1 . 1 1 87 87 GLU HA H 87 3.861 3.861 4.270 -0.409 25852 401 1 . 1 1 87 87 GLU CA C 87 56.606 56.606 58.510 -1.904 25852 402 1 . 1 1 87 87 GLU CB C 87 25.817 25.817 29.351 -3.534 25852 403 1 . 1 1 87 87 GLU H H 87 8.238 8.238 8.059 0.179 25852 404 1 . 1 1 88 88 ALA N N 88 120.408 120.408 121.977 -1.569 25852 405 1 . 1 1 88 88 ALA HA H 88 4.013 4.013 4.224 -0.211 25852 406 1 . 1 1 88 88 ALA CA C 88 52.263 52.263 54.707 -2.444 25852 407 1 . 1 1 88 88 ALA CB C 88 15.080 15.080 18.375 -3.295 25852 408 1 . 1 1 88 88 ALA H H 88 7.960 7.960 8.241 -0.281 25852 409 1 . 1 1 89 89 PHE N N 89 118.123 118.123 116.784 1.339 25852 410 1 . 1 1 89 89 PHE HA H 89 3.058 3.058 4.230 -1.172 25852 411 1 . 1 1 89 89 PHE CA C 89 59.703 59.703 59.725 -0.022 25852 412 1 . 1 1 89 89 PHE CB C 89 36.774 36.774 38.971 -2.197 25852 413 1 . 1 1 89 89 PHE H H 89 8.498 8.498 7.527 0.971 25852 414 1 . 1 1 90 90 ARG N N 90 116.002 116.002 118.583 -2.581 25852 415 1 . 1 1 90 90 ARG HA H 90 3.892 3.892 3.977 -0.085 25852 416 1 . 1 1 90 90 ARG CA C 90 56.168 56.168 57.463 -1.295 25852 417 1 . 1 1 90 90 ARG CB C 90 27.654 27.654 30.120 -2.466 25852 418 1 . 1 1 90 90 ARG H H 90 7.860 7.860 7.596 0.264 25852 419 1 . 1 1 91 91 VAL N N 91 118.008 118.008 118.275 -0.267 25852 420 1 . 1 1 91 91 VAL HA H 91 3.243 3.243 3.854 -0.611 25852 421 1 . 1 1 91 91 VAL CA C 91 63.357 63.357 65.260 -1.903 25852 422 1 . 1 1 91 91 VAL CB C 91 28.444 28.444 32.399 -3.955 25852 423 1 . 1 1 91 91 VAL H H 91 7.300 7.300 7.654 -0.354 25852 424 1 . 1 1 92 92 PHE N N 92 113.024 113.024 115.476 -2.452 25852 425 1 . 1 1 92 92 PHE HA H 92 3.967 3.967 4.383 -0.416 25852 426 1 . 1 1 92 92 PHE CA C 92 57.558 57.558 59.204 -1.646 25852 427 1 . 1 1 92 92 PHE CB C 92 38.838 38.838 40.643 -1.805 25852 428 1 . 1 1 92 92 PHE H H 92 6.805 6.805 7.872 -1.067 25852 429 1 . 1 1 93 93 ASP N N 93 116.393 116.393 119.926 -3.533 25852 430 1 . 1 1 93 93 ASP HA H 93 4.496 4.496 4.477 0.019 25852 431 1 . 1 1 93 93 ASP CA C 93 49.525 49.525 55.209 -5.684 25852 432 1 . 1 1 93 93 ASP CB C 93 35.788 35.788 40.366 -4.578 25852 433 1 . 1 1 93 93 ASP H H 93 8.018 8.018 7.795 0.223 25852 434 1 . 1 1 94 94 LYS N N 94 125.158 125.158 124.509 0.649 25852 435 1 . 1 1 94 94 LYS HA H 94 3.892 3.892 4.167 -0.275 25852 436 1 . 1 1 94 94 LYS CA C 94 56.183 56.183 57.978 -1.795 25852 437 1 . 1 1 94 94 LYS CB C 94 29.945 29.945 32.861 -2.916 25852 438 1 . 1 1 94 94 LYS H H 94 7.721 7.721 8.236 -0.515 25852 439 1 . 1 1 95 95 ASP N N 95 113.893 113.893 117.979 -4.086 25852 440 1 . 1 1 95 95 ASP HA H 95 4.415 4.415 4.485 -0.070 25852 441 1 . 1 1 95 95 ASP CA C 95 50.683 50.683 54.784 -4.100 25852 442 1 . 1 1 95 95 ASP CB C 95 36.774 36.774 40.764 -3.990 25852 443 1 . 1 1 95 95 ASP H H 95 8.156 8.156 8.303 -0.147 25852 444 1 . 1 1 96 96 GLY N N 96 108.799 108.799 106.817 1.982 25852 445 1 . 1 1 96 96 GLY CA C 96 44.344 44.344 46.108 -1.764 25852 446 1 . 1 1 96 96 GLY H H 96 7.717 7.717 8.418 -0.701 25852 447 1 . 1 1 97 97 ASN N N 97 119.381 119.381 118.341 1.040 25852 448 1 . 1 1 97 97 ASN HA H 97 4.500 4.500 4.785 -0.285 25852 449 1 . 1 1 97 97 ASN CA C 97 49.916 49.916 53.056 -3.140 25852 450 1 . 1 1 97 97 ASN CB C 97 35.183 35.183 39.269 -4.086 25852 451 1 . 1 1 97 97 ASN H H 97 8.312 8.312 8.306 0.006 25852 452 1 . 1 1 98 98 GLY N N 98 112.330 112.330 107.002 5.328 25852 453 1 . 1 1 98 98 GLY CA C 98 42.434 42.434 45.369 -2.935 25852 454 1 . 1 1 98 98 GLY H H 98 10.555 10.555 7.984 2.572 25852 455 1 . 1 1 99 99 TYR N N 99 116.075 116.075 119.562 -3.487 25852 456 1 . 1 1 99 99 TYR HA H 99 4.871 4.871 4.939 -0.068 25852 457 1 . 1 1 99 99 TYR CA C 99 53.582 53.582 56.070 -2.488 25852 458 1 . 1 1 99 99 TYR CB C 99 39.981 39.981 39.438 0.543 25852 459 1 . 1 1 99 99 TYR H H 99 7.650 7.650 7.582 0.068 25852 460 1 . 1 1 100 100 ILE N N 100 126.834 126.834 126.409 0.425 25852 461 1 . 1 1 100 100 ILE HA H 100 4.493 4.493 4.241 0.252 25852 462 1 . 1 1 100 100 ILE CA C 100 58.616 58.616 61.445 -2.829 25852 463 1 . 1 1 100 100 ILE CB C 100 35.903 35.903 36.699 -0.796 25852 464 1 . 1 1 100 100 ILE H H 100 10.037 10.037 8.588 1.449 25852 465 1 . 1 1 101 101 SER N N 101 123.486 123.486 122.725 0.761 25852 466 1 . 1 1 101 101 SER HA H 101 4.738 4.738 4.496 0.242 25852 467 1 . 1 1 101 101 SER CA C 101 52.897 52.897 57.964 -5.067 25852 468 1 . 1 1 101 101 SER CB C 101 64.134 64.134 64.641 -0.507 25852 469 1 . 1 1 101 101 SER H H 101 8.904 8.904 8.515 0.389 25852 470 1 . 1 1 102 102 ALA N N 102 122.796 122.796 124.119 -1.323 25852 471 1 . 1 1 102 102 ALA HA H 102 3.747 3.747 4.059 -0.312 25852 472 1 . 1 1 102 102 ALA CA C 102 53.093 53.093 54.906 -1.813 25852 473 1 . 1 1 102 102 ALA CB C 102 15.114 15.114 18.417 -3.303 25852 474 1 . 1 1 102 102 ALA H H 102 9.246 9.246 8.754 0.492 25852 475 1 . 1 1 103 103 ALA N N 103 118.362 118.362 118.912 -0.550 25852 476 1 . 1 1 103 103 ALA HA H 103 3.861 3.861 4.180 -0.319 25852 477 1 . 1 1 103 103 ALA CA C 103 52.409 52.409 53.906 -1.496 25852 478 1 . 1 1 103 103 ALA CB C 103 15.456 15.456 18.862 -3.406 25852 479 1 . 1 1 103 103 ALA H H 103 8.214 8.214 8.323 -0.109 25852 480 1 . 1 1 104 104 GLU N N 104 120.187 120.187 120.287 -0.100 25852 481 1 . 1 1 104 104 GLU HA H 104 3.904 3.904 4.159 -0.255 25852 482 1 . 1 1 104 104 GLU CA C 104 56.563 56.563 58.701 -2.138 25852 483 1 . 1 1 104 104 GLU CB C 104 26.400 26.400 29.708 -3.308 25852 484 1 . 1 1 104 104 GLU H H 104 7.864 7.864 7.820 0.044 25852 485 1 . 1 1 105 105 LEU N N 105 121.050 121.050 120.223 0.827 25852 486 1 . 1 1 105 105 LEU HA H 105 3.892 3.892 4.166 -0.274 25852 487 1 . 1 1 105 105 LEU CA C 105 55.732 55.732 58.039 -2.307 25852 488 1 . 1 1 105 105 LEU CB C 105 39.340 39.340 42.088 -2.748 25852 489 1 . 1 1 105 105 LEU H H 105 8.341 8.341 8.579 -0.238 25852 490 1 . 1 1 106 106 ARG N N 106 118.494 118.494 119.416 -0.922 25852 491 1 . 1 1 106 106 ARG HA H 106 3.904 3.904 4.050 -0.145 25852 492 1 . 1 1 106 106 ARG CA C 106 55.724 55.724 58.827 -3.103 25852 493 1 . 1 1 106 106 ARG CB C 106 29.945 29.945 29.144 0.801 25852 494 1 . 1 1 106 106 ARG H H 106 8.852 8.852 7.732 1.120 25852 495 1 . 1 1 107 107 HIS N N 107 118.921 118.921 119.205 -0.284 25852 496 1 . 1 1 107 107 HIS HA H 107 3.876 3.876 4.420 -0.544 25852 497 1 . 1 1 107 107 HIS CA C 107 56.807 56.807 59.310 -2.503 25852 498 1 . 1 1 107 107 HIS CB C 107 27.198 27.198 30.056 -2.858 25852 499 1 . 1 1 107 107 HIS H H 107 8.045 8.045 8.495 -0.450 25852 500 1 . 1 1 108 108 VAL N N 108 118.991 118.991 120.788 -1.797 25852 501 1 . 1 1 108 108 VAL HA H 108 3.385 3.385 3.524 -0.139 25852 502 1 . 1 1 108 108 VAL CA C 108 64.285 64.285 66.476 -2.191 25852 503 1 . 1 1 108 108 VAL CB C 108 28.908 28.908 31.255 -2.347 25852 504 1 . 1 1 108 108 VAL H H 108 7.766 7.766 8.544 -0.778 25852 505 1 . 1 1 109 109 MET N N 109 115.789 115.789 119.065 -3.276 25852 506 1 . 1 1 109 109 MET HA H 109 4.139 4.139 4.022 0.117 25852 507 1 . 1 1 109 109 MET CA C 109 54.461 54.461 59.301 -4.840 25852 508 1 . 1 1 109 109 MET CB C 109 29.706 29.706 32.159 -2.453 25852 509 1 . 1 1 109 109 MET H H 109 8.333 8.333 8.563 -0.230 25852 510 1 . 1 1 110 110 THR N N 110 116.700 116.700 113.374 3.326 25852 511 1 . 1 1 110 110 THR HA H 110 3.935 3.935 4.146 -0.211 25852 512 1 . 1 1 110 110 THR CA C 110 63.845 63.845 65.338 -1.492 25852 513 1 . 1 1 110 110 THR CB C 110 66.072 66.072 68.242 -2.170 25852 514 1 . 1 1 110 110 THR H H 110 8.603 8.603 8.285 0.318 25852 515 1 . 1 1 111 111 ASN N N 111 123.354 123.354 118.967 4.387 25852 516 1 . 1 1 111 111 ASN HA H 111 4.242 4.242 4.537 -0.295 25852 517 1 . 1 1 111 111 ASN CA C 111 53.093 53.093 55.398 -2.305 25852 518 1 . 1 1 111 111 ASN CB C 111 35.292 35.292 38.719 -3.427 25852 519 1 . 1 1 111 111 ASN H H 111 7.991 7.991 7.374 0.617 25852 520 1 . 1 1 112 112 LEU N N 112 118.291 118.291 117.069 1.222 25852 521 1 . 1 1 112 112 LEU HA H 112 4.182 4.182 4.185 -0.003 25852 522 1 . 1 1 112 112 LEU CA C 112 52.653 52.653 56.164 -3.511 25852 523 1 . 1 1 112 112 LEU CB C 112 39.738 39.738 42.710 -2.972 25852 524 1 . 1 1 112 112 LEU H H 112 7.754 7.754 7.995 -0.241 25852 525 1 . 1 1 113 113 GLY N N 113 106.894 106.894 104.193 2.701 25852 526 1 . 1 1 113 113 GLY CA C 113 42.536 42.536 44.552 -2.016 25852 527 1 . 1 1 113 113 GLY H H 113 7.778 7.778 8.096 -0.318 25852 528 1 . 1 1 114 114 GLU N N 114 119.776 119.776 121.247 -1.471 25852 529 1 . 1 1 114 114 GLU HA H 114 4.267 4.267 4.484 -0.217 25852 530 1 . 1 1 114 114 GLU CA C 114 52.067 52.067 55.241 -3.174 25852 531 1 . 1 1 114 114 GLU CB C 114 26.616 26.616 32.093 -5.477 25852 532 1 . 1 1 114 114 GLU H H 114 7.957 7.957 8.503 -0.546 25852 533 1 . 1 1 115 115 LYS N N 115 124.429 124.429 121.276 3.153 25852 534 1 . 1 1 115 115 LYS HA H 115 4.255 4.255 4.450 -0.195 25852 535 1 . 1 1 115 115 LYS CA C 115 52.848 52.848 55.545 -2.697 25852 536 1 . 1 1 115 115 LYS CB C 115 30.518 30.518 33.462 -2.944 25852 537 1 . 1 1 115 115 LYS H H 115 8.591 8.591 8.356 0.235 25852 538 1 . 1 1 116 116 LEU N N 116 124.724 124.724 125.352 -0.628 25852 539 1 . 1 1 116 116 LEU HA H 116 4.690 4.690 4.857 -0.167 25852 540 1 . 1 1 116 116 LEU CA C 116 51.089 51.089 54.014 -2.925 25852 541 1 . 1 1 116 116 LEU CB C 116 42.588 42.588 44.802 -2.214 25852 542 1 . 1 1 116 116 LEU H H 116 8.066 8.066 8.474 -0.408 25852 543 1 . 1 1 117 117 THR N N 117 113.912 113.912 117.997 -4.085 25852 544 1 . 1 1 117 117 THR HA H 117 4.302 4.302 4.345 -0.043 25852 545 1 . 1 1 117 117 THR CA C 117 57.834 57.834 61.614 -3.780 25852 546 1 . 1 1 117 117 THR CB C 117 68.580 68.580 70.786 -2.206 25852 547 1 . 1 1 117 117 THR H H 117 9.165 9.165 8.826 0.339 25852 548 1 . 1 1 118 118 ASP N N 118 120.787 120.787 120.266 0.521 25852 549 1 . 1 1 118 118 ASP HA H 118 4.061 4.061 4.430 -0.369 25852 550 1 . 1 1 118 118 ASP CA C 118 55.243 55.243 57.847 -2.604 25852 551 1 . 1 1 118 118 ASP CB C 118 37.002 37.002 40.981 -3.979 25852 552 1 . 1 1 118 118 ASP H H 118 8.860 8.860 8.756 0.105 25852 553 1 . 1 1 119 119 GLU N N 119 119.091 119.091 117.411 1.680 25852 554 1 . 1 1 119 119 GLU HA H 119 3.892 3.892 4.326 -0.434 25852 555 1 . 1 1 119 119 GLU CA C 119 57.149 57.149 57.671 -0.522 25852 556 1 . 1 1 119 119 GLU CB C 119 25.931 25.931 29.257 -3.326 25852 557 1 . 1 1 119 119 GLU H H 119 8.618 8.618 8.591 0.027 25852 558 1 . 1 1 120 120 GLU N N 120 120.037 120.037 117.595 2.442 25852 559 1 . 1 1 120 120 GLU HA H 120 3.880 3.880 4.236 -0.356 25852 560 1 . 1 1 120 120 GLU CA C 120 56.319 56.319 57.828 -1.509 25852 561 1 . 1 1 120 120 GLU CB C 120 25.830 25.830 29.750 -3.919 25852 562 1 . 1 1 120 120 GLU H H 120 7.659 7.659 8.386 -0.727 25852 563 1 . 1 1 121 121 VAL N N 121 122.512 122.512 115.491 7.021 25852 564 1 . 1 1 121 121 VAL HA H 121 3.385 3.385 4.025 -0.640 25852 565 1 . 1 1 121 121 VAL CA C 121 64.090 64.090 64.007 0.083 25852 566 1 . 1 1 121 121 VAL CB C 121 28.680 28.680 31.964 -3.284 25852 567 1 . 1 1 121 121 VAL H H 121 7.887 7.887 7.382 0.505 25852 568 1 . 1 1 122 122 ASP N N 122 119.993 119.993 119.886 0.107 25852 569 1 . 1 1 122 122 ASP HA H 122 4.157 4.157 4.498 -0.341 25852 570 1 . 1 1 122 122 ASP CA C 122 54.901 54.901 56.113 -1.212 25852 571 1 . 1 1 122 122 ASP CB C 122 37.572 37.572 39.616 -2.044 25852 572 1 . 1 1 122 122 ASP H H 122 7.973 7.973 8.313 -0.340 25852 573 1 . 1 1 123 123 GLU N N 123 119.521 119.521 114.687 4.834 25852 574 1 . 1 1 123 123 GLU HA H 123 3.880 3.880 4.448 -0.568 25852 575 1 . 1 1 123 123 GLU CA C 123 56.612 56.612 56.841 -0.229 25852 576 1 . 1 1 123 123 GLU CB C 123 26.172 26.172 30.721 -4.549 25852 577 1 . 1 1 123 123 GLU H H 123 7.903 7.903 7.967 -0.064 25852 578 1 . 1 1 124 124 MET N N 124 118.961 118.961 119.787 -0.826 25852 579 1 . 1 1 124 124 MET HA H 124 3.892 3.892 4.357 -0.465 25852 580 1 . 1 1 124 124 MET CA C 124 56.905 56.905 58.029 -1.124 25852 581 1 . 1 1 124 124 MET CB C 124 29.250 29.250 33.251 -4.001 25852 582 1 . 1 1 124 124 MET H H 124 7.496 7.496 7.758 -0.262 25852 583 1 . 1 1 125 125 ILE N N 125 117.801 117.801 118.053 -0.252 25852 584 1 . 1 1 125 125 ILE HA H 125 3.409 3.409 3.917 -0.508 25852 585 1 . 1 1 125 125 ILE CA C 125 60.131 60.131 64.053 -3.922 25852 586 1 . 1 1 125 125 ILE CB C 125 33.240 33.240 38.132 -4.892 25852 587 1 . 1 1 125 125 ILE H H 125 7.762 7.762 7.657 0.105 25852 588 1 . 1 1 126 126 ARG N N 126 117.729 117.729 118.626 -0.897 25852 589 1 . 1 1 126 126 ARG HA H 126 3.883 3.883 4.018 -0.135 25852 590 1 . 1 1 126 126 ARG CA C 126 56.673 56.673 59.364 -2.691 25852 591 1 . 1 1 126 126 ARG CB C 126 29.478 29.478 29.920 -0.442 25852 592 1 . 1 1 126 126 ARG H H 126 8.055 8.055 8.560 -0.505 25852 593 1 . 1 1 127 127 GLU N N 127 117.539 117.539 116.420 1.119 25852 594 1 . 1 1 127 127 GLU HA H 127 3.861 3.861 4.165 -0.304 25852 595 1 . 1 1 127 127 GLU CA C 127 56.319 56.319 58.214 -1.895 25852 596 1 . 1 1 127 127 GLU CB C 127 26.286 26.286 29.342 -3.056 25852 597 1 . 1 1 127 127 GLU H H 127 7.700 7.700 7.989 -0.289 25852 598 1 . 1 1 128 128 ALA N N 128 116.677 116.677 119.979 -3.302 25852 599 1 . 1 1 128 128 ALA HA H 128 4.500 4.500 4.413 0.087 25852 600 1 . 1 1 128 128 ALA CA C 128 48.205 48.205 51.941 -3.736 25852 601 1 . 1 1 128 128 ALA CB C 128 19.633 19.633 20.702 -1.069 25852 602 1 . 1 1 128 128 ALA H H 128 7.223 7.223 7.523 -0.300 25852 603 1 . 1 1 129 129 ASP N N 129 118.030 118.030 119.296 -1.266 25852 604 1 . 1 1 129 129 ASP HA H 129 4.460 4.460 4.779 -0.319 25852 605 1 . 1 1 129 129 ASP CA C 129 51.485 51.485 56.065 -4.580 25852 606 1 . 1 1 129 129 ASP CB C 129 38.195 38.195 41.122 -2.927 25852 607 1 . 1 1 129 129 ASP H H 129 7.895 7.895 8.351 -0.456 25852 608 1 . 1 1 130 130 ILE N N 130 127.693 127.693 126.174 1.519 25852 609 1 . 1 1 130 130 ILE HA H 130 3.797 3.797 4.032 -0.235 25852 610 1 . 1 1 130 130 ILE CA C 130 60.522 60.522 63.133 -2.611 25852 611 1 . 1 1 130 130 ILE CB C 130 36.090 36.090 38.562 -2.472 25852 612 1 . 1 1 130 130 ILE H H 130 8.148 8.148 9.052 -0.904 25852 613 1 . 1 1 131 131 ASP N N 131 116.409 116.409 119.132 -2.723 25852 614 1 . 1 1 131 131 ASP HA H 131 4.376 4.376 4.654 -0.277 25852 615 1 . 1 1 131 131 ASP CA C 131 51.187 51.187 54.609 -3.422 25852 616 1 . 1 1 131 131 ASP CB C 131 37.468 37.468 42.099 -4.631 25852 617 1 . 1 1 131 131 ASP H H 131 8.288 8.288 8.074 0.214 25852 618 1 . 1 1 132 132 GLY N N 132 108.363 108.363 108.493 -0.130 25852 619 1 . 1 1 132 132 GLY CA C 132 44.638 44.638 45.351 -0.713 25852 620 1 . 1 1 132 132 GLY H H 132 7.630 7.630 8.119 -0.489 25852 621 1 . 1 1 133 133 ASP N N 133 120.183 120.183 120.328 -0.145 25852 622 1 . 1 1 133 133 ASP HA H 133 4.329 4.329 4.574 -0.245 25852 623 1 . 1 1 133 133 ASP CA C 133 50.942 50.942 54.809 -3.867 25852 624 1 . 1 1 133 133 ASP CB C 133 37.458 37.458 41.639 -4.181 25852 625 1 . 1 1 133 133 ASP H H 133 8.298 8.298 8.536 -0.238 25852 626 1 . 1 1 134 134 GLY N N 134 112.149 112.149 107.924 4.225 25852 627 1 . 1 1 134 134 GLY CA C 134 43.122 43.122 45.108 -1.986 25852 628 1 . 1 1 134 134 GLY H H 134 10.079 10.079 8.212 1.867 25852 629 1 . 1 1 135 135 GLN N N 135 115.069 115.069 117.860 -2.791 25852 630 1 . 1 1 135 135 GLN HA H 135 4.844 4.844 4.590 0.254 25852 631 1 . 1 1 135 135 GLN CA C 135 50.454 50.454 54.654 -4.200 25852 632 1 . 1 1 135 135 GLN CB C 135 30.614 30.614 31.856 -1.242 25852 633 1 . 1 1 135 135 GLN H H 135 7.922 7.922 7.721 0.201 25852 634 1 . 1 1 136 136 VAL N N 136 125.107 125.107 124.337 0.770 25852 635 1 . 1 1 136 136 VAL HA H 136 5.096 5.096 4.650 0.446 25852 636 1 . 1 1 136 136 VAL CA C 136 58.713 58.713 62.075 -3.362 25852 637 1 . 1 1 136 136 VAL CB C 136 31.416 31.416 32.923 -1.507 25852 638 1 . 1 1 136 136 VAL H H 136 9.046 9.046 8.377 0.669 25852 639 1 . 1 1 137 137 ASN N N 137 128.858 128.858 125.062 3.796 25852 640 1 . 1 1 137 137 ASN HA H 137 5.226 5.226 5.068 0.158 25852 641 1 . 1 1 137 137 ASN CA C 137 48.352 48.352 52.443 -4.091 25852 642 1 . 1 1 137 137 ASN CB C 137 35.640 35.640 40.055 -4.415 25852 643 1 . 1 1 137 137 ASN H H 137 9.458 9.458 9.040 0.418 25852 644 1 . 1 1 138 138 TYR N N 138 118.481 118.481 120.572 -2.091 25852 645 1 . 1 1 138 138 TYR HA H 138 3.603 3.603 4.358 -0.755 25852 646 1 . 1 1 138 138 TYR CA C 138 59.669 59.669 62.782 -3.113 25852 647 1 . 1 1 138 138 TYR CB C 138 37.572 37.572 38.130 -0.558 25852 648 1 . 1 1 138 138 TYR H H 138 8.235 8.235 9.028 -0.793 25852 649 1 . 1 1 139 139 GLU N N 139 118.474 118.474 118.422 0.052 25852 650 1 . 1 1 139 139 GLU HA H 139 3.868 3.868 4.025 -0.157 25852 651 1 . 1 1 139 139 GLU CA C 139 57.540 57.540 59.478 -1.938 25852 652 1 . 1 1 139 139 GLU CB C 139 26.274 26.274 28.832 -2.558 25852 653 1 . 1 1 139 139 GLU H H 139 8.067 8.067 8.992 -0.925 25852 654 1 . 1 1 140 140 GLU N N 140 119.279 119.279 118.831 0.448 25852 655 1 . 1 1 140 140 GLU HA H 140 3.880 3.880 4.273 -0.393 25852 656 1 . 1 1 140 140 GLU CA C 140 56.025 56.025 58.432 -2.407 25852 657 1 . 1 1 140 140 GLU CB C 140 26.274 26.274 29.743 -3.469 25852 658 1 . 1 1 140 140 GLU H H 140 8.742 8.742 8.500 0.242 25852 659 1 . 1 1 141 141 PHE N N 141 124.141 124.141 119.978 4.163 25852 660 1 . 1 1 141 141 PHE HA H 141 3.602 3.602 4.233 -0.631 25852 661 1 . 1 1 141 141 PHE CA C 141 59.447 59.447 60.448 -1.001 25852 662 1 . 1 1 141 141 PHE CB C 141 37.686 37.686 39.328 -1.642 25852 663 1 . 1 1 141 141 PHE H H 141 8.593 8.593 7.807 0.786 25852 664 1 . 1 1 142 142 VAL N N 142 118.383 118.383 117.768 0.615 25852 665 1 . 1 1 142 142 VAL HA H 142 2.986 2.986 3.768 -0.782 25852 666 1 . 1 1 142 142 VAL CA C 142 64.432 64.432 65.535 -1.103 25852 667 1 . 1 1 142 142 VAL CB C 142 28.908 28.908 32.024 -3.116 25852 668 1 . 1 1 142 142 VAL H H 142 8.776 8.776 8.165 0.611 25852 669 1 . 1 1 143 143 GLN N N 143 119.891 119.891 119.997 -0.106 25852 670 1 . 1 1 143 143 GLN HA H 143 3.671 3.671 4.023 -0.352 25852 671 1 . 1 1 143 143 GLN CA C 143 56.514 56.514 58.644 -2.130 25852 672 1 . 1 1 143 143 GLN CB C 143 25.246 25.246 28.313 -3.067 25852 673 1 . 1 1 143 143 GLN H H 143 7.787 7.787 7.894 -0.107 25852 674 1 . 1 1 144 144 MET N N 144 118.429 118.429 117.124 1.305 25852 675 1 . 1 1 144 144 MET HA H 144 3.892 3.892 4.223 -0.331 25852 676 1 . 1 1 144 144 MET CA C 144 55.683 55.683 57.567 -1.884 25852 677 1 . 1 1 144 144 MET CB C 144 28.110 28.110 31.860 -3.750 25852 678 1 . 1 1 144 144 MET H H 144 7.450 7.450 7.708 -0.258 25852 679 1 . 1 1 145 145 MET N N 145 114.145 114.145 115.879 -1.734 25852 680 1 . 1 1 145 145 MET HA H 145 3.905 3.905 4.462 -0.557 25852 681 1 . 1 1 145 145 MET CA C 145 53.630 53.630 57.287 -3.657 25852 682 1 . 1 1 145 145 MET CB C 145 29.592 29.592 32.693 -3.101 25852 683 1 . 1 1 145 145 MET H H 145 7.724 7.724 7.935 -0.211 25852 684 1 . 1 1 146 146 THR N N 146 108.482 108.482 112.856 -4.374 25852 685 1 . 1 1 146 146 THR HA H 146 4.170 4.170 4.409 -0.239 25852 686 1 . 1 1 146 146 THR CA C 146 59.251 59.251 62.286 -3.035 25852 687 1 . 1 1 146 146 THR CB C 146 67.896 67.896 69.949 -2.053 25852 688 1 . 1 1 146 146 THR H H 146 7.700 7.700 7.561 0.139 25852 689 1 . 1 1 147 147 ALA N N 147 126.469 126.469 125.316 1.153 25852 690 1 . 1 1 147 147 ALA HA H 147 4.095 4.095 4.014 0.081 25852 691 1 . 1 1 147 147 ALA CA C 147 50.307 50.307 54.033 -3.726 25852 692 1 . 1 1 147 147 ALA CB C 147 16.336 16.336 18.990 -2.654 25852 693 1 . 1 1 147 147 ALA H H 147 7.291 7.291 8.745 -1.454 25852 stop_ save_