data_18431 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18431 _Entry.PDB_ID 2LSG 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 18431 _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 9 9 ALA N N 9 123.345 123.345 125.704 -2.359 18431 2 1 1 . 1 1 9 9 ALA HA H 9 4.549 4.549 4.648 -0.099 18431 3 1 1 . 1 1 9 9 ALA CA C 9 50.151 50.151 51.300 -1.149 18431 4 1 1 . 1 1 9 9 ALA CB C 9 18.185 18.185 18.806 -0.621 18431 5 1 1 . 1 1 9 9 ALA H H 9 7.992 7.992 8.181 -0.189 18431 6 1 1 . 1 1 10 10 PRO HA H 10 4.299 4.299 4.468 -0.169 18431 7 1 1 . 1 1 10 10 PRO CA C 10 62.937 62.937 62.194 0.743 18431 8 1 1 . 1 1 10 10 PRO CB C 10 31.902 31.902 32.403 -0.501 18431 9 1 1 . 1 1 11 11 ASN N N 11 117.877 117.877 117.854 0.023 18431 10 1 1 . 1 1 11 11 ASN HA H 11 4.646 4.646 4.674 -0.028 18431 11 1 1 . 1 1 11 11 ASN CA C 11 53.077 53.077 53.096 -0.019 18431 12 1 1 . 1 1 11 11 ASN CB C 11 38.590 38.590 37.584 1.006 18431 13 1 1 . 1 1 11 11 ASN H H 11 8.467 8.467 8.512 -0.045 18431 14 1 1 . 1 1 12 12 LEU N N 12 122.874 122.874 122.566 0.308 18431 15 1 1 . 1 1 12 12 LEU HA H 12 4.290 4.290 4.542 -0.252 18431 16 1 1 . 1 1 12 12 LEU CA C 12 55.170 55.170 54.118 1.052 18431 17 1 1 . 1 1 12 12 LEU CB C 12 42.131 42.131 42.944 -0.813 18431 18 1 1 . 1 1 12 12 LEU H H 12 8.196 8.196 7.690 0.506 18431 19 1 1 . 1 1 13 13 ALA N N 13 123.854 123.854 127.355 -3.501 18431 20 1 1 . 1 1 13 13 ALA HA H 13 4.243 4.243 4.275 -0.032 18431 21 1 1 . 1 1 13 13 ALA CA C 13 52.672 52.672 52.354 0.318 18431 22 1 1 . 1 1 13 13 ALA CB C 13 18.923 18.923 19.316 -0.393 18431 23 1 1 . 1 1 13 13 ALA H H 13 8.214 8.214 8.296 -0.082 18431 24 1 1 . 1 1 14 14 GLY N N 14 107.993 107.993 104.790 3.203 18431 25 1 1 . 1 1 14 14 GLY CA C 14 44.989 44.989 44.487 0.502 18431 26 1 1 . 1 1 14 14 GLY H H 14 8.246 8.246 8.391 -0.145 18431 27 1 1 . 1 1 15 15 ALA N N 15 123.594 123.594 120.481 3.113 18431 28 1 1 . 1 1 15 15 ALA HA H 15 4.330 4.330 4.033 0.297 18431 29 1 1 . 1 1 15 15 ALA CA C 15 52.147 52.147 52.547 -0.400 18431 30 1 1 . 1 1 15 15 ALA CB C 15 18.941 18.941 17.352 1.589 18431 31 1 1 . 1 1 15 15 ALA H H 15 8.017 8.017 7.993 0.024 18431 32 1 1 . 1 1 16 16 VAL N N 16 119.010 119.010 113.721 5.289 18431 33 1 1 . 1 1 16 16 VAL HA H 16 4.036 4.036 3.890 0.146 18431 34 1 1 . 1 1 16 16 VAL CA C 16 62.127 62.127 64.727 -2.600 18431 35 1 1 . 1 1 16 16 VAL CB C 16 32.727 32.727 31.823 0.904 18431 36 1 1 . 1 1 16 16 VAL H H 16 8.060 8.060 7.999 0.061 18431 37 1 1 . 1 1 17 17 GLU N N 17 124.211 124.211 118.379 5.832 18431 38 1 1 . 1 1 17 17 GLU HA H 17 4.429 4.429 4.544 -0.115 18431 39 1 1 . 1 1 17 17 GLU CA C 17 57.429 57.429 56.079 1.350 18431 40 1 1 . 1 1 17 17 GLU CB C 17 29.421 29.421 30.276 -0.855 18431 41 1 1 . 1 1 17 17 GLU H H 17 8.436 8.436 8.230 0.206 18431 42 1 1 . 1 1 18 18 PHE HA H 18 4.291 4.291 4.340 -0.049 18431 43 1 1 . 1 1 18 18 PHE CA C 18 60.955 60.955 60.568 0.388 18431 44 1 1 . 1 1 18 18 PHE CB C 18 38.464 38.464 39.539 -1.075 18431 45 1 1 . 1 1 19 19 SER N N 19 112.147 112.147 114.479 -2.332 18431 46 1 1 . 1 1 19 19 SER HA H 19 3.659 3.659 3.803 -0.144 18431 47 1 1 . 1 1 19 19 SER CA C 19 61.576 61.576 61.498 0.078 18431 48 1 1 . 1 1 19 19 SER CB C 19 61.649 61.649 62.889 -1.240 18431 49 1 1 . 1 1 19 19 SER H H 19 8.871 8.871 8.569 0.302 18431 50 1 1 . 1 1 20 20 ASP N N 20 120.916 120.916 120.898 0.018 18431 51 1 1 . 1 1 20 20 ASP HA H 20 4.492 4.492 4.522 -0.030 18431 52 1 1 . 1 1 20 20 ASP CA C 20 56.696 56.696 56.901 -0.205 18431 53 1 1 . 1 1 20 20 ASP CB C 20 40.543 40.543 40.537 0.006 18431 54 1 1 . 1 1 20 20 ASP H H 20 7.019 7.019 7.360 -0.341 18431 55 1 1 . 1 1 21 21 VAL HA H 21 3.224 3.224 3.564 -0.340 18431 56 1 1 . 1 1 21 21 VAL CA C 21 66.801 66.801 66.363 0.438 18431 57 1 1 . 1 1 21 21 VAL CB C 21 31.741 31.741 31.623 0.118 18431 58 1 1 . 1 1 22 22 LYS HA H 22 3.435 3.435 3.925 -0.490 18431 59 1 1 . 1 1 22 22 LYS CA C 22 60.282 60.282 59.922 0.360 18431 60 1 1 . 1 1 22 22 LYS CB C 22 31.283 31.283 31.109 0.174 18431 61 1 1 . 1 1 23 23 THR N N 23 116.224 116.224 116.067 0.157 18431 62 1 1 . 1 1 23 23 THR HA H 23 3.796 3.796 4.130 -0.334 18431 63 1 1 . 1 1 23 23 THR CA C 23 66.591 66.591 66.264 0.327 18431 64 1 1 . 1 1 23 23 THR CB C 23 68.361 68.361 68.665 -0.303 18431 65 1 1 . 1 1 23 23 THR H H 23 7.391 7.391 7.472 -0.081 18431 66 1 1 . 1 1 24 24 LEU HA H 24 4.022 4.022 4.209 -0.187 18431 67 1 1 . 1 1 24 24 LEU CA C 24 57.911 57.911 57.610 0.301 18431 68 1 1 . 1 1 24 24 LEU CB C 24 42.110 42.110 41.246 0.864 18431 69 1 1 . 1 1 24 24 LEU H H 24 7.699 7.699 7.219 0.480 18431 70 1 1 . 1 1 25 25 LEU N N 25 118.389 118.389 120.496 -2.107 18431 71 1 1 . 1 1 25 25 LEU HA H 25 4.135 4.135 4.214 -0.079 18431 72 1 1 . 1 1 25 25 LEU CA C 25 57.864 57.864 58.018 -0.154 18431 73 1 1 . 1 1 25 25 LEU CB C 25 42.653 42.653 42.037 0.616 18431 74 1 1 . 1 1 25 25 LEU H H 25 8.331 8.331 8.252 0.079 18431 75 1 1 . 1 1 26 26 LYS N N 26 118.433 118.433 119.377 -0.944 18431 76 1 1 . 1 1 26 26 LYS HA H 26 3.833 3.833 3.803 0.030 18431 77 1 1 . 1 1 26 26 LYS CA C 26 60.095 60.095 59.535 0.560 18431 78 1 1 . 1 1 26 26 LYS CB C 26 31.623 31.623 32.019 -0.396 18431 79 1 1 . 1 1 26 26 LYS H H 26 8.464 8.464 8.277 0.187 18431 80 1 1 . 1 1 27 27 GLU N N 27 120.838 120.838 120.067 0.771 18431 81 1 1 . 1 1 27 27 GLU HA H 27 3.945 3.945 4.200 -0.255 18431 82 1 1 . 1 1 27 27 GLU CA C 27 59.509 59.509 59.056 0.453 18431 83 1 1 . 1 1 27 27 GLU CB C 27 29.199 29.199 29.396 -0.197 18431 84 1 1 . 1 1 27 27 GLU H H 27 8.246 8.246 7.861 0.385 18431 85 1 1 . 1 1 28 28 TRP N N 28 122.200 122.200 121.122 1.078 18431 86 1 1 . 1 1 28 28 TRP HA H 28 4.597 4.597 4.629 -0.032 18431 87 1 1 . 1 1 28 28 TRP CA C 28 59.443 59.443 60.266 -0.823 18431 88 1 1 . 1 1 28 28 TRP CB C 28 29.083 29.083 29.401 -0.318 18431 89 1 1 . 1 1 28 28 TRP H H 28 8.143 8.143 7.645 0.498 18431 90 1 1 . 1 1 29 29 ILE N N 29 114.954 114.954 116.962 -2.008 18431 91 1 1 . 1 1 29 29 ILE HA H 29 2.742 2.742 3.358 -0.616 18431 92 1 1 . 1 1 29 29 ILE CA C 29 62.759 62.759 62.716 0.043 18431 93 1 1 . 1 1 29 29 ILE CB C 29 37.992 37.992 37.961 0.031 18431 94 1 1 . 1 1 29 29 ILE H H 29 7.999 7.999 7.472 0.527 18431 95 1 1 . 1 1 30 30 THR N N 30 106.869 106.869 114.012 -7.143 18431 96 1 1 . 1 1 30 30 THR HA H 30 4.117 4.117 4.213 -0.096 18431 97 1 1 . 1 1 30 30 THR CA C 30 63.447 63.447 64.286 -0.839 18431 98 1 1 . 1 1 30 30 THR CB C 30 70.045 70.045 69.167 0.878 18431 99 1 1 . 1 1 30 30 THR H H 30 7.622 7.622 7.831 -0.209 18431 100 1 1 . 1 1 31 31 THR N N 31 111.890 111.890 114.576 -2.686 18431 101 1 1 . 1 1 31 31 THR HA H 31 4.503 4.503 4.151 0.352 18431 102 1 1 . 1 1 31 31 THR CA C 31 63.231 63.231 64.421 -1.190 18431 103 1 1 . 1 1 31 31 THR CB C 31 70.556 70.556 69.189 1.367 18431 104 1 1 . 1 1 31 31 THR H H 31 7.588 7.588 7.970 -0.382 18431 105 1 1 . 1 1 32 32 ILE N N 32 123.663 123.663 122.003 1.660 18431 106 1 1 . 1 1 32 32 ILE HA H 32 4.499 4.499 4.333 0.166 18431 107 1 1 . 1 1 32 32 ILE CA C 32 59.426 59.426 59.710 -0.284 18431 108 1 1 . 1 1 32 32 ILE CB C 32 37.378 37.378 38.825 -1.447 18431 109 1 1 . 1 1 32 32 ILE H H 32 7.929 7.929 7.560 0.369 18431 110 1 1 . 1 1 33 33 SER N N 33 119.544 119.544 118.042 1.502 18431 111 1 1 . 1 1 33 33 SER HA H 33 4.523 4.523 4.705 -0.182 18431 112 1 1 . 1 1 33 33 SER CA C 33 59.189 59.189 58.549 0.640 18431 113 1 1 . 1 1 33 33 SER CB C 33 63.838 63.838 65.148 -1.310 18431 114 1 1 . 1 1 33 33 SER H H 33 8.418 8.418 8.585 -0.167 18431 115 1 1 . 1 1 34 34 ASP HA H 34 4.821 4.821 4.931 -0.110 18431 116 1 1 . 1 1 34 34 ASP CA C 34 51.168 51.168 51.872 -0.704 18431 117 1 1 . 1 1 34 34 ASP CB C 34 41.139 41.139 41.835 -0.696 18431 118 1 1 . 1 1 34 34 ASP H H 34 7.730 7.730 8.239 -0.509 18431 119 1 1 . 1 1 35 35 PRO HA H 35 4.167 4.167 4.544 -0.377 18431 120 1 1 . 1 1 35 35 PRO CA C 35 62.085 62.085 63.047 -0.962 18431 121 1 1 . 1 1 35 35 PRO CB C 35 31.767 31.767 33.174 -1.407 18431 122 1 1 . 1 1 36 36 MET N N 36 121.309 121.309 118.279 3.030 18431 123 1 1 . 1 1 36 36 MET HA H 36 4.565 4.565 4.701 -0.136 18431 124 1 1 . 1 1 36 36 MET CA C 36 53.867 53.867 53.307 0.560 18431 125 1 1 . 1 1 36 36 MET CB C 36 32.411 32.411 34.884 -2.473 18431 126 1 1 . 1 1 36 36 MET H H 36 9.165 9.165 8.215 0.950 18431 127 1 1 . 1 1 37 37 GLU N N 37 125.284 125.284 121.160 4.124 18431 128 1 1 . 1 1 37 37 GLU HA H 37 3.744 3.744 3.852 -0.108 18431 129 1 1 . 1 1 37 37 GLU CA C 37 60.307 60.307 59.608 0.699 18431 130 1 1 . 1 1 37 37 GLU CB C 37 29.448 29.448 28.948 0.500 18431 131 1 1 . 1 1 37 37 GLU H H 37 9.034 9.034 8.904 0.130 18431 132 1 1 . 1 1 38 38 GLU N N 38 116.000 116.000 117.993 -1.993 18431 133 1 1 . 1 1 38 38 GLU HA H 38 4.003 4.003 3.983 0.020 18431 134 1 1 . 1 1 38 38 GLU CA C 38 59.588 59.588 59.074 0.514 18431 135 1 1 . 1 1 38 38 GLU CB C 38 29.280 29.280 28.809 0.471 18431 136 1 1 . 1 1 38 38 GLU H H 38 9.356 9.356 8.667 0.689 18431 137 1 1 . 1 1 39 39 ASP N N 39 118.974 118.974 120.908 -1.934 18431 138 1 1 . 1 1 39 39 ASP HA H 39 4.493 4.493 4.292 0.201 18431 139 1 1 . 1 1 39 39 ASP CA C 39 57.231 57.231 56.972 0.258 18431 140 1 1 . 1 1 39 39 ASP CB C 39 41.226 41.226 40.656 0.570 18431 141 1 1 . 1 1 39 39 ASP H H 39 7.169 7.169 7.817 -0.648 18431 142 1 1 . 1 1 40 40 ILE N N 40 120.269 120.269 119.266 1.003 18431 143 1 1 . 1 1 40 40 ILE HA H 40 3.845 3.845 3.904 -0.059 18431 144 1 1 . 1 1 40 40 ILE CA C 40 65.345 65.345 64.772 0.573 18431 145 1 1 . 1 1 40 40 ILE CB C 40 37.500 37.500 37.994 -0.494 18431 146 1 1 . 1 1 40 40 ILE H H 40 7.766 7.766 7.335 0.431 18431 147 1 1 . 1 1 41 41 LEU N N 41 118.715 118.715 119.885 -1.170 18431 148 1 1 . 1 1 41 41 LEU HA H 41 4.131 4.131 4.043 0.088 18431 149 1 1 . 1 1 41 41 LEU CA C 41 57.835 57.835 57.484 0.351 18431 150 1 1 . 1 1 41 41 LEU CB C 41 40.819 40.819 41.291 -0.472 18431 151 1 1 . 1 1 41 41 LEU H H 41 8.726 8.726 7.815 0.911 18431 152 1 1 . 1 1 42 42 GLN N N 42 119.539 119.539 119.020 0.519 18431 153 1 1 . 1 1 42 42 GLN HA H 42 4.177 4.177 4.073 0.104 18431 154 1 1 . 1 1 42 42 GLN CA C 42 59.241 59.241 58.616 0.625 18431 155 1 1 . 1 1 42 42 GLN CB C 42 28.518 28.518 28.245 0.273 18431 156 1 1 . 1 1 42 42 GLN H H 42 7.768 7.768 8.209 -0.441 18431 157 1 1 . 1 1 43 43 VAL N N 43 121.194 121.194 116.188 5.006 18431 158 1 1 . 1 1 43 43 VAL HA H 43 3.787 3.787 3.749 0.038 18431 159 1 1 . 1 1 43 43 VAL CA C 43 66.760 66.760 66.165 0.595 18431 160 1 1 . 1 1 43 43 VAL CB C 43 31.423 31.423 31.239 0.184 18431 161 1 1 . 1 1 43 43 VAL H H 43 7.712 7.712 7.371 0.341 18431 162 1 1 . 1 1 44 44 VAL N N 44 120.876 120.876 120.447 0.429 18431 163 1 1 . 1 1 44 44 VAL HA H 44 3.422 3.422 3.820 -0.398 18431 164 1 1 . 1 1 44 44 VAL CA C 44 67.910 67.910 65.998 1.912 18431 165 1 1 . 1 1 44 44 VAL CB C 44 31.392 31.392 31.013 0.379 18431 166 1 1 . 1 1 44 44 VAL H H 44 8.232 8.232 7.419 0.813 18431 167 1 1 . 1 1 45 45 ARG N N 45 120.934 120.934 120.647 0.287 18431 168 1 1 . 1 1 45 45 ARG HA H 45 4.148 4.148 4.047 0.101 18431 169 1 1 . 1 1 45 45 ARG CA C 45 58.593 58.593 58.935 -0.342 18431 170 1 1 . 1 1 45 45 ARG CB C 45 29.608 29.608 29.467 0.141 18431 171 1 1 . 1 1 45 45 ARG H H 45 8.489 8.489 7.730 0.759 18431 172 1 1 . 1 1 46 46 TYR N N 46 120.548 120.548 120.504 0.044 18431 173 1 1 . 1 1 46 46 TYR HA H 46 4.547 4.547 4.248 0.299 18431 174 1 1 . 1 1 46 46 TYR CA C 46 60.926 60.926 61.390 -0.464 18431 175 1 1 . 1 1 46 46 TYR CB C 46 38.447 38.447 37.884 0.563 18431 176 1 1 . 1 1 46 46 TYR H H 46 7.870 7.870 7.779 0.091 18431 177 1 1 . 1 1 47 47 CYS N N 47 115.132 115.132 117.925 -2.793 18431 178 1 1 . 1 1 47 47 CYS HA H 47 3.738 3.738 3.750 -0.012 18431 179 1 1 . 1 1 47 47 CYS CA C 47 64.313 64.313 64.404 -0.091 18431 180 1 1 . 1 1 47 47 CYS CB C 47 27.744 27.744 27.794 -0.050 18431 181 1 1 . 1 1 47 47 CYS H H 47 8.109 8.109 7.811 0.298 18431 182 1 1 . 1 1 48 48 THR N N 48 114.153 114.153 115.587 -1.434 18431 183 1 1 . 1 1 48 48 THR HA H 48 3.877 3.877 4.072 -0.195 18431 184 1 1 . 1 1 48 48 THR CA C 48 66.755 66.755 66.268 0.487 18431 185 1 1 . 1 1 48 48 THR CB C 48 67.593 67.593 67.887 -0.294 18431 186 1 1 . 1 1 48 48 THR H H 48 8.776 8.776 8.528 0.248 18431 187 1 1 . 1 1 49 49 ASP N N 49 126.528 126.528 121.019 5.509 18431 188 1 1 . 1 1 49 49 ASP HA H 49 4.425 4.425 4.599 -0.174 18431 189 1 1 . 1 1 49 49 ASP CA C 49 57.688 57.688 56.580 1.108 18431 190 1 1 . 1 1 49 49 ASP CB C 49 39.249 39.249 40.593 -1.344 18431 191 1 1 . 1 1 49 49 ASP H H 49 8.697 8.697 8.110 0.587 18431 192 1 1 . 1 1 50 50 LEU HA H 50 3.924 3.924 4.115 -0.191 18431 193 1 1 . 1 1 50 50 LEU CA C 50 58.157 58.157 57.547 0.610 18431 194 1 1 . 1 1 50 50 LEU CB C 50 41.408 41.408 42.016 -0.608 18431 195 1 1 . 1 1 51 51 ILE N N 51 118.832 118.832 116.735 2.097 18431 196 1 1 . 1 1 51 51 ILE HA H 51 3.417 3.417 3.729 -0.312 18431 197 1 1 . 1 1 51 51 ILE CA C 51 66.261 66.261 65.057 1.204 18431 198 1 1 . 1 1 51 51 ILE CB C 51 37.691 37.691 37.359 0.332 18431 199 1 1 . 1 1 51 51 ILE H H 51 7.639 7.639 7.604 0.035 18431 200 1 1 . 1 1 52 52 GLU N N 52 123.247 123.247 118.999 4.248 18431 201 1 1 . 1 1 52 52 GLU HA H 52 4.001 4.001 4.162 -0.161 18431 202 1 1 . 1 1 52 52 GLU CA C 52 59.592 59.592 58.712 0.880 18431 203 1 1 . 1 1 52 52 GLU CB C 52 29.068 29.068 29.464 -0.396 18431 204 1 1 . 1 1 52 52 GLU H H 52 8.506 8.506 8.202 0.304 18431 205 1 1 . 1 1 53 53 GLU N N 53 116.384 116.384 115.996 0.388 18431 206 1 1 . 1 1 53 53 GLU HA H 53 4.294 4.294 4.447 -0.153 18431 207 1 1 . 1 1 53 53 GLU CA C 53 55.907 55.907 55.787 0.120 18431 208 1 1 . 1 1 53 53 GLU CB C 53 29.710 29.710 29.648 0.062 18431 209 1 1 . 1 1 53 53 GLU H H 53 7.716 7.716 7.772 -0.056 18431 210 1 1 . 1 1 54 54 LYS N N 54 116.934 116.934 114.486 2.448 18431 211 1 1 . 1 1 54 54 LYS HA H 54 3.662 3.662 3.979 -0.317 18431 212 1 1 . 1 1 54 54 LYS CA C 54 57.278 57.278 58.109 -0.831 18431 213 1 1 . 1 1 54 54 LYS CB C 54 29.785 29.785 30.237 -0.452 18431 214 1 1 . 1 1 54 54 LYS H H 54 8.089 8.089 7.465 0.624 18431 215 1 1 . 1 1 55 55 ASP N N 55 122.549 122.549 118.982 3.567 18431 216 1 1 . 1 1 55 55 ASP HA H 55 5.058 5.058 4.788 0.270 18431 217 1 1 . 1 1 55 55 ASP CA C 55 51.306 51.306 54.025 -2.719 18431 218 1 1 . 1 1 55 55 ASP CB C 55 38.856 38.856 39.996 -1.140 18431 219 1 1 . 1 1 55 55 ASP H H 55 8.497 8.497 8.323 0.174 18431 220 1 1 . 1 1 56 56 LEU N N 56 119.627 119.627 116.694 2.933 18431 221 1 1 . 1 1 56 56 LEU HA H 56 3.901 3.901 4.328 -0.427 18431 222 1 1 . 1 1 56 56 LEU CA C 56 56.528 56.528 55.495 1.032 18431 223 1 1 . 1 1 56 56 LEU CB C 56 40.034 40.034 40.298 -0.264 18431 224 1 1 . 1 1 56 56 LEU H H 56 7.578 7.578 7.907 -0.329 18431 225 1 1 . 1 1 57 57 GLU N N 57 121.433 121.433 121.140 0.293 18431 226 1 1 . 1 1 57 57 GLU HA H 57 4.041 4.041 3.867 0.174 18431 227 1 1 . 1 1 57 57 GLU CA C 57 59.321 59.321 59.830 -0.509 18431 228 1 1 . 1 1 57 57 GLU CB C 57 29.229 29.229 28.805 0.424 18431 229 1 1 . 1 1 57 57 GLU H H 57 8.614 8.614 8.511 0.103 18431 230 1 1 . 1 1 58 58 LYS N N 58 119.832 119.832 118.166 1.666 18431 231 1 1 . 1 1 58 58 LYS HA H 58 3.760 3.760 3.839 -0.079 18431 232 1 1 . 1 1 58 58 LYS CA C 58 59.273 59.273 58.580 0.693 18431 233 1 1 . 1 1 58 58 LYS CB C 58 32.370 32.370 32.121 0.249 18431 234 1 1 . 1 1 58 58 LYS H H 58 7.527 7.527 7.676 -0.149 18431 235 1 1 . 1 1 59 59 LEU N N 59 117.844 117.844 122.190 -4.346 18431 236 1 1 . 1 1 59 59 LEU HA H 59 3.912 3.912 3.915 -0.003 18431 237 1 1 . 1 1 59 59 LEU CA C 59 57.865 57.865 57.949 -0.083 18431 238 1 1 . 1 1 59 59 LEU CB C 59 41.382 41.382 41.893 -0.511 18431 239 1 1 . 1 1 59 59 LEU H H 59 7.570 7.570 7.678 -0.108 18431 240 1 1 . 1 1 60 60 ASP N N 60 117.630 117.630 118.814 -1.184 18431 241 1 1 . 1 1 60 60 ASP HA H 60 4.273 4.273 4.304 -0.031 18431 242 1 1 . 1 1 60 60 ASP CA C 60 57.695 57.695 57.709 -0.014 18431 243 1 1 . 1 1 60 60 ASP CB C 60 42.074 42.074 40.933 1.141 18431 244 1 1 . 1 1 60 60 ASP H H 60 7.849 7.849 8.061 -0.212 18431 245 1 1 . 1 1 61 61 LEU N N 61 116.500 116.500 118.902 -2.402 18431 246 1 1 . 1 1 61 61 LEU HA H 61 3.924 3.924 4.098 -0.174 18431 247 1 1 . 1 1 61 61 LEU CA C 61 57.886 57.886 56.760 1.126 18431 248 1 1 . 1 1 61 61 LEU CB C 61 41.825 41.825 41.687 0.138 18431 249 1 1 . 1 1 61 61 LEU H H 61 7.484 7.484 6.956 0.528 18431 250 1 1 . 1 1 62 62 VAL N N 62 120.681 120.681 119.480 1.201 18431 251 1 1 . 1 1 62 62 VAL HA H 62 3.963 3.963 3.888 0.075 18431 252 1 1 . 1 1 62 62 VAL CA C 62 66.843 66.843 66.644 0.199 18431 253 1 1 . 1 1 62 62 VAL CB C 62 31.954 31.954 31.684 0.270 18431 254 1 1 . 1 1 62 62 VAL H H 62 8.682 8.682 7.703 0.979 18431 255 1 1 . 1 1 63 63 ILE N N 63 122.448 122.448 118.376 4.072 18431 256 1 1 . 1 1 63 63 ILE HA H 63 3.995 3.995 3.849 0.146 18431 257 1 1 . 1 1 63 63 ILE CA C 63 63.777 63.777 63.838 -0.061 18431 258 1 1 . 1 1 63 63 ILE CB C 63 35.707 35.707 36.252 -0.545 18431 259 1 1 . 1 1 63 63 ILE H H 63 8.824 8.824 8.124 0.700 18431 260 1 1 . 1 1 64 64 LYS N N 64 118.898 118.898 119.116 -0.218 18431 261 1 1 . 1 1 64 64 LYS HA H 64 3.889 3.889 4.103 -0.214 18431 262 1 1 . 1 1 64 64 LYS CA C 64 60.416 60.416 59.442 0.974 18431 263 1 1 . 1 1 64 64 LYS CB C 64 32.563 32.563 32.196 0.367 18431 264 1 1 . 1 1 64 64 LYS H H 64 8.368 8.368 7.732 0.636 18431 265 1 1 . 1 1 65 65 TYR N N 65 121.217 121.217 121.522 -0.305 18431 266 1 1 . 1 1 65 65 TYR HA H 65 4.330 4.330 4.318 0.012 18431 267 1 1 . 1 1 65 65 TYR CA C 65 61.779 61.779 60.886 0.893 18431 268 1 1 . 1 1 65 65 TYR CB C 65 38.898 38.898 38.706 0.192 18431 269 1 1 . 1 1 65 65 TYR H H 65 8.200 8.200 7.864 0.336 18431 270 1 1 . 1 1 66 66 MET N N 66 116.741 116.741 118.908 -2.167 18431 271 1 1 . 1 1 66 66 MET HA H 66 3.682 3.682 3.948 -0.266 18431 272 1 1 . 1 1 66 66 MET CA C 66 60.444 60.444 59.456 0.987 18431 273 1 1 . 1 1 66 66 MET CB C 66 33.627 33.627 33.400 0.227 18431 274 1 1 . 1 1 66 66 MET H H 66 8.681 8.681 8.427 0.254 18431 275 1 1 . 1 1 67 67 LYS N N 67 119.826 119.826 118.217 1.609 18431 276 1 1 . 1 1 67 67 LYS HA H 67 2.637 2.637 3.025 -0.388 18431 277 1 1 . 1 1 67 67 LYS CA C 67 59.949 59.949 59.005 0.945 18431 278 1 1 . 1 1 67 67 LYS CB C 67 32.596 32.596 31.784 0.812 18431 279 1 1 . 1 1 67 67 LYS H H 67 8.563 8.563 8.297 0.266 18431 280 1 1 . 1 1 68 68 ARG N N 68 116.343 116.343 118.274 -1.931 18431 281 1 1 . 1 1 68 68 ARG HA H 68 3.859 3.859 4.108 -0.249 18431 282 1 1 . 1 1 68 68 ARG CA C 68 58.254 58.254 58.181 0.074 18431 283 1 1 . 1 1 68 68 ARG CB C 68 29.605 29.605 29.806 -0.201 18431 284 1 1 . 1 1 68 68 ARG H H 68 7.117 7.117 7.501 -0.384 18431 285 1 1 . 1 1 69 69 LEU N N 69 116.573 116.573 121.204 -4.631 18431 286 1 1 . 1 1 69 69 LEU HA H 69 3.847 3.847 3.862 -0.015 18431 287 1 1 . 1 1 69 69 LEU CA C 69 56.861 56.861 57.044 -0.183 18431 288 1 1 . 1 1 69 69 LEU CB C 69 42.950 42.950 41.888 1.062 18431 289 1 1 . 1 1 69 69 LEU H H 69 7.360 7.360 7.401 -0.041 18431 290 1 1 . 1 1 70 70 MET N N 70 115.874 115.874 116.777 -0.903 18431 291 1 1 . 1 1 70 70 MET HA H 70 3.823 3.823 3.807 0.016 18431 292 1 1 . 1 1 70 70 MET CA C 70 59.195 59.195 58.059 1.136 18431 293 1 1 . 1 1 70 70 MET CB C 70 32.315 32.315 31.665 0.650 18431 294 1 1 . 1 1 70 70 MET H H 70 8.769 8.769 8.263 0.506 18431 295 1 1 . 1 1 71 71 GLN N N 71 114.286 114.286 117.344 -3.058 18431 296 1 1 . 1 1 71 71 GLN HA H 71 4.416 4.416 3.959 0.457 18431 297 1 1 . 1 1 71 71 GLN CA C 71 56.527 56.527 58.731 -2.204 18431 298 1 1 . 1 1 71 71 GLN CB C 71 27.446 27.446 28.304 -0.858 18431 299 1 1 . 1 1 71 71 GLN H H 71 7.522 7.522 7.753 -0.231 18431 300 1 1 . 1 1 72 72 GLN N N 72 117.645 117.645 115.928 1.717 18431 301 1 1 . 1 1 72 72 GLN HA H 72 4.198 4.198 4.072 0.126 18431 302 1 1 . 1 1 72 72 GLN CA C 72 56.549 56.549 56.662 -0.113 18431 303 1 1 . 1 1 72 72 GLN CB C 72 28.824 28.824 28.270 0.554 18431 304 1 1 . 1 1 72 72 GLN H H 72 7.279 7.279 7.484 -0.205 18431 305 1 1 . 1 1 73 73 SER N N 73 113.600 113.600 114.960 -1.360 18431 306 1 1 . 1 1 73 73 SER HA H 73 4.504 4.504 4.467 0.037 18431 307 1 1 . 1 1 73 73 SER CA C 73 57.600 57.600 57.784 -0.184 18431 308 1 1 . 1 1 73 73 SER CB C 73 63.542 63.542 64.910 -1.368 18431 309 1 1 . 1 1 73 73 SER H H 73 7.588 7.588 7.426 0.162 18431 310 1 1 . 1 1 74 74 VAL N N 74 121.652 121.652 118.335 3.317 18431 311 1 1 . 1 1 74 74 VAL HA H 74 4.136 4.136 4.212 -0.076 18431 312 1 1 . 1 1 74 74 VAL CA C 74 62.985 62.985 62.352 0.633 18431 313 1 1 . 1 1 74 74 VAL CB C 74 31.797 31.797 32.105 -0.308 18431 314 1 1 . 1 1 74 74 VAL H H 74 8.300 8.300 8.174 0.126 18431 315 1 1 . 1 1 75 75 GLU N N 75 120.481 120.481 121.627 -1.146 18431 316 1 1 . 1 1 75 75 GLU HA H 75 4.415 4.415 4.347 0.068 18431 317 1 1 . 1 1 75 75 GLU CA C 75 56.061 56.061 57.062 -1.001 18431 318 1 1 . 1 1 75 75 GLU CB C 75 29.153 29.153 29.943 -0.790 18431 319 1 1 . 1 1 75 75 GLU H H 75 8.486 8.486 8.358 0.128 18431 320 1 1 . 1 1 76 76 SER HA H 76 4.498 4.498 4.259 0.239 18431 321 1 1 . 1 1 76 76 SER CA C 76 59.426 59.426 61.734 -2.308 18431 322 1 1 . 1 1 76 76 SER CB C 76 64.071 64.071 63.321 0.750 18431 323 1 1 . 1 1 76 76 SER H H 76 8.142 8.142 8.885 -0.743 18431 324 1 1 . 1 1 77 77 VAL N N 77 122.712 122.712 121.264 1.448 18431 325 1 1 . 1 1 77 77 VAL HA H 77 4.036 4.036 3.684 0.352 18431 326 1 1 . 1 1 77 77 VAL CA C 77 64.600 64.600 65.921 -1.321 18431 327 1 1 . 1 1 77 77 VAL CB C 77 30.843 30.843 31.493 -0.650 18431 328 1 1 . 1 1 77 77 VAL H H 77 8.750 8.750 8.093 0.657 18431 329 1 1 . 1 1 78 78 TRP N N 78 121.247 121.247 118.877 2.370 18431 330 1 1 . 1 1 78 78 TRP HA H 78 4.507 4.507 4.344 0.163 18431 331 1 1 . 1 1 78 78 TRP CA C 78 59.753 59.753 60.327 -0.574 18431 332 1 1 . 1 1 78 78 TRP CB C 78 29.332 29.332 29.390 -0.058 18431 333 1 1 . 1 1 78 78 TRP H H 78 7.837 7.837 7.320 0.517 18431 334 1 1 . 1 1 79 79 ASN N N 79 119.032 119.032 118.594 0.438 18431 335 1 1 . 1 1 79 79 ASN HA H 79 4.382 4.382 4.516 -0.134 18431 336 1 1 . 1 1 79 79 ASN CA C 79 57.406 57.406 56.703 0.702 18431 337 1 1 . 1 1 79 79 ASN CB C 79 38.813 38.813 38.468 0.345 18431 338 1 1 . 1 1 79 79 ASN H H 79 7.856 7.856 7.888 -0.032 18431 339 1 1 . 1 1 80 80 MET N N 80 117.280 117.280 118.698 -1.418 18431 340 1 1 . 1 1 80 80 MET HA H 80 4.383 4.383 4.247 0.136 18431 341 1 1 . 1 1 80 80 MET CA C 80 58.111 58.111 59.139 -1.028 18431 342 1 1 . 1 1 80 80 MET CB C 80 32.350 32.350 32.495 -0.145 18431 343 1 1 . 1 1 80 80 MET H H 80 7.765 7.765 8.704 -0.939 18431 344 1 1 . 1 1 81 81 ALA N N 81 123.582 123.582 122.931 0.651 18431 345 1 1 . 1 1 81 81 ALA HA H 81 4.220 4.220 4.101 0.119 18431 346 1 1 . 1 1 81 81 ALA CA C 81 54.997 54.997 55.259 -0.262 18431 347 1 1 . 1 1 81 81 ALA CB C 81 17.615 17.615 18.027 -0.412 18431 348 1 1 . 1 1 81 81 ALA H H 81 8.019 8.019 7.893 0.126 18431 349 1 1 . 1 1 82 82 PHE N N 82 117.853 117.853 119.251 -1.398 18431 350 1 1 . 1 1 82 82 PHE HA H 82 4.201 4.201 4.277 -0.076 18431 351 1 1 . 1 1 82 82 PHE CA C 82 62.679 62.679 60.456 2.223 18431 352 1 1 . 1 1 82 82 PHE CB C 82 38.078 38.078 38.906 -0.828 18431 353 1 1 . 1 1 82 82 PHE H H 82 8.455 8.455 8.502 -0.047 18431 354 1 1 . 1 1 83 83 ASP N N 83 118.244 118.244 119.842 -1.598 18431 355 1 1 . 1 1 83 83 ASP HA H 83 4.250 4.250 3.970 0.280 18431 356 1 1 . 1 1 83 83 ASP CA C 83 57.602 57.602 57.516 0.086 18431 357 1 1 . 1 1 83 83 ASP CB C 83 40.117 40.117 40.703 -0.586 18431 358 1 1 . 1 1 83 83 ASP H H 83 7.615 7.615 7.980 -0.365 18431 359 1 1 . 1 1 84 84 PHE N N 84 120.090 120.090 120.016 0.074 18431 360 1 1 . 1 1 84 84 PHE HA H 84 4.319 4.319 4.242 0.077 18431 361 1 1 . 1 1 84 84 PHE CA C 84 61.110 61.110 61.357 -0.247 18431 362 1 1 . 1 1 84 84 PHE CB C 84 39.225 39.225 39.635 -0.410 18431 363 1 1 . 1 1 84 84 PHE H H 84 7.849 7.849 7.764 0.085 18431 364 1 1 . 1 1 85 85 ILE N N 85 122.915 122.915 120.337 2.578 18431 365 1 1 . 1 1 85 85 ILE HA H 85 3.372 3.372 3.634 -0.262 18431 366 1 1 . 1 1 85 85 ILE CA C 85 65.864 65.864 66.099 -0.235 18431 367 1 1 . 1 1 85 85 ILE CB C 85 38.422 38.422 38.086 0.336 18431 368 1 1 . 1 1 85 85 ILE H H 85 8.687 8.687 8.720 -0.033 18431 369 1 1 . 1 1 86 86 LEU N N 86 119.481 119.481 118.006 1.475 18431 370 1 1 . 1 1 86 86 LEU HA H 86 3.715 3.715 3.945 -0.230 18431 371 1 1 . 1 1 86 86 LEU CA C 86 57.875 57.875 58.271 -0.396 18431 372 1 1 . 1 1 86 86 LEU CB C 86 40.602 40.602 40.795 -0.193 18431 373 1 1 . 1 1 86 86 LEU H H 86 8.682 8.682 8.243 0.439 18431 374 1 1 . 1 1 87 87 ASP N N 87 118.290 118.290 118.650 -0.360 18431 375 1 1 . 1 1 87 87 ASP HA H 87 4.255 4.255 4.228 0.027 18431 376 1 1 . 1 1 87 87 ASP CA C 87 57.604 57.604 56.885 0.719 18431 377 1 1 . 1 1 87 87 ASP CB C 87 40.580 40.580 40.625 -0.045 18431 378 1 1 . 1 1 87 87 ASP H H 87 8.301 8.301 7.575 0.726 18431 379 1 1 . 1 1 88 88 ASN N N 88 115.606 115.606 117.969 -2.363 18431 380 1 1 . 1 1 88 88 ASN HA H 88 4.139 4.139 4.404 -0.265 18431 381 1 1 . 1 1 88 88 ASN CA C 88 57.067 57.067 56.000 1.067 18431 382 1 1 . 1 1 88 88 ASN CB C 88 39.734 39.734 39.002 0.732 18431 383 1 1 . 1 1 88 88 ASN H H 88 7.421 7.421 7.784 -0.363 18431 384 1 1 . 1 1 89 89 VAL N N 89 120.092 120.092 117.168 2.924 18431 385 1 1 . 1 1 89 89 VAL HA H 89 3.421 3.421 3.905 -0.484 18431 386 1 1 . 1 1 89 89 VAL CA C 89 66.777 66.777 66.072 0.705 18431 387 1 1 . 1 1 89 89 VAL CB C 89 31.592 31.592 30.907 0.685 18431 388 1 1 . 1 1 89 89 VAL H H 89 8.367 8.367 7.934 0.433 18431 389 1 1 . 1 1 90 90 GLN N N 90 118.315 118.315 118.598 -0.283 18431 390 1 1 . 1 1 90 90 GLN HA H 90 4.427 4.427 4.151 0.276 18431 391 1 1 . 1 1 90 90 GLN CA C 90 58.918 58.918 58.365 0.553 18431 392 1 1 . 1 1 90 90 GLN CB C 90 28.471 28.471 28.603 -0.132 18431 393 1 1 . 1 1 90 90 GLN H H 90 8.780 8.780 7.918 0.862 18431 394 1 1 . 1 1 91 91 VAL N N 91 118.757 118.757 120.436 -1.679 18431 395 1 1 . 1 1 91 91 VAL HA H 91 3.720 3.720 3.656 0.064 18431 396 1 1 . 1 1 91 91 VAL CA C 91 66.303 66.303 66.436 -0.133 18431 397 1 1 . 1 1 91 91 VAL CB C 91 31.641 31.641 31.934 -0.293 18431 398 1 1 . 1 1 91 91 VAL H H 91 7.640 7.640 7.603 0.037 18431 399 1 1 . 1 1 92 92 VAL N N 92 120.289 120.289 120.039 0.250 18431 400 1 1 . 1 1 92 92 VAL HA H 92 3.728 3.728 3.717 0.011 18431 401 1 1 . 1 1 92 92 VAL CA C 92 66.270 66.270 66.144 0.125 18431 402 1 1 . 1 1 92 92 VAL CB C 92 31.354 31.354 31.725 -0.371 18431 403 1 1 . 1 1 92 92 VAL H H 92 7.382 7.382 7.830 -0.448 18431 404 1 1 . 1 1 93 93 LEU N N 93 123.817 123.817 117.078 6.739 18431 405 1 1 . 1 1 93 93 LEU HA H 93 4.038 4.038 4.310 -0.272 18431 406 1 1 . 1 1 93 93 LEU CA C 93 58.777 58.777 57.881 0.896 18431 407 1 1 . 1 1 93 93 LEU CB C 93 41.790 41.790 41.384 0.406 18431 408 1 1 . 1 1 93 93 LEU H H 93 8.813 8.813 7.424 1.389 18431 409 1 1 . 1 1 94 94 GLN N N 94 119.660 119.660 119.515 0.145 18431 410 1 1 . 1 1 94 94 GLN HA H 94 3.990 3.990 4.282 -0.292 18431 411 1 1 . 1 1 94 94 GLN CA C 94 58.977 58.977 58.554 0.423 18431 412 1 1 . 1 1 94 94 GLN CB C 94 28.270 28.270 28.448 -0.178 18431 413 1 1 . 1 1 94 94 GLN H H 94 8.469 8.469 7.776 0.693 18431 414 1 1 . 1 1 95 95 GLN N N 95 117.593 117.593 116.927 0.666 18431 415 1 1 . 1 1 95 95 GLN HA H 95 4.068 4.068 4.149 -0.081 18431 416 1 1 . 1 1 95 95 GLN CA C 95 57.991 57.991 58.158 -0.167 18431 417 1 1 . 1 1 95 95 GLN CB C 95 28.548 28.548 28.768 -0.220 18431 418 1 1 . 1 1 95 95 GLN H H 95 8.088 8.088 7.669 0.419 18431 419 1 1 . 1 1 96 96 THR N N 96 113.065 113.065 112.067 0.998 18431 420 1 1 . 1 1 96 96 THR HA H 96 4.003 4.003 4.119 -0.116 18431 421 1 1 . 1 1 96 96 THR CA C 96 64.857 64.857 64.277 0.580 18431 422 1 1 . 1 1 96 96 THR CB C 96 69.618 69.618 69.361 0.257 18431 423 1 1 . 1 1 96 96 THR H H 96 7.970 7.970 7.664 0.306 18431 424 1 1 . 1 1 97 97 TYR N N 97 118.178 118.178 118.452 -0.274 18431 425 1 1 . 1 1 97 97 TYR HA H 97 4.717 4.717 4.518 0.199 18431 426 1 1 . 1 1 97 97 TYR CA C 97 58.312 58.312 59.360 -1.048 18431 427 1 1 . 1 1 97 97 TYR CB C 97 40.223 40.223 39.812 0.411 18431 428 1 1 . 1 1 97 97 TYR H H 97 8.438 8.438 8.194 0.244 18431 429 1 1 . 1 1 98 98 GLY N N 98 109.735 109.735 105.002 4.733 18431 430 1 1 . 1 1 98 98 GLY CA C 98 45.908 45.908 44.970 0.938 18431 431 1 1 . 1 1 98 98 GLY H H 98 8.014 8.014 7.993 0.021 18431 432 1 1 . 1 1 99 99 SER N N 99 114.137 114.137 114.583 -0.446 18431 433 1 1 . 1 1 99 99 SER HA H 99 4.642 4.642 4.770 -0.128 18431 434 1 1 . 1 1 99 99 SER CA C 99 57.226 57.226 56.672 0.554 18431 435 1 1 . 1 1 99 99 SER CB C 99 64.294 64.294 65.631 -1.337 18431 436 1 1 . 1 1 99 99 SER H H 99 7.666 7.666 7.979 -0.313 18431 437 1 1 . 1 1 100 100 THR N N 100 110.514 110.514 112.129 -1.615 18431 438 1 1 . 1 1 100 100 THR HA H 100 4.424 4.424 4.471 -0.047 18431 439 1 1 . 1 1 100 100 THR CA C 100 60.964 60.964 60.730 0.234 18431 440 1 1 . 1 1 100 100 THR CB C 100 70.303 70.303 71.207 -0.904 18431 441 1 1 . 1 1 100 100 THR H H 100 7.899 7.899 8.103 -0.204 18431 442 1 1 . 1 1 101 101 LEU N N 101 124.047 124.047 121.268 2.779 18431 443 1 1 . 1 1 101 101 LEU HA H 101 4.313 4.313 4.478 -0.165 18431 444 1 1 . 1 1 101 101 LEU CA C 101 54.930 54.930 54.244 0.686 18431 445 1 1 . 1 1 101 101 LEU CB C 101 42.501 42.501 42.925 -0.424 18431 446 1 1 . 1 1 101 101 LEU H H 101 8.847 8.847 8.491 0.356 18431 447 1 1 . 1 1 102 102 LYS N N 102 124.883 124.883 121.449 3.434 18431 448 1 1 . 1 1 102 102 LYS HA H 102 4.415 4.415 4.348 0.067 18431 449 1 1 . 1 1 102 102 LYS CA C 102 55.588 55.588 55.972 -0.384 18431 450 1 1 . 1 1 102 102 LYS CB C 102 32.596 32.596 32.896 -0.300 18431 451 1 1 . 1 1 102 102 LYS H H 102 8.578 8.578 8.334 0.244 18431 452 1 1 . 1 1 103 103 VAL N N 103 122.753 122.753 128.060 -5.307 18431 453 1 1 . 1 1 103 103 VAL HA H 103 4.237 4.237 4.410 -0.173 18431 454 1 1 . 1 1 103 103 VAL CA C 103 61.956 61.956 60.870 1.086 18431 455 1 1 . 1 1 103 103 VAL CB C 103 32.747 32.747 31.887 0.860 18431 456 1 1 . 1 1 103 103 VAL H H 103 8.348 8.348 8.487 -0.139 18431 457 1 2 . 1 1 9 9 ALA N N 9 123.345 123.345 124.306 -0.961 18431 458 1 2 . 1 1 9 9 ALA HA H 9 4.549 4.549 4.461 0.088 18431 459 1 2 . 1 1 9 9 ALA CA C 9 50.151 50.151 51.474 -1.323 18431 460 1 2 . 1 1 9 9 ALA CB C 9 18.185 18.185 18.730 -0.545 18431 461 1 2 . 1 1 9 9 ALA H H 9 7.992 7.992 8.071 -0.079 18431 462 1 2 . 1 1 10 10 PRO HA H 10 4.299 4.299 4.397 -0.098 18431 463 1 2 . 1 1 10 10 PRO CA C 10 62.937 62.937 62.041 0.896 18431 464 1 2 . 1 1 10 10 PRO CB C 10 31.902 31.902 32.570 -0.668 18431 465 1 2 . 1 1 11 11 ASN N N 11 117.877 117.877 118.616 -0.739 18431 466 1 2 . 1 1 11 11 ASN HA H 11 4.646 4.646 4.624 0.022 18431 467 1 2 . 1 1 11 11 ASN CA C 11 53.077 53.077 53.046 0.031 18431 468 1 2 . 1 1 11 11 ASN CB C 11 38.590 38.590 38.264 0.326 18431 469 1 2 . 1 1 11 11 ASN H H 11 8.467 8.467 8.448 0.019 18431 470 1 2 . 1 1 12 12 LEU N N 12 122.874 122.874 125.251 -2.377 18431 471 1 2 . 1 1 12 12 LEU HA H 12 4.290 4.290 4.530 -0.240 18431 472 1 2 . 1 1 12 12 LEU CA C 12 55.170 55.170 54.215 0.955 18431 473 1 2 . 1 1 12 12 LEU CB C 12 42.131 42.131 43.109 -0.978 18431 474 1 2 . 1 1 12 12 LEU H H 12 8.196 8.196 7.852 0.344 18431 475 1 2 . 1 1 13 13 ALA N N 13 123.854 123.854 126.583 -2.729 18431 476 1 2 . 1 1 13 13 ALA HA H 13 4.243 4.243 4.205 0.038 18431 477 1 2 . 1 1 13 13 ALA CA C 13 52.672 52.672 52.618 0.054 18431 478 1 2 . 1 1 13 13 ALA CB C 13 18.923 18.923 19.081 -0.158 18431 479 1 2 . 1 1 13 13 ALA H H 13 8.214 8.214 8.357 -0.143 18431 480 1 2 . 1 1 14 14 GLY N N 14 107.993 107.993 105.823 2.170 18431 481 1 2 . 1 1 14 14 GLY CA C 14 44.989 44.989 44.641 0.348 18431 482 1 2 . 1 1 14 14 GLY H H 14 8.246 8.246 8.746 -0.500 18431 483 1 2 . 1 1 15 15 ALA N N 15 123.594 123.594 121.378 2.216 18431 484 1 2 . 1 1 15 15 ALA HA H 15 4.330 4.330 4.018 0.312 18431 485 1 2 . 1 1 15 15 ALA CA C 15 52.147 52.147 52.355 -0.208 18431 486 1 2 . 1 1 15 15 ALA CB C 15 18.941 18.941 16.729 2.212 18431 487 1 2 . 1 1 15 15 ALA H H 15 8.017 8.017 8.154 -0.137 18431 488 1 2 . 1 1 16 16 VAL N N 16 119.010 119.010 114.632 4.378 18431 489 1 2 . 1 1 16 16 VAL HA H 16 4.036 4.036 3.964 0.072 18431 490 1 2 . 1 1 16 16 VAL CA C 16 62.127 62.127 64.139 -2.013 18431 491 1 2 . 1 1 16 16 VAL CB C 16 32.727 32.727 31.985 0.742 18431 492 1 2 . 1 1 16 16 VAL H H 16 8.060 8.060 8.200 -0.140 18431 493 1 2 . 1 1 17 17 GLU N N 17 124.211 124.211 118.566 5.645 18431 494 1 2 . 1 1 17 17 GLU HA H 17 4.429 4.429 4.610 -0.181 18431 495 1 2 . 1 1 17 17 GLU CA C 17 57.429 57.429 54.726 2.703 18431 496 1 2 . 1 1 17 17 GLU CB C 17 29.421 29.421 31.223 -1.802 18431 497 1 2 . 1 1 17 17 GLU H H 17 8.436 8.436 7.726 0.710 18431 498 1 2 . 1 1 18 18 PHE HA H 18 4.291 4.291 4.199 0.092 18431 499 1 2 . 1 1 18 18 PHE CA C 18 60.955 60.955 60.543 0.412 18431 500 1 2 . 1 1 18 18 PHE CB C 18 38.464 38.464 39.092 -0.628 18431 501 1 2 . 1 1 19 19 SER N N 19 112.147 112.147 113.009 -0.862 18431 502 1 2 . 1 1 19 19 SER HA H 19 3.659 3.659 3.859 -0.200 18431 503 1 2 . 1 1 19 19 SER CA C 19 61.576 61.576 61.232 0.344 18431 504 1 2 . 1 1 19 19 SER CB C 19 61.649 61.649 62.271 -0.622 18431 505 1 2 . 1 1 19 19 SER H H 19 8.871 8.871 8.283 0.588 18431 506 1 2 . 1 1 20 20 ASP N N 20 120.916 120.916 122.001 -1.085 18431 507 1 2 . 1 1 20 20 ASP HA H 20 4.492 4.492 4.617 -0.125 18431 508 1 2 . 1 1 20 20 ASP CA C 20 56.696 56.696 56.507 0.189 18431 509 1 2 . 1 1 20 20 ASP CB C 20 40.543 40.543 40.758 -0.214 18431 510 1 2 . 1 1 20 20 ASP H H 20 7.019 7.019 7.688 -0.669 18431 511 1 2 . 1 1 21 21 VAL HA H 21 3.224 3.224 3.603 -0.379 18431 512 1 2 . 1 1 21 21 VAL CA C 21 66.801 66.801 66.442 0.360 18431 513 1 2 . 1 1 21 21 VAL CB C 21 31.741 31.741 31.652 0.089 18431 514 1 2 . 1 1 22 22 LYS HA H 22 3.435 3.435 3.931 -0.496 18431 515 1 2 . 1 1 22 22 LYS CA C 22 60.282 60.282 59.298 0.984 18431 516 1 2 . 1 1 22 22 LYS CB C 22 31.283 31.283 31.272 0.011 18431 517 1 2 . 1 1 23 23 THR N N 23 116.224 116.224 117.738 -1.514 18431 518 1 2 . 1 1 23 23 THR HA H 23 3.796 3.796 4.143 -0.347 18431 519 1 2 . 1 1 23 23 THR CA C 23 66.591 66.591 66.256 0.335 18431 520 1 2 . 1 1 23 23 THR CB C 23 68.361 68.361 68.495 -0.134 18431 521 1 2 . 1 1 23 23 THR H H 23 7.391 7.391 7.394 -0.003 18431 522 1 2 . 1 1 24 24 LEU HA H 24 4.022 4.022 4.252 -0.230 18431 523 1 2 . 1 1 24 24 LEU CA C 24 57.911 57.911 58.050 -0.139 18431 524 1 2 . 1 1 24 24 LEU CB C 24 42.110 42.110 41.000 1.110 18431 525 1 2 . 1 1 24 24 LEU H H 24 7.699 7.699 7.663 0.036 18431 526 1 2 . 1 1 25 25 LEU N N 25 118.389 118.389 120.253 -1.864 18431 527 1 2 . 1 1 25 25 LEU HA H 25 4.135 4.135 4.143 -0.008 18431 528 1 2 . 1 1 25 25 LEU CA C 25 57.864 57.864 57.943 -0.079 18431 529 1 2 . 1 1 25 25 LEU CB C 25 42.653 42.653 41.706 0.946 18431 530 1 2 . 1 1 25 25 LEU H H 25 8.331 8.331 7.684 0.647 18431 531 1 2 . 1 1 26 26 LYS N N 26 118.433 118.433 119.413 -0.980 18431 532 1 2 . 1 1 26 26 LYS HA H 26 3.833 3.833 3.930 -0.097 18431 533 1 2 . 1 1 26 26 LYS CA C 26 60.095 60.095 59.087 1.008 18431 534 1 2 . 1 1 26 26 LYS CB C 26 31.623 31.623 32.126 -0.503 18431 535 1 2 . 1 1 26 26 LYS H H 26 8.464 8.464 8.284 0.180 18431 536 1 2 . 1 1 27 27 GLU N N 27 120.838 120.838 120.225 0.613 18431 537 1 2 . 1 1 27 27 GLU HA H 27 3.945 3.945 4.252 -0.307 18431 538 1 2 . 1 1 27 27 GLU CA C 27 59.509 59.509 58.689 0.820 18431 539 1 2 . 1 1 27 27 GLU CB C 27 29.199 29.199 29.875 -0.676 18431 540 1 2 . 1 1 27 27 GLU H H 27 8.246 8.246 8.442 -0.196 18431 541 1 2 . 1 1 28 28 TRP N N 28 122.200 122.200 121.071 1.129 18431 542 1 2 . 1 1 28 28 TRP HA H 28 4.597 4.597 4.615 -0.018 18431 543 1 2 . 1 1 28 28 TRP CA C 28 59.443 59.443 60.884 -1.441 18431 544 1 2 . 1 1 28 28 TRP CB C 28 29.083 29.083 29.563 -0.480 18431 545 1 2 . 1 1 28 28 TRP H H 28 8.143 8.143 8.058 0.085 18431 546 1 2 . 1 1 29 29 ILE N N 29 114.954 114.954 116.964 -2.010 18431 547 1 2 . 1 1 29 29 ILE HA H 29 2.742 2.742 3.555 -0.813 18431 548 1 2 . 1 1 29 29 ILE CA C 29 62.759 62.759 62.878 -0.119 18431 549 1 2 . 1 1 29 29 ILE CB C 29 37.992 37.992 37.986 0.006 18431 550 1 2 . 1 1 29 29 ILE H H 29 7.999 7.999 7.309 0.690 18431 551 1 2 . 1 1 30 30 THR N N 30 106.869 106.869 114.049 -7.180 18431 552 1 2 . 1 1 30 30 THR HA H 30 4.117 4.117 4.179 -0.062 18431 553 1 2 . 1 1 30 30 THR CA C 30 63.447 63.447 64.543 -1.096 18431 554 1 2 . 1 1 30 30 THR CB C 30 70.045 70.045 69.124 0.921 18431 555 1 2 . 1 1 30 30 THR H H 30 7.622 7.622 7.671 -0.049 18431 556 1 2 . 1 1 31 31 THR N N 31 111.890 111.890 114.691 -2.801 18431 557 1 2 . 1 1 31 31 THR HA H 31 4.503 4.503 4.146 0.357 18431 558 1 2 . 1 1 31 31 THR CA C 31 63.231 63.231 64.654 -1.423 18431 559 1 2 . 1 1 31 31 THR CB C 31 70.556 70.556 69.141 1.415 18431 560 1 2 . 1 1 31 31 THR H H 31 7.588 7.588 7.888 -0.300 18431 561 1 2 . 1 1 32 32 ILE N N 32 123.663 123.663 121.433 2.230 18431 562 1 2 . 1 1 32 32 ILE HA H 32 4.499 4.499 4.318 0.181 18431 563 1 2 . 1 1 32 32 ILE CA C 32 59.426 59.426 59.655 -0.229 18431 564 1 2 . 1 1 32 32 ILE CB C 32 37.378 37.378 38.761 -1.383 18431 565 1 2 . 1 1 32 32 ILE H H 32 7.929 7.929 7.528 0.401 18431 566 1 2 . 1 1 33 33 SER N N 33 119.544 119.544 116.834 2.710 18431 567 1 2 . 1 1 33 33 SER HA H 33 4.523 4.523 4.702 -0.179 18431 568 1 2 . 1 1 33 33 SER CA C 33 59.189 59.189 58.420 0.769 18431 569 1 2 . 1 1 33 33 SER CB C 33 63.838 63.838 65.221 -1.383 18431 570 1 2 . 1 1 33 33 SER H H 33 8.418 8.418 8.646 -0.228 18431 571 1 2 . 1 1 34 34 ASP HA H 34 4.821 4.821 4.965 -0.144 18431 572 1 2 . 1 1 34 34 ASP CA C 34 51.168 51.168 51.695 -0.527 18431 573 1 2 . 1 1 34 34 ASP CB C 34 41.139 41.139 41.573 -0.434 18431 574 1 2 . 1 1 34 34 ASP H H 34 7.730 7.730 8.043 -0.313 18431 575 1 2 . 1 1 35 35 PRO HA H 35 4.167 4.167 4.450 -0.283 18431 576 1 2 . 1 1 35 35 PRO CA C 35 62.085 62.085 62.855 -0.770 18431 577 1 2 . 1 1 35 35 PRO CB C 35 31.767 31.767 32.814 -1.047 18431 578 1 2 . 1 1 36 36 MET N N 36 121.309 121.309 117.358 3.951 18431 579 1 2 . 1 1 36 36 MET HA H 36 4.565 4.565 4.758 -0.193 18431 580 1 2 . 1 1 36 36 MET CA C 36 53.867 53.867 53.901 -0.034 18431 581 1 2 . 1 1 36 36 MET CB C 36 32.411 32.411 34.754 -2.343 18431 582 1 2 . 1 1 36 36 MET H H 36 9.165 9.165 8.196 0.969 18431 583 1 2 . 1 1 37 37 GLU N N 37 125.284 125.284 120.175 5.109 18431 584 1 2 . 1 1 37 37 GLU HA H 37 3.744 3.744 3.868 -0.124 18431 585 1 2 . 1 1 37 37 GLU CA C 37 60.307 60.307 59.470 0.837 18431 586 1 2 . 1 1 37 37 GLU CB C 37 29.448 29.448 28.890 0.558 18431 587 1 2 . 1 1 37 37 GLU H H 37 9.034 9.034 8.900 0.134 18431 588 1 2 . 1 1 38 38 GLU N N 38 116.000 116.000 117.773 -1.773 18431 589 1 2 . 1 1 38 38 GLU HA H 38 4.003 4.003 4.056 -0.053 18431 590 1 2 . 1 1 38 38 GLU CA C 38 59.588 59.588 58.833 0.755 18431 591 1 2 . 1 1 38 38 GLU CB C 38 29.280 29.280 28.836 0.444 18431 592 1 2 . 1 1 38 38 GLU H H 38 9.356 9.356 8.752 0.604 18431 593 1 2 . 1 1 39 39 ASP N N 39 118.974 118.974 120.241 -1.267 18431 594 1 2 . 1 1 39 39 ASP HA H 39 4.493 4.493 4.507 -0.014 18431 595 1 2 . 1 1 39 39 ASP CA C 39 57.231 57.231 56.831 0.400 18431 596 1 2 . 1 1 39 39 ASP CB C 39 41.226 41.226 40.908 0.318 18431 597 1 2 . 1 1 39 39 ASP H H 39 7.169 7.169 8.076 -0.907 18431 598 1 2 . 1 1 40 40 ILE N N 40 120.269 120.269 119.433 0.836 18431 599 1 2 . 1 1 40 40 ILE HA H 40 3.845 3.845 3.964 -0.119 18431 600 1 2 . 1 1 40 40 ILE CA C 40 65.345 65.345 64.529 0.816 18431 601 1 2 . 1 1 40 40 ILE CB C 40 37.500 37.500 38.089 -0.589 18431 602 1 2 . 1 1 40 40 ILE H H 40 7.766 7.766 7.487 0.279 18431 603 1 2 . 1 1 41 41 LEU N N 41 118.715 118.715 119.713 -0.998 18431 604 1 2 . 1 1 41 41 LEU HA H 41 4.131 4.131 4.090 0.041 18431 605 1 2 . 1 1 41 41 LEU CA C 41 57.835 57.835 57.674 0.161 18431 606 1 2 . 1 1 41 41 LEU CB C 41 40.819 40.819 41.297 -0.478 18431 607 1 2 . 1 1 41 41 LEU H H 41 8.726 8.726 7.563 1.163 18431 608 1 2 . 1 1 42 42 GLN N N 42 119.539 119.539 119.062 0.477 18431 609 1 2 . 1 1 42 42 GLN HA H 42 4.177 4.177 4.062 0.115 18431 610 1 2 . 1 1 42 42 GLN CA C 42 59.241 59.241 58.696 0.545 18431 611 1 2 . 1 1 42 42 GLN CB C 42 28.518 28.518 28.209 0.309 18431 612 1 2 . 1 1 42 42 GLN H H 42 7.768 7.768 7.906 -0.138 18431 613 1 2 . 1 1 43 43 VAL N N 43 121.194 121.194 115.986 5.208 18431 614 1 2 . 1 1 43 43 VAL HA H 43 3.787 3.787 3.731 0.056 18431 615 1 2 . 1 1 43 43 VAL CA C 43 66.760 66.760 65.940 0.820 18431 616 1 2 . 1 1 43 43 VAL CB C 43 31.423 31.423 30.915 0.508 18431 617 1 2 . 1 1 43 43 VAL H H 43 7.712 7.712 7.362 0.350 18431 618 1 2 . 1 1 44 44 VAL N N 44 120.876 120.876 120.499 0.377 18431 619 1 2 . 1 1 44 44 VAL HA H 44 3.422 3.422 3.767 -0.345 18431 620 1 2 . 1 1 44 44 VAL CA C 44 67.910 67.910 66.217 1.693 18431 621 1 2 . 1 1 44 44 VAL CB C 44 31.392 31.392 30.823 0.569 18431 622 1 2 . 1 1 44 44 VAL H H 44 8.232 8.232 7.289 0.943 18431 623 1 2 . 1 1 45 45 ARG N N 45 120.934 120.934 120.396 0.538 18431 624 1 2 . 1 1 45 45 ARG HA H 45 4.148 4.148 4.028 0.120 18431 625 1 2 . 1 1 45 45 ARG CA C 45 58.593 58.593 59.155 -0.562 18431 626 1 2 . 1 1 45 45 ARG CB C 45 29.608 29.608 29.562 0.046 18431 627 1 2 . 1 1 45 45 ARG H H 45 8.489 8.489 7.786 0.703 18431 628 1 2 . 1 1 46 46 TYR N N 46 120.548 120.548 121.487 -0.939 18431 629 1 2 . 1 1 46 46 TYR HA H 46 4.547 4.547 4.273 0.274 18431 630 1 2 . 1 1 46 46 TYR CA C 46 60.926 60.926 61.213 -0.287 18431 631 1 2 . 1 1 46 46 TYR CB C 46 38.447 38.447 37.842 0.605 18431 632 1 2 . 1 1 46 46 TYR H H 46 7.870 7.870 7.623 0.247 18431 633 1 2 . 1 1 47 47 CYS N N 47 115.132 115.132 117.408 -2.276 18431 634 1 2 . 1 1 47 47 CYS HA H 47 3.738 3.738 3.694 0.044 18431 635 1 2 . 1 1 47 47 CYS CA C 47 64.313 64.313 63.645 0.668 18431 636 1 2 . 1 1 47 47 CYS CB C 47 27.744 27.744 27.817 -0.073 18431 637 1 2 . 1 1 47 47 CYS H H 47 8.109 8.109 7.768 0.341 18431 638 1 2 . 1 1 48 48 THR N N 48 114.153 114.153 115.755 -1.602 18431 639 1 2 . 1 1 48 48 THR HA H 48 3.877 3.877 4.060 -0.183 18431 640 1 2 . 1 1 48 48 THR CA C 48 66.755 66.755 66.371 0.384 18431 641 1 2 . 1 1 48 48 THR CB C 48 67.593 67.593 67.929 -0.336 18431 642 1 2 . 1 1 48 48 THR H H 48 8.776 8.776 8.381 0.395 18431 643 1 2 . 1 1 49 49 ASP N N 49 126.528 126.528 121.123 5.405 18431 644 1 2 . 1 1 49 49 ASP HA H 49 4.425 4.425 4.520 -0.095 18431 645 1 2 . 1 1 49 49 ASP CA C 49 57.688 57.688 56.820 0.868 18431 646 1 2 . 1 1 49 49 ASP CB C 49 39.249 39.249 40.565 -1.316 18431 647 1 2 . 1 1 49 49 ASP H H 49 8.697 8.697 8.089 0.608 18431 648 1 2 . 1 1 50 50 LEU HA H 50 3.924 3.924 3.937 -0.013 18431 649 1 2 . 1 1 50 50 LEU CA C 50 58.157 58.157 57.597 0.560 18431 650 1 2 . 1 1 50 50 LEU CB C 50 41.408 41.408 41.964 -0.555 18431 651 1 2 . 1 1 51 51 ILE N N 51 118.832 118.832 116.872 1.960 18431 652 1 2 . 1 1 51 51 ILE HA H 51 3.417 3.417 3.720 -0.303 18431 653 1 2 . 1 1 51 51 ILE CA C 51 66.261 66.261 64.800 1.461 18431 654 1 2 . 1 1 51 51 ILE CB C 51 37.691 37.691 37.488 0.203 18431 655 1 2 . 1 1 51 51 ILE H H 51 7.639 7.639 7.352 0.287 18431 656 1 2 . 1 1 52 52 GLU N N 52 123.247 123.247 117.860 5.387 18431 657 1 2 . 1 1 52 52 GLU HA H 52 4.001 4.001 4.181 -0.180 18431 658 1 2 . 1 1 52 52 GLU CA C 52 59.592 59.592 58.274 1.318 18431 659 1 2 . 1 1 52 52 GLU CB C 52 29.068 29.068 29.274 -0.206 18431 660 1 2 . 1 1 52 52 GLU H H 52 8.506 8.506 8.077 0.429 18431 661 1 2 . 1 1 53 53 GLU N N 53 116.384 116.384 116.401 -0.017 18431 662 1 2 . 1 1 53 53 GLU HA H 53 4.294 4.294 4.444 -0.150 18431 663 1 2 . 1 1 53 53 GLU CA C 53 55.907 55.907 55.864 0.043 18431 664 1 2 . 1 1 53 53 GLU CB C 53 29.710 29.710 29.612 0.098 18431 665 1 2 . 1 1 53 53 GLU H H 53 7.716 7.716 7.680 0.036 18431 666 1 2 . 1 1 54 54 LYS N N 54 116.934 116.934 114.597 2.337 18431 667 1 2 . 1 1 54 54 LYS HA H 54 3.662 3.662 3.964 -0.302 18431 668 1 2 . 1 1 54 54 LYS CA C 54 57.278 57.278 57.971 -0.693 18431 669 1 2 . 1 1 54 54 LYS CB C 54 29.785 29.785 30.145 -0.360 18431 670 1 2 . 1 1 54 54 LYS H H 54 8.089 8.089 7.470 0.619 18431 671 1 2 . 1 1 55 55 ASP N N 55 122.549 122.549 119.249 3.300 18431 672 1 2 . 1 1 55 55 ASP HA H 55 5.058 5.058 4.797 0.261 18431 673 1 2 . 1 1 55 55 ASP CA C 55 51.306 51.306 53.141 -1.835 18431 674 1 2 . 1 1 55 55 ASP CB C 55 38.856 38.856 40.482 -1.626 18431 675 1 2 . 1 1 55 55 ASP H H 55 8.497 8.497 8.316 0.181 18431 676 1 2 . 1 1 56 56 LEU N N 56 119.627 119.627 117.862 1.765 18431 677 1 2 . 1 1 56 56 LEU HA H 56 3.901 3.901 4.263 -0.362 18431 678 1 2 . 1 1 56 56 LEU CA C 56 56.528 56.528 55.704 0.824 18431 679 1 2 . 1 1 56 56 LEU CB C 56 40.034 40.034 40.292 -0.258 18431 680 1 2 . 1 1 56 56 LEU H H 56 7.578 7.578 7.965 -0.387 18431 681 1 2 . 1 1 57 57 GLU N N 57 121.433 121.433 120.589 0.844 18431 682 1 2 . 1 1 57 57 GLU HA H 57 4.041 4.041 3.902 0.139 18431 683 1 2 . 1 1 57 57 GLU CA C 57 59.321 59.321 59.693 -0.372 18431 684 1 2 . 1 1 57 57 GLU CB C 57 29.229 29.229 28.902 0.327 18431 685 1 2 . 1 1 57 57 GLU H H 57 8.614 8.614 8.447 0.167 18431 686 1 2 . 1 1 58 58 LYS N N 58 119.832 119.832 117.505 2.327 18431 687 1 2 . 1 1 58 58 LYS HA H 58 3.760 3.760 4.006 -0.246 18431 688 1 2 . 1 1 58 58 LYS CA C 58 59.273 59.273 57.522 1.751 18431 689 1 2 . 1 1 58 58 LYS CB C 58 32.370 32.370 31.873 0.497 18431 690 1 2 . 1 1 58 58 LYS H H 58 7.527 7.527 7.389 0.138 18431 691 1 2 . 1 1 59 59 LEU N N 59 117.844 117.844 121.860 -4.016 18431 692 1 2 . 1 1 59 59 LEU HA H 59 3.912 3.912 4.036 -0.124 18431 693 1 2 . 1 1 59 59 LEU CA C 59 57.865 57.865 57.847 0.018 18431 694 1 2 . 1 1 59 59 LEU CB C 59 41.382 41.382 41.459 -0.077 18431 695 1 2 . 1 1 59 59 LEU H H 59 7.570 7.570 7.650 -0.080 18431 696 1 2 . 1 1 60 60 ASP N N 60 117.630 117.630 118.614 -0.984 18431 697 1 2 . 1 1 60 60 ASP HA H 60 4.273 4.273 4.299 -0.026 18431 698 1 2 . 1 1 60 60 ASP CA C 60 57.695 57.695 57.410 0.285 18431 699 1 2 . 1 1 60 60 ASP CB C 60 42.074 42.074 40.767 1.307 18431 700 1 2 . 1 1 60 60 ASP H H 60 7.849 7.849 8.090 -0.241 18431 701 1 2 . 1 1 61 61 LEU N N 61 116.500 116.500 118.140 -1.640 18431 702 1 2 . 1 1 61 61 LEU HA H 61 3.924 3.924 4.136 -0.212 18431 703 1 2 . 1 1 61 61 LEU CA C 61 57.886 57.886 56.986 0.900 18431 704 1 2 . 1 1 61 61 LEU CB C 61 41.825 41.825 41.576 0.249 18431 705 1 2 . 1 1 61 61 LEU H H 61 7.484 7.484 7.238 0.246 18431 706 1 2 . 1 1 62 62 VAL N N 62 120.681 120.681 119.109 1.572 18431 707 1 2 . 1 1 62 62 VAL HA H 62 3.963 3.963 3.971 -0.008 18431 708 1 2 . 1 1 62 62 VAL CA C 62 66.843 66.843 65.903 0.940 18431 709 1 2 . 1 1 62 62 VAL CB C 62 31.954 31.954 31.231 0.723 18431 710 1 2 . 1 1 62 62 VAL H H 62 8.682 8.682 7.273 1.409 18431 711 1 2 . 1 1 63 63 ILE N N 63 122.448 122.448 119.005 3.443 18431 712 1 2 . 1 1 63 63 ILE HA H 63 3.995 3.995 3.849 0.146 18431 713 1 2 . 1 1 63 63 ILE CA C 63 63.777 63.777 64.427 -0.650 18431 714 1 2 . 1 1 63 63 ILE CB C 63 35.707 35.707 36.757 -1.050 18431 715 1 2 . 1 1 63 63 ILE H H 63 8.824 8.824 8.430 0.394 18431 716 1 2 . 1 1 64 64 LYS N N 64 118.898 118.898 118.821 0.077 18431 717 1 2 . 1 1 64 64 LYS HA H 64 3.889 3.889 4.126 -0.237 18431 718 1 2 . 1 1 64 64 LYS CA C 64 60.416 60.416 59.501 0.915 18431 719 1 2 . 1 1 64 64 LYS CB C 64 32.563 32.563 32.117 0.446 18431 720 1 2 . 1 1 64 64 LYS H H 64 8.368 8.368 7.764 0.604 18431 721 1 2 . 1 1 65 65 TYR N N 65 121.217 121.217 121.348 -0.131 18431 722 1 2 . 1 1 65 65 TYR HA H 65 4.330 4.330 4.347 -0.017 18431 723 1 2 . 1 1 65 65 TYR CA C 65 61.779 61.779 60.744 1.035 18431 724 1 2 . 1 1 65 65 TYR CB C 65 38.898 38.898 38.823 0.075 18431 725 1 2 . 1 1 65 65 TYR H H 65 8.200 8.200 7.550 0.650 18431 726 1 2 . 1 1 66 66 MET N N 66 116.741 116.741 118.680 -1.939 18431 727 1 2 . 1 1 66 66 MET HA H 66 3.682 3.682 4.006 -0.324 18431 728 1 2 . 1 1 66 66 MET CA C 66 60.444 60.444 59.348 1.096 18431 729 1 2 . 1 1 66 66 MET CB C 66 33.627 33.627 33.339 0.288 18431 730 1 2 . 1 1 66 66 MET H H 66 8.681 8.681 8.710 -0.029 18431 731 1 2 . 1 1 67 67 LYS N N 67 119.826 119.826 117.973 1.853 18431 732 1 2 . 1 1 67 67 LYS HA H 67 2.637 2.637 3.074 -0.437 18431 733 1 2 . 1 1 67 67 LYS CA C 67 59.949 59.949 59.075 0.874 18431 734 1 2 . 1 1 67 67 LYS CB C 67 32.596 32.596 31.631 0.965 18431 735 1 2 . 1 1 67 67 LYS H H 67 8.563 8.563 8.121 0.442 18431 736 1 2 . 1 1 68 68 ARG N N 68 116.343 116.343 118.377 -2.034 18431 737 1 2 . 1 1 68 68 ARG HA H 68 3.859 3.859 4.102 -0.243 18431 738 1 2 . 1 1 68 68 ARG CA C 68 58.254 58.254 58.211 0.043 18431 739 1 2 . 1 1 68 68 ARG CB C 68 29.605 29.605 29.775 -0.170 18431 740 1 2 . 1 1 68 68 ARG H H 68 7.117 7.117 7.423 -0.306 18431 741 1 2 . 1 1 69 69 LEU N N 69 116.573 116.573 121.410 -4.837 18431 742 1 2 . 1 1 69 69 LEU HA H 69 3.847 3.847 4.239 -0.392 18431 743 1 2 . 1 1 69 69 LEU CA C 69 56.861 56.861 56.831 0.030 18431 744 1 2 . 1 1 69 69 LEU CB C 69 42.950 42.950 41.997 0.953 18431 745 1 2 . 1 1 69 69 LEU H H 69 7.360 7.360 7.526 -0.166 18431 746 1 2 . 1 1 70 70 MET N N 70 115.874 115.874 116.315 -0.441 18431 747 1 2 . 1 1 70 70 MET HA H 70 3.823 3.823 3.817 0.006 18431 748 1 2 . 1 1 70 70 MET CA C 70 59.195 59.195 57.876 1.319 18431 749 1 2 . 1 1 70 70 MET CB C 70 32.315 32.315 31.708 0.607 18431 750 1 2 . 1 1 70 70 MET H H 70 8.769 8.769 8.229 0.540 18431 751 1 2 . 1 1 71 71 GLN N N 71 114.286 114.286 117.662 -3.376 18431 752 1 2 . 1 1 71 71 GLN HA H 71 4.416 4.416 3.970 0.446 18431 753 1 2 . 1 1 71 71 GLN CA C 71 56.527 56.527 58.710 -2.183 18431 754 1 2 . 1 1 71 71 GLN CB C 71 27.446 27.446 28.191 -0.745 18431 755 1 2 . 1 1 71 71 GLN H H 71 7.522 7.522 7.721 -0.199 18431 756 1 2 . 1 1 72 72 GLN N N 72 117.645 117.645 115.723 1.922 18431 757 1 2 . 1 1 72 72 GLN HA H 72 4.198 4.198 4.067 0.131 18431 758 1 2 . 1 1 72 72 GLN CA C 72 56.549 56.549 56.750 -0.201 18431 759 1 2 . 1 1 72 72 GLN CB C 72 28.824 28.824 28.491 0.333 18431 760 1 2 . 1 1 72 72 GLN H H 72 7.279 7.279 7.491 -0.212 18431 761 1 2 . 1 1 73 73 SER N N 73 113.600 113.600 115.974 -2.374 18431 762 1 2 . 1 1 73 73 SER HA H 73 4.504 4.504 4.493 0.011 18431 763 1 2 . 1 1 73 73 SER CA C 73 57.600 57.600 57.606 -0.006 18431 764 1 2 . 1 1 73 73 SER CB C 73 63.542 63.542 64.868 -1.326 18431 765 1 2 . 1 1 73 73 SER H H 73 7.588 7.588 7.460 0.128 18431 766 1 2 . 1 1 74 74 VAL N N 74 121.652 121.652 118.288 3.364 18431 767 1 2 . 1 1 74 74 VAL HA H 74 4.136 4.136 4.203 -0.067 18431 768 1 2 . 1 1 74 74 VAL CA C 74 62.985 62.985 62.130 0.855 18431 769 1 2 . 1 1 74 74 VAL CB C 74 31.797 31.797 32.030 -0.233 18431 770 1 2 . 1 1 74 74 VAL H H 74 8.300 8.300 8.204 0.096 18431 771 1 2 . 1 1 75 75 GLU N N 75 120.481 120.481 121.503 -1.022 18431 772 1 2 . 1 1 75 75 GLU HA H 75 4.415 4.415 4.343 0.072 18431 773 1 2 . 1 1 75 75 GLU CA C 75 56.061 56.061 56.979 -0.918 18431 774 1 2 . 1 1 75 75 GLU CB C 75 29.153 29.153 29.955 -0.802 18431 775 1 2 . 1 1 75 75 GLU H H 75 8.486 8.486 8.390 0.096 18431 776 1 2 . 1 1 76 76 SER HA H 76 4.498 4.498 4.204 0.294 18431 777 1 2 . 1 1 76 76 SER CA C 76 59.426 59.426 60.948 -1.522 18431 778 1 2 . 1 1 76 76 SER CB C 76 64.071 64.071 63.186 0.885 18431 779 1 2 . 1 1 76 76 SER H H 76 8.142 8.142 8.880 -0.738 18431 780 1 2 . 1 1 77 77 VAL N N 77 122.712 122.712 121.650 1.062 18431 781 1 2 . 1 1 77 77 VAL HA H 77 4.036 4.036 3.715 0.321 18431 782 1 2 . 1 1 77 77 VAL CA C 77 64.600 64.600 65.295 -0.695 18431 783 1 2 . 1 1 77 77 VAL CB C 77 30.843 30.843 31.068 -0.225 18431 784 1 2 . 1 1 77 77 VAL H H 77 8.750 8.750 8.121 0.629 18431 785 1 2 . 1 1 78 78 TRP N N 78 121.247 121.247 119.409 1.838 18431 786 1 2 . 1 1 78 78 TRP HA H 78 4.507 4.507 4.345 0.162 18431 787 1 2 . 1 1 78 78 TRP CA C 78 59.753 59.753 60.596 -0.843 18431 788 1 2 . 1 1 78 78 TRP CB C 78 29.332 29.332 29.347 -0.015 18431 789 1 2 . 1 1 78 78 TRP H H 78 7.837 7.837 7.339 0.498 18431 790 1 2 . 1 1 79 79 ASN N N 79 119.032 119.032 117.822 1.210 18431 791 1 2 . 1 1 79 79 ASN HA H 79 4.382 4.382 4.533 -0.151 18431 792 1 2 . 1 1 79 79 ASN CA C 79 57.406 57.406 56.901 0.505 18431 793 1 2 . 1 1 79 79 ASN CB C 79 38.813 38.813 38.498 0.315 18431 794 1 2 . 1 1 79 79 ASN H H 79 7.856 7.856 7.965 -0.109 18431 795 1 2 . 1 1 80 80 MET N N 80 117.280 117.280 117.988 -0.708 18431 796 1 2 . 1 1 80 80 MET HA H 80 4.383 4.383 4.406 -0.023 18431 797 1 2 . 1 1 80 80 MET CA C 80 58.111 58.111 59.007 -0.896 18431 798 1 2 . 1 1 80 80 MET CB C 80 32.350 32.350 32.703 -0.353 18431 799 1 2 . 1 1 80 80 MET H H 80 7.765 7.765 8.758 -0.993 18431 800 1 2 . 1 1 81 81 ALA N N 81 123.582 123.582 123.450 0.132 18431 801 1 2 . 1 1 81 81 ALA HA H 81 4.220 4.220 4.132 0.088 18431 802 1 2 . 1 1 81 81 ALA CA C 81 54.997 54.997 55.246 -0.249 18431 803 1 2 . 1 1 81 81 ALA CB C 81 17.615 17.615 17.981 -0.366 18431 804 1 2 . 1 1 81 81 ALA H H 81 8.019 8.019 7.797 0.222 18431 805 1 2 . 1 1 82 82 PHE N N 82 117.853 117.853 119.300 -1.447 18431 806 1 2 . 1 1 82 82 PHE HA H 82 4.201 4.201 4.296 -0.095 18431 807 1 2 . 1 1 82 82 PHE CA C 82 62.679 62.679 60.413 2.266 18431 808 1 2 . 1 1 82 82 PHE CB C 82 38.078 38.078 38.985 -0.907 18431 809 1 2 . 1 1 82 82 PHE H H 82 8.455 8.455 8.693 -0.238 18431 810 1 2 . 1 1 83 83 ASP N N 83 118.244 118.244 119.391 -1.147 18431 811 1 2 . 1 1 83 83 ASP HA H 83 4.250 4.250 3.944 0.306 18431 812 1 2 . 1 1 83 83 ASP CA C 83 57.602 57.602 57.335 0.267 18431 813 1 2 . 1 1 83 83 ASP CB C 83 40.117 40.117 40.245 -0.128 18431 814 1 2 . 1 1 83 83 ASP H H 83 7.615 7.615 7.969 -0.354 18431 815 1 2 . 1 1 84 84 PHE N N 84 120.090 120.090 120.608 -0.518 18431 816 1 2 . 1 1 84 84 PHE HA H 84 4.319 4.319 4.255 0.064 18431 817 1 2 . 1 1 84 84 PHE CA C 84 61.110 61.110 61.384 -0.274 18431 818 1 2 . 1 1 84 84 PHE CB C 84 39.225 39.225 39.681 -0.456 18431 819 1 2 . 1 1 84 84 PHE H H 84 7.849 7.849 7.630 0.219 18431 820 1 2 . 1 1 85 85 ILE N N 85 122.915 122.915 120.154 2.761 18431 821 1 2 . 1 1 85 85 ILE HA H 85 3.372 3.372 3.650 -0.278 18431 822 1 2 . 1 1 85 85 ILE CA C 85 65.864 65.864 66.071 -0.207 18431 823 1 2 . 1 1 85 85 ILE CB C 85 38.422 38.422 38.044 0.378 18431 824 1 2 . 1 1 85 85 ILE H H 85 8.687 8.687 8.716 -0.029 18431 825 1 2 . 1 1 86 86 LEU N N 86 119.481 119.481 117.741 1.740 18431 826 1 2 . 1 1 86 86 LEU HA H 86 3.715 3.715 3.925 -0.210 18431 827 1 2 . 1 1 86 86 LEU CA C 86 57.875 57.875 58.359 -0.484 18431 828 1 2 . 1 1 86 86 LEU CB C 86 40.602 40.602 40.758 -0.156 18431 829 1 2 . 1 1 86 86 LEU H H 86 8.682 8.682 8.306 0.376 18431 830 1 2 . 1 1 87 87 ASP N N 87 118.290 118.290 119.052 -0.762 18431 831 1 2 . 1 1 87 87 ASP HA H 87 4.255 4.255 4.215 0.040 18431 832 1 2 . 1 1 87 87 ASP CA C 87 57.604 57.604 57.257 0.347 18431 833 1 2 . 1 1 87 87 ASP CB C 87 40.580 40.580 40.530 0.050 18431 834 1 2 . 1 1 87 87 ASP H H 87 8.301 8.301 7.699 0.602 18431 835 1 2 . 1 1 88 88 ASN N N 88 115.606 115.606 117.974 -2.368 18431 836 1 2 . 1 1 88 88 ASN HA H 88 4.139 4.139 4.341 -0.202 18431 837 1 2 . 1 1 88 88 ASN CA C 88 57.067 57.067 56.192 0.875 18431 838 1 2 . 1 1 88 88 ASN CB C 88 39.734 39.734 38.958 0.776 18431 839 1 2 . 1 1 88 88 ASN H H 88 7.421 7.421 7.920 -0.499 18431 840 1 2 . 1 1 89 89 VAL N N 89 120.092 120.092 117.177 2.915 18431 841 1 2 . 1 1 89 89 VAL HA H 89 3.421 3.421 3.822 -0.401 18431 842 1 2 . 1 1 89 89 VAL CA C 89 66.777 66.777 65.639 1.138 18431 843 1 2 . 1 1 89 89 VAL CB C 89 31.592 31.592 31.654 -0.062 18431 844 1 2 . 1 1 89 89 VAL H H 89 8.367 8.367 7.769 0.598 18431 845 1 2 . 1 1 90 90 GLN N N 90 118.315 118.315 118.262 0.053 18431 846 1 2 . 1 1 90 90 GLN HA H 90 4.427 4.427 4.100 0.327 18431 847 1 2 . 1 1 90 90 GLN CA C 90 58.918 58.918 58.347 0.570 18431 848 1 2 . 1 1 90 90 GLN CB C 90 28.471 28.471 28.752 -0.281 18431 849 1 2 . 1 1 90 90 GLN H H 90 8.780 8.780 8.106 0.674 18431 850 1 2 . 1 1 91 91 VAL N N 91 118.757 118.757 120.413 -1.656 18431 851 1 2 . 1 1 91 91 VAL HA H 91 3.720 3.720 3.652 0.068 18431 852 1 2 . 1 1 91 91 VAL CA C 91 66.303 66.303 66.397 -0.094 18431 853 1 2 . 1 1 91 91 VAL CB C 91 31.641 31.641 31.904 -0.263 18431 854 1 2 . 1 1 91 91 VAL H H 91 7.640 7.640 7.895 -0.255 18431 855 1 2 . 1 1 92 92 VAL N N 92 120.289 120.289 119.971 0.318 18431 856 1 2 . 1 1 92 92 VAL HA H 92 3.728 3.728 3.717 0.011 18431 857 1 2 . 1 1 92 92 VAL CA C 92 66.270 66.270 66.136 0.134 18431 858 1 2 . 1 1 92 92 VAL CB C 92 31.354 31.354 31.726 -0.372 18431 859 1 2 . 1 1 92 92 VAL H H 92 7.382 7.382 7.751 -0.369 18431 860 1 2 . 1 1 93 93 LEU N N 93 123.817 123.817 117.138 6.679 18431 861 1 2 . 1 1 93 93 LEU HA H 93 4.038 4.038 4.312 -0.274 18431 862 1 2 . 1 1 93 93 LEU CA C 93 58.777 58.777 57.882 0.895 18431 863 1 2 . 1 1 93 93 LEU CB C 93 41.790 41.790 41.388 0.402 18431 864 1 2 . 1 1 93 93 LEU H H 93 8.813 8.813 7.446 1.367 18431 865 1 2 . 1 1 94 94 GLN N N 94 119.660 119.660 119.546 0.114 18431 866 1 2 . 1 1 94 94 GLN HA H 94 3.990 3.990 4.282 -0.292 18431 867 1 2 . 1 1 94 94 GLN CA C 94 58.977 58.977 58.564 0.413 18431 868 1 2 . 1 1 94 94 GLN CB C 94 28.270 28.270 28.456 -0.186 18431 869 1 2 . 1 1 94 94 GLN H H 94 8.469 8.469 7.808 0.661 18431 870 1 2 . 1 1 95 95 GLN N N 95 117.593 117.593 116.941 0.652 18431 871 1 2 . 1 1 95 95 GLN HA H 95 4.068 4.068 4.149 -0.081 18431 872 1 2 . 1 1 95 95 GLN CA C 95 57.991 57.991 58.161 -0.170 18431 873 1 2 . 1 1 95 95 GLN CB C 95 28.548 28.548 28.767 -0.219 18431 874 1 2 . 1 1 95 95 GLN H H 95 8.088 8.088 7.673 0.415 18431 875 1 2 . 1 1 96 96 THR N N 96 113.065 113.065 112.056 1.009 18431 876 1 2 . 1 1 96 96 THR HA H 96 4.003 4.003 4.120 -0.117 18431 877 1 2 . 1 1 96 96 THR CA C 96 64.857 64.857 64.274 0.583 18431 878 1 2 . 1 1 96 96 THR CB C 96 69.618 69.618 69.364 0.254 18431 879 1 2 . 1 1 96 96 THR H H 96 7.970 7.970 7.667 0.303 18431 880 1 2 . 1 1 97 97 TYR N N 97 118.178 118.178 118.581 -0.403 18431 881 1 2 . 1 1 97 97 TYR HA H 97 4.717 4.717 4.522 0.195 18431 882 1 2 . 1 1 97 97 TYR CA C 97 58.312 58.312 59.746 -1.434 18431 883 1 2 . 1 1 97 97 TYR CB C 97 40.223 40.223 39.833 0.390 18431 884 1 2 . 1 1 97 97 TYR H H 97 8.438 8.438 8.384 0.054 18431 885 1 2 . 1 1 98 98 GLY N N 98 109.735 109.735 104.199 5.536 18431 886 1 2 . 1 1 98 98 GLY CA C 98 45.908 45.908 45.015 0.893 18431 887 1 2 . 1 1 98 98 GLY H H 98 8.014 8.014 8.093 -0.079 18431 888 1 2 . 1 1 99 99 SER N N 99 114.137 114.137 114.431 -0.294 18431 889 1 2 . 1 1 99 99 SER HA H 99 4.642 4.642 4.759 -0.117 18431 890 1 2 . 1 1 99 99 SER CA C 99 57.226 57.226 56.470 0.756 18431 891 1 2 . 1 1 99 99 SER CB C 99 64.294 64.294 64.238 0.056 18431 892 1 2 . 1 1 99 99 SER H H 99 7.666 7.666 8.035 -0.369 18431 893 1 2 . 1 1 100 100 THR N N 100 110.514 110.514 111.814 -1.300 18431 894 1 2 . 1 1 100 100 THR HA H 100 4.424 4.424 4.509 -0.085 18431 895 1 2 . 1 1 100 100 THR CA C 100 60.964 60.964 60.360 0.604 18431 896 1 2 . 1 1 100 100 THR CB C 100 70.303 70.303 71.447 -1.144 18431 897 1 2 . 1 1 100 100 THR H H 100 7.899 7.899 8.074 -0.175 18431 898 1 2 . 1 1 101 101 LEU N N 101 124.047 124.047 121.279 2.768 18431 899 1 2 . 1 1 101 101 LEU HA H 101 4.313 4.313 4.441 -0.128 18431 900 1 2 . 1 1 101 101 LEU CA C 101 54.930 54.930 54.269 0.661 18431 901 1 2 . 1 1 101 101 LEU CB C 101 42.501 42.501 43.084 -0.583 18431 902 1 2 . 1 1 101 101 LEU H H 101 8.847 8.847 8.450 0.397 18431 903 1 2 . 1 1 102 102 LYS N N 102 124.883 124.883 121.221 3.662 18431 904 1 2 . 1 1 102 102 LYS HA H 102 4.415 4.415 4.353 0.062 18431 905 1 2 . 1 1 102 102 LYS CA C 102 55.588 55.588 55.974 -0.386 18431 906 1 2 . 1 1 102 102 LYS CB C 102 32.596 32.596 32.793 -0.197 18431 907 1 2 . 1 1 102 102 LYS H H 102 8.578 8.578 8.355 0.223 18431 908 1 2 . 1 1 103 103 VAL N N 103 122.753 122.753 126.721 -3.968 18431 909 1 2 . 1 1 103 103 VAL HA H 103 4.237 4.237 4.410 -0.173 18431 910 1 2 . 1 1 103 103 VAL CA C 103 61.956 61.956 62.235 -0.279 18431 911 1 2 . 1 1 103 103 VAL CB C 103 32.747 32.747 31.940 0.807 18431 912 1 2 . 1 1 103 103 VAL H H 103 8.348 8.348 8.530 -0.182 18431 913 1 3 . 1 1 9 9 ALA N N 9 123.345 123.345 124.487 -1.142 18431 914 1 3 . 1 1 9 9 ALA HA H 9 4.549 4.549 4.736 -0.187 18431 915 1 3 . 1 1 9 9 ALA CA C 9 50.151 50.151 51.141 -0.990 18431 916 1 3 . 1 1 9 9 ALA CB C 9 18.185 18.185 18.732 -0.547 18431 917 1 3 . 1 1 9 9 ALA H H 9 7.992 7.992 8.237 -0.245 18431 918 1 3 . 1 1 10 10 PRO HA H 10 4.299 4.299 4.413 -0.114 18431 919 1 3 . 1 1 10 10 PRO CA C 10 62.937 62.937 61.885 1.052 18431 920 1 3 . 1 1 10 10 PRO CB C 10 31.902 31.902 32.301 -0.399 18431 921 1 3 . 1 1 11 11 ASN N N 11 117.877 117.877 118.469 -0.592 18431 922 1 3 . 1 1 11 11 ASN HA H 11 4.646 4.646 4.547 0.099 18431 923 1 3 . 1 1 11 11 ASN CA C 11 53.077 53.077 53.474 -0.397 18431 924 1 3 . 1 1 11 11 ASN CB C 11 38.590 38.590 37.541 1.049 18431 925 1 3 . 1 1 11 11 ASN H H 11 8.467 8.467 8.395 0.072 18431 926 1 3 . 1 1 12 12 LEU N N 12 122.874 122.874 124.070 -1.196 18431 927 1 3 . 1 1 12 12 LEU HA H 12 4.290 4.290 4.540 -0.250 18431 928 1 3 . 1 1 12 12 LEU CA C 12 55.170 55.170 54.204 0.966 18431 929 1 3 . 1 1 12 12 LEU CB C 12 42.131 42.131 43.332 -1.201 18431 930 1 3 . 1 1 12 12 LEU H H 12 8.196 8.196 8.204 -0.008 18431 931 1 3 . 1 1 13 13 ALA N N 13 123.854 123.854 127.200 -3.346 18431 932 1 3 . 1 1 13 13 ALA HA H 13 4.243 4.243 4.134 0.109 18431 933 1 3 . 1 1 13 13 ALA CA C 13 52.672 52.672 53.838 -1.166 18431 934 1 3 . 1 1 13 13 ALA CB C 13 18.923 18.923 18.957 -0.034 18431 935 1 3 . 1 1 13 13 ALA H H 13 8.214 8.214 8.579 -0.365 18431 936 1 3 . 1 1 14 14 GLY N N 14 107.993 107.993 105.006 2.987 18431 937 1 3 . 1 1 14 14 GLY CA C 14 44.989 44.989 44.513 0.476 18431 938 1 3 . 1 1 14 14 GLY H H 14 8.246 8.246 7.919 0.327 18431 939 1 3 . 1 1 15 15 ALA N N 15 123.594 123.594 122.008 1.586 18431 940 1 3 . 1 1 15 15 ALA HA H 15 4.330 4.330 4.114 0.216 18431 941 1 3 . 1 1 15 15 ALA CA C 15 52.147 52.147 52.336 -0.189 18431 942 1 3 . 1 1 15 15 ALA CB C 15 18.941 18.941 17.214 1.727 18431 943 1 3 . 1 1 15 15 ALA H H 15 8.017 8.017 7.825 0.192 18431 944 1 3 . 1 1 16 16 VAL N N 16 119.010 119.010 112.502 6.508 18431 945 1 3 . 1 1 16 16 VAL HA H 16 4.036 4.036 3.975 0.061 18431 946 1 3 . 1 1 16 16 VAL CA C 16 62.127 62.127 64.490 -2.362 18431 947 1 3 . 1 1 16 16 VAL CB C 16 32.727 32.727 31.855 0.872 18431 948 1 3 . 1 1 16 16 VAL H H 16 8.060 8.060 8.089 -0.029 18431 949 1 3 . 1 1 17 17 GLU N N 17 124.211 124.211 119.570 4.641 18431 950 1 3 . 1 1 17 17 GLU HA H 17 4.429 4.429 4.438 -0.009 18431 951 1 3 . 1 1 17 17 GLU CA C 17 57.429 57.429 54.927 2.502 18431 952 1 3 . 1 1 17 17 GLU CB C 17 29.421 29.421 31.136 -1.715 18431 953 1 3 . 1 1 17 17 GLU H H 17 8.436 8.436 7.765 0.671 18431 954 1 3 . 1 1 18 18 PHE HA H 18 4.291 4.291 4.238 0.053 18431 955 1 3 . 1 1 18 18 PHE CA C 18 60.955 60.955 60.432 0.523 18431 956 1 3 . 1 1 18 18 PHE CB C 18 38.464 38.464 39.265 -0.801 18431 957 1 3 . 1 1 19 19 SER N N 19 112.147 112.147 113.360 -1.213 18431 958 1 3 . 1 1 19 19 SER HA H 19 3.659 3.659 3.847 -0.188 18431 959 1 3 . 1 1 19 19 SER CA C 19 61.576 61.576 61.203 0.373 18431 960 1 3 . 1 1 19 19 SER CB C 19 61.649 61.649 62.253 -0.604 18431 961 1 3 . 1 1 19 19 SER H H 19 8.871 8.871 8.358 0.513 18431 962 1 3 . 1 1 20 20 ASP N N 20 120.916 120.916 121.697 -0.781 18431 963 1 3 . 1 1 20 20 ASP HA H 20 4.492 4.492 4.496 -0.004 18431 964 1 3 . 1 1 20 20 ASP CA C 20 56.696 56.696 57.122 -0.426 18431 965 1 3 . 1 1 20 20 ASP CB C 20 40.543 40.543 40.925 -0.382 18431 966 1 3 . 1 1 20 20 ASP H H 20 7.019 7.019 7.659 -0.640 18431 967 1 3 . 1 1 21 21 VAL HA H 21 3.224 3.224 3.550 -0.326 18431 968 1 3 . 1 1 21 21 VAL CA C 21 66.801 66.801 66.051 0.750 18431 969 1 3 . 1 1 21 21 VAL CB C 21 31.741 31.741 31.010 0.731 18431 970 1 3 . 1 1 22 22 LYS HA H 22 3.435 3.435 3.924 -0.489 18431 971 1 3 . 1 1 22 22 LYS CA C 22 60.282 60.282 60.343 -0.060 18431 972 1 3 . 1 1 22 22 LYS CB C 22 31.283 31.283 31.617 -0.334 18431 973 1 3 . 1 1 23 23 THR N N 23 116.224 116.224 116.477 -0.253 18431 974 1 3 . 1 1 23 23 THR HA H 23 3.796 3.796 4.098 -0.302 18431 975 1 3 . 1 1 23 23 THR CA C 23 66.591 66.591 67.243 -0.652 18431 976 1 3 . 1 1 23 23 THR CB C 23 68.361 68.361 68.859 -0.498 18431 977 1 3 . 1 1 23 23 THR H H 23 7.391 7.391 7.457 -0.066 18431 978 1 3 . 1 1 24 24 LEU HA H 24 4.022 4.022 4.024 -0.002 18431 979 1 3 . 1 1 24 24 LEU CA C 24 57.911 57.911 58.226 -0.315 18431 980 1 3 . 1 1 24 24 LEU CB C 24 42.110 42.110 41.901 0.208 18431 981 1 3 . 1 1 24 24 LEU H H 24 7.699 7.699 8.511 -0.812 18431 982 1 3 . 1 1 25 25 LEU N N 25 118.389 118.389 119.631 -1.242 18431 983 1 3 . 1 1 25 25 LEU HA H 25 4.135 4.135 4.182 -0.047 18431 984 1 3 . 1 1 25 25 LEU CA C 25 57.864 57.864 58.061 -0.197 18431 985 1 3 . 1 1 25 25 LEU CB C 25 42.653 42.653 41.973 0.680 18431 986 1 3 . 1 1 25 25 LEU H H 25 8.331 8.331 8.436 -0.105 18431 987 1 3 . 1 1 26 26 LYS N N 26 118.433 118.433 118.634 -0.201 18431 988 1 3 . 1 1 26 26 LYS HA H 26 3.833 3.833 3.831 0.002 18431 989 1 3 . 1 1 26 26 LYS CA C 26 60.095 60.095 59.617 0.478 18431 990 1 3 . 1 1 26 26 LYS CB C 26 31.623 31.623 31.969 -0.346 18431 991 1 3 . 1 1 26 26 LYS H H 26 8.464 8.464 8.381 0.083 18431 992 1 3 . 1 1 27 27 GLU N N 27 120.838 120.838 119.445 1.393 18431 993 1 3 . 1 1 27 27 GLU HA H 27 3.945 3.945 4.277 -0.332 18431 994 1 3 . 1 1 27 27 GLU CA C 27 59.509 59.509 59.190 0.319 18431 995 1 3 . 1 1 27 27 GLU CB C 27 29.199 29.199 29.725 -0.526 18431 996 1 3 . 1 1 27 27 GLU H H 27 8.246 8.246 8.335 -0.089 18431 997 1 3 . 1 1 28 28 TRP N N 28 122.200 122.200 121.510 0.690 18431 998 1 3 . 1 1 28 28 TRP HA H 28 4.597 4.597 4.616 -0.019 18431 999 1 3 . 1 1 28 28 TRP CA C 28 59.443 59.443 60.525 -1.082 18431 1000 1 3 . 1 1 28 28 TRP CB C 28 29.083 29.083 29.482 -0.399 18431 1001 1 3 . 1 1 28 28 TRP H H 28 8.143 8.143 8.022 0.121 18431 1002 1 3 . 1 1 29 29 ILE N N 29 114.954 114.954 116.741 -1.787 18431 1003 1 3 . 1 1 29 29 ILE HA H 29 2.742 2.742 3.385 -0.643 18431 1004 1 3 . 1 1 29 29 ILE CA C 29 62.759 62.759 62.881 -0.122 18431 1005 1 3 . 1 1 29 29 ILE CB C 29 37.992 37.992 38.175 -0.182 18431 1006 1 3 . 1 1 29 29 ILE H H 29 7.999 7.999 7.696 0.303 18431 1007 1 3 . 1 1 30 30 THR N N 30 106.869 106.869 113.598 -6.729 18431 1008 1 3 . 1 1 30 30 THR HA H 30 4.117 4.117 4.191 -0.074 18431 1009 1 3 . 1 1 30 30 THR CA C 30 63.447 63.447 64.482 -1.035 18431 1010 1 3 . 1 1 30 30 THR CB C 30 70.045 70.045 69.151 0.894 18431 1011 1 3 . 1 1 30 30 THR H H 30 7.622 7.622 7.838 -0.216 18431 1012 1 3 . 1 1 31 31 THR N N 31 111.890 111.890 115.023 -3.133 18431 1013 1 3 . 1 1 31 31 THR HA H 31 4.503 4.503 4.147 0.356 18431 1014 1 3 . 1 1 31 31 THR CA C 31 63.231 63.231 64.507 -1.276 18431 1015 1 3 . 1 1 31 31 THR CB C 31 70.556 70.556 69.169 1.387 18431 1016 1 3 . 1 1 31 31 THR H H 31 7.588 7.588 8.139 -0.551 18431 1017 1 3 . 1 1 32 32 ILE N N 32 123.663 123.663 122.130 1.533 18431 1018 1 3 . 1 1 32 32 ILE HA H 32 4.499 4.499 4.326 0.173 18431 1019 1 3 . 1 1 32 32 ILE CA C 32 59.426 59.426 60.005 -0.579 18431 1020 1 3 . 1 1 32 32 ILE CB C 32 37.378 37.378 37.706 -0.328 18431 1021 1 3 . 1 1 32 32 ILE H H 32 7.929 7.929 7.502 0.427 18431 1022 1 3 . 1 1 33 33 SER N N 33 119.544 119.544 118.952 0.592 18431 1023 1 3 . 1 1 33 33 SER HA H 33 4.523 4.523 4.751 -0.228 18431 1024 1 3 . 1 1 33 33 SER CA C 33 59.189 59.189 59.358 -0.169 18431 1025 1 3 . 1 1 33 33 SER CB C 33 63.838 63.838 65.055 -1.217 18431 1026 1 3 . 1 1 33 33 SER H H 33 8.418 8.418 8.632 -0.214 18431 1027 1 3 . 1 1 34 34 ASP HA H 34 4.821 4.821 4.818 0.003 18431 1028 1 3 . 1 1 34 34 ASP CA C 34 51.168 51.168 52.241 -1.073 18431 1029 1 3 . 1 1 34 34 ASP CB C 34 41.139 41.139 42.014 -0.875 18431 1030 1 3 . 1 1 34 34 ASP H H 34 7.730 7.730 7.927 -0.197 18431 1031 1 3 . 1 1 35 35 PRO HA H 35 4.167 4.167 4.520 -0.353 18431 1032 1 3 . 1 1 35 35 PRO CA C 35 62.085 62.085 62.951 -0.866 18431 1033 1 3 . 1 1 35 35 PRO CB C 35 31.767 31.767 33.180 -1.413 18431 1034 1 3 . 1 1 36 36 MET N N 36 121.309 121.309 117.121 4.188 18431 1035 1 3 . 1 1 36 36 MET HA H 36 4.565 4.565 4.803 -0.238 18431 1036 1 3 . 1 1 36 36 MET CA C 36 53.867 53.867 53.833 0.034 18431 1037 1 3 . 1 1 36 36 MET CB C 36 32.411 32.411 35.479 -3.068 18431 1038 1 3 . 1 1 36 36 MET H H 36 9.165 9.165 8.860 0.305 18431 1039 1 3 . 1 1 37 37 GLU N N 37 125.284 125.284 119.979 5.305 18431 1040 1 3 . 1 1 37 37 GLU HA H 37 3.744 3.744 3.928 -0.184 18431 1041 1 3 . 1 1 37 37 GLU CA C 37 60.307 60.307 59.627 0.680 18431 1042 1 3 . 1 1 37 37 GLU CB C 37 29.448 29.448 28.764 0.684 18431 1043 1 3 . 1 1 37 37 GLU H H 37 9.034 9.034 8.920 0.114 18431 1044 1 3 . 1 1 38 38 GLU N N 38 116.000 116.000 117.916 -1.916 18431 1045 1 3 . 1 1 38 38 GLU HA H 38 4.003 4.003 4.063 -0.060 18431 1046 1 3 . 1 1 38 38 GLU CA C 38 59.588 59.588 59.048 0.540 18431 1047 1 3 . 1 1 38 38 GLU CB C 38 29.280 29.280 28.810 0.470 18431 1048 1 3 . 1 1 38 38 GLU H H 38 9.356 9.356 8.908 0.448 18431 1049 1 3 . 1 1 39 39 ASP N N 39 118.974 118.974 121.111 -2.137 18431 1050 1 3 . 1 1 39 39 ASP HA H 39 4.493 4.493 4.381 0.112 18431 1051 1 3 . 1 1 39 39 ASP CA C 39 57.231 57.231 57.683 -0.452 18431 1052 1 3 . 1 1 39 39 ASP CB C 39 41.226 41.226 40.820 0.406 18431 1053 1 3 . 1 1 39 39 ASP H H 39 7.169 7.169 8.019 -0.850 18431 1054 1 3 . 1 1 40 40 ILE N N 40 120.269 120.269 119.732 0.537 18431 1055 1 3 . 1 1 40 40 ILE HA H 40 3.845 3.845 3.941 -0.096 18431 1056 1 3 . 1 1 40 40 ILE CA C 40 65.345 65.345 65.039 0.306 18431 1057 1 3 . 1 1 40 40 ILE CB C 40 37.500 37.500 38.028 -0.528 18431 1058 1 3 . 1 1 40 40 ILE H H 40 7.766 7.766 7.480 0.286 18431 1059 1 3 . 1 1 41 41 LEU N N 41 118.715 118.715 119.666 -0.951 18431 1060 1 3 . 1 1 41 41 LEU HA H 41 4.131 4.131 4.070 0.061 18431 1061 1 3 . 1 1 41 41 LEU CA C 41 57.835 57.835 57.379 0.456 18431 1062 1 3 . 1 1 41 41 LEU CB C 41 40.819 40.819 41.372 -0.553 18431 1063 1 3 . 1 1 41 41 LEU H H 41 8.726 8.726 8.316 0.410 18431 1064 1 3 . 1 1 42 42 GLN N N 42 119.539 119.539 118.951 0.588 18431 1065 1 3 . 1 1 42 42 GLN HA H 42 4.177 4.177 4.067 0.110 18431 1066 1 3 . 1 1 42 42 GLN CA C 42 59.241 59.241 58.954 0.287 18431 1067 1 3 . 1 1 42 42 GLN CB C 42 28.518 28.518 28.544 -0.026 18431 1068 1 3 . 1 1 42 42 GLN H H 42 7.768 7.768 7.823 -0.055 18431 1069 1 3 . 1 1 43 43 VAL N N 43 121.194 121.194 115.739 5.455 18431 1070 1 3 . 1 1 43 43 VAL HA H 43 3.787 3.787 3.767 0.020 18431 1071 1 3 . 1 1 43 43 VAL CA C 43 66.760 66.760 66.148 0.612 18431 1072 1 3 . 1 1 43 43 VAL CB C 43 31.423 31.423 31.154 0.269 18431 1073 1 3 . 1 1 43 43 VAL H H 43 7.712 7.712 7.558 0.154 18431 1074 1 3 . 1 1 44 44 VAL N N 44 120.876 120.876 120.337 0.539 18431 1075 1 3 . 1 1 44 44 VAL HA H 44 3.422 3.422 3.871 -0.449 18431 1076 1 3 . 1 1 44 44 VAL CA C 44 67.910 67.910 65.720 2.190 18431 1077 1 3 . 1 1 44 44 VAL CB C 44 31.392 31.392 30.602 0.790 18431 1078 1 3 . 1 1 44 44 VAL H H 44 8.232 8.232 7.549 0.683 18431 1079 1 3 . 1 1 45 45 ARG N N 45 120.934 120.934 121.648 -0.714 18431 1080 1 3 . 1 1 45 45 ARG HA H 45 4.148 4.148 4.091 0.057 18431 1081 1 3 . 1 1 45 45 ARG CA C 45 58.593 58.593 58.371 0.222 18431 1082 1 3 . 1 1 45 45 ARG CB C 45 29.608 29.608 29.498 0.110 18431 1083 1 3 . 1 1 45 45 ARG H H 45 8.489 8.489 7.720 0.769 18431 1084 1 3 . 1 1 46 46 TYR N N 46 120.548 120.548 120.793 -0.245 18431 1085 1 3 . 1 1 46 46 TYR HA H 46 4.547 4.547 4.286 0.261 18431 1086 1 3 . 1 1 46 46 TYR CA C 46 60.926 60.926 61.413 -0.487 18431 1087 1 3 . 1 1 46 46 TYR CB C 46 38.447 38.447 38.428 0.019 18431 1088 1 3 . 1 1 46 46 TYR H H 46 7.870 7.870 7.854 0.016 18431 1089 1 3 . 1 1 47 47 CYS N N 47 115.132 115.132 117.140 -2.008 18431 1090 1 3 . 1 1 47 47 CYS HA H 47 3.738 3.738 3.812 -0.074 18431 1091 1 3 . 1 1 47 47 CYS CA C 47 64.313 64.313 63.348 0.965 18431 1092 1 3 . 1 1 47 47 CYS CB C 47 27.744 27.744 27.415 0.329 18431 1093 1 3 . 1 1 47 47 CYS H H 47 8.109 8.109 7.846 0.263 18431 1094 1 3 . 1 1 48 48 THR N N 48 114.153 114.153 115.921 -1.768 18431 1095 1 3 . 1 1 48 48 THR HA H 48 3.877 3.877 4.035 -0.158 18431 1096 1 3 . 1 1 48 48 THR CA C 48 66.755 66.755 67.197 -0.442 18431 1097 1 3 . 1 1 48 48 THR CB C 48 67.593 67.593 68.290 -0.697 18431 1098 1 3 . 1 1 48 48 THR H H 48 8.776 8.776 8.130 0.646 18431 1099 1 3 . 1 1 49 49 ASP N N 49 126.528 126.528 121.017 5.511 18431 1100 1 3 . 1 1 49 49 ASP HA H 49 4.425 4.425 4.531 -0.106 18431 1101 1 3 . 1 1 49 49 ASP CA C 49 57.688 57.688 56.235 1.453 18431 1102 1 3 . 1 1 49 49 ASP CB C 49 39.249 39.249 40.921 -1.672 18431 1103 1 3 . 1 1 49 49 ASP H H 49 8.697 8.697 7.660 1.037 18431 1104 1 3 . 1 1 50 50 LEU HA H 50 3.924 3.924 3.935 -0.011 18431 1105 1 3 . 1 1 50 50 LEU CA C 50 58.157 58.157 57.391 0.766 18431 1106 1 3 . 1 1 50 50 LEU CB C 50 41.408 41.408 42.042 -0.634 18431 1107 1 3 . 1 1 51 51 ILE N N 51 118.832 118.832 117.041 1.791 18431 1108 1 3 . 1 1 51 51 ILE HA H 51 3.417 3.417 3.743 -0.326 18431 1109 1 3 . 1 1 51 51 ILE CA C 51 66.261 66.261 65.131 1.130 18431 1110 1 3 . 1 1 51 51 ILE CB C 51 37.691 37.691 37.407 0.284 18431 1111 1 3 . 1 1 51 51 ILE H H 51 7.639 7.639 7.514 0.125 18431 1112 1 3 . 1 1 52 52 GLU N N 52 123.247 123.247 119.396 3.851 18431 1113 1 3 . 1 1 52 52 GLU HA H 52 4.001 4.001 4.158 -0.157 18431 1114 1 3 . 1 1 52 52 GLU CA C 52 59.592 59.592 58.664 0.928 18431 1115 1 3 . 1 1 52 52 GLU CB C 52 29.068 29.068 29.176 -0.108 18431 1116 1 3 . 1 1 52 52 GLU H H 52 8.506 8.506 8.231 0.275 18431 1117 1 3 . 1 1 53 53 GLU N N 53 116.384 116.384 116.257 0.127 18431 1118 1 3 . 1 1 53 53 GLU HA H 53 4.294 4.294 4.447 -0.153 18431 1119 1 3 . 1 1 53 53 GLU CA C 53 55.907 55.907 55.772 0.135 18431 1120 1 3 . 1 1 53 53 GLU CB C 53 29.710 29.710 29.705 0.005 18431 1121 1 3 . 1 1 53 53 GLU H H 53 7.716 7.716 7.544 0.172 18431 1122 1 3 . 1 1 54 54 LYS N N 54 116.934 116.934 114.601 2.333 18431 1123 1 3 . 1 1 54 54 LYS HA H 54 3.662 3.662 3.969 -0.307 18431 1124 1 3 . 1 1 54 54 LYS CA C 54 57.278 57.278 58.093 -0.815 18431 1125 1 3 . 1 1 54 54 LYS CB C 54 29.785 29.785 30.209 -0.424 18431 1126 1 3 . 1 1 54 54 LYS H H 54 8.089 8.089 7.516 0.573 18431 1127 1 3 . 1 1 55 55 ASP N N 55 122.549 122.549 118.908 3.641 18431 1128 1 3 . 1 1 55 55 ASP HA H 55 5.058 5.058 4.786 0.272 18431 1129 1 3 . 1 1 55 55 ASP CA C 55 51.306 51.306 53.990 -2.684 18431 1130 1 3 . 1 1 55 55 ASP CB C 55 38.856 38.856 40.026 -1.170 18431 1131 1 3 . 1 1 55 55 ASP H H 55 8.497 8.497 8.465 0.032 18431 1132 1 3 . 1 1 56 56 LEU N N 56 119.627 119.627 116.676 2.951 18431 1133 1 3 . 1 1 56 56 LEU HA H 56 3.901 3.901 4.351 -0.450 18431 1134 1 3 . 1 1 56 56 LEU CA C 56 56.528 56.528 55.333 1.195 18431 1135 1 3 . 1 1 56 56 LEU CB C 56 40.034 40.034 40.332 -0.298 18431 1136 1 3 . 1 1 56 56 LEU H H 56 7.578 7.578 7.864 -0.286 18431 1137 1 3 . 1 1 57 57 GLU N N 57 121.433 121.433 121.314 0.119 18431 1138 1 3 . 1 1 57 57 GLU HA H 57 4.041 4.041 3.871 0.170 18431 1139 1 3 . 1 1 57 57 GLU CA C 57 59.321 59.321 59.854 -0.533 18431 1140 1 3 . 1 1 57 57 GLU CB C 57 29.229 29.229 28.892 0.337 18431 1141 1 3 . 1 1 57 57 GLU H H 57 8.614 8.614 8.438 0.176 18431 1142 1 3 . 1 1 58 58 LYS N N 58 119.832 119.832 117.988 1.844 18431 1143 1 3 . 1 1 58 58 LYS HA H 58 3.760 3.760 3.873 -0.113 18431 1144 1 3 . 1 1 58 58 LYS CA C 58 59.273 59.273 58.009 1.264 18431 1145 1 3 . 1 1 58 58 LYS CB C 58 32.370 32.370 32.018 0.352 18431 1146 1 3 . 1 1 58 58 LYS H H 58 7.527 7.527 7.686 -0.159 18431 1147 1 3 . 1 1 59 59 LEU N N 59 117.844 117.844 121.746 -3.902 18431 1148 1 3 . 1 1 59 59 LEU HA H 59 3.912 3.912 3.958 -0.046 18431 1149 1 3 . 1 1 59 59 LEU CA C 59 57.865 57.865 57.874 -0.009 18431 1150 1 3 . 1 1 59 59 LEU CB C 59 41.382 41.382 41.441 -0.058 18431 1151 1 3 . 1 1 59 59 LEU H H 59 7.570 7.570 7.567 0.003 18431 1152 1 3 . 1 1 60 60 ASP N N 60 117.630 117.630 118.310 -0.680 18431 1153 1 3 . 1 1 60 60 ASP HA H 60 4.273 4.273 4.298 -0.025 18431 1154 1 3 . 1 1 60 60 ASP CA C 60 57.695 57.695 57.098 0.597 18431 1155 1 3 . 1 1 60 60 ASP CB C 60 42.074 42.074 40.693 1.381 18431 1156 1 3 . 1 1 60 60 ASP H H 60 7.849 7.849 8.093 -0.244 18431 1157 1 3 . 1 1 61 61 LEU N N 61 116.500 116.500 118.297 -1.797 18431 1158 1 3 . 1 1 61 61 LEU HA H 61 3.924 3.924 4.114 -0.190 18431 1159 1 3 . 1 1 61 61 LEU CA C 61 57.886 57.886 56.766 1.120 18431 1160 1 3 . 1 1 61 61 LEU CB C 61 41.825 41.825 41.620 0.205 18431 1161 1 3 . 1 1 61 61 LEU H H 61 7.484 7.484 7.303 0.181 18431 1162 1 3 . 1 1 62 62 VAL N N 62 120.681 120.681 119.345 1.336 18431 1163 1 3 . 1 1 62 62 VAL HA H 62 3.963 3.963 3.960 0.003 18431 1164 1 3 . 1 1 62 62 VAL CA C 62 66.843 66.843 66.217 0.626 18431 1165 1 3 . 1 1 62 62 VAL CB C 62 31.954 31.954 31.229 0.725 18431 1166 1 3 . 1 1 62 62 VAL H H 62 8.682 8.682 7.308 1.374 18431 1167 1 3 . 1 1 63 63 ILE N N 63 122.448 122.448 117.982 4.466 18431 1168 1 3 . 1 1 63 63 ILE HA H 63 3.995 3.995 3.850 0.145 18431 1169 1 3 . 1 1 63 63 ILE CA C 63 63.777 63.777 63.844 -0.067 18431 1170 1 3 . 1 1 63 63 ILE CB C 63 35.707 35.707 36.267 -0.560 18431 1171 1 3 . 1 1 63 63 ILE H H 63 8.824 8.824 8.104 0.720 18431 1172 1 3 . 1 1 64 64 LYS N N 64 118.898 118.898 118.758 0.140 18431 1173 1 3 . 1 1 64 64 LYS HA H 64 3.889 3.889 4.133 -0.244 18431 1174 1 3 . 1 1 64 64 LYS CA C 64 60.416 60.416 59.173 1.243 18431 1175 1 3 . 1 1 64 64 LYS CB C 64 32.563 32.563 32.232 0.331 18431 1176 1 3 . 1 1 64 64 LYS H H 64 8.368 8.368 7.632 0.736 18431 1177 1 3 . 1 1 65 65 TYR N N 65 121.217 121.217 121.503 -0.286 18431 1178 1 3 . 1 1 65 65 TYR HA H 65 4.330 4.330 4.375 -0.045 18431 1179 1 3 . 1 1 65 65 TYR CA C 65 61.779 61.779 60.745 1.034 18431 1180 1 3 . 1 1 65 65 TYR CB C 65 38.898 38.898 39.028 -0.130 18431 1181 1 3 . 1 1 65 65 TYR H H 65 8.200 8.200 7.859 0.341 18431 1182 1 3 . 1 1 66 66 MET N N 66 116.741 116.741 118.380 -1.639 18431 1183 1 3 . 1 1 66 66 MET HA H 66 3.682 3.682 4.112 -0.430 18431 1184 1 3 . 1 1 66 66 MET CA C 66 60.444 60.444 58.977 1.467 18431 1185 1 3 . 1 1 66 66 MET CB C 66 33.627 33.627 33.102 0.525 18431 1186 1 3 . 1 1 66 66 MET H H 66 8.681 8.681 8.918 -0.237 18431 1187 1 3 . 1 1 67 67 LYS N N 67 119.826 119.826 117.897 1.929 18431 1188 1 3 . 1 1 67 67 LYS HA H 67 2.637 2.637 3.179 -0.542 18431 1189 1 3 . 1 1 67 67 LYS CA C 67 59.949 59.949 58.623 1.326 18431 1190 1 3 . 1 1 67 67 LYS CB C 67 32.596 32.596 31.673 0.923 18431 1191 1 3 . 1 1 67 67 LYS H H 67 8.563 8.563 7.935 0.628 18431 1192 1 3 . 1 1 68 68 ARG N N 68 116.343 116.343 118.941 -2.598 18431 1193 1 3 . 1 1 68 68 ARG HA H 68 3.859 3.859 4.087 -0.228 18431 1194 1 3 . 1 1 68 68 ARG CA C 68 58.254 58.254 58.239 0.015 18431 1195 1 3 . 1 1 68 68 ARG CB C 68 29.605 29.605 29.821 -0.216 18431 1196 1 3 . 1 1 68 68 ARG H H 68 7.117 7.117 7.540 -0.423 18431 1197 1 3 . 1 1 69 69 LEU N N 69 116.573 116.573 120.863 -4.290 18431 1198 1 3 . 1 1 69 69 LEU HA H 69 3.847 3.847 3.861 -0.014 18431 1199 1 3 . 1 1 69 69 LEU CA C 69 56.861 56.861 56.996 -0.135 18431 1200 1 3 . 1 1 69 69 LEU CB C 69 42.950 42.950 41.930 1.020 18431 1201 1 3 . 1 1 69 69 LEU H H 69 7.360 7.360 7.529 -0.169 18431 1202 1 3 . 1 1 70 70 MET N N 70 115.874 115.874 116.534 -0.660 18431 1203 1 3 . 1 1 70 70 MET HA H 70 3.823 3.823 3.741 0.082 18431 1204 1 3 . 1 1 70 70 MET CA C 70 59.195 59.195 58.675 0.520 18431 1205 1 3 . 1 1 70 70 MET CB C 70 32.315 32.315 32.098 0.217 18431 1206 1 3 . 1 1 70 70 MET H H 70 8.769 8.769 7.574 1.195 18431 1207 1 3 . 1 1 71 71 GLN N N 71 114.286 114.286 117.459 -3.173 18431 1208 1 3 . 1 1 71 71 GLN HA H 71 4.416 4.416 3.953 0.463 18431 1209 1 3 . 1 1 71 71 GLN CA C 71 56.527 56.527 58.629 -2.102 18431 1210 1 3 . 1 1 71 71 GLN CB C 71 27.446 27.446 28.295 -0.849 18431 1211 1 3 . 1 1 71 71 GLN H H 71 7.522 7.522 7.725 -0.203 18431 1212 1 3 . 1 1 72 72 GLN N N 72 117.645 117.645 115.662 1.983 18431 1213 1 3 . 1 1 72 72 GLN HA H 72 4.198 4.198 4.049 0.149 18431 1214 1 3 . 1 1 72 72 GLN CA C 72 56.549 56.549 56.766 -0.217 18431 1215 1 3 . 1 1 72 72 GLN CB C 72 28.824 28.824 28.260 0.564 18431 1216 1 3 . 1 1 72 72 GLN H H 72 7.279 7.279 7.453 -0.174 18431 1217 1 3 . 1 1 73 73 SER N N 73 113.600 113.600 114.920 -1.320 18431 1218 1 3 . 1 1 73 73 SER HA H 73 4.504 4.504 4.412 0.092 18431 1219 1 3 . 1 1 73 73 SER CA C 73 57.600 57.600 57.404 0.196 18431 1220 1 3 . 1 1 73 73 SER CB C 73 63.542 63.542 64.473 -0.931 18431 1221 1 3 . 1 1 73 73 SER H H 73 7.588 7.588 7.500 0.088 18431 1222 1 3 . 1 1 74 74 VAL N N 74 121.652 121.652 117.690 3.962 18431 1223 1 3 . 1 1 74 74 VAL HA H 74 4.136 4.136 4.220 -0.084 18431 1224 1 3 . 1 1 74 74 VAL CA C 74 62.985 62.985 62.369 0.616 18431 1225 1 3 . 1 1 74 74 VAL CB C 74 31.797 31.797 32.094 -0.297 18431 1226 1 3 . 1 1 74 74 VAL H H 74 8.300 8.300 8.258 0.042 18431 1227 1 3 . 1 1 75 75 GLU N N 75 120.481 120.481 121.453 -0.972 18431 1228 1 3 . 1 1 75 75 GLU HA H 75 4.415 4.415 4.396 0.019 18431 1229 1 3 . 1 1 75 75 GLU CA C 75 56.061 56.061 56.464 -0.403 18431 1230 1 3 . 1 1 75 75 GLU CB C 75 29.153 29.153 29.863 -0.711 18431 1231 1 3 . 1 1 75 75 GLU H H 75 8.486 8.486 8.362 0.124 18431 1232 1 3 . 1 1 76 76 SER HA H 76 4.498 4.498 4.173 0.325 18431 1233 1 3 . 1 1 76 76 SER CA C 76 59.426 59.426 61.556 -2.130 18431 1234 1 3 . 1 1 76 76 SER CB C 76 64.071 64.071 63.273 0.798 18431 1235 1 3 . 1 1 76 76 SER H H 76 8.142 8.142 8.779 -0.637 18431 1236 1 3 . 1 1 77 77 VAL N N 77 122.712 122.712 121.429 1.283 18431 1237 1 3 . 1 1 77 77 VAL HA H 77 4.036 4.036 3.699 0.337 18431 1238 1 3 . 1 1 77 77 VAL CA C 77 64.600 64.600 65.673 -1.073 18431 1239 1 3 . 1 1 77 77 VAL CB C 77 30.843 30.843 31.701 -0.858 18431 1240 1 3 . 1 1 77 77 VAL H H 77 8.750 8.750 7.955 0.795 18431 1241 1 3 . 1 1 78 78 TRP N N 78 121.247 121.247 119.177 2.070 18431 1242 1 3 . 1 1 78 78 TRP HA H 78 4.507 4.507 4.340 0.167 18431 1243 1 3 . 1 1 78 78 TRP CA C 78 59.753 59.753 60.712 -0.959 18431 1244 1 3 . 1 1 78 78 TRP CB C 78 29.332 29.332 29.318 0.014 18431 1245 1 3 . 1 1 78 78 TRP H H 78 7.837 7.837 7.395 0.442 18431 1246 1 3 . 1 1 79 79 ASN N N 79 119.032 119.032 117.456 1.576 18431 1247 1 3 . 1 1 79 79 ASN HA H 79 4.382 4.382 4.482 -0.100 18431 1248 1 3 . 1 1 79 79 ASN CA C 79 57.406 57.406 56.931 0.475 18431 1249 1 3 . 1 1 79 79 ASN CB C 79 38.813 38.813 38.453 0.360 18431 1250 1 3 . 1 1 79 79 ASN H H 79 7.856 7.856 7.950 -0.094 18431 1251 1 3 . 1 1 80 80 MET N N 80 117.280 117.280 118.787 -1.507 18431 1252 1 3 . 1 1 80 80 MET HA H 80 4.383 4.383 4.324 0.059 18431 1253 1 3 . 1 1 80 80 MET CA C 80 58.111 58.111 59.062 -0.951 18431 1254 1 3 . 1 1 80 80 MET CB C 80 32.350 32.350 32.621 -0.271 18431 1255 1 3 . 1 1 80 80 MET H H 80 7.765 7.765 8.688 -0.923 18431 1256 1 3 . 1 1 81 81 ALA N N 81 123.582 123.582 122.690 0.892 18431 1257 1 3 . 1 1 81 81 ALA HA H 81 4.220 4.220 4.122 0.098 18431 1258 1 3 . 1 1 81 81 ALA CA C 81 54.997 54.997 55.200 -0.203 18431 1259 1 3 . 1 1 81 81 ALA CB C 81 17.615 17.615 17.977 -0.361 18431 1260 1 3 . 1 1 81 81 ALA H H 81 8.019 8.019 7.937 0.082 18431 1261 1 3 . 1 1 82 82 PHE N N 82 117.853 117.853 119.804 -1.951 18431 1262 1 3 . 1 1 82 82 PHE HA H 82 4.201 4.201 4.291 -0.090 18431 1263 1 3 . 1 1 82 82 PHE CA C 82 62.679 62.679 60.646 2.033 18431 1264 1 3 . 1 1 82 82 PHE CB C 82 38.078 38.078 38.976 -0.898 18431 1265 1 3 . 1 1 82 82 PHE H H 82 8.455 8.455 8.293 0.162 18431 1266 1 3 . 1 1 83 83 ASP N N 83 118.244 118.244 119.675 -1.431 18431 1267 1 3 . 1 1 83 83 ASP HA H 83 4.250 4.250 3.960 0.290 18431 1268 1 3 . 1 1 83 83 ASP CA C 83 57.602 57.602 57.495 0.107 18431 1269 1 3 . 1 1 83 83 ASP CB C 83 40.117 40.117 40.732 -0.615 18431 1270 1 3 . 1 1 83 83 ASP H H 83 7.615 7.615 7.873 -0.258 18431 1271 1 3 . 1 1 84 84 PHE N N 84 120.090 120.090 120.104 -0.014 18431 1272 1 3 . 1 1 84 84 PHE HA H 84 4.319 4.319 4.281 0.038 18431 1273 1 3 . 1 1 84 84 PHE CA C 84 61.110 61.110 61.379 -0.269 18431 1274 1 3 . 1 1 84 84 PHE CB C 84 39.225 39.225 39.645 -0.420 18431 1275 1 3 . 1 1 84 84 PHE H H 84 7.849 7.849 7.602 0.247 18431 1276 1 3 . 1 1 85 85 ILE N N 85 122.915 122.915 120.095 2.820 18431 1277 1 3 . 1 1 85 85 ILE HA H 85 3.372 3.372 3.545 -0.173 18431 1278 1 3 . 1 1 85 85 ILE CA C 85 65.864 65.864 66.031 -0.167 18431 1279 1 3 . 1 1 85 85 ILE CB C 85 38.422 38.422 38.012 0.410 18431 1280 1 3 . 1 1 85 85 ILE H H 85 8.687 8.687 8.656 0.031 18431 1281 1 3 . 1 1 86 86 LEU N N 86 119.481 119.481 117.301 2.180 18431 1282 1 3 . 1 1 86 86 LEU HA H 86 3.715 3.715 3.910 -0.195 18431 1283 1 3 . 1 1 86 86 LEU CA C 86 57.875 57.875 58.572 -0.697 18431 1284 1 3 . 1 1 86 86 LEU CB C 86 40.602 40.602 40.666 -0.064 18431 1285 1 3 . 1 1 86 86 LEU H H 86 8.682 8.682 8.282 0.400 18431 1286 1 3 . 1 1 87 87 ASP N N 87 118.290 118.290 118.687 -0.397 18431 1287 1 3 . 1 1 87 87 ASP HA H 87 4.255 4.255 4.200 0.055 18431 1288 1 3 . 1 1 87 87 ASP CA C 87 57.604 57.604 57.071 0.533 18431 1289 1 3 . 1 1 87 87 ASP CB C 87 40.580 40.580 40.629 -0.049 18431 1290 1 3 . 1 1 87 87 ASP H H 87 8.301 8.301 7.567 0.734 18431 1291 1 3 . 1 1 88 88 ASN N N 88 115.606 115.606 117.901 -2.295 18431 1292 1 3 . 1 1 88 88 ASN HA H 88 4.139 4.139 4.358 -0.219 18431 1293 1 3 . 1 1 88 88 ASN CA C 88 57.067 57.067 56.014 1.053 18431 1294 1 3 . 1 1 88 88 ASN CB C 88 39.734 39.734 38.844 0.890 18431 1295 1 3 . 1 1 88 88 ASN H H 88 7.421 7.421 7.867 -0.446 18431 1296 1 3 . 1 1 89 89 VAL N N 89 120.092 120.092 117.084 3.008 18431 1297 1 3 . 1 1 89 89 VAL HA H 89 3.421 3.421 3.926 -0.505 18431 1298 1 3 . 1 1 89 89 VAL CA C 89 66.777 66.777 65.800 0.977 18431 1299 1 3 . 1 1 89 89 VAL CB C 89 31.592 31.592 30.772 0.820 18431 1300 1 3 . 1 1 89 89 VAL H H 89 8.367 8.367 7.757 0.610 18431 1301 1 3 . 1 1 90 90 GLN N N 90 118.315 118.315 118.396 -0.081 18431 1302 1 3 . 1 1 90 90 GLN HA H 90 4.427 4.427 4.136 0.291 18431 1303 1 3 . 1 1 90 90 GLN CA C 90 58.918 58.918 58.383 0.535 18431 1304 1 3 . 1 1 90 90 GLN CB C 90 28.471 28.471 28.562 -0.091 18431 1305 1 3 . 1 1 90 90 GLN H H 90 8.780 8.780 8.080 0.700 18431 1306 1 3 . 1 1 91 91 VAL N N 91 118.757 118.757 119.954 -1.197 18431 1307 1 3 . 1 1 91 91 VAL HA H 91 3.720 3.720 3.749 -0.029 18431 1308 1 3 . 1 1 91 91 VAL CA C 91 66.303 66.303 65.595 0.708 18431 1309 1 3 . 1 1 91 91 VAL CB C 91 31.641 31.641 31.630 0.011 18431 1310 1 3 . 1 1 91 91 VAL H H 91 7.640 7.640 7.644 -0.004 18431 1311 1 3 . 1 1 92 92 VAL N N 92 120.289 120.289 120.249 0.040 18431 1312 1 3 . 1 1 92 92 VAL HA H 92 3.728 3.728 3.675 0.053 18431 1313 1 3 . 1 1 92 92 VAL CA C 92 66.270 66.270 66.490 -0.220 18431 1314 1 3 . 1 1 92 92 VAL CB C 92 31.354 31.354 31.991 -0.637 18431 1315 1 3 . 1 1 92 92 VAL H H 92 7.382 7.382 7.816 -0.434 18431 1316 1 3 . 1 1 93 93 LEU N N 93 123.817 123.817 116.399 7.418 18431 1317 1 3 . 1 1 93 93 LEU HA H 93 4.038 4.038 4.225 -0.187 18431 1318 1 3 . 1 1 93 93 LEU CA C 93 58.777 58.777 57.952 0.825 18431 1319 1 3 . 1 1 93 93 LEU CB C 93 41.790 41.790 41.305 0.485 18431 1320 1 3 . 1 1 93 93 LEU H H 93 8.813 8.813 7.419 1.394 18431 1321 1 3 . 1 1 94 94 GLN N N 94 119.660 119.660 119.576 0.084 18431 1322 1 3 . 1 1 94 94 GLN HA H 94 3.990 3.990 4.277 -0.287 18431 1323 1 3 . 1 1 94 94 GLN CA C 94 58.977 58.977 58.573 0.404 18431 1324 1 3 . 1 1 94 94 GLN CB C 94 28.270 28.270 28.427 -0.157 18431 1325 1 3 . 1 1 94 94 GLN H H 94 8.469 8.469 7.778 0.691 18431 1326 1 3 . 1 1 95 95 GLN N N 95 117.593 117.593 117.083 0.510 18431 1327 1 3 . 1 1 95 95 GLN HA H 95 4.068 4.068 4.158 -0.090 18431 1328 1 3 . 1 1 95 95 GLN CA C 95 57.991 57.991 58.164 -0.173 18431 1329 1 3 . 1 1 95 95 GLN CB C 95 28.548 28.548 28.743 -0.195 18431 1330 1 3 . 1 1 95 95 GLN H H 95 8.088 8.088 7.685 0.403 18431 1331 1 3 . 1 1 96 96 THR N N 96 113.065 113.065 112.312 0.753 18431 1332 1 3 . 1 1 96 96 THR HA H 96 4.003 4.003 4.136 -0.133 18431 1333 1 3 . 1 1 96 96 THR CA C 96 64.857 64.857 64.048 0.809 18431 1334 1 3 . 1 1 96 96 THR CB C 96 69.618 69.618 69.235 0.383 18431 1335 1 3 . 1 1 96 96 THR H H 96 7.970 7.970 7.674 0.296 18431 1336 1 3 . 1 1 97 97 TYR N N 97 118.178 118.178 118.454 -0.276 18431 1337 1 3 . 1 1 97 97 TYR HA H 97 4.717 4.717 4.611 0.106 18431 1338 1 3 . 1 1 97 97 TYR CA C 97 58.312 58.312 59.360 -1.048 18431 1339 1 3 . 1 1 97 97 TYR CB C 97 40.223 40.223 39.902 0.321 18431 1340 1 3 . 1 1 97 97 TYR H H 97 8.438 8.438 8.233 0.205 18431 1341 1 3 . 1 1 98 98 GLY N N 98 109.735 109.735 105.117 4.618 18431 1342 1 3 . 1 1 98 98 GLY CA C 98 45.908 45.908 45.039 0.869 18431 1343 1 3 . 1 1 98 98 GLY H H 98 8.014 8.014 8.134 -0.120 18431 1344 1 3 . 1 1 99 99 SER N N 99 114.137 114.137 115.020 -0.883 18431 1345 1 3 . 1 1 99 99 SER HA H 99 4.642 4.642 4.819 -0.177 18431 1346 1 3 . 1 1 99 99 SER CA C 99 57.226 57.226 57.009 0.217 18431 1347 1 3 . 1 1 99 99 SER CB C 99 64.294 64.294 65.167 -0.873 18431 1348 1 3 . 1 1 99 99 SER H H 99 7.666 7.666 7.880 -0.214 18431 1349 1 3 . 1 1 100 100 THR N N 100 110.514 110.514 112.237 -1.723 18431 1350 1 3 . 1 1 100 100 THR HA H 100 4.424 4.424 4.539 -0.115 18431 1351 1 3 . 1 1 100 100 THR CA C 100 60.964 60.964 60.727 0.237 18431 1352 1 3 . 1 1 100 100 THR CB C 100 70.303 70.303 71.033 -0.730 18431 1353 1 3 . 1 1 100 100 THR H H 100 7.899 7.899 8.096 -0.197 18431 1354 1 3 . 1 1 101 101 LEU N N 101 124.047 124.047 120.873 3.174 18431 1355 1 3 . 1 1 101 101 LEU HA H 101 4.313 4.313 4.530 -0.217 18431 1356 1 3 . 1 1 101 101 LEU CA C 101 54.930 54.930 54.079 0.851 18431 1357 1 3 . 1 1 101 101 LEU CB C 101 42.501 42.501 43.280 -0.779 18431 1358 1 3 . 1 1 101 101 LEU H H 101 8.847 8.847 8.372 0.475 18431 1359 1 3 . 1 1 102 102 LYS N N 102 124.883 124.883 121.191 3.692 18431 1360 1 3 . 1 1 102 102 LYS HA H 102 4.415 4.415 4.328 0.087 18431 1361 1 3 . 1 1 102 102 LYS CA C 102 55.588 55.588 56.327 -0.739 18431 1362 1 3 . 1 1 102 102 LYS CB C 102 32.596 32.596 33.244 -0.648 18431 1363 1 3 . 1 1 102 102 LYS H H 102 8.578 8.578 8.332 0.246 18431 1364 1 3 . 1 1 103 103 VAL N N 103 122.753 122.753 126.309 -3.556 18431 1365 1 3 . 1 1 103 103 VAL HA H 103 4.237 4.237 4.402 -0.165 18431 1366 1 3 . 1 1 103 103 VAL CA C 103 61.956 61.956 61.199 0.757 18431 1367 1 3 . 1 1 103 103 VAL CB C 103 32.747 32.747 31.858 0.889 18431 1368 1 3 . 1 1 103 103 VAL H H 103 8.348 8.348 8.483 -0.135 18431 1369 1 4 . 1 1 9 9 ALA N N 9 123.345 123.345 126.340 -2.995 18431 1370 1 4 . 1 1 9 9 ALA HA H 9 4.549 4.549 4.476 0.073 18431 1371 1 4 . 1 1 9 9 ALA CA C 9 50.151 50.151 51.173 -1.022 18431 1372 1 4 . 1 1 9 9 ALA CB C 9 18.185 18.185 18.575 -0.390 18431 1373 1 4 . 1 1 9 9 ALA H H 9 7.992 7.992 8.215 -0.223 18431 1374 1 4 . 1 1 10 10 PRO HA H 10 4.299 4.299 4.421 -0.122 18431 1375 1 4 . 1 1 10 10 PRO CA C 10 62.937 62.937 62.675 0.262 18431 1376 1 4 . 1 1 10 10 PRO CB C 10 31.902 31.902 32.382 -0.480 18431 1377 1 4 . 1 1 11 11 ASN N N 11 117.877 117.877 115.374 2.503 18431 1378 1 4 . 1 1 11 11 ASN HA H 11 4.646 4.646 4.815 -0.169 18431 1379 1 4 . 1 1 11 11 ASN CA C 11 53.077 53.077 52.924 0.153 18431 1380 1 4 . 1 1 11 11 ASN CB C 11 38.590 38.590 39.066 -0.476 18431 1381 1 4 . 1 1 11 11 ASN H H 11 8.467 8.467 8.208 0.259 18431 1382 1 4 . 1 1 12 12 LEU N N 12 122.874 122.874 118.982 3.892 18431 1383 1 4 . 1 1 12 12 LEU HA H 12 4.290 4.290 5.001 -0.711 18431 1384 1 4 . 1 1 12 12 LEU CA C 12 55.170 55.170 55.374 -0.204 18431 1385 1 4 . 1 1 12 12 LEU CB C 12 42.131 42.131 42.579 -0.448 18431 1386 1 4 . 1 1 12 12 LEU H H 12 8.196 8.196 8.662 -0.466 18431 1387 1 4 . 1 1 13 13 ALA N N 13 123.854 123.854 122.791 1.063 18431 1388 1 4 . 1 1 13 13 ALA HA H 13 4.243 4.243 4.527 -0.284 18431 1389 1 4 . 1 1 13 13 ALA CA C 13 52.672 52.672 52.419 0.253 18431 1390 1 4 . 1 1 13 13 ALA CB C 13 18.923 18.923 19.441 -0.518 18431 1391 1 4 . 1 1 13 13 ALA H H 13 8.214 8.214 8.215 -0.001 18431 1392 1 4 . 1 1 14 14 GLY N N 14 107.993 107.993 106.739 1.254 18431 1393 1 4 . 1 1 14 14 GLY CA C 14 44.989 44.989 44.923 0.066 18431 1394 1 4 . 1 1 14 14 GLY H H 14 8.246 8.246 8.064 0.182 18431 1395 1 4 . 1 1 15 15 ALA N N 15 123.594 123.594 121.376 2.218 18431 1396 1 4 . 1 1 15 15 ALA HA H 15 4.330 4.330 4.047 0.283 18431 1397 1 4 . 1 1 15 15 ALA CA C 15 52.147 52.147 52.558 -0.411 18431 1398 1 4 . 1 1 15 15 ALA CB C 15 18.941 18.941 17.885 1.056 18431 1399 1 4 . 1 1 15 15 ALA H H 15 8.017 8.017 7.940 0.077 18431 1400 1 4 . 1 1 16 16 VAL N N 16 119.010 119.010 112.739 6.271 18431 1401 1 4 . 1 1 16 16 VAL HA H 16 4.036 4.036 3.861 0.175 18431 1402 1 4 . 1 1 16 16 VAL CA C 16 62.127 62.127 64.298 -2.171 18431 1403 1 4 . 1 1 16 16 VAL CB C 16 32.727 32.727 31.745 0.982 18431 1404 1 4 . 1 1 16 16 VAL H H 16 8.060 8.060 8.163 -0.103 18431 1405 1 4 . 1 1 17 17 GLU N N 17 124.211 124.211 119.010 5.201 18431 1406 1 4 . 1 1 17 17 GLU HA H 17 4.429 4.429 4.343 0.086 18431 1407 1 4 . 1 1 17 17 GLU CA C 17 57.429 57.429 55.363 2.066 18431 1408 1 4 . 1 1 17 17 GLU CB C 17 29.421 29.421 30.506 -1.085 18431 1409 1 4 . 1 1 17 17 GLU H H 17 8.436 8.436 7.594 0.842 18431 1410 1 4 . 1 1 18 18 PHE HA H 18 4.291 4.291 4.108 0.183 18431 1411 1 4 . 1 1 18 18 PHE CA C 18 60.955 60.955 61.522 -0.567 18431 1412 1 4 . 1 1 18 18 PHE CB C 18 38.464 38.464 39.464 -1.000 18431 1413 1 4 . 1 1 19 19 SER N N 19 112.147 112.147 113.291 -1.144 18431 1414 1 4 . 1 1 19 19 SER HA H 19 3.659 3.659 4.008 -0.349 18431 1415 1 4 . 1 1 19 19 SER CA C 19 61.576 61.576 61.075 0.501 18431 1416 1 4 . 1 1 19 19 SER CB C 19 61.649 61.649 62.167 -0.518 18431 1417 1 4 . 1 1 19 19 SER H H 19 8.871 8.871 8.375 0.496 18431 1418 1 4 . 1 1 20 20 ASP N N 20 120.916 120.916 123.006 -2.090 18431 1419 1 4 . 1 1 20 20 ASP HA H 20 4.492 4.492 4.413 0.079 18431 1420 1 4 . 1 1 20 20 ASP CA C 20 56.696 56.696 56.930 -0.234 18431 1421 1 4 . 1 1 20 20 ASP CB C 20 40.543 40.543 41.040 -0.497 18431 1422 1 4 . 1 1 20 20 ASP H H 20 7.019 7.019 7.606 -0.587 18431 1423 1 4 . 1 1 21 21 VAL HA H 21 3.224 3.224 3.440 -0.216 18431 1424 1 4 . 1 1 21 21 VAL CA C 21 66.801 66.801 66.187 0.614 18431 1425 1 4 . 1 1 21 21 VAL CB C 21 31.741 31.741 31.565 0.176 18431 1426 1 4 . 1 1 22 22 LYS HA H 22 3.435 3.435 3.863 -0.428 18431 1427 1 4 . 1 1 22 22 LYS CA C 22 60.282 60.282 59.673 0.609 18431 1428 1 4 . 1 1 22 22 LYS CB C 22 31.283 31.283 31.845 -0.562 18431 1429 1 4 . 1 1 23 23 THR N N 23 116.224 116.224 116.989 -0.765 18431 1430 1 4 . 1 1 23 23 THR HA H 23 3.796 3.796 4.123 -0.327 18431 1431 1 4 . 1 1 23 23 THR CA C 23 66.591 66.591 66.417 0.174 18431 1432 1 4 . 1 1 23 23 THR CB C 23 68.361 68.361 68.479 -0.118 18431 1433 1 4 . 1 1 23 23 THR H H 23 7.391 7.391 7.463 -0.072 18431 1434 1 4 . 1 1 24 24 LEU HA H 24 4.022 4.022 4.187 -0.165 18431 1435 1 4 . 1 1 24 24 LEU CA C 24 57.911 57.911 58.422 -0.511 18431 1436 1 4 . 1 1 24 24 LEU CB C 24 42.110 42.110 40.842 1.268 18431 1437 1 4 . 1 1 24 24 LEU H H 24 7.699 7.699 7.565 0.134 18431 1438 1 4 . 1 1 25 25 LEU N N 25 118.389 118.389 120.371 -1.982 18431 1439 1 4 . 1 1 25 25 LEU HA H 25 4.135 4.135 4.174 -0.039 18431 1440 1 4 . 1 1 25 25 LEU CA C 25 57.864 57.864 58.039 -0.175 18431 1441 1 4 . 1 1 25 25 LEU CB C 25 42.653 42.653 41.697 0.956 18431 1442 1 4 . 1 1 25 25 LEU H H 25 8.331 8.331 8.157 0.174 18431 1443 1 4 . 1 1 26 26 LYS N N 26 118.433 118.433 118.269 0.164 18431 1444 1 4 . 1 1 26 26 LYS HA H 26 3.833 3.833 3.973 -0.140 18431 1445 1 4 . 1 1 26 26 LYS CA C 26 60.095 60.095 58.851 1.244 18431 1446 1 4 . 1 1 26 26 LYS CB C 26 31.623 31.623 32.223 -0.600 18431 1447 1 4 . 1 1 26 26 LYS H H 26 8.464 8.464 7.947 0.517 18431 1448 1 4 . 1 1 27 27 GLU N N 27 120.838 120.838 120.762 0.076 18431 1449 1 4 . 1 1 27 27 GLU HA H 27 3.945 3.945 4.260 -0.315 18431 1450 1 4 . 1 1 27 27 GLU CA C 27 59.509 59.509 58.811 0.698 18431 1451 1 4 . 1 1 27 27 GLU CB C 27 29.199 29.199 29.867 -0.668 18431 1452 1 4 . 1 1 27 27 GLU H H 27 8.246 8.246 8.641 -0.395 18431 1453 1 4 . 1 1 28 28 TRP N N 28 122.200 122.200 121.043 1.157 18431 1454 1 4 . 1 1 28 28 TRP HA H 28 4.597 4.597 4.577 0.020 18431 1455 1 4 . 1 1 28 28 TRP CA C 28 59.443 59.443 60.967 -1.524 18431 1456 1 4 . 1 1 28 28 TRP CB C 28 29.083 29.083 29.447 -0.364 18431 1457 1 4 . 1 1 28 28 TRP H H 28 8.143 8.143 8.599 -0.456 18431 1458 1 4 . 1 1 29 29 ILE N N 29 114.954 114.954 117.196 -2.242 18431 1459 1 4 . 1 1 29 29 ILE HA H 29 2.742 2.742 3.464 -0.722 18431 1460 1 4 . 1 1 29 29 ILE CA C 29 62.759 62.759 63.173 -0.414 18431 1461 1 4 . 1 1 29 29 ILE CB C 29 37.992 37.992 38.115 -0.123 18431 1462 1 4 . 1 1 29 29 ILE H H 29 7.999 7.999 7.220 0.779 18431 1463 1 4 . 1 1 30 30 THR N N 30 106.869 106.869 114.031 -7.162 18431 1464 1 4 . 1 1 30 30 THR HA H 30 4.117 4.117 4.098 0.019 18431 1465 1 4 . 1 1 30 30 THR CA C 30 63.447 63.447 64.969 -1.522 18431 1466 1 4 . 1 1 30 30 THR CB C 30 70.045 70.045 68.982 1.063 18431 1467 1 4 . 1 1 30 30 THR H H 30 7.622 7.622 8.022 -0.400 18431 1468 1 4 . 1 1 31 31 THR N N 31 111.890 111.890 115.147 -3.257 18431 1469 1 4 . 1 1 31 31 THR HA H 31 4.503 4.503 4.144 0.359 18431 1470 1 4 . 1 1 31 31 THR CA C 31 63.231 63.231 64.492 -1.261 18431 1471 1 4 . 1 1 31 31 THR CB C 31 70.556 70.556 69.137 1.419 18431 1472 1 4 . 1 1 31 31 THR H H 31 7.588 7.588 8.110 -0.522 18431 1473 1 4 . 1 1 32 32 ILE N N 32 123.663 123.663 121.782 1.881 18431 1474 1 4 . 1 1 32 32 ILE HA H 32 4.499 4.499 4.308 0.191 18431 1475 1 4 . 1 1 32 32 ILE CA C 32 59.426 59.426 59.986 -0.561 18431 1476 1 4 . 1 1 32 32 ILE CB C 32 37.378 37.378 38.082 -0.704 18431 1477 1 4 . 1 1 32 32 ILE H H 32 7.929 7.929 7.528 0.401 18431 1478 1 4 . 1 1 33 33 SER N N 33 119.544 119.544 117.670 1.874 18431 1479 1 4 . 1 1 33 33 SER HA H 33 4.523 4.523 4.775 -0.252 18431 1480 1 4 . 1 1 33 33 SER CA C 33 59.189 59.189 59.084 0.105 18431 1481 1 4 . 1 1 33 33 SER CB C 33 63.838 63.838 65.523 -1.685 18431 1482 1 4 . 1 1 33 33 SER H H 33 8.418 8.418 8.627 -0.209 18431 1483 1 4 . 1 1 34 34 ASP HA H 34 4.821 4.821 4.900 -0.079 18431 1484 1 4 . 1 1 34 34 ASP CA C 34 51.168 51.168 51.928 -0.760 18431 1485 1 4 . 1 1 34 34 ASP CB C 34 41.139 41.139 42.361 -1.222 18431 1486 1 4 . 1 1 34 34 ASP H H 34 7.730 7.730 8.242 -0.512 18431 1487 1 4 . 1 1 35 35 PRO HA H 35 4.167 4.167 4.403 -0.236 18431 1488 1 4 . 1 1 35 35 PRO CA C 35 62.085 62.085 62.699 -0.614 18431 1489 1 4 . 1 1 35 35 PRO CB C 35 31.767 31.767 32.502 -0.735 18431 1490 1 4 . 1 1 36 36 MET N N 36 121.309 121.309 118.522 2.787 18431 1491 1 4 . 1 1 36 36 MET HA H 36 4.565 4.565 4.534 0.031 18431 1492 1 4 . 1 1 36 36 MET CA C 36 53.867 53.867 53.840 0.027 18431 1493 1 4 . 1 1 36 36 MET CB C 36 32.411 32.411 34.740 -2.329 18431 1494 1 4 . 1 1 36 36 MET H H 36 9.165 9.165 8.513 0.652 18431 1495 1 4 . 1 1 37 37 GLU N N 37 125.284 125.284 121.021 4.263 18431 1496 1 4 . 1 1 37 37 GLU HA H 37 3.744 3.744 3.847 -0.103 18431 1497 1 4 . 1 1 37 37 GLU CA C 37 60.307 60.307 59.608 0.699 18431 1498 1 4 . 1 1 37 37 GLU CB C 37 29.448 29.448 28.951 0.497 18431 1499 1 4 . 1 1 37 37 GLU H H 37 9.034 9.034 8.795 0.239 18431 1500 1 4 . 1 1 38 38 GLU N N 38 116.000 116.000 117.384 -1.384 18431 1501 1 4 . 1 1 38 38 GLU HA H 38 4.003 4.003 4.031 -0.028 18431 1502 1 4 . 1 1 38 38 GLU CA C 38 59.588 59.588 59.039 0.548 18431 1503 1 4 . 1 1 38 38 GLU CB C 38 29.280 29.280 28.813 0.467 18431 1504 1 4 . 1 1 38 38 GLU H H 38 9.356 9.356 8.713 0.643 18431 1505 1 4 . 1 1 39 39 ASP N N 39 118.974 118.974 120.714 -1.740 18431 1506 1 4 . 1 1 39 39 ASP HA H 39 4.493 4.493 4.419 0.074 18431 1507 1 4 . 1 1 39 39 ASP CA C 39 57.231 57.231 57.665 -0.434 18431 1508 1 4 . 1 1 39 39 ASP CB C 39 41.226 41.226 40.578 0.648 18431 1509 1 4 . 1 1 39 39 ASP H H 39 7.169 7.169 7.949 -0.780 18431 1510 1 4 . 1 1 40 40 ILE N N 40 120.269 120.269 118.736 1.533 18431 1511 1 4 . 1 1 40 40 ILE HA H 40 3.845 3.845 4.045 -0.200 18431 1512 1 4 . 1 1 40 40 ILE CA C 40 65.345 65.345 64.710 0.635 18431 1513 1 4 . 1 1 40 40 ILE CB C 40 37.500 37.500 38.130 -0.630 18431 1514 1 4 . 1 1 40 40 ILE H H 40 7.766 7.766 7.304 0.462 18431 1515 1 4 . 1 1 41 41 LEU N N 41 118.715 118.715 119.400 -0.685 18431 1516 1 4 . 1 1 41 41 LEU HA H 41 4.131 4.131 4.201 -0.070 18431 1517 1 4 . 1 1 41 41 LEU CA C 41 57.835 57.835 57.513 0.322 18431 1518 1 4 . 1 1 41 41 LEU CB C 41 40.819 40.819 40.713 0.106 18431 1519 1 4 . 1 1 41 41 LEU H H 41 8.726 8.726 7.293 1.433 18431 1520 1 4 . 1 1 42 42 GLN N N 42 119.539 119.539 118.757 0.782 18431 1521 1 4 . 1 1 42 42 GLN HA H 42 4.177 4.177 4.096 0.081 18431 1522 1 4 . 1 1 42 42 GLN CA C 42 59.241 59.241 58.460 0.781 18431 1523 1 4 . 1 1 42 42 GLN CB C 42 28.518 28.518 28.347 0.171 18431 1524 1 4 . 1 1 42 42 GLN H H 42 7.768 7.768 8.110 -0.342 18431 1525 1 4 . 1 1 43 43 VAL N N 43 121.194 121.194 115.120 6.074 18431 1526 1 4 . 1 1 43 43 VAL HA H 43 3.787 3.787 3.672 0.115 18431 1527 1 4 . 1 1 43 43 VAL CA C 43 66.760 66.760 65.755 1.005 18431 1528 1 4 . 1 1 43 43 VAL CB C 43 31.423 31.423 31.218 0.205 18431 1529 1 4 . 1 1 43 43 VAL H H 43 7.712 7.712 7.406 0.306 18431 1530 1 4 . 1 1 44 44 VAL N N 44 120.876 120.876 119.045 1.831 18431 1531 1 4 . 1 1 44 44 VAL HA H 44 3.422 3.422 3.909 -0.487 18431 1532 1 4 . 1 1 44 44 VAL CA C 44 67.910 67.910 65.206 2.704 18431 1533 1 4 . 1 1 44 44 VAL CB C 44 31.392 31.392 30.629 0.763 18431 1534 1 4 . 1 1 44 44 VAL H H 44 8.232 8.232 7.538 0.694 18431 1535 1 4 . 1 1 45 45 ARG N N 45 120.934 120.934 121.446 -0.512 18431 1536 1 4 . 1 1 45 45 ARG HA H 45 4.148 4.148 4.076 0.072 18431 1537 1 4 . 1 1 45 45 ARG CA C 45 58.593 58.593 58.385 0.208 18431 1538 1 4 . 1 1 45 45 ARG CB C 45 29.608 29.608 29.537 0.071 18431 1539 1 4 . 1 1 45 45 ARG H H 45 8.489 8.489 7.729 0.760 18431 1540 1 4 . 1 1 46 46 TYR N N 46 120.548 120.548 120.861 -0.313 18431 1541 1 4 . 1 1 46 46 TYR HA H 46 4.547 4.547 4.330 0.217 18431 1542 1 4 . 1 1 46 46 TYR CA C 46 60.926 60.926 61.339 -0.413 18431 1543 1 4 . 1 1 46 46 TYR CB C 46 38.447 38.447 38.468 -0.021 18431 1544 1 4 . 1 1 46 46 TYR H H 46 7.870 7.870 7.753 0.117 18431 1545 1 4 . 1 1 47 47 CYS N N 47 115.132 115.132 117.919 -2.787 18431 1546 1 4 . 1 1 47 47 CYS HA H 47 3.738 3.738 3.827 -0.089 18431 1547 1 4 . 1 1 47 47 CYS CA C 47 64.313 64.313 62.533 1.780 18431 1548 1 4 . 1 1 47 47 CYS CB C 47 27.744 27.744 26.543 1.201 18431 1549 1 4 . 1 1 47 47 CYS H H 47 8.109 8.109 7.803 0.306 18431 1550 1 4 . 1 1 48 48 THR N N 48 114.153 114.153 116.691 -2.538 18431 1551 1 4 . 1 1 48 48 THR HA H 48 3.877 3.877 3.979 -0.102 18431 1552 1 4 . 1 1 48 48 THR CA C 48 66.755 66.755 67.501 -0.746 18431 1553 1 4 . 1 1 48 48 THR CB C 48 67.593 67.593 68.224 -0.631 18431 1554 1 4 . 1 1 48 48 THR H H 48 8.776 8.776 7.884 0.892 18431 1555 1 4 . 1 1 49 49 ASP N N 49 126.528 126.528 121.312 5.216 18431 1556 1 4 . 1 1 49 49 ASP HA H 49 4.425 4.425 4.371 0.054 18431 1557 1 4 . 1 1 49 49 ASP CA C 49 57.688 57.688 57.075 0.613 18431 1558 1 4 . 1 1 49 49 ASP CB C 49 39.249 39.249 40.643 -1.394 18431 1559 1 4 . 1 1 49 49 ASP H H 49 8.697 8.697 7.788 0.909 18431 1560 1 4 . 1 1 50 50 LEU HA H 50 3.924 3.924 4.149 -0.225 18431 1561 1 4 . 1 1 50 50 LEU CA C 50 58.157 58.157 57.317 0.840 18431 1562 1 4 . 1 1 50 50 LEU CB C 50 41.408 41.408 42.023 -0.615 18431 1563 1 4 . 1 1 51 51 ILE N N 51 118.832 118.832 118.125 0.707 18431 1564 1 4 . 1 1 51 51 ILE HA H 51 3.417 3.417 3.738 -0.321 18431 1565 1 4 . 1 1 51 51 ILE CA C 51 66.261 66.261 65.025 1.236 18431 1566 1 4 . 1 1 51 51 ILE CB C 51 37.691 37.691 37.412 0.279 18431 1567 1 4 . 1 1 51 51 ILE H H 51 7.639 7.639 7.475 0.164 18431 1568 1 4 . 1 1 52 52 GLU N N 52 123.247 123.247 119.201 4.046 18431 1569 1 4 . 1 1 52 52 GLU HA H 52 4.001 4.001 4.145 -0.144 18431 1570 1 4 . 1 1 52 52 GLU CA C 52 59.592 59.592 58.612 0.980 18431 1571 1 4 . 1 1 52 52 GLU CB C 52 29.068 29.068 29.714 -0.646 18431 1572 1 4 . 1 1 52 52 GLU H H 52 8.506 8.506 7.890 0.616 18431 1573 1 4 . 1 1 53 53 GLU N N 53 116.384 116.384 116.230 0.154 18431 1574 1 4 . 1 1 53 53 GLU HA H 53 4.294 4.294 4.440 -0.146 18431 1575 1 4 . 1 1 53 53 GLU CA C 53 55.907 55.907 55.907 0.000 18431 1576 1 4 . 1 1 53 53 GLU CB C 53 29.710 29.710 29.534 0.176 18431 1577 1 4 . 1 1 53 53 GLU H H 53 7.716 7.716 7.717 -0.001 18431 1578 1 4 . 1 1 54 54 LYS N N 54 116.934 116.934 114.474 2.460 18431 1579 1 4 . 1 1 54 54 LYS HA H 54 3.662 3.662 3.985 -0.323 18431 1580 1 4 . 1 1 54 54 LYS CA C 54 57.278 57.278 58.108 -0.830 18431 1581 1 4 . 1 1 54 54 LYS CB C 54 29.785 29.785 30.220 -0.435 18431 1582 1 4 . 1 1 54 54 LYS H H 54 8.089 8.089 7.467 0.622 18431 1583 1 4 . 1 1 55 55 ASP N N 55 122.549 122.549 118.743 3.806 18431 1584 1 4 . 1 1 55 55 ASP HA H 55 5.058 5.058 4.862 0.196 18431 1585 1 4 . 1 1 55 55 ASP CA C 55 51.306 51.306 53.459 -2.152 18431 1586 1 4 . 1 1 55 55 ASP CB C 55 38.856 38.856 40.226 -1.370 18431 1587 1 4 . 1 1 55 55 ASP H H 55 8.497 8.497 8.367 0.130 18431 1588 1 4 . 1 1 56 56 LEU N N 56 119.627 119.627 116.707 2.920 18431 1589 1 4 . 1 1 56 56 LEU HA H 56 3.901 3.901 4.407 -0.506 18431 1590 1 4 . 1 1 56 56 LEU CA C 56 56.528 56.528 55.102 1.426 18431 1591 1 4 . 1 1 56 56 LEU CB C 56 40.034 40.034 40.339 -0.305 18431 1592 1 4 . 1 1 56 56 LEU H H 56 7.578 7.578 7.959 -0.381 18431 1593 1 4 . 1 1 57 57 GLU N N 57 121.433 121.433 121.431 0.002 18431 1594 1 4 . 1 1 57 57 GLU HA H 57 4.041 4.041 3.884 0.157 18431 1595 1 4 . 1 1 57 57 GLU CA C 57 59.321 59.321 59.694 -0.373 18431 1596 1 4 . 1 1 57 57 GLU CB C 57 29.229 29.229 28.987 0.242 18431 1597 1 4 . 1 1 57 57 GLU H H 57 8.614 8.614 8.443 0.171 18431 1598 1 4 . 1 1 58 58 LYS N N 58 119.832 119.832 117.927 1.905 18431 1599 1 4 . 1 1 58 58 LYS HA H 58 3.760 3.760 4.157 -0.397 18431 1600 1 4 . 1 1 58 58 LYS CA C 58 59.273 59.273 58.355 0.918 18431 1601 1 4 . 1 1 58 58 LYS CB C 58 32.370 32.370 32.242 0.128 18431 1602 1 4 . 1 1 58 58 LYS H H 58 7.527 7.527 7.789 -0.262 18431 1603 1 4 . 1 1 59 59 LEU N N 59 117.844 117.844 121.923 -4.079 18431 1604 1 4 . 1 1 59 59 LEU HA H 59 3.912 3.912 4.077 -0.165 18431 1605 1 4 . 1 1 59 59 LEU CA C 59 57.865 57.865 58.044 -0.179 18431 1606 1 4 . 1 1 59 59 LEU CB C 59 41.382 41.382 41.582 -0.200 18431 1607 1 4 . 1 1 59 59 LEU H H 59 7.570 7.570 7.756 -0.186 18431 1608 1 4 . 1 1 60 60 ASP N N 60 117.630 117.630 118.669 -1.039 18431 1609 1 4 . 1 1 60 60 ASP HA H 60 4.273 4.273 4.358 -0.085 18431 1610 1 4 . 1 1 60 60 ASP CA C 60 57.695 57.695 58.138 -0.443 18431 1611 1 4 . 1 1 60 60 ASP CB C 60 42.074 42.074 40.643 1.431 18431 1612 1 4 . 1 1 60 60 ASP H H 60 7.849 7.849 8.219 -0.370 18431 1613 1 4 . 1 1 61 61 LEU N N 61 116.500 116.500 118.547 -2.047 18431 1614 1 4 . 1 1 61 61 LEU HA H 61 3.924 3.924 4.181 -0.257 18431 1615 1 4 . 1 1 61 61 LEU CA C 61 57.886 57.886 57.159 0.727 18431 1616 1 4 . 1 1 61 61 LEU CB C 61 41.825 41.825 41.954 -0.129 18431 1617 1 4 . 1 1 61 61 LEU H H 61 7.484 7.484 7.629 -0.145 18431 1618 1 4 . 1 1 62 62 VAL N N 62 120.681 120.681 120.335 0.346 18431 1619 1 4 . 1 1 62 62 VAL HA H 62 3.963 3.963 3.851 0.112 18431 1620 1 4 . 1 1 62 62 VAL CA C 62 66.843 66.843 66.658 0.185 18431 1621 1 4 . 1 1 62 62 VAL CB C 62 31.954 31.954 31.671 0.283 18431 1622 1 4 . 1 1 62 62 VAL H H 62 8.682 8.682 7.490 1.192 18431 1623 1 4 . 1 1 63 63 ILE N N 63 122.448 122.448 118.241 4.207 18431 1624 1 4 . 1 1 63 63 ILE HA H 63 3.995 3.995 3.829 0.166 18431 1625 1 4 . 1 1 63 63 ILE CA C 63 63.777 63.777 64.633 -0.856 18431 1626 1 4 . 1 1 63 63 ILE CB C 63 35.707 35.707 36.477 -0.770 18431 1627 1 4 . 1 1 63 63 ILE H H 63 8.824 8.824 8.188 0.636 18431 1628 1 4 . 1 1 64 64 LYS N N 64 118.898 118.898 117.723 1.175 18431 1629 1 4 . 1 1 64 64 LYS HA H 64 3.889 3.889 4.135 -0.246 18431 1630 1 4 . 1 1 64 64 LYS CA C 64 60.416 60.416 58.737 1.679 18431 1631 1 4 . 1 1 64 64 LYS CB C 64 32.563 32.563 31.904 0.659 18431 1632 1 4 . 1 1 64 64 LYS H H 64 8.368 8.368 7.892 0.476 18431 1633 1 4 . 1 1 65 65 TYR N N 65 121.217 121.217 122.328 -1.111 18431 1634 1 4 . 1 1 65 65 TYR HA H 65 4.330 4.330 4.391 -0.061 18431 1635 1 4 . 1 1 65 65 TYR CA C 65 61.779 61.779 60.894 0.885 18431 1636 1 4 . 1 1 65 65 TYR CB C 65 38.898 38.898 38.580 0.318 18431 1637 1 4 . 1 1 65 65 TYR H H 65 8.200 8.200 7.478 0.722 18431 1638 1 4 . 1 1 66 66 MET N N 66 116.741 116.741 118.355 -1.614 18431 1639 1 4 . 1 1 66 66 MET HA H 66 3.682 3.682 4.016 -0.334 18431 1640 1 4 . 1 1 66 66 MET CA C 66 60.444 60.444 59.230 1.214 18431 1641 1 4 . 1 1 66 66 MET CB C 66 33.627 33.627 33.213 0.414 18431 1642 1 4 . 1 1 66 66 MET H H 66 8.681 8.681 8.809 -0.128 18431 1643 1 4 . 1 1 67 67 LYS N N 67 119.826 119.826 118.038 1.788 18431 1644 1 4 . 1 1 67 67 LYS HA H 67 2.637 2.637 3.159 -0.522 18431 1645 1 4 . 1 1 67 67 LYS CA C 67 59.949 59.949 58.787 1.162 18431 1646 1 4 . 1 1 67 67 LYS CB C 67 32.596 32.596 31.470 1.126 18431 1647 1 4 . 1 1 67 67 LYS H H 67 8.563 8.563 7.956 0.607 18431 1648 1 4 . 1 1 68 68 ARG N N 68 116.343 116.343 118.227 -1.884 18431 1649 1 4 . 1 1 68 68 ARG HA H 68 3.859 3.859 4.386 -0.527 18431 1650 1 4 . 1 1 68 68 ARG CA C 68 58.254 58.254 57.952 0.302 18431 1651 1 4 . 1 1 68 68 ARG CB C 68 29.605 29.605 29.905 -0.300 18431 1652 1 4 . 1 1 68 68 ARG H H 68 7.117 7.117 7.494 -0.377 18431 1653 1 4 . 1 1 69 69 LEU N N 69 116.573 116.573 121.294 -4.721 18431 1654 1 4 . 1 1 69 69 LEU HA H 69 3.847 3.847 3.951 -0.104 18431 1655 1 4 . 1 1 69 69 LEU CA C 69 56.861 56.861 56.876 -0.015 18431 1656 1 4 . 1 1 69 69 LEU CB C 69 42.950 42.950 42.022 0.928 18431 1657 1 4 . 1 1 69 69 LEU H H 69 7.360 7.360 7.474 -0.114 18431 1658 1 4 . 1 1 70 70 MET N N 70 115.874 115.874 116.855 -0.981 18431 1659 1 4 . 1 1 70 70 MET HA H 70 3.823 3.823 3.785 0.038 18431 1660 1 4 . 1 1 70 70 MET CA C 70 59.195 59.195 58.655 0.540 18431 1661 1 4 . 1 1 70 70 MET CB C 70 32.315 32.315 32.217 0.098 18431 1662 1 4 . 1 1 70 70 MET H H 70 8.769 8.769 8.104 0.665 18431 1663 1 4 . 1 1 71 71 GLN N N 71 114.286 114.286 117.643 -3.357 18431 1664 1 4 . 1 1 71 71 GLN HA H 71 4.416 4.416 3.934 0.482 18431 1665 1 4 . 1 1 71 71 GLN CA C 71 56.527 56.527 58.456 -1.929 18431 1666 1 4 . 1 1 71 71 GLN CB C 71 27.446 27.446 28.524 -1.078 18431 1667 1 4 . 1 1 71 71 GLN H H 71 7.522 7.522 7.708 -0.186 18431 1668 1 4 . 1 1 72 72 GLN N N 72 117.645 117.645 115.766 1.879 18431 1669 1 4 . 1 1 72 72 GLN HA H 72 4.198 4.198 4.037 0.161 18431 1670 1 4 . 1 1 72 72 GLN CA C 72 56.549 56.549 56.819 -0.270 18431 1671 1 4 . 1 1 72 72 GLN CB C 72 28.824 28.824 28.625 0.199 18431 1672 1 4 . 1 1 72 72 GLN H H 72 7.279 7.279 7.518 -0.239 18431 1673 1 4 . 1 1 73 73 SER N N 73 113.600 113.600 115.965 -2.365 18431 1674 1 4 . 1 1 73 73 SER HA H 73 4.504 4.504 4.430 0.074 18431 1675 1 4 . 1 1 73 73 SER CA C 73 57.600 57.600 58.239 -0.639 18431 1676 1 4 . 1 1 73 73 SER CB C 73 63.542 63.542 64.694 -1.152 18431 1677 1 4 . 1 1 73 73 SER H H 73 7.588 7.588 7.597 -0.009 18431 1678 1 4 . 1 1 74 74 VAL N N 74 121.652 121.652 121.060 0.592 18431 1679 1 4 . 1 1 74 74 VAL HA H 74 4.136 4.136 4.119 0.017 18431 1680 1 4 . 1 1 74 74 VAL CA C 74 62.985 62.985 62.261 0.724 18431 1681 1 4 . 1 1 74 74 VAL CB C 74 31.797 31.797 32.732 -0.935 18431 1682 1 4 . 1 1 74 74 VAL H H 74 8.300 8.300 8.398 -0.098 18431 1683 1 4 . 1 1 75 75 GLU N N 75 120.481 120.481 121.278 -0.797 18431 1684 1 4 . 1 1 75 75 GLU HA H 75 4.415 4.415 4.326 0.089 18431 1685 1 4 . 1 1 75 75 GLU CA C 75 56.061 56.061 57.299 -1.238 18431 1686 1 4 . 1 1 75 75 GLU CB C 75 29.153 29.153 29.831 -0.678 18431 1687 1 4 . 1 1 75 75 GLU H H 75 8.486 8.486 8.293 0.193 18431 1688 1 4 . 1 1 76 76 SER HA H 76 4.498 4.498 4.207 0.291 18431 1689 1 4 . 1 1 76 76 SER CA C 76 59.426 59.426 61.748 -2.322 18431 1690 1 4 . 1 1 76 76 SER CB C 76 64.071 64.071 63.106 0.965 18431 1691 1 4 . 1 1 76 76 SER H H 76 8.142 8.142 8.885 -0.743 18431 1692 1 4 . 1 1 77 77 VAL N N 77 122.712 122.712 121.301 1.411 18431 1693 1 4 . 1 1 77 77 VAL HA H 77 4.036 4.036 3.743 0.293 18431 1694 1 4 . 1 1 77 77 VAL CA C 77 64.600 64.600 66.284 -1.684 18431 1695 1 4 . 1 1 77 77 VAL CB C 77 30.843 30.843 31.743 -0.900 18431 1696 1 4 . 1 1 77 77 VAL H H 77 8.750 8.750 7.952 0.798 18431 1697 1 4 . 1 1 78 78 TRP N N 78 121.247 121.247 119.434 1.813 18431 1698 1 4 . 1 1 78 78 TRP HA H 78 4.507 4.507 4.331 0.176 18431 1699 1 4 . 1 1 78 78 TRP CA C 78 59.753 59.753 60.824 -1.071 18431 1700 1 4 . 1 1 78 78 TRP CB C 78 29.332 29.332 29.390 -0.058 18431 1701 1 4 . 1 1 78 78 TRP H H 78 7.837 7.837 7.578 0.259 18431 1702 1 4 . 1 1 79 79 ASN N N 79 119.032 119.032 117.051 1.981 18431 1703 1 4 . 1 1 79 79 ASN HA H 79 4.382 4.382 4.528 -0.146 18431 1704 1 4 . 1 1 79 79 ASN CA C 79 57.406 57.406 56.739 0.667 18431 1705 1 4 . 1 1 79 79 ASN CB C 79 38.813 38.813 38.431 0.382 18431 1706 1 4 . 1 1 79 79 ASN H H 79 7.856 7.856 8.141 -0.285 18431 1707 1 4 . 1 1 80 80 MET N N 80 117.280 117.280 118.454 -1.174 18431 1708 1 4 . 1 1 80 80 MET HA H 80 4.383 4.383 4.395 -0.012 18431 1709 1 4 . 1 1 80 80 MET CA C 80 58.111 58.111 57.598 0.513 18431 1710 1 4 . 1 1 80 80 MET CB C 80 32.350 32.350 31.881 0.469 18431 1711 1 4 . 1 1 80 80 MET H H 80 7.765 7.765 8.578 -0.813 18431 1712 1 4 . 1 1 81 81 ALA N N 81 123.582 123.582 123.223 0.359 18431 1713 1 4 . 1 1 81 81 ALA HA H 81 4.220 4.220 4.091 0.129 18431 1714 1 4 . 1 1 81 81 ALA CA C 81 54.997 54.997 55.283 -0.286 18431 1715 1 4 . 1 1 81 81 ALA CB C 81 17.615 17.615 17.880 -0.265 18431 1716 1 4 . 1 1 81 81 ALA H H 81 8.019 8.019 7.837 0.182 18431 1717 1 4 . 1 1 82 82 PHE N N 82 117.853 117.853 119.548 -1.695 18431 1718 1 4 . 1 1 82 82 PHE HA H 82 4.201 4.201 4.247 -0.046 18431 1719 1 4 . 1 1 82 82 PHE CA C 82 62.679 62.679 60.574 2.105 18431 1720 1 4 . 1 1 82 82 PHE CB C 82 38.078 38.078 38.748 -0.670 18431 1721 1 4 . 1 1 82 82 PHE H H 82 8.455 8.455 8.144 0.311 18431 1722 1 4 . 1 1 83 83 ASP N N 83 118.244 118.244 119.032 -0.788 18431 1723 1 4 . 1 1 83 83 ASP HA H 83 4.250 4.250 3.948 0.302 18431 1724 1 4 . 1 1 83 83 ASP CA C 83 57.602 57.602 58.089 -0.487 18431 1725 1 4 . 1 1 83 83 ASP CB C 83 40.117 40.117 40.760 -0.643 18431 1726 1 4 . 1 1 83 83 ASP H H 83 7.615 7.615 7.886 -0.271 18431 1727 1 4 . 1 1 84 84 PHE N N 84 120.090 120.090 119.278 0.812 18431 1728 1 4 . 1 1 84 84 PHE HA H 84 4.319 4.319 4.222 0.097 18431 1729 1 4 . 1 1 84 84 PHE CA C 84 61.110 61.110 61.266 -0.155 18431 1730 1 4 . 1 1 84 84 PHE CB C 84 39.225 39.225 39.514 -0.289 18431 1731 1 4 . 1 1 84 84 PHE H H 84 7.849 7.849 7.395 0.454 18431 1732 1 4 . 1 1 85 85 ILE N N 85 122.915 122.915 120.072 2.843 18431 1733 1 4 . 1 1 85 85 ILE HA H 85 3.372 3.372 3.601 -0.229 18431 1734 1 4 . 1 1 85 85 ILE CA C 85 65.864 65.864 65.993 -0.129 18431 1735 1 4 . 1 1 85 85 ILE CB C 85 38.422 38.422 38.034 0.388 18431 1736 1 4 . 1 1 85 85 ILE H H 85 8.687 8.687 8.852 -0.165 18431 1737 1 4 . 1 1 86 86 LEU N N 86 119.481 119.481 117.917 1.564 18431 1738 1 4 . 1 1 86 86 LEU HA H 86 3.715 3.715 3.956 -0.241 18431 1739 1 4 . 1 1 86 86 LEU CA C 86 57.875 57.875 58.282 -0.407 18431 1740 1 4 . 1 1 86 86 LEU CB C 86 40.602 40.602 40.787 -0.185 18431 1741 1 4 . 1 1 86 86 LEU H H 86 8.682 8.682 8.261 0.421 18431 1742 1 4 . 1 1 87 87 ASP N N 87 118.290 118.290 119.132 -0.842 18431 1743 1 4 . 1 1 87 87 ASP HA H 87 4.255 4.255 4.258 -0.003 18431 1744 1 4 . 1 1 87 87 ASP CA C 87 57.604 57.604 56.968 0.636 18431 1745 1 4 . 1 1 87 87 ASP CB C 87 40.580 40.580 40.523 0.057 18431 1746 1 4 . 1 1 87 87 ASP H H 87 8.301 8.301 7.688 0.613 18431 1747 1 4 . 1 1 88 88 ASN N N 88 115.606 115.606 118.042 -2.436 18431 1748 1 4 . 1 1 88 88 ASN HA H 88 4.139 4.139 4.410 -0.271 18431 1749 1 4 . 1 1 88 88 ASN CA C 88 57.067 57.067 55.950 1.117 18431 1750 1 4 . 1 1 88 88 ASN CB C 88 39.734 39.734 39.041 0.693 18431 1751 1 4 . 1 1 88 88 ASN H H 88 7.421 7.421 7.933 -0.512 18431 1752 1 4 . 1 1 89 89 VAL N N 89 120.092 120.092 117.232 2.860 18431 1753 1 4 . 1 1 89 89 VAL HA H 89 3.421 3.421 3.991 -0.570 18431 1754 1 4 . 1 1 89 89 VAL CA C 89 66.777 66.777 65.743 1.034 18431 1755 1 4 . 1 1 89 89 VAL CB C 89 31.592 31.592 30.830 0.762 18431 1756 1 4 . 1 1 89 89 VAL H H 89 8.367 8.367 8.063 0.304 18431 1757 1 4 . 1 1 90 90 GLN N N 90 118.315 118.315 118.287 0.028 18431 1758 1 4 . 1 1 90 90 GLN HA H 90 4.427 4.427 4.165 0.262 18431 1759 1 4 . 1 1 90 90 GLN CA C 90 58.918 58.918 58.267 0.651 18431 1760 1 4 . 1 1 90 90 GLN CB C 90 28.471 28.471 28.525 -0.054 18431 1761 1 4 . 1 1 90 90 GLN H H 90 8.780 8.780 7.990 0.790 18431 1762 1 4 . 1 1 91 91 VAL N N 91 118.757 118.757 120.594 -1.837 18431 1763 1 4 . 1 1 91 91 VAL HA H 91 3.720 3.720 3.733 -0.013 18431 1764 1 4 . 1 1 91 91 VAL CA C 91 66.303 66.303 65.640 0.663 18431 1765 1 4 . 1 1 91 91 VAL CB C 91 31.641 31.641 31.610 0.031 18431 1766 1 4 . 1 1 91 91 VAL H H 91 7.640 7.640 7.472 0.168 18431 1767 1 4 . 1 1 92 92 VAL N N 92 120.289 120.289 119.922 0.367 18431 1768 1 4 . 1 1 92 92 VAL HA H 92 3.728 3.728 3.647 0.081 18431 1769 1 4 . 1 1 92 92 VAL CA C 92 66.270 66.270 66.358 -0.088 18431 1770 1 4 . 1 1 92 92 VAL CB C 92 31.354 31.354 31.847 -0.493 18431 1771 1 4 . 1 1 92 92 VAL H H 92 7.382 7.382 7.818 -0.436 18431 1772 1 4 . 1 1 93 93 LEU N N 93 123.817 123.817 116.883 6.934 18431 1773 1 4 . 1 1 93 93 LEU HA H 93 4.038 4.038 4.273 -0.235 18431 1774 1 4 . 1 1 93 93 LEU CA C 93 58.777 58.777 57.787 0.990 18431 1775 1 4 . 1 1 93 93 LEU CB C 93 41.790 41.790 41.489 0.301 18431 1776 1 4 . 1 1 93 93 LEU H H 93 8.813 8.813 7.459 1.354 18431 1777 1 4 . 1 1 94 94 GLN N N 94 119.660 119.660 119.504 0.156 18431 1778 1 4 . 1 1 94 94 GLN HA H 94 3.990 3.990 4.286 -0.296 18431 1779 1 4 . 1 1 94 94 GLN CA C 94 58.977 58.977 58.551 0.426 18431 1780 1 4 . 1 1 94 94 GLN CB C 94 28.270 28.270 28.436 -0.166 18431 1781 1 4 . 1 1 94 94 GLN H H 94 8.469 8.469 7.770 0.699 18431 1782 1 4 . 1 1 95 95 GLN N N 95 117.593 117.593 116.884 0.709 18431 1783 1 4 . 1 1 95 95 GLN HA H 95 4.068 4.068 4.159 -0.091 18431 1784 1 4 . 1 1 95 95 GLN CA C 95 57.991 57.991 58.158 -0.167 18431 1785 1 4 . 1 1 95 95 GLN CB C 95 28.548 28.548 28.748 -0.200 18431 1786 1 4 . 1 1 95 95 GLN H H 95 8.088 8.088 7.622 0.466 18431 1787 1 4 . 1 1 96 96 THR N N 96 113.065 113.065 112.346 0.719 18431 1788 1 4 . 1 1 96 96 THR HA H 96 4.003 4.003 4.146 -0.143 18431 1789 1 4 . 1 1 96 96 THR CA C 96 64.857 64.857 64.013 0.844 18431 1790 1 4 . 1 1 96 96 THR CB C 96 69.618 69.618 69.400 0.218 18431 1791 1 4 . 1 1 96 96 THR H H 96 7.970 7.970 7.622 0.348 18431 1792 1 4 . 1 1 97 97 TYR N N 97 118.178 118.178 118.852 -0.674 18431 1793 1 4 . 1 1 97 97 TYR HA H 97 4.717 4.717 4.524 0.193 18431 1794 1 4 . 1 1 97 97 TYR CA C 97 58.312 58.312 59.759 -1.447 18431 1795 1 4 . 1 1 97 97 TYR CB C 97 40.223 40.223 39.880 0.343 18431 1796 1 4 . 1 1 97 97 TYR H H 97 8.438 8.438 8.436 0.002 18431 1797 1 4 . 1 1 98 98 GLY N N 98 109.735 109.735 104.856 4.879 18431 1798 1 4 . 1 1 98 98 GLY CA C 98 45.908 45.908 45.052 0.856 18431 1799 1 4 . 1 1 98 98 GLY H H 98 8.014 8.014 8.128 -0.114 18431 1800 1 4 . 1 1 99 99 SER N N 99 114.137 114.137 114.378 -0.241 18431 1801 1 4 . 1 1 99 99 SER HA H 99 4.642 4.642 4.736 -0.094 18431 1802 1 4 . 1 1 99 99 SER CA C 99 57.226 57.226 56.764 0.462 18431 1803 1 4 . 1 1 99 99 SER CB C 99 64.294 64.294 65.331 -1.037 18431 1804 1 4 . 1 1 99 99 SER H H 99 7.666 7.666 7.903 -0.237 18431 1805 1 4 . 1 1 100 100 THR N N 100 110.514 110.514 111.352 -0.838 18431 1806 1 4 . 1 1 100 100 THR HA H 100 4.424 4.424 4.506 -0.082 18431 1807 1 4 . 1 1 100 100 THR CA C 100 60.964 60.964 60.593 0.371 18431 1808 1 4 . 1 1 100 100 THR CB C 100 70.303 70.303 71.239 -0.936 18431 1809 1 4 . 1 1 100 100 THR H H 100 7.899 7.899 8.060 -0.161 18431 1810 1 4 . 1 1 101 101 LEU N N 101 124.047 124.047 121.640 2.407 18431 1811 1 4 . 1 1 101 101 LEU HA H 101 4.313 4.313 4.348 -0.035 18431 1812 1 4 . 1 1 101 101 LEU CA C 101 54.930 54.930 54.392 0.538 18431 1813 1 4 . 1 1 101 101 LEU CB C 101 42.501 42.501 42.637 -0.136 18431 1814 1 4 . 1 1 101 101 LEU H H 101 8.847 8.847 8.233 0.614 18431 1815 1 4 . 1 1 102 102 LYS N N 102 124.883 124.883 121.501 3.382 18431 1816 1 4 . 1 1 102 102 LYS HA H 102 4.415 4.415 4.302 0.113 18431 1817 1 4 . 1 1 102 102 LYS CA C 102 55.588 55.588 56.047 -0.459 18431 1818 1 4 . 1 1 102 102 LYS CB C 102 32.596 32.596 32.390 0.206 18431 1819 1 4 . 1 1 102 102 LYS H H 102 8.578 8.578 8.338 0.240 18431 1820 1 4 . 1 1 103 103 VAL N N 103 122.753 122.753 128.937 -6.184 18431 1821 1 4 . 1 1 103 103 VAL HA H 103 4.237 4.237 4.398 -0.161 18431 1822 1 4 . 1 1 103 103 VAL CA C 103 61.956 61.956 61.472 0.484 18431 1823 1 4 . 1 1 103 103 VAL CB C 103 32.747 32.747 31.556 1.191 18431 1824 1 4 . 1 1 103 103 VAL H H 103 8.348 8.348 8.594 -0.246 18431 1825 1 5 . 1 1 9 9 ALA N N 9 123.345 123.345 125.690 -2.345 18431 1826 1 5 . 1 1 9 9 ALA HA H 9 4.549 4.549 4.821 -0.272 18431 1827 1 5 . 1 1 9 9 ALA CA C 9 50.151 50.151 50.377 -0.226 18431 1828 1 5 . 1 1 9 9 ALA CB C 9 18.185 18.185 19.468 -1.283 18431 1829 1 5 . 1 1 9 9 ALA H H 9 7.992 7.992 8.414 -0.422 18431 1830 1 5 . 1 1 10 10 PRO HA H 10 4.299 4.299 4.449 -0.150 18431 1831 1 5 . 1 1 10 10 PRO CA C 10 62.937 62.937 62.958 -0.021 18431 1832 1 5 . 1 1 10 10 PRO CB C 10 31.902 31.902 31.049 0.853 18431 1833 1 5 . 1 1 11 11 ASN N N 11 117.877 117.877 122.124 -4.247 18431 1834 1 5 . 1 1 11 11 ASN HA H 11 4.646 4.646 4.638 0.008 18431 1835 1 5 . 1 1 11 11 ASN CA C 11 53.077 53.077 53.846 -0.769 18431 1836 1 5 . 1 1 11 11 ASN CB C 11 38.590 38.590 39.108 -0.518 18431 1837 1 5 . 1 1 11 11 ASN H H 11 8.467 8.467 8.662 -0.195 18431 1838 1 5 . 1 1 12 12 LEU N N 12 122.874 122.874 120.573 2.301 18431 1839 1 5 . 1 1 12 12 LEU HA H 12 4.290 4.290 4.400 -0.110 18431 1840 1 5 . 1 1 12 12 LEU CA C 12 55.170 55.170 56.016 -0.846 18431 1841 1 5 . 1 1 12 12 LEU CB C 12 42.131 42.131 42.428 -0.297 18431 1842 1 5 . 1 1 12 12 LEU H H 12 8.196 8.196 8.277 -0.081 18431 1843 1 5 . 1 1 13 13 ALA N N 13 123.854 123.854 121.061 2.793 18431 1844 1 5 . 1 1 13 13 ALA HA H 13 4.243 4.243 4.573 -0.330 18431 1845 1 5 . 1 1 13 13 ALA CA C 13 52.672 52.672 51.426 1.246 18431 1846 1 5 . 1 1 13 13 ALA CB C 13 18.923 18.923 20.875 -1.952 18431 1847 1 5 . 1 1 13 13 ALA H H 13 8.214 8.214 7.654 0.560 18431 1848 1 5 . 1 1 14 14 GLY N N 14 107.993 107.993 104.798 3.195 18431 1849 1 5 . 1 1 14 14 GLY CA C 14 44.989 44.989 44.424 0.565 18431 1850 1 5 . 1 1 14 14 GLY H H 14 8.246 8.246 8.460 -0.214 18431 1851 1 5 . 1 1 15 15 ALA N N 15 123.594 123.594 120.951 2.643 18431 1852 1 5 . 1 1 15 15 ALA HA H 15 4.330 4.330 4.018 0.312 18431 1853 1 5 . 1 1 15 15 ALA CA C 15 52.147 52.147 52.103 0.044 18431 1854 1 5 . 1 1 15 15 ALA CB C 15 18.941 18.941 17.203 1.738 18431 1855 1 5 . 1 1 15 15 ALA H H 15 8.017 8.017 7.859 0.158 18431 1856 1 5 . 1 1 16 16 VAL N N 16 119.010 119.010 111.620 7.390 18431 1857 1 5 . 1 1 16 16 VAL HA H 16 4.036 4.036 3.976 0.060 18431 1858 1 5 . 1 1 16 16 VAL CA C 16 62.127 62.127 64.120 -1.993 18431 1859 1 5 . 1 1 16 16 VAL CB C 16 32.727 32.727 32.005 0.722 18431 1860 1 5 . 1 1 16 16 VAL H H 16 8.060 8.060 8.091 -0.031 18431 1861 1 5 . 1 1 17 17 GLU N N 17 124.211 124.211 118.554 5.657 18431 1862 1 5 . 1 1 17 17 GLU HA H 17 4.429 4.429 4.503 -0.074 18431 1863 1 5 . 1 1 17 17 GLU CA C 17 57.429 57.429 55.530 1.899 18431 1864 1 5 . 1 1 17 17 GLU CB C 17 29.421 29.421 31.095 -1.674 18431 1865 1 5 . 1 1 17 17 GLU H H 17 8.436 8.436 7.807 0.629 18431 1866 1 5 . 1 1 18 18 PHE HA H 18 4.291 4.291 4.342 -0.051 18431 1867 1 5 . 1 1 18 18 PHE CA C 18 60.955 60.955 60.492 0.463 18431 1868 1 5 . 1 1 18 18 PHE CB C 18 38.464 38.464 39.510 -1.046 18431 1869 1 5 . 1 1 19 19 SER N N 19 112.147 112.147 114.581 -2.434 18431 1870 1 5 . 1 1 19 19 SER HA H 19 3.659 3.659 3.808 -0.149 18431 1871 1 5 . 1 1 19 19 SER CA C 19 61.576 61.576 62.008 -0.432 18431 1872 1 5 . 1 1 19 19 SER CB C 19 61.649 61.649 62.693 -1.044 18431 1873 1 5 . 1 1 19 19 SER H H 19 8.871 8.871 8.431 0.440 18431 1874 1 5 . 1 1 20 20 ASP N N 20 120.916 120.916 121.382 -0.466 18431 1875 1 5 . 1 1 20 20 ASP HA H 20 4.492 4.492 4.415 0.077 18431 1876 1 5 . 1 1 20 20 ASP CA C 20 56.696 56.696 57.536 -0.840 18431 1877 1 5 . 1 1 20 20 ASP CB C 20 40.543 40.543 40.646 -0.103 18431 1878 1 5 . 1 1 20 20 ASP H H 20 7.019 7.019 7.548 -0.529 18431 1879 1 5 . 1 1 21 21 VAL HA H 21 3.224 3.224 3.653 -0.429 18431 1880 1 5 . 1 1 21 21 VAL CA C 21 66.801 66.801 65.606 1.195 18431 1881 1 5 . 1 1 21 21 VAL CB C 21 31.741 31.741 31.197 0.544 18431 1882 1 5 . 1 1 22 22 LYS HA H 22 3.435 3.435 3.947 -0.512 18431 1883 1 5 . 1 1 22 22 LYS CA C 22 60.282 60.282 60.262 0.020 18431 1884 1 5 . 1 1 22 22 LYS CB C 22 31.283 31.283 31.693 -0.410 18431 1885 1 5 . 1 1 23 23 THR N N 23 116.224 116.224 116.419 -0.195 18431 1886 1 5 . 1 1 23 23 THR HA H 23 3.796 3.796 4.199 -0.403 18431 1887 1 5 . 1 1 23 23 THR CA C 23 66.591 66.591 66.849 -0.258 18431 1888 1 5 . 1 1 23 23 THR CB C 23 68.361 68.361 68.722 -0.361 18431 1889 1 5 . 1 1 23 23 THR H H 23 7.391 7.391 7.403 -0.012 18431 1890 1 5 . 1 1 24 24 LEU HA H 24 4.022 4.022 4.054 -0.032 18431 1891 1 5 . 1 1 24 24 LEU CA C 24 57.911 57.911 58.135 -0.224 18431 1892 1 5 . 1 1 24 24 LEU CB C 24 42.110 42.110 41.878 0.232 18431 1893 1 5 . 1 1 24 24 LEU H H 24 7.699 7.699 7.987 -0.288 18431 1894 1 5 . 1 1 25 25 LEU N N 25 118.389 118.389 119.370 -0.981 18431 1895 1 5 . 1 1 25 25 LEU HA H 25 4.135 4.135 4.178 -0.043 18431 1896 1 5 . 1 1 25 25 LEU CA C 25 57.864 57.864 57.996 -0.132 18431 1897 1 5 . 1 1 25 25 LEU CB C 25 42.653 42.653 41.975 0.678 18431 1898 1 5 . 1 1 25 25 LEU H H 25 8.331 8.331 8.204 0.127 18431 1899 1 5 . 1 1 26 26 LYS N N 26 118.433 118.433 118.480 -0.047 18431 1900 1 5 . 1 1 26 26 LYS HA H 26 3.833 3.833 3.816 0.017 18431 1901 1 5 . 1 1 26 26 LYS CA C 26 60.095 60.095 59.523 0.572 18431 1902 1 5 . 1 1 26 26 LYS CB C 26 31.623 31.623 31.888 -0.265 18431 1903 1 5 . 1 1 26 26 LYS H H 26 8.464 8.464 7.799 0.665 18431 1904 1 5 . 1 1 27 27 GLU N N 27 120.838 120.838 119.462 1.376 18431 1905 1 5 . 1 1 27 27 GLU HA H 27 3.945 3.945 4.233 -0.288 18431 1906 1 5 . 1 1 27 27 GLU CA C 27 59.509 59.509 59.286 0.223 18431 1907 1 5 . 1 1 27 27 GLU CB C 27 29.199 29.199 29.592 -0.393 18431 1908 1 5 . 1 1 27 27 GLU H H 27 8.246 8.246 7.983 0.263 18431 1909 1 5 . 1 1 28 28 TRP N N 28 122.200 122.200 121.286 0.914 18431 1910 1 5 . 1 1 28 28 TRP HA H 28 4.597 4.597 4.610 -0.013 18431 1911 1 5 . 1 1 28 28 TRP CA C 28 59.443 59.443 60.386 -0.943 18431 1912 1 5 . 1 1 28 28 TRP CB C 28 29.083 29.083 29.447 -0.364 18431 1913 1 5 . 1 1 28 28 TRP H H 28 8.143 8.143 7.798 0.345 18431 1914 1 5 . 1 1 29 29 ILE N N 29 114.954 114.954 117.096 -2.142 18431 1915 1 5 . 1 1 29 29 ILE HA H 29 2.742 2.742 3.265 -0.523 18431 1916 1 5 . 1 1 29 29 ILE CA C 29 62.759 62.759 62.834 -0.075 18431 1917 1 5 . 1 1 29 29 ILE CB C 29 37.992 37.992 37.893 0.099 18431 1918 1 5 . 1 1 29 29 ILE H H 29 7.999 7.999 7.572 0.427 18431 1919 1 5 . 1 1 30 30 THR N N 30 106.869 106.869 114.068 -7.199 18431 1920 1 5 . 1 1 30 30 THR HA H 30 4.117 4.117 4.169 -0.052 18431 1921 1 5 . 1 1 30 30 THR CA C 30 63.447 63.447 64.492 -1.045 18431 1922 1 5 . 1 1 30 30 THR CB C 30 70.045 70.045 69.022 1.023 18431 1923 1 5 . 1 1 30 30 THR H H 30 7.622 7.622 7.844 -0.222 18431 1924 1 5 . 1 1 31 31 THR N N 31 111.890 111.890 114.827 -2.937 18431 1925 1 5 . 1 1 31 31 THR HA H 31 4.503 4.503 4.143 0.360 18431 1926 1 5 . 1 1 31 31 THR CA C 31 63.231 63.231 64.368 -1.137 18431 1927 1 5 . 1 1 31 31 THR CB C 31 70.556 70.556 69.166 1.390 18431 1928 1 5 . 1 1 31 31 THR H H 31 7.588 7.588 8.047 -0.459 18431 1929 1 5 . 1 1 32 32 ILE N N 32 123.663 123.663 121.671 1.992 18431 1930 1 5 . 1 1 32 32 ILE HA H 32 4.499 4.499 4.329 0.170 18431 1931 1 5 . 1 1 32 32 ILE CA C 32 59.426 59.426 59.932 -0.506 18431 1932 1 5 . 1 1 32 32 ILE CB C 32 37.378 37.378 38.556 -1.178 18431 1933 1 5 . 1 1 32 32 ILE H H 32 7.929 7.929 7.561 0.368 18431 1934 1 5 . 1 1 33 33 SER N N 33 119.544 119.544 116.821 2.723 18431 1935 1 5 . 1 1 33 33 SER HA H 33 4.523 4.523 4.784 -0.261 18431 1936 1 5 . 1 1 33 33 SER CA C 33 59.189 59.189 58.553 0.636 18431 1937 1 5 . 1 1 33 33 SER CB C 33 63.838 63.838 65.245 -1.407 18431 1938 1 5 . 1 1 33 33 SER H H 33 8.418 8.418 8.539 -0.121 18431 1939 1 5 . 1 1 34 34 ASP HA H 34 4.821 4.821 4.899 -0.078 18431 1940 1 5 . 1 1 34 34 ASP CA C 34 51.168 51.168 51.744 -0.576 18431 1941 1 5 . 1 1 34 34 ASP CB C 34 41.139 41.139 41.975 -0.836 18431 1942 1 5 . 1 1 34 34 ASP H H 34 7.730 7.730 8.241 -0.511 18431 1943 1 5 . 1 1 35 35 PRO HA H 35 4.167 4.167 4.587 -0.420 18431 1944 1 5 . 1 1 35 35 PRO CA C 35 62.085 62.085 62.907 -0.822 18431 1945 1 5 . 1 1 35 35 PRO CB C 35 31.767 31.767 33.035 -1.268 18431 1946 1 5 . 1 1 36 36 MET N N 36 121.309 121.309 117.134 4.175 18431 1947 1 5 . 1 1 36 36 MET HA H 36 4.565 4.565 4.778 -0.213 18431 1948 1 5 . 1 1 36 36 MET CA C 36 53.867 53.867 53.482 0.385 18431 1949 1 5 . 1 1 36 36 MET CB C 36 32.411 32.411 35.117 -2.706 18431 1950 1 5 . 1 1 36 36 MET H H 36 9.165 9.165 7.837 1.328 18431 1951 1 5 . 1 1 37 37 GLU N N 37 125.284 125.284 119.747 5.537 18431 1952 1 5 . 1 1 37 37 GLU HA H 37 3.744 3.744 3.946 -0.202 18431 1953 1 5 . 1 1 37 37 GLU CA C 37 60.307 60.307 59.600 0.707 18431 1954 1 5 . 1 1 37 37 GLU CB C 37 29.448 29.448 28.983 0.465 18431 1955 1 5 . 1 1 37 37 GLU H H 37 9.034 9.034 8.867 0.167 18431 1956 1 5 . 1 1 38 38 GLU N N 38 116.000 116.000 117.821 -1.821 18431 1957 1 5 . 1 1 38 38 GLU HA H 38 4.003 4.003 4.033 -0.030 18431 1958 1 5 . 1 1 38 38 GLU CA C 38 59.588 59.588 59.026 0.562 18431 1959 1 5 . 1 1 38 38 GLU CB C 38 29.280 29.280 28.929 0.351 18431 1960 1 5 . 1 1 38 38 GLU H H 38 9.356 9.356 8.693 0.663 18431 1961 1 5 . 1 1 39 39 ASP N N 39 118.974 118.974 120.622 -1.648 18431 1962 1 5 . 1 1 39 39 ASP HA H 39 4.493 4.493 4.408 0.085 18431 1963 1 5 . 1 1 39 39 ASP CA C 39 57.231 57.231 56.899 0.332 18431 1964 1 5 . 1 1 39 39 ASP CB C 39 41.226 41.226 40.767 0.459 18431 1965 1 5 . 1 1 39 39 ASP H H 39 7.169 7.169 7.765 -0.596 18431 1966 1 5 . 1 1 40 40 ILE N N 40 120.269 120.269 120.462 -0.193 18431 1967 1 5 . 1 1 40 40 ILE HA H 40 3.845 3.845 3.920 -0.075 18431 1968 1 5 . 1 1 40 40 ILE CA C 40 65.345 65.345 65.153 0.193 18431 1969 1 5 . 1 1 40 40 ILE CB C 40 37.500 37.500 38.226 -0.726 18431 1970 1 5 . 1 1 40 40 ILE H H 40 7.766 7.766 7.736 0.030 18431 1971 1 5 . 1 1 41 41 LEU N N 41 118.715 118.715 119.462 -0.747 18431 1972 1 5 . 1 1 41 41 LEU HA H 41 4.131 4.131 4.076 0.055 18431 1973 1 5 . 1 1 41 41 LEU CA C 41 57.835 57.835 57.460 0.375 18431 1974 1 5 . 1 1 41 41 LEU CB C 41 40.819 40.819 41.505 -0.686 18431 1975 1 5 . 1 1 41 41 LEU H H 41 8.726 8.726 8.394 0.332 18431 1976 1 5 . 1 1 42 42 GLN N N 42 119.539 119.539 118.838 0.701 18431 1977 1 5 . 1 1 42 42 GLN HA H 42 4.177 4.177 4.043 0.134 18431 1978 1 5 . 1 1 42 42 GLN CA C 42 59.241 59.241 58.608 0.633 18431 1979 1 5 . 1 1 42 42 GLN CB C 42 28.518 28.518 28.087 0.430 18431 1980 1 5 . 1 1 42 42 GLN H H 42 7.768 7.768 7.564 0.203 18431 1981 1 5 . 1 1 43 43 VAL N N 43 121.194 121.194 115.342 5.852 18431 1982 1 5 . 1 1 43 43 VAL HA H 43 3.787 3.787 3.786 0.001 18431 1983 1 5 . 1 1 43 43 VAL CA C 43 66.760 66.760 65.873 0.887 18431 1984 1 5 . 1 1 43 43 VAL CB C 43 31.423 31.423 31.237 0.186 18431 1985 1 5 . 1 1 43 43 VAL H H 43 7.712 7.712 7.287 0.425 18431 1986 1 5 . 1 1 44 44 VAL N N 44 120.876 120.876 120.523 0.353 18431 1987 1 5 . 1 1 44 44 VAL HA H 44 3.422 3.422 3.714 -0.292 18431 1988 1 5 . 1 1 44 44 VAL CA C 44 67.910 67.910 66.400 1.510 18431 1989 1 5 . 1 1 44 44 VAL CB C 44 31.392 31.392 31.518 -0.126 18431 1990 1 5 . 1 1 44 44 VAL H H 44 8.232 8.232 7.270 0.962 18431 1991 1 5 . 1 1 45 45 ARG N N 45 120.934 120.934 119.417 1.517 18431 1992 1 5 . 1 1 45 45 ARG HA H 45 4.148 4.148 4.016 0.132 18431 1993 1 5 . 1 1 45 45 ARG CA C 45 58.593 58.593 58.623 -0.030 18431 1994 1 5 . 1 1 45 45 ARG CB C 45 29.608 29.608 29.727 -0.119 18431 1995 1 5 . 1 1 45 45 ARG H H 45 8.489 8.489 7.902 0.587 18431 1996 1 5 . 1 1 46 46 TYR N N 46 120.548 120.548 121.163 -0.615 18431 1997 1 5 . 1 1 46 46 TYR HA H 46 4.547 4.547 4.246 0.301 18431 1998 1 5 . 1 1 46 46 TYR CA C 46 60.926 60.926 61.535 -0.609 18431 1999 1 5 . 1 1 46 46 TYR CB C 46 38.447 38.447 37.993 0.454 18431 2000 1 5 . 1 1 46 46 TYR H H 46 7.870 7.870 7.852 0.018 18431 2001 1 5 . 1 1 47 47 CYS N N 47 115.132 115.132 116.176 -1.044 18431 2002 1 5 . 1 1 47 47 CYS HA H 47 3.738 3.738 3.867 -0.129 18431 2003 1 5 . 1 1 47 47 CYS CA C 47 64.313 64.313 63.395 0.918 18431 2004 1 5 . 1 1 47 47 CYS CB C 47 27.744 27.744 27.748 -0.004 18431 2005 1 5 . 1 1 47 47 CYS H H 47 8.109 8.109 7.880 0.229 18431 2006 1 5 . 1 1 48 48 THR N N 48 114.153 114.153 115.876 -1.723 18431 2007 1 5 . 1 1 48 48 THR HA H 48 3.877 3.877 4.177 -0.300 18431 2008 1 5 . 1 1 48 48 THR CA C 48 66.755 66.755 66.069 0.686 18431 2009 1 5 . 1 1 48 48 THR CB C 48 67.593 67.593 68.085 -0.492 18431 2010 1 5 . 1 1 48 48 THR H H 48 8.776 8.776 7.813 0.963 18431 2011 1 5 . 1 1 49 49 ASP N N 49 126.528 126.528 121.749 4.779 18431 2012 1 5 . 1 1 49 49 ASP HA H 49 4.425 4.425 4.885 -0.460 18431 2013 1 5 . 1 1 49 49 ASP CA C 49 57.688 57.688 57.199 0.489 18431 2014 1 5 . 1 1 49 49 ASP CB C 49 39.249 39.249 41.002 -1.752 18431 2015 1 5 . 1 1 49 49 ASP H H 49 8.697 8.697 8.153 0.544 18431 2016 1 5 . 1 1 50 50 LEU HA H 50 3.924 3.924 4.162 -0.238 18431 2017 1 5 . 1 1 50 50 LEU CA C 50 58.157 58.157 57.506 0.651 18431 2018 1 5 . 1 1 50 50 LEU CB C 50 41.408 41.408 41.998 -0.590 18431 2019 1 5 . 1 1 51 51 ILE N N 51 118.832 118.832 117.462 1.370 18431 2020 1 5 . 1 1 51 51 ILE HA H 51 3.417 3.417 3.733 -0.316 18431 2021 1 5 . 1 1 51 51 ILE CA C 51 66.261 66.261 64.928 1.333 18431 2022 1 5 . 1 1 51 51 ILE CB C 51 37.691 37.691 37.490 0.201 18431 2023 1 5 . 1 1 51 51 ILE H H 51 7.639 7.639 7.502 0.137 18431 2024 1 5 . 1 1 52 52 GLU N N 52 123.247 123.247 119.405 3.842 18431 2025 1 5 . 1 1 52 52 GLU HA H 52 4.001 4.001 4.115 -0.114 18431 2026 1 5 . 1 1 52 52 GLU CA C 52 59.592 59.592 58.717 0.875 18431 2027 1 5 . 1 1 52 52 GLU CB C 52 29.068 29.068 29.570 -0.501 18431 2028 1 5 . 1 1 52 52 GLU H H 52 8.506 8.506 8.224 0.282 18431 2029 1 5 . 1 1 53 53 GLU N N 53 116.384 116.384 116.407 -0.023 18431 2030 1 5 . 1 1 53 53 GLU HA H 53 4.294 4.294 4.444 -0.150 18431 2031 1 5 . 1 1 53 53 GLU CA C 53 55.907 55.907 55.919 -0.012 18431 2032 1 5 . 1 1 53 53 GLU CB C 53 29.710 29.710 29.513 0.197 18431 2033 1 5 . 1 1 53 53 GLU H H 53 7.716 7.716 7.619 0.097 18431 2034 1 5 . 1 1 54 54 LYS N N 54 116.934 116.934 114.586 2.348 18431 2035 1 5 . 1 1 54 54 LYS HA H 54 3.662 3.662 3.970 -0.308 18431 2036 1 5 . 1 1 54 54 LYS CA C 54 57.278 57.278 58.086 -0.808 18431 2037 1 5 . 1 1 54 54 LYS CB C 54 29.785 29.785 30.218 -0.433 18431 2038 1 5 . 1 1 54 54 LYS H H 54 8.089 8.089 7.513 0.576 18431 2039 1 5 . 1 1 55 55 ASP N N 55 122.549 122.549 118.935 3.614 18431 2040 1 5 . 1 1 55 55 ASP HA H 55 5.058 5.058 4.796 0.262 18431 2041 1 5 . 1 1 55 55 ASP CA C 55 51.306 51.306 53.951 -2.645 18431 2042 1 5 . 1 1 55 55 ASP CB C 55 38.856 38.856 40.040 -1.184 18431 2043 1 5 . 1 1 55 55 ASP H H 55 8.497 8.497 8.472 0.025 18431 2044 1 5 . 1 1 56 56 LEU N N 56 119.627 119.627 116.715 2.912 18431 2045 1 5 . 1 1 56 56 LEU HA H 56 3.901 3.901 4.364 -0.463 18431 2046 1 5 . 1 1 56 56 LEU CA C 56 56.528 56.528 55.332 1.196 18431 2047 1 5 . 1 1 56 56 LEU CB C 56 40.034 40.034 40.343 -0.309 18431 2048 1 5 . 1 1 56 56 LEU H H 56 7.578 7.578 7.882 -0.304 18431 2049 1 5 . 1 1 57 57 GLU N N 57 121.433 121.433 121.301 0.132 18431 2050 1 5 . 1 1 57 57 GLU HA H 57 4.041 4.041 3.875 0.166 18431 2051 1 5 . 1 1 57 57 GLU CA C 57 59.321 59.321 59.816 -0.495 18431 2052 1 5 . 1 1 57 57 GLU CB C 57 29.229 29.229 28.846 0.383 18431 2053 1 5 . 1 1 57 57 GLU H H 57 8.614 8.614 8.465 0.149 18431 2054 1 5 . 1 1 58 58 LYS N N 58 119.832 119.832 118.042 1.790 18431 2055 1 5 . 1 1 58 58 LYS HA H 58 3.760 3.760 3.879 -0.119 18431 2056 1 5 . 1 1 58 58 LYS CA C 58 59.273 59.273 58.129 1.144 18431 2057 1 5 . 1 1 58 58 LYS CB C 58 32.370 32.370 32.072 0.298 18431 2058 1 5 . 1 1 58 58 LYS H H 58 7.527 7.527 7.684 -0.157 18431 2059 1 5 . 1 1 59 59 LEU N N 59 117.844 117.844 121.701 -3.857 18431 2060 1 5 . 1 1 59 59 LEU HA H 59 3.912 3.912 3.974 -0.062 18431 2061 1 5 . 1 1 59 59 LEU CA C 59 57.865 57.865 57.849 0.016 18431 2062 1 5 . 1 1 59 59 LEU CB C 59 41.382 41.382 41.495 -0.112 18431 2063 1 5 . 1 1 59 59 LEU H H 59 7.570 7.570 7.624 -0.054 18431 2064 1 5 . 1 1 60 60 ASP N N 60 117.630 117.630 118.076 -0.446 18431 2065 1 5 . 1 1 60 60 ASP HA H 60 4.273 4.273 4.279 -0.006 18431 2066 1 5 . 1 1 60 60 ASP CA C 60 57.695 57.695 57.370 0.326 18431 2067 1 5 . 1 1 60 60 ASP CB C 60 42.074 42.074 40.966 1.108 18431 2068 1 5 . 1 1 60 60 ASP H H 60 7.849 7.849 8.107 -0.258 18431 2069 1 5 . 1 1 61 61 LEU N N 61 116.500 116.500 118.346 -1.846 18431 2070 1 5 . 1 1 61 61 LEU HA H 61 3.924 3.924 4.129 -0.205 18431 2071 1 5 . 1 1 61 61 LEU CA C 61 57.886 57.886 56.877 1.009 18431 2072 1 5 . 1 1 61 61 LEU CB C 61 41.825 41.825 41.553 0.272 18431 2073 1 5 . 1 1 61 61 LEU H H 61 7.484 7.484 7.316 0.168 18431 2074 1 5 . 1 1 62 62 VAL N N 62 120.681 120.681 119.062 1.619 18431 2075 1 5 . 1 1 62 62 VAL HA H 62 3.963 3.963 4.066 -0.103 18431 2076 1 5 . 1 1 62 62 VAL CA C 62 66.843 66.843 66.204 0.639 18431 2077 1 5 . 1 1 62 62 VAL CB C 62 31.954 31.954 31.127 0.827 18431 2078 1 5 . 1 1 62 62 VAL H H 62 8.682 8.682 7.292 1.390 18431 2079 1 5 . 1 1 63 63 ILE N N 63 122.448 122.448 118.658 3.790 18431 2080 1 5 . 1 1 63 63 ILE HA H 63 3.995 3.995 3.821 0.174 18431 2081 1 5 . 1 1 63 63 ILE CA C 63 63.777 63.777 64.109 -0.331 18431 2082 1 5 . 1 1 63 63 ILE CB C 63 35.707 35.707 36.408 -0.701 18431 2083 1 5 . 1 1 63 63 ILE H H 63 8.824 8.824 7.945 0.879 18431 2084 1 5 . 1 1 64 64 LYS N N 64 118.898 118.898 119.048 -0.150 18431 2085 1 5 . 1 1 64 64 LYS HA H 64 3.889 3.889 4.111 -0.222 18431 2086 1 5 . 1 1 64 64 LYS CA C 64 60.416 60.416 59.382 1.034 18431 2087 1 5 . 1 1 64 64 LYS CB C 64 32.563 32.563 32.255 0.308 18431 2088 1 5 . 1 1 64 64 LYS H H 64 8.368 8.368 7.704 0.664 18431 2089 1 5 . 1 1 65 65 TYR N N 65 121.217 121.217 121.510 -0.293 18431 2090 1 5 . 1 1 65 65 TYR HA H 65 4.330 4.330 4.355 -0.025 18431 2091 1 5 . 1 1 65 65 TYR CA C 65 61.779 61.779 60.848 0.931 18431 2092 1 5 . 1 1 65 65 TYR CB C 65 38.898 38.898 38.755 0.143 18431 2093 1 5 . 1 1 65 65 TYR H H 65 8.200 8.200 7.486 0.714 18431 2094 1 5 . 1 1 66 66 MET N N 66 116.741 116.741 118.240 -1.499 18431 2095 1 5 . 1 1 66 66 MET HA H 66 3.682 3.682 4.072 -0.390 18431 2096 1 5 . 1 1 66 66 MET CA C 66 60.444 60.444 58.911 1.533 18431 2097 1 5 . 1 1 66 66 MET CB C 66 33.627 33.627 33.032 0.595 18431 2098 1 5 . 1 1 66 66 MET H H 66 8.681 8.681 8.796 -0.115 18431 2099 1 5 . 1 1 67 67 LYS N N 67 119.826 119.826 117.768 2.058 18431 2100 1 5 . 1 1 67 67 LYS HA H 67 2.637 2.637 3.244 -0.607 18431 2101 1 5 . 1 1 67 67 LYS CA C 67 59.949 59.949 58.549 1.400 18431 2102 1 5 . 1 1 67 67 LYS CB C 67 32.596 32.596 31.579 1.017 18431 2103 1 5 . 1 1 67 67 LYS H H 67 8.563 8.563 7.766 0.797 18431 2104 1 5 . 1 1 68 68 ARG N N 68 116.343 116.343 118.994 -2.651 18431 2105 1 5 . 1 1 68 68 ARG HA H 68 3.859 3.859 4.091 -0.232 18431 2106 1 5 . 1 1 68 68 ARG CA C 68 58.254 58.254 58.254 0.000 18431 2107 1 5 . 1 1 68 68 ARG CB C 68 29.605 29.605 29.797 -0.192 18431 2108 1 5 . 1 1 68 68 ARG H H 68 7.117 7.117 7.564 -0.447 18431 2109 1 5 . 1 1 69 69 LEU N N 69 116.573 116.573 121.184 -4.611 18431 2110 1 5 . 1 1 69 69 LEU HA H 69 3.847 3.847 4.104 -0.257 18431 2111 1 5 . 1 1 69 69 LEU CA C 69 56.861 56.861 56.918 -0.057 18431 2112 1 5 . 1 1 69 69 LEU CB C 69 42.950 42.950 42.045 0.905 18431 2113 1 5 . 1 1 69 69 LEU H H 69 7.360 7.360 7.647 -0.287 18431 2114 1 5 . 1 1 70 70 MET N N 70 115.874 115.874 116.958 -1.084 18431 2115 1 5 . 1 1 70 70 MET HA H 70 3.823 3.823 3.814 0.009 18431 2116 1 5 . 1 1 70 70 MET CA C 70 59.195 59.195 58.548 0.647 18431 2117 1 5 . 1 1 70 70 MET CB C 70 32.315 32.315 32.217 0.098 18431 2118 1 5 . 1 1 70 70 MET H H 70 8.769 8.769 7.554 1.215 18431 2119 1 5 . 1 1 71 71 GLN N N 71 114.286 114.286 117.657 -3.371 18431 2120 1 5 . 1 1 71 71 GLN HA H 71 4.416 4.416 3.948 0.468 18431 2121 1 5 . 1 1 71 71 GLN CA C 71 56.527 56.527 58.403 -1.876 18431 2122 1 5 . 1 1 71 71 GLN CB C 71 27.446 27.446 28.554 -1.108 18431 2123 1 5 . 1 1 71 71 GLN H H 71 7.522 7.522 7.646 -0.124 18431 2124 1 5 . 1 1 72 72 GLN N N 72 117.645 117.645 115.860 1.785 18431 2125 1 5 . 1 1 72 72 GLN HA H 72 4.198 4.198 4.026 0.172 18431 2126 1 5 . 1 1 72 72 GLN CA C 72 56.549 56.549 56.862 -0.313 18431 2127 1 5 . 1 1 72 72 GLN CB C 72 28.824 28.824 28.505 0.319 18431 2128 1 5 . 1 1 72 72 GLN H H 72 7.279 7.279 7.490 -0.211 18431 2129 1 5 . 1 1 73 73 SER N N 73 113.600 113.600 115.704 -2.104 18431 2130 1 5 . 1 1 73 73 SER HA H 73 4.504 4.504 4.417 0.087 18431 2131 1 5 . 1 1 73 73 SER CA C 73 57.600 57.600 58.127 -0.527 18431 2132 1 5 . 1 1 73 73 SER CB C 73 63.542 63.542 64.844 -1.302 18431 2133 1 5 . 1 1 73 73 SER H H 73 7.588 7.588 7.577 0.011 18431 2134 1 5 . 1 1 74 74 VAL N N 74 121.652 121.652 121.807 -0.155 18431 2135 1 5 . 1 1 74 74 VAL HA H 74 4.136 4.136 4.178 -0.042 18431 2136 1 5 . 1 1 74 74 VAL CA C 74 62.985 62.985 62.053 0.932 18431 2137 1 5 . 1 1 74 74 VAL CB C 74 31.797 31.797 32.343 -0.546 18431 2138 1 5 . 1 1 74 74 VAL H H 74 8.300 8.300 8.417 -0.117 18431 2139 1 5 . 1 1 75 75 GLU N N 75 120.481 120.481 120.783 -0.302 18431 2140 1 5 . 1 1 75 75 GLU HA H 75 4.415 4.415 4.261 0.154 18431 2141 1 5 . 1 1 75 75 GLU CA C 75 56.061 56.061 57.142 -1.081 18431 2142 1 5 . 1 1 75 75 GLU CB C 75 29.153 29.153 30.006 -0.853 18431 2143 1 5 . 1 1 75 75 GLU H H 75 8.486 8.486 8.298 0.188 18431 2144 1 5 . 1 1 76 76 SER HA H 76 4.498 4.498 4.164 0.334 18431 2145 1 5 . 1 1 76 76 SER CA C 76 59.426 59.426 61.234 -1.808 18431 2146 1 5 . 1 1 76 76 SER CB C 76 64.071 64.071 62.972 1.099 18431 2147 1 5 . 1 1 76 76 SER H H 76 8.142 8.142 8.947 -0.805 18431 2148 1 5 . 1 1 77 77 VAL N N 77 122.712 122.712 121.529 1.183 18431 2149 1 5 . 1 1 77 77 VAL HA H 77 4.036 4.036 3.777 0.259 18431 2150 1 5 . 1 1 77 77 VAL CA C 77 64.600 64.600 64.570 0.030 18431 2151 1 5 . 1 1 77 77 VAL CB C 77 30.843 30.843 31.072 -0.229 18431 2152 1 5 . 1 1 77 77 VAL H H 77 8.750 8.750 7.896 0.854 18431 2153 1 5 . 1 1 78 78 TRP N N 78 121.247 121.247 120.218 1.029 18431 2154 1 5 . 1 1 78 78 TRP HA H 78 4.507 4.507 4.308 0.199 18431 2155 1 5 . 1 1 78 78 TRP CA C 78 59.753 59.753 60.653 -0.900 18431 2156 1 5 . 1 1 78 78 TRP CB C 78 29.332 29.332 29.374 -0.042 18431 2157 1 5 . 1 1 78 78 TRP H H 78 7.837 7.837 7.529 0.308 18431 2158 1 5 . 1 1 79 79 ASN N N 79 119.032 119.032 116.985 2.047 18431 2159 1 5 . 1 1 79 79 ASN HA H 79 4.382 4.382 4.497 -0.115 18431 2160 1 5 . 1 1 79 79 ASN CA C 79 57.406 57.406 56.787 0.619 18431 2161 1 5 . 1 1 79 79 ASN CB C 79 38.813 38.813 38.404 0.409 18431 2162 1 5 . 1 1 79 79 ASN H H 79 7.856 7.856 8.182 -0.326 18431 2163 1 5 . 1 1 80 80 MET N N 80 117.280 117.280 118.159 -0.879 18431 2164 1 5 . 1 1 80 80 MET HA H 80 4.383 4.383 4.424 -0.041 18431 2165 1 5 . 1 1 80 80 MET CA C 80 58.111 58.111 57.362 0.749 18431 2166 1 5 . 1 1 80 80 MET CB C 80 32.350 32.350 31.881 0.469 18431 2167 1 5 . 1 1 80 80 MET H H 80 7.765 7.765 8.269 -0.504 18431 2168 1 5 . 1 1 81 81 ALA N N 81 123.582 123.582 123.445 0.137 18431 2169 1 5 . 1 1 81 81 ALA HA H 81 4.220 4.220 4.093 0.127 18431 2170 1 5 . 1 1 81 81 ALA CA C 81 54.997 54.997 55.279 -0.282 18431 2171 1 5 . 1 1 81 81 ALA CB C 81 17.615 17.615 17.876 -0.261 18431 2172 1 5 . 1 1 81 81 ALA H H 81 8.019 8.019 7.747 0.272 18431 2173 1 5 . 1 1 82 82 PHE N N 82 117.853 117.853 119.563 -1.710 18431 2174 1 5 . 1 1 82 82 PHE HA H 82 4.201 4.201 4.253 -0.052 18431 2175 1 5 . 1 1 82 82 PHE CA C 82 62.679 62.679 60.508 2.171 18431 2176 1 5 . 1 1 82 82 PHE CB C 82 38.078 38.078 38.762 -0.684 18431 2177 1 5 . 1 1 82 82 PHE H H 82 8.455 8.455 8.189 0.266 18431 2178 1 5 . 1 1 83 83 ASP N N 83 118.244 118.244 118.974 -0.730 18431 2179 1 5 . 1 1 83 83 ASP HA H 83 4.250 4.250 3.959 0.291 18431 2180 1 5 . 1 1 83 83 ASP CA C 83 57.602 57.602 57.409 0.193 18431 2181 1 5 . 1 1 83 83 ASP CB C 83 40.117 40.117 40.683 -0.566 18431 2182 1 5 . 1 1 83 83 ASP H H 83 7.615 7.615 7.987 -0.372 18431 2183 1 5 . 1 1 84 84 PHE N N 84 120.090 120.090 119.612 0.478 18431 2184 1 5 . 1 1 84 84 PHE HA H 84 4.319 4.319 4.251 0.068 18431 2185 1 5 . 1 1 84 84 PHE CA C 84 61.110 61.110 61.190 -0.080 18431 2186 1 5 . 1 1 84 84 PHE CB C 84 39.225 39.225 39.594 -0.369 18431 2187 1 5 . 1 1 84 84 PHE H H 84 7.849 7.849 7.526 0.323 18431 2188 1 5 . 1 1 85 85 ILE N N 85 122.915 122.915 119.928 2.987 18431 2189 1 5 . 1 1 85 85 ILE HA H 85 3.372 3.372 3.610 -0.238 18431 2190 1 5 . 1 1 85 85 ILE CA C 85 65.864 65.864 65.889 -0.025 18431 2191 1 5 . 1 1 85 85 ILE CB C 85 38.422 38.422 38.039 0.383 18431 2192 1 5 . 1 1 85 85 ILE H H 85 8.687 8.687 8.740 -0.053 18431 2193 1 5 . 1 1 86 86 LEU N N 86 119.481 119.481 117.090 2.391 18431 2194 1 5 . 1 1 86 86 LEU HA H 86 3.715 3.715 3.974 -0.259 18431 2195 1 5 . 1 1 86 86 LEU CA C 86 57.875 57.875 58.533 -0.659 18431 2196 1 5 . 1 1 86 86 LEU CB C 86 40.602 40.602 40.512 0.090 18431 2197 1 5 . 1 1 86 86 LEU H H 86 8.682 8.682 8.212 0.470 18431 2198 1 5 . 1 1 87 87 ASP N N 87 118.290 118.290 118.962 -0.672 18431 2199 1 5 . 1 1 87 87 ASP HA H 87 4.255 4.255 4.143 0.112 18431 2200 1 5 . 1 1 87 87 ASP CA C 87 57.604 57.604 56.993 0.611 18431 2201 1 5 . 1 1 87 87 ASP CB C 87 40.580 40.580 40.398 0.182 18431 2202 1 5 . 1 1 87 87 ASP H H 87 8.301 8.301 7.644 0.657 18431 2203 1 5 . 1 1 88 88 ASN N N 88 115.606 115.606 117.838 -2.232 18431 2204 1 5 . 1 1 88 88 ASN HA H 88 4.139 4.139 4.390 -0.251 18431 2205 1 5 . 1 1 88 88 ASN CA C 88 57.067 57.067 56.162 0.905 18431 2206 1 5 . 1 1 88 88 ASN CB C 88 39.734 39.734 39.026 0.709 18431 2207 1 5 . 1 1 88 88 ASN H H 88 7.421 7.421 7.483 -0.062 18431 2208 1 5 . 1 1 89 89 VAL N N 89 120.092 120.092 117.975 2.117 18431 2209 1 5 . 1 1 89 89 VAL HA H 89 3.421 3.421 3.751 -0.330 18431 2210 1 5 . 1 1 89 89 VAL CA C 89 66.777 66.777 65.749 1.028 18431 2211 1 5 . 1 1 89 89 VAL CB C 89 31.592 31.592 31.554 0.038 18431 2212 1 5 . 1 1 89 89 VAL H H 89 8.367 8.367 7.567 0.800 18431 2213 1 5 . 1 1 90 90 GLN N N 90 118.315 118.315 118.258 0.057 18431 2214 1 5 . 1 1 90 90 GLN HA H 90 4.427 4.427 4.173 0.254 18431 2215 1 5 . 1 1 90 90 GLN CA C 90 58.918 58.918 57.905 1.013 18431 2216 1 5 . 1 1 90 90 GLN CB C 90 28.471 28.471 28.178 0.293 18431 2217 1 5 . 1 1 90 90 GLN H H 90 8.780 8.780 8.528 0.252 18431 2218 1 5 . 1 1 91 91 VAL N N 91 118.757 118.757 120.767 -2.010 18431 2219 1 5 . 1 1 91 91 VAL HA H 91 3.720 3.720 3.724 -0.004 18431 2220 1 5 . 1 1 91 91 VAL CA C 91 66.303 66.303 65.678 0.625 18431 2221 1 5 . 1 1 91 91 VAL CB C 91 31.641 31.641 31.878 -0.237 18431 2222 1 5 . 1 1 91 91 VAL H H 91 7.640 7.640 7.199 0.441 18431 2223 1 5 . 1 1 92 92 VAL N N 92 120.289 120.289 120.012 0.277 18431 2224 1 5 . 1 1 92 92 VAL HA H 92 3.728 3.728 3.633 0.095 18431 2225 1 5 . 1 1 92 92 VAL CA C 92 66.270 66.270 66.340 -0.070 18431 2226 1 5 . 1 1 92 92 VAL CB C 92 31.354 31.354 32.048 -0.694 18431 2227 1 5 . 1 1 92 92 VAL H H 92 7.382 7.382 8.175 -0.793 18431 2228 1 5 . 1 1 93 93 LEU N N 93 123.817 123.817 116.869 6.948 18431 2229 1 5 . 1 1 93 93 LEU HA H 93 4.038 4.038 4.268 -0.230 18431 2230 1 5 . 1 1 93 93 LEU CA C 93 58.777 58.777 57.789 0.988 18431 2231 1 5 . 1 1 93 93 LEU CB C 93 41.790 41.790 41.476 0.314 18431 2232 1 5 . 1 1 93 93 LEU H H 93 8.813 8.813 7.458 1.355 18431 2233 1 5 . 1 1 94 94 GLN N N 94 119.660 119.660 119.523 0.137 18431 2234 1 5 . 1 1 94 94 GLN HA H 94 3.990 3.990 4.274 -0.284 18431 2235 1 5 . 1 1 94 94 GLN CA C 94 58.977 58.977 58.571 0.406 18431 2236 1 5 . 1 1 94 94 GLN CB C 94 28.270 28.270 28.441 -0.171 18431 2237 1 5 . 1 1 94 94 GLN H H 94 8.469 8.469 7.769 0.700 18431 2238 1 5 . 1 1 95 95 GLN N N 95 117.593 117.593 117.117 0.476 18431 2239 1 5 . 1 1 95 95 GLN HA H 95 4.068 4.068 4.161 -0.093 18431 2240 1 5 . 1 1 95 95 GLN CA C 95 57.991 57.991 58.171 -0.180 18431 2241 1 5 . 1 1 95 95 GLN CB C 95 28.548 28.548 28.751 -0.203 18431 2242 1 5 . 1 1 95 95 GLN H H 95 8.088 8.088 7.692 0.396 18431 2243 1 5 . 1 1 96 96 THR N N 96 113.065 113.065 112.322 0.743 18431 2244 1 5 . 1 1 96 96 THR HA H 96 4.003 4.003 4.140 -0.137 18431 2245 1 5 . 1 1 96 96 THR CA C 96 64.857 64.857 64.047 0.810 18431 2246 1 5 . 1 1 96 96 THR CB C 96 69.618 69.618 69.240 0.378 18431 2247 1 5 . 1 1 96 96 THR H H 96 7.970 7.970 7.674 0.296 18431 2248 1 5 . 1 1 97 97 TYR N N 97 118.178 118.178 118.442 -0.264 18431 2249 1 5 . 1 1 97 97 TYR HA H 97 4.717 4.717 4.565 0.152 18431 2250 1 5 . 1 1 97 97 TYR CA C 97 58.312 58.312 59.697 -1.385 18431 2251 1 5 . 1 1 97 97 TYR CB C 97 40.223 40.223 39.760 0.463 18431 2252 1 5 . 1 1 97 97 TYR H H 97 8.438 8.438 8.439 -0.001 18431 2253 1 5 . 1 1 98 98 GLY N N 98 109.735 109.735 104.305 5.430 18431 2254 1 5 . 1 1 98 98 GLY CA C 98 45.908 45.908 45.183 0.725 18431 2255 1 5 . 1 1 98 98 GLY H H 98 8.014 8.014 8.133 -0.119 18431 2256 1 5 . 1 1 99 99 SER N N 99 114.137 114.137 115.180 -1.043 18431 2257 1 5 . 1 1 99 99 SER HA H 99 4.642 4.642 4.831 -0.189 18431 2258 1 5 . 1 1 99 99 SER CA C 99 57.226 57.226 56.851 0.375 18431 2259 1 5 . 1 1 99 99 SER CB C 99 64.294 64.294 65.128 -0.834 18431 2260 1 5 . 1 1 99 99 SER H H 99 7.666 7.666 7.915 -0.249 18431 2261 1 5 . 1 1 100 100 THR N N 100 110.514 110.514 110.228 0.286 18431 2262 1 5 . 1 1 100 100 THR HA H 100 4.424 4.424 4.569 -0.145 18431 2263 1 5 . 1 1 100 100 THR CA C 100 60.964 60.964 60.582 0.382 18431 2264 1 5 . 1 1 100 100 THR CB C 100 70.303 70.303 70.933 -0.631 18431 2265 1 5 . 1 1 100 100 THR H H 100 7.899 7.899 7.942 -0.043 18431 2266 1 5 . 1 1 101 101 LEU N N 101 124.047 124.047 121.508 2.539 18431 2267 1 5 . 1 1 101 101 LEU HA H 101 4.313 4.313 4.544 -0.231 18431 2268 1 5 . 1 1 101 101 LEU CA C 101 54.930 54.930 54.432 0.498 18431 2269 1 5 . 1 1 101 101 LEU CB C 101 42.501 42.501 43.161 -0.660 18431 2270 1 5 . 1 1 101 101 LEU H H 101 8.847 8.847 8.298 0.549 18431 2271 1 5 . 1 1 102 102 LYS N N 102 124.883 124.883 121.500 3.383 18431 2272 1 5 . 1 1 102 102 LYS HA H 102 4.415 4.415 4.378 0.037 18431 2273 1 5 . 1 1 102 102 LYS CA C 102 55.588 55.588 56.021 -0.433 18431 2274 1 5 . 1 1 102 102 LYS CB C 102 32.596 32.596 32.829 -0.233 18431 2275 1 5 . 1 1 102 102 LYS H H 102 8.578 8.578 8.368 0.210 18431 2276 1 5 . 1 1 103 103 VAL N N 103 122.753 122.753 127.960 -5.207 18431 2277 1 5 . 1 1 103 103 VAL HA H 103 4.237 4.237 4.428 -0.191 18431 2278 1 5 . 1 1 103 103 VAL CA C 103 61.956 61.956 61.760 0.196 18431 2279 1 5 . 1 1 103 103 VAL CB C 103 32.747 32.747 31.558 1.188 18431 2280 1 5 . 1 1 103 103 VAL H H 103 8.348 8.348 8.546 -0.198 18431 2281 1 6 . 1 1 9 9 ALA N N 9 123.345 123.345 125.710 -2.365 18431 2282 1 6 . 1 1 9 9 ALA HA H 9 4.549 4.549 4.675 -0.126 18431 2283 1 6 . 1 1 9 9 ALA CA C 9 50.151 50.151 50.762 -0.611 18431 2284 1 6 . 1 1 9 9 ALA CB C 9 18.185 18.185 18.989 -0.804 18431 2285 1 6 . 1 1 9 9 ALA H H 9 7.992 7.992 8.106 -0.114 18431 2286 1 6 . 1 1 10 10 PRO HA H 10 4.299 4.299 4.369 -0.070 18431 2287 1 6 . 1 1 10 10 PRO CA C 10 62.937 62.937 62.909 0.028 18431 2288 1 6 . 1 1 10 10 PRO CB C 10 31.902 31.902 32.037 -0.135 18431 2289 1 6 . 1 1 11 11 ASN N N 11 117.877 117.877 118.825 -0.948 18431 2290 1 6 . 1 1 11 11 ASN HA H 11 4.646 4.646 4.514 0.132 18431 2291 1 6 . 1 1 11 11 ASN CA C 11 53.077 53.077 53.742 -0.665 18431 2292 1 6 . 1 1 11 11 ASN CB C 11 38.590 38.590 38.024 0.566 18431 2293 1 6 . 1 1 11 11 ASN H H 11 8.467 8.467 8.192 0.275 18431 2294 1 6 . 1 1 12 12 LEU N N 12 122.874 122.874 124.614 -1.740 18431 2295 1 6 . 1 1 12 12 LEU HA H 12 4.290 4.290 4.395 -0.105 18431 2296 1 6 . 1 1 12 12 LEU CA C 12 55.170 55.170 56.276 -1.106 18431 2297 1 6 . 1 1 12 12 LEU CB C 12 42.131 42.131 42.507 -0.376 18431 2298 1 6 . 1 1 12 12 LEU H H 12 8.196 8.196 8.141 0.055 18431 2299 1 6 . 1 1 13 13 ALA N N 13 123.854 123.854 121.608 2.246 18431 2300 1 6 . 1 1 13 13 ALA HA H 13 4.243 4.243 4.525 -0.282 18431 2301 1 6 . 1 1 13 13 ALA CA C 13 52.672 52.672 51.563 1.109 18431 2302 1 6 . 1 1 13 13 ALA CB C 13 18.923 18.923 19.774 -0.852 18431 2303 1 6 . 1 1 13 13 ALA H H 13 8.214 8.214 7.867 0.347 18431 2304 1 6 . 1 1 14 14 GLY N N 14 107.993 107.993 105.599 2.394 18431 2305 1 6 . 1 1 14 14 GLY CA C 14 44.989 44.989 45.395 -0.407 18431 2306 1 6 . 1 1 14 14 GLY H H 14 8.246 8.246 8.307 -0.061 18431 2307 1 6 . 1 1 15 15 ALA N N 15 123.594 123.594 122.330 1.264 18431 2308 1 6 . 1 1 15 15 ALA HA H 15 4.330 4.330 4.163 0.167 18431 2309 1 6 . 1 1 15 15 ALA CA C 15 52.147 52.147 52.012 0.135 18431 2310 1 6 . 1 1 15 15 ALA CB C 15 18.941 18.941 17.243 1.698 18431 2311 1 6 . 1 1 15 15 ALA H H 15 8.017 8.017 7.887 0.130 18431 2312 1 6 . 1 1 16 16 VAL N N 16 119.010 119.010 115.344 3.666 18431 2313 1 6 . 1 1 16 16 VAL HA H 16 4.036 4.036 3.957 0.079 18431 2314 1 6 . 1 1 16 16 VAL CA C 16 62.127 62.127 64.557 -2.430 18431 2315 1 6 . 1 1 16 16 VAL CB C 16 32.727 32.727 31.718 1.009 18431 2316 1 6 . 1 1 16 16 VAL H H 16 8.060 8.060 8.314 -0.254 18431 2317 1 6 . 1 1 17 17 GLU N N 17 124.211 124.211 120.532 3.679 18431 2318 1 6 . 1 1 17 17 GLU HA H 17 4.429 4.429 4.242 0.187 18431 2319 1 6 . 1 1 17 17 GLU CA C 17 57.429 57.429 55.606 1.823 18431 2320 1 6 . 1 1 17 17 GLU CB C 17 29.421 29.421 29.427 -0.006 18431 2321 1 6 . 1 1 17 17 GLU H H 17 8.436 8.436 8.043 0.393 18431 2322 1 6 . 1 1 18 18 PHE HA H 18 4.291 4.291 4.221 0.070 18431 2323 1 6 . 1 1 18 18 PHE CA C 18 60.955 60.955 60.397 0.558 18431 2324 1 6 . 1 1 18 18 PHE CB C 18 38.464 38.464 39.058 -0.594 18431 2325 1 6 . 1 1 19 19 SER N N 19 112.147 112.147 113.396 -1.249 18431 2326 1 6 . 1 1 19 19 SER HA H 19 3.659 3.659 3.803 -0.144 18431 2327 1 6 . 1 1 19 19 SER CA C 19 61.576 61.576 61.062 0.514 18431 2328 1 6 . 1 1 19 19 SER CB C 19 61.649 61.649 62.358 -0.709 18431 2329 1 6 . 1 1 19 19 SER H H 19 8.871 8.871 8.302 0.569 18431 2330 1 6 . 1 1 20 20 ASP N N 20 120.916 120.916 121.779 -0.863 18431 2331 1 6 . 1 1 20 20 ASP HA H 20 4.492 4.492 4.527 -0.035 18431 2332 1 6 . 1 1 20 20 ASP CA C 20 56.696 56.696 56.170 0.526 18431 2333 1 6 . 1 1 20 20 ASP CB C 20 40.543 40.543 41.179 -0.637 18431 2334 1 6 . 1 1 20 20 ASP H H 20 7.019 7.019 7.623 -0.604 18431 2335 1 6 . 1 1 21 21 VAL HA H 21 3.224 3.224 3.560 -0.336 18431 2336 1 6 . 1 1 21 21 VAL CA C 21 66.801 66.801 66.053 0.748 18431 2337 1 6 . 1 1 21 21 VAL CB C 21 31.741 31.741 31.375 0.366 18431 2338 1 6 . 1 1 22 22 LYS HA H 22 3.435 3.435 3.956 -0.521 18431 2339 1 6 . 1 1 22 22 LYS CA C 22 60.282 60.282 59.818 0.464 18431 2340 1 6 . 1 1 22 22 LYS CB C 22 31.283 31.283 31.123 0.160 18431 2341 1 6 . 1 1 23 23 THR N N 23 116.224 116.224 116.806 -0.582 18431 2342 1 6 . 1 1 23 23 THR HA H 23 3.796 3.796 4.171 -0.375 18431 2343 1 6 . 1 1 23 23 THR CA C 23 66.591 66.591 66.345 0.246 18431 2344 1 6 . 1 1 23 23 THR CB C 23 68.361 68.361 68.403 -0.042 18431 2345 1 6 . 1 1 23 23 THR H H 23 7.391 7.391 7.479 -0.088 18431 2346 1 6 . 1 1 24 24 LEU HA H 24 4.022 4.022 4.116 -0.094 18431 2347 1 6 . 1 1 24 24 LEU CA C 24 57.911 57.911 58.217 -0.306 18431 2348 1 6 . 1 1 24 24 LEU CB C 24 42.110 42.110 41.870 0.241 18431 2349 1 6 . 1 1 24 24 LEU H H 24 7.699 7.699 7.545 0.154 18431 2350 1 6 . 1 1 25 25 LEU N N 25 118.389 118.389 119.771 -1.382 18431 2351 1 6 . 1 1 25 25 LEU HA H 25 4.135 4.135 4.206 -0.071 18431 2352 1 6 . 1 1 25 25 LEU CA C 25 57.864 57.864 58.372 -0.508 18431 2353 1 6 . 1 1 25 25 LEU CB C 25 42.653 42.653 41.915 0.738 18431 2354 1 6 . 1 1 25 25 LEU H H 25 8.331 8.331 8.391 -0.060 18431 2355 1 6 . 1 1 26 26 LYS N N 26 118.433 118.433 119.098 -0.665 18431 2356 1 6 . 1 1 26 26 LYS HA H 26 3.833 3.833 3.864 -0.031 18431 2357 1 6 . 1 1 26 26 LYS CA C 26 60.095 60.095 59.330 0.765 18431 2358 1 6 . 1 1 26 26 LYS CB C 26 31.623 31.623 32.066 -0.443 18431 2359 1 6 . 1 1 26 26 LYS H H 26 8.464 8.464 8.325 0.139 18431 2360 1 6 . 1 1 27 27 GLU N N 27 120.838 120.838 119.076 1.762 18431 2361 1 6 . 1 1 27 27 GLU HA H 27 3.945 3.945 4.256 -0.311 18431 2362 1 6 . 1 1 27 27 GLU CA C 27 59.509 59.509 59.093 0.416 18431 2363 1 6 . 1 1 27 27 GLU CB C 27 29.199 29.199 29.601 -0.402 18431 2364 1 6 . 1 1 27 27 GLU H H 27 8.246 8.246 8.331 -0.085 18431 2365 1 6 . 1 1 28 28 TRP N N 28 122.200 122.200 121.819 0.381 18431 2366 1 6 . 1 1 28 28 TRP HA H 28 4.597 4.597 4.619 -0.022 18431 2367 1 6 . 1 1 28 28 TRP CA C 28 59.443 59.443 60.709 -1.266 18431 2368 1 6 . 1 1 28 28 TRP CB C 28 29.083 29.083 29.436 -0.353 18431 2369 1 6 . 1 1 28 28 TRP H H 28 8.143 8.143 8.117 0.026 18431 2370 1 6 . 1 1 29 29 ILE N N 29 114.954 114.954 116.484 -1.530 18431 2371 1 6 . 1 1 29 29 ILE HA H 29 2.742 2.742 3.368 -0.626 18431 2372 1 6 . 1 1 29 29 ILE CA C 29 62.759 62.759 62.431 0.328 18431 2373 1 6 . 1 1 29 29 ILE CB C 29 37.992 37.992 38.173 -0.181 18431 2374 1 6 . 1 1 29 29 ILE H H 29 7.999 7.999 7.359 0.640 18431 2375 1 6 . 1 1 30 30 THR N N 30 106.869 106.869 111.294 -4.425 18431 2376 1 6 . 1 1 30 30 THR HA H 30 4.117 4.117 4.080 0.037 18431 2377 1 6 . 1 1 30 30 THR CA C 30 63.447 63.447 64.472 -1.025 18431 2378 1 6 . 1 1 30 30 THR CB C 30 70.045 70.045 69.390 0.655 18431 2379 1 6 . 1 1 30 30 THR H H 30 7.622 7.622 7.432 0.190 18431 2380 1 6 . 1 1 31 31 THR N N 31 111.890 111.890 115.194 -3.304 18431 2381 1 6 . 1 1 31 31 THR HA H 31 4.503 4.503 4.152 0.351 18431 2382 1 6 . 1 1 31 31 THR CA C 31 63.231 63.231 65.031 -1.800 18431 2383 1 6 . 1 1 31 31 THR CB C 31 70.556 70.556 69.076 1.480 18431 2384 1 6 . 1 1 31 31 THR H H 31 7.588 7.588 8.087 -0.499 18431 2385 1 6 . 1 1 32 32 ILE N N 32 123.663 123.663 121.522 2.141 18431 2386 1 6 . 1 1 32 32 ILE HA H 32 4.499 4.499 4.313 0.186 18431 2387 1 6 . 1 1 32 32 ILE CA C 32 59.426 59.426 60.062 -0.636 18431 2388 1 6 . 1 1 32 32 ILE CB C 32 37.378 37.378 38.032 -0.654 18431 2389 1 6 . 1 1 32 32 ILE H H 32 7.929 7.929 7.592 0.337 18431 2390 1 6 . 1 1 33 33 SER N N 33 119.544 119.544 117.136 2.408 18431 2391 1 6 . 1 1 33 33 SER HA H 33 4.523 4.523 4.737 -0.214 18431 2392 1 6 . 1 1 33 33 SER CA C 33 59.189 59.189 59.552 -0.363 18431 2393 1 6 . 1 1 33 33 SER CB C 33 63.838 63.838 65.237 -1.399 18431 2394 1 6 . 1 1 33 33 SER H H 33 8.418 8.418 8.567 -0.149 18431 2395 1 6 . 1 1 34 34 ASP HA H 34 4.821 4.821 4.891 -0.070 18431 2396 1 6 . 1 1 34 34 ASP CA C 34 51.168 51.168 52.364 -1.196 18431 2397 1 6 . 1 1 34 34 ASP CB C 34 41.139 41.139 41.581 -0.442 18431 2398 1 6 . 1 1 34 34 ASP H H 34 7.730 7.730 8.215 -0.485 18431 2399 1 6 . 1 1 35 35 PRO HA H 35 4.167 4.167 4.433 -0.266 18431 2400 1 6 . 1 1 35 35 PRO CA C 35 62.085 62.085 62.877 -0.792 18431 2401 1 6 . 1 1 35 35 PRO CB C 35 31.767 31.767 32.959 -1.192 18431 2402 1 6 . 1 1 36 36 MET N N 36 121.309 121.309 118.338 2.971 18431 2403 1 6 . 1 1 36 36 MET HA H 36 4.565 4.565 4.638 -0.073 18431 2404 1 6 . 1 1 36 36 MET CA C 36 53.867 53.867 53.785 0.082 18431 2405 1 6 . 1 1 36 36 MET CB C 36 32.411 32.411 34.524 -2.113 18431 2406 1 6 . 1 1 36 36 MET H H 36 9.165 9.165 8.662 0.503 18431 2407 1 6 . 1 1 37 37 GLU N N 37 125.284 125.284 120.281 5.003 18431 2408 1 6 . 1 1 37 37 GLU HA H 37 3.744 3.744 3.929 -0.185 18431 2409 1 6 . 1 1 37 37 GLU CA C 37 60.307 60.307 59.490 0.817 18431 2410 1 6 . 1 1 37 37 GLU CB C 37 29.448 29.448 29.002 0.446 18431 2411 1 6 . 1 1 37 37 GLU H H 37 9.034 9.034 8.896 0.138 18431 2412 1 6 . 1 1 38 38 GLU N N 38 116.000 116.000 117.881 -1.881 18431 2413 1 6 . 1 1 38 38 GLU HA H 38 4.003 4.003 4.092 -0.089 18431 2414 1 6 . 1 1 38 38 GLU CA C 38 59.588 59.588 58.955 0.634 18431 2415 1 6 . 1 1 38 38 GLU CB C 38 29.280 29.280 28.880 0.401 18431 2416 1 6 . 1 1 38 38 GLU H H 38 9.356 9.356 8.879 0.477 18431 2417 1 6 . 1 1 39 39 ASP N N 39 118.974 118.974 121.089 -2.115 18431 2418 1 6 . 1 1 39 39 ASP HA H 39 4.493 4.493 4.414 0.079 18431 2419 1 6 . 1 1 39 39 ASP CA C 39 57.231 57.231 57.515 -0.284 18431 2420 1 6 . 1 1 39 39 ASP CB C 39 41.226 41.226 40.683 0.543 18431 2421 1 6 . 1 1 39 39 ASP H H 39 7.169 7.169 7.780 -0.611 18431 2422 1 6 . 1 1 40 40 ILE N N 40 120.269 120.269 119.691 0.578 18431 2423 1 6 . 1 1 40 40 ILE HA H 40 3.845 3.845 3.993 -0.148 18431 2424 1 6 . 1 1 40 40 ILE CA C 40 65.345 65.345 64.808 0.537 18431 2425 1 6 . 1 1 40 40 ILE CB C 40 37.500 37.500 38.090 -0.590 18431 2426 1 6 . 1 1 40 40 ILE H H 40 7.766 7.766 7.443 0.323 18431 2427 1 6 . 1 1 41 41 LEU N N 41 118.715 118.715 119.521 -0.806 18431 2428 1 6 . 1 1 41 41 LEU HA H 41 4.131 4.131 4.046 0.085 18431 2429 1 6 . 1 1 41 41 LEU CA C 41 57.835 57.835 57.426 0.409 18431 2430 1 6 . 1 1 41 41 LEU CB C 41 40.819 40.819 41.310 -0.491 18431 2431 1 6 . 1 1 41 41 LEU H H 41 8.726 8.726 7.734 0.992 18431 2432 1 6 . 1 1 42 42 GLN N N 42 119.539 119.539 119.120 0.419 18431 2433 1 6 . 1 1 42 42 GLN HA H 42 4.177 4.177 4.089 0.088 18431 2434 1 6 . 1 1 42 42 GLN CA C 42 59.241 59.241 58.740 0.501 18431 2435 1 6 . 1 1 42 42 GLN CB C 42 28.518 28.518 28.343 0.175 18431 2436 1 6 . 1 1 42 42 GLN H H 42 7.768 7.768 7.943 -0.175 18431 2437 1 6 . 1 1 43 43 VAL N N 43 121.194 121.194 116.588 4.606 18431 2438 1 6 . 1 1 43 43 VAL HA H 43 3.787 3.787 3.786 0.001 18431 2439 1 6 . 1 1 43 43 VAL CA C 43 66.760 66.760 65.562 1.198 18431 2440 1 6 . 1 1 43 43 VAL CB C 43 31.423 31.423 30.491 0.932 18431 2441 1 6 . 1 1 43 43 VAL H H 43 7.712 7.712 7.547 0.165 18431 2442 1 6 . 1 1 44 44 VAL N N 44 120.876 120.876 120.047 0.829 18431 2443 1 6 . 1 1 44 44 VAL HA H 44 3.422 3.422 3.770 -0.348 18431 2444 1 6 . 1 1 44 44 VAL CA C 44 67.910 67.910 66.053 1.857 18431 2445 1 6 . 1 1 44 44 VAL CB C 44 31.392 31.392 30.826 0.566 18431 2446 1 6 . 1 1 44 44 VAL H H 44 8.232 8.232 7.412 0.820 18431 2447 1 6 . 1 1 45 45 ARG N N 45 120.934 120.934 120.831 0.103 18431 2448 1 6 . 1 1 45 45 ARG HA H 45 4.148 4.148 4.031 0.117 18431 2449 1 6 . 1 1 45 45 ARG CA C 45 58.593 58.593 58.958 -0.365 18431 2450 1 6 . 1 1 45 45 ARG CB C 45 29.608 29.608 29.471 0.137 18431 2451 1 6 . 1 1 45 45 ARG H H 45 8.489 8.489 7.732 0.757 18431 2452 1 6 . 1 1 46 46 TYR N N 46 120.548 120.548 121.009 -0.461 18431 2453 1 6 . 1 1 46 46 TYR HA H 46 4.547 4.547 4.163 0.384 18431 2454 1 6 . 1 1 46 46 TYR CA C 46 60.926 60.926 61.491 -0.565 18431 2455 1 6 . 1 1 46 46 TYR CB C 46 38.447 38.447 37.916 0.530 18431 2456 1 6 . 1 1 46 46 TYR H H 46 7.870 7.870 7.797 0.073 18431 2457 1 6 . 1 1 47 47 CYS N N 47 115.132 115.132 117.436 -2.304 18431 2458 1 6 . 1 1 47 47 CYS HA H 47 3.738 3.738 3.698 0.040 18431 2459 1 6 . 1 1 47 47 CYS CA C 47 64.313 64.313 64.475 -0.162 18431 2460 1 6 . 1 1 47 47 CYS CB C 47 27.744 27.744 27.867 -0.123 18431 2461 1 6 . 1 1 47 47 CYS H H 47 8.109 8.109 7.762 0.347 18431 2462 1 6 . 1 1 48 48 THR N N 48 114.153 114.153 115.585 -1.432 18431 2463 1 6 . 1 1 48 48 THR HA H 48 3.877 3.877 3.975 -0.098 18431 2464 1 6 . 1 1 48 48 THR CA C 48 66.755 66.755 67.207 -0.452 18431 2465 1 6 . 1 1 48 48 THR CB C 48 67.593 67.593 68.102 -0.509 18431 2466 1 6 . 1 1 48 48 THR H H 48 8.776 8.776 8.305 0.471 18431 2467 1 6 . 1 1 49 49 ASP N N 49 126.528 126.528 121.164 5.364 18431 2468 1 6 . 1 1 49 49 ASP HA H 49 4.425 4.425 4.543 -0.118 18431 2469 1 6 . 1 1 49 49 ASP CA C 49 57.688 57.688 56.168 1.520 18431 2470 1 6 . 1 1 49 49 ASP CB C 49 39.249 39.249 40.885 -1.636 18431 2471 1 6 . 1 1 49 49 ASP H H 49 8.697 8.697 8.056 0.641 18431 2472 1 6 . 1 1 50 50 LEU HA H 50 3.924 3.924 3.893 0.031 18431 2473 1 6 . 1 1 50 50 LEU CA C 50 58.157 58.157 57.636 0.521 18431 2474 1 6 . 1 1 50 50 LEU CB C 50 41.408 41.408 42.013 -0.605 18431 2475 1 6 . 1 1 51 51 ILE N N 51 118.832 118.832 116.757 2.075 18431 2476 1 6 . 1 1 51 51 ILE HA H 51 3.417 3.417 3.737 -0.320 18431 2477 1 6 . 1 1 51 51 ILE CA C 51 66.261 66.261 65.012 1.249 18431 2478 1 6 . 1 1 51 51 ILE CB C 51 37.691 37.691 37.348 0.343 18431 2479 1 6 . 1 1 51 51 ILE H H 51 7.639 7.639 7.576 0.063 18431 2480 1 6 . 1 1 52 52 GLU N N 52 123.247 123.247 119.072 4.175 18431 2481 1 6 . 1 1 52 52 GLU HA H 52 4.001 4.001 4.183 -0.182 18431 2482 1 6 . 1 1 52 52 GLU CA C 52 59.592 59.592 58.648 0.944 18431 2483 1 6 . 1 1 52 52 GLU CB C 52 29.068 29.068 29.476 -0.408 18431 2484 1 6 . 1 1 52 52 GLU H H 52 8.506 8.506 8.125 0.381 18431 2485 1 6 . 1 1 53 53 GLU N N 53 116.384 116.384 116.139 0.245 18431 2486 1 6 . 1 1 53 53 GLU HA H 53 4.294 4.294 4.442 -0.148 18431 2487 1 6 . 1 1 53 53 GLU CA C 53 55.907 55.907 55.842 0.065 18431 2488 1 6 . 1 1 53 53 GLU CB C 53 29.710 29.710 29.637 0.073 18431 2489 1 6 . 1 1 53 53 GLU H H 53 7.716 7.716 7.734 -0.018 18431 2490 1 6 . 1 1 54 54 LYS N N 54 116.934 116.934 114.518 2.416 18431 2491 1 6 . 1 1 54 54 LYS HA H 54 3.662 3.662 3.948 -0.286 18431 2492 1 6 . 1 1 54 54 LYS CA C 54 57.278 57.278 57.934 -0.656 18431 2493 1 6 . 1 1 54 54 LYS CB C 54 29.785 29.785 30.111 -0.326 18431 2494 1 6 . 1 1 54 54 LYS H H 54 8.089 8.089 7.451 0.638 18431 2495 1 6 . 1 1 55 55 ASP N N 55 122.549 122.549 119.206 3.343 18431 2496 1 6 . 1 1 55 55 ASP HA H 55 5.058 5.058 4.770 0.288 18431 2497 1 6 . 1 1 55 55 ASP CA C 55 51.306 51.306 53.423 -2.117 18431 2498 1 6 . 1 1 55 55 ASP CB C 55 38.856 38.856 40.470 -1.614 18431 2499 1 6 . 1 1 55 55 ASP H H 55 8.497 8.497 8.167 0.330 18431 2500 1 6 . 1 1 56 56 LEU N N 56 119.627 119.627 117.075 2.552 18431 2501 1 6 . 1 1 56 56 LEU HA H 56 3.901 3.901 4.294 -0.393 18431 2502 1 6 . 1 1 56 56 LEU CA C 56 56.528 56.528 55.083 1.445 18431 2503 1 6 . 1 1 56 56 LEU CB C 56 40.034 40.034 40.322 -0.288 18431 2504 1 6 . 1 1 56 56 LEU H H 56 7.578 7.578 8.013 -0.435 18431 2505 1 6 . 1 1 57 57 GLU N N 57 121.433 121.433 121.317 0.116 18431 2506 1 6 . 1 1 57 57 GLU HA H 57 4.041 4.041 3.830 0.211 18431 2507 1 6 . 1 1 57 57 GLU CA C 57 59.321 59.321 59.731 -0.410 18431 2508 1 6 . 1 1 57 57 GLU CB C 57 29.229 29.229 28.950 0.279 18431 2509 1 6 . 1 1 57 57 GLU H H 57 8.614 8.614 8.470 0.144 18431 2510 1 6 . 1 1 58 58 LYS N N 58 119.832 119.832 118.243 1.589 18431 2511 1 6 . 1 1 58 58 LYS HA H 58 3.760 3.760 3.798 -0.038 18431 2512 1 6 . 1 1 58 58 LYS CA C 58 59.273 59.273 58.343 0.930 18431 2513 1 6 . 1 1 58 58 LYS CB C 58 32.370 32.370 32.129 0.241 18431 2514 1 6 . 1 1 58 58 LYS H H 58 7.527 7.527 7.633 -0.106 18431 2515 1 6 . 1 1 59 59 LEU N N 59 117.844 117.844 122.451 -4.607 18431 2516 1 6 . 1 1 59 59 LEU HA H 59 3.912 3.912 3.900 0.012 18431 2517 1 6 . 1 1 59 59 LEU CA C 59 57.865 57.865 57.956 -0.090 18431 2518 1 6 . 1 1 59 59 LEU CB C 59 41.382 41.382 41.860 -0.478 18431 2519 1 6 . 1 1 59 59 LEU H H 59 7.570 7.570 7.677 -0.107 18431 2520 1 6 . 1 1 60 60 ASP N N 60 117.630 117.630 117.917 -0.287 18431 2521 1 6 . 1 1 60 60 ASP HA H 60 4.273 4.273 4.284 -0.011 18431 2522 1 6 . 1 1 60 60 ASP CA C 60 57.695 57.695 58.040 -0.345 18431 2523 1 6 . 1 1 60 60 ASP CB C 60 42.074 42.074 40.752 1.322 18431 2524 1 6 . 1 1 60 60 ASP H H 60 7.849 7.849 8.031 -0.182 18431 2525 1 6 . 1 1 61 61 LEU N N 61 116.500 116.500 118.453 -1.953 18431 2526 1 6 . 1 1 61 61 LEU HA H 61 3.924 3.924 4.096 -0.172 18431 2527 1 6 . 1 1 61 61 LEU CA C 61 57.886 57.886 56.966 0.920 18431 2528 1 6 . 1 1 61 61 LEU CB C 61 41.825 41.825 41.701 0.124 18431 2529 1 6 . 1 1 61 61 LEU H H 61 7.484 7.484 6.992 0.492 18431 2530 1 6 . 1 1 62 62 VAL N N 62 120.681 120.681 120.042 0.639 18431 2531 1 6 . 1 1 62 62 VAL HA H 62 3.963 3.963 3.811 0.152 18431 2532 1 6 . 1 1 62 62 VAL CA C 62 66.843 66.843 66.604 0.239 18431 2533 1 6 . 1 1 62 62 VAL CB C 62 31.954 31.954 31.569 0.385 18431 2534 1 6 . 1 1 62 62 VAL H H 62 8.682 8.682 7.770 0.912 18431 2535 1 6 . 1 1 63 63 ILE N N 63 122.448 122.448 118.216 4.232 18431 2536 1 6 . 1 1 63 63 ILE HA H 63 3.995 3.995 3.862 0.133 18431 2537 1 6 . 1 1 63 63 ILE CA C 63 63.777 63.777 63.962 -0.185 18431 2538 1 6 . 1 1 63 63 ILE CB C 63 35.707 35.707 36.153 -0.446 18431 2539 1 6 . 1 1 63 63 ILE H H 63 8.824 8.824 8.083 0.741 18431 2540 1 6 . 1 1 64 64 LYS N N 64 118.898 118.898 118.884 0.014 18431 2541 1 6 . 1 1 64 64 LYS HA H 64 3.889 3.889 4.167 -0.278 18431 2542 1 6 . 1 1 64 64 LYS CA C 64 60.416 60.416 58.582 1.834 18431 2543 1 6 . 1 1 64 64 LYS CB C 64 32.563 32.563 31.942 0.621 18431 2544 1 6 . 1 1 64 64 LYS H H 64 8.368 8.368 7.842 0.526 18431 2545 1 6 . 1 1 65 65 TYR N N 65 121.217 121.217 122.048 -0.831 18431 2546 1 6 . 1 1 65 65 TYR HA H 65 4.330 4.330 4.387 -0.057 18431 2547 1 6 . 1 1 65 65 TYR CA C 65 61.779 61.779 60.906 0.874 18431 2548 1 6 . 1 1 65 65 TYR CB C 65 38.898 38.898 38.892 0.006 18431 2549 1 6 . 1 1 65 65 TYR H H 65 8.200 8.200 7.868 0.332 18431 2550 1 6 . 1 1 66 66 MET N N 66 116.741 116.741 118.772 -2.031 18431 2551 1 6 . 1 1 66 66 MET HA H 66 3.682 3.682 4.031 -0.349 18431 2552 1 6 . 1 1 66 66 MET CA C 66 60.444 60.444 59.072 1.372 18431 2553 1 6 . 1 1 66 66 MET CB C 66 33.627 33.627 33.188 0.439 18431 2554 1 6 . 1 1 66 66 MET H H 66 8.681 8.681 8.701 -0.020 18431 2555 1 6 . 1 1 67 67 LYS N N 67 119.826 119.826 118.090 1.736 18431 2556 1 6 . 1 1 67 67 LYS HA H 67 2.637 2.637 2.964 -0.327 18431 2557 1 6 . 1 1 67 67 LYS CA C 67 59.949 59.949 58.762 1.187 18431 2558 1 6 . 1 1 67 67 LYS CB C 67 32.596 32.596 31.884 0.712 18431 2559 1 6 . 1 1 67 67 LYS H H 67 8.563 8.563 8.008 0.554 18431 2560 1 6 . 1 1 68 68 ARG N N 68 116.343 116.343 118.569 -2.226 18431 2561 1 6 . 1 1 68 68 ARG HA H 68 3.859 3.859 4.500 -0.641 18431 2562 1 6 . 1 1 68 68 ARG CA C 68 58.254 58.254 58.008 0.246 18431 2563 1 6 . 1 1 68 68 ARG CB C 68 29.605 29.605 29.949 -0.344 18431 2564 1 6 . 1 1 68 68 ARG H H 68 7.117 7.117 7.454 -0.337 18431 2565 1 6 . 1 1 69 69 LEU N N 69 116.573 116.573 121.454 -4.881 18431 2566 1 6 . 1 1 69 69 LEU HA H 69 3.847 3.847 4.118 -0.271 18431 2567 1 6 . 1 1 69 69 LEU CA C 69 56.861 56.861 56.894 -0.033 18431 2568 1 6 . 1 1 69 69 LEU CB C 69 42.950 42.950 41.988 0.962 18431 2569 1 6 . 1 1 69 69 LEU H H 69 7.360 7.360 7.439 -0.079 18431 2570 1 6 . 1 1 70 70 MET N N 70 115.874 115.874 115.902 -0.028 18431 2571 1 6 . 1 1 70 70 MET HA H 70 3.823 3.823 3.924 -0.101 18431 2572 1 6 . 1 1 70 70 MET CA C 70 59.195 59.195 57.739 1.456 18431 2573 1 6 . 1 1 70 70 MET CB C 70 32.315 32.315 31.995 0.320 18431 2574 1 6 . 1 1 70 70 MET H H 70 8.769 8.769 7.637 1.132 18431 2575 1 6 . 1 1 71 71 GLN N N 71 114.286 114.286 117.219 -2.933 18431 2576 1 6 . 1 1 71 71 GLN HA H 71 4.416 4.416 3.999 0.417 18431 2577 1 6 . 1 1 71 71 GLN CA C 71 56.527 56.527 58.261 -1.734 18431 2578 1 6 . 1 1 71 71 GLN CB C 71 27.446 27.446 28.784 -1.338 18431 2579 1 6 . 1 1 71 71 GLN H H 71 7.522 7.522 7.533 -0.011 18431 2580 1 6 . 1 1 72 72 GLN N N 72 117.645 117.645 115.999 1.646 18431 2581 1 6 . 1 1 72 72 GLN HA H 72 4.198 4.198 4.062 0.136 18431 2582 1 6 . 1 1 72 72 GLN CA C 72 56.549 56.549 56.669 -0.120 18431 2583 1 6 . 1 1 72 72 GLN CB C 72 28.824 28.824 28.535 0.288 18431 2584 1 6 . 1 1 72 72 GLN H H 72 7.279 7.279 7.669 -0.390 18431 2585 1 6 . 1 1 73 73 SER N N 73 113.600 113.600 114.718 -1.118 18431 2586 1 6 . 1 1 73 73 SER HA H 73 4.504 4.504 4.394 0.110 18431 2587 1 6 . 1 1 73 73 SER CA C 73 57.600 57.600 57.411 0.188 18431 2588 1 6 . 1 1 73 73 SER CB C 73 63.542 63.542 64.341 -0.799 18431 2589 1 6 . 1 1 73 73 SER H H 73 7.588 7.588 7.242 0.346 18431 2590 1 6 . 1 1 74 74 VAL N N 74 121.652 121.652 121.229 0.423 18431 2591 1 6 . 1 1 74 74 VAL HA H 74 4.136 4.136 4.221 -0.085 18431 2592 1 6 . 1 1 74 74 VAL CA C 74 62.985 62.985 61.672 1.312 18431 2593 1 6 . 1 1 74 74 VAL CB C 74 31.797 31.797 32.463 -0.666 18431 2594 1 6 . 1 1 74 74 VAL H H 74 8.300 8.300 8.392 -0.092 18431 2595 1 6 . 1 1 75 75 GLU N N 75 120.481 120.481 121.151 -0.670 18431 2596 1 6 . 1 1 75 75 GLU HA H 75 4.415 4.415 4.274 0.141 18431 2597 1 6 . 1 1 75 75 GLU CA C 75 56.061 56.061 57.310 -1.249 18431 2598 1 6 . 1 1 75 75 GLU CB C 75 29.153 29.153 29.891 -0.738 18431 2599 1 6 . 1 1 75 75 GLU H H 75 8.486 8.486 8.010 0.476 18431 2600 1 6 . 1 1 76 76 SER HA H 76 4.498 4.498 4.188 0.310 18431 2601 1 6 . 1 1 76 76 SER CA C 76 59.426 59.426 61.831 -2.405 18431 2602 1 6 . 1 1 76 76 SER CB C 76 64.071 64.071 63.142 0.930 18431 2603 1 6 . 1 1 76 76 SER H H 76 8.142 8.142 8.890 -0.748 18431 2604 1 6 . 1 1 77 77 VAL N N 77 122.712 122.712 121.348 1.364 18431 2605 1 6 . 1 1 77 77 VAL HA H 77 4.036 4.036 3.803 0.233 18431 2606 1 6 . 1 1 77 77 VAL CA C 77 64.600 64.600 64.873 -0.273 18431 2607 1 6 . 1 1 77 77 VAL CB C 77 30.843 30.843 31.069 -0.226 18431 2608 1 6 . 1 1 77 77 VAL H H 77 8.750 8.750 8.029 0.721 18431 2609 1 6 . 1 1 78 78 TRP N N 78 121.247 121.247 120.207 1.040 18431 2610 1 6 . 1 1 78 78 TRP HA H 78 4.507 4.507 4.340 0.167 18431 2611 1 6 . 1 1 78 78 TRP CA C 78 59.753 59.753 60.761 -1.008 18431 2612 1 6 . 1 1 78 78 TRP CB C 78 29.332 29.332 29.425 -0.093 18431 2613 1 6 . 1 1 78 78 TRP H H 78 7.837 7.837 7.497 0.340 18431 2614 1 6 . 1 1 79 79 ASN N N 79 119.032 119.032 117.435 1.597 18431 2615 1 6 . 1 1 79 79 ASN HA H 79 4.382 4.382 4.542 -0.160 18431 2616 1 6 . 1 1 79 79 ASN CA C 79 57.406 57.406 56.891 0.515 18431 2617 1 6 . 1 1 79 79 ASN CB C 79 38.813 38.813 38.507 0.306 18431 2618 1 6 . 1 1 79 79 ASN H H 79 7.856 7.856 8.337 -0.481 18431 2619 1 6 . 1 1 80 80 MET N N 80 117.280 117.280 118.945 -1.665 18431 2620 1 6 . 1 1 80 80 MET HA H 80 4.383 4.383 4.321 0.062 18431 2621 1 6 . 1 1 80 80 MET CA C 80 58.111 58.111 58.895 -0.784 18431 2622 1 6 . 1 1 80 80 MET CB C 80 32.350 32.350 32.642 -0.292 18431 2623 1 6 . 1 1 80 80 MET H H 80 7.765 7.765 8.582 -0.817 18431 2624 1 6 . 1 1 81 81 ALA N N 81 123.582 123.582 123.037 0.545 18431 2625 1 6 . 1 1 81 81 ALA HA H 81 4.220 4.220 4.086 0.134 18431 2626 1 6 . 1 1 81 81 ALA CA C 81 54.997 54.997 55.276 -0.279 18431 2627 1 6 . 1 1 81 81 ALA CB C 81 17.615 17.615 17.980 -0.365 18431 2628 1 6 . 1 1 81 81 ALA H H 81 8.019 8.019 7.904 0.115 18431 2629 1 6 . 1 1 82 82 PHE N N 82 117.853 117.853 119.225 -1.372 18431 2630 1 6 . 1 1 82 82 PHE HA H 82 4.201 4.201 4.270 -0.069 18431 2631 1 6 . 1 1 82 82 PHE CA C 82 62.679 62.679 60.356 2.323 18431 2632 1 6 . 1 1 82 82 PHE CB C 82 38.078 38.078 38.829 -0.751 18431 2633 1 6 . 1 1 82 82 PHE H H 82 8.455 8.455 8.192 0.263 18431 2634 1 6 . 1 1 83 83 ASP N N 83 118.244 118.244 119.005 -0.761 18431 2635 1 6 . 1 1 83 83 ASP HA H 83 4.250 4.250 3.960 0.290 18431 2636 1 6 . 1 1 83 83 ASP CA C 83 57.602 57.602 57.674 -0.072 18431 2637 1 6 . 1 1 83 83 ASP CB C 83 40.117 40.117 40.737 -0.620 18431 2638 1 6 . 1 1 83 83 ASP H H 83 7.615 7.615 7.930 -0.315 18431 2639 1 6 . 1 1 84 84 PHE N N 84 120.090 120.090 119.706 0.384 18431 2640 1 6 . 1 1 84 84 PHE HA H 84 4.319 4.319 4.296 0.023 18431 2641 1 6 . 1 1 84 84 PHE CA C 84 61.110 61.110 60.972 0.138 18431 2642 1 6 . 1 1 84 84 PHE CB C 84 39.225 39.225 39.645 -0.420 18431 2643 1 6 . 1 1 84 84 PHE H H 84 7.849 7.849 7.532 0.317 18431 2644 1 6 . 1 1 85 85 ILE N N 85 122.915 122.915 120.171 2.744 18431 2645 1 6 . 1 1 85 85 ILE HA H 85 3.372 3.372 3.600 -0.228 18431 2646 1 6 . 1 1 85 85 ILE CA C 85 65.864 65.864 65.970 -0.106 18431 2647 1 6 . 1 1 85 85 ILE CB C 85 38.422 38.422 38.023 0.399 18431 2648 1 6 . 1 1 85 85 ILE H H 85 8.687 8.687 8.628 0.059 18431 2649 1 6 . 1 1 86 86 LEU N N 86 119.481 119.481 117.215 2.266 18431 2650 1 6 . 1 1 86 86 LEU HA H 86 3.715 3.715 3.946 -0.231 18431 2651 1 6 . 1 1 86 86 LEU CA C 86 57.875 57.875 58.562 -0.687 18431 2652 1 6 . 1 1 86 86 LEU CB C 86 40.602 40.602 40.547 0.056 18431 2653 1 6 . 1 1 86 86 LEU H H 86 8.682 8.682 8.253 0.429 18431 2654 1 6 . 1 1 87 87 ASP N N 87 118.290 118.290 119.161 -0.871 18431 2655 1 6 . 1 1 87 87 ASP HA H 87 4.255 4.255 4.111 0.144 18431 2656 1 6 . 1 1 87 87 ASP CA C 87 57.604 57.604 57.478 0.126 18431 2657 1 6 . 1 1 87 87 ASP CB C 87 40.580 40.580 40.620 -0.040 18431 2658 1 6 . 1 1 87 87 ASP H H 87 8.301 8.301 7.690 0.611 18431 2659 1 6 . 1 1 88 88 ASN N N 88 115.606 115.606 117.723 -2.117 18431 2660 1 6 . 1 1 88 88 ASN HA H 88 4.139 4.139 4.383 -0.244 18431 2661 1 6 . 1 1 88 88 ASN CA C 88 57.067 57.067 56.039 1.028 18431 2662 1 6 . 1 1 88 88 ASN CB C 88 39.734 39.734 38.930 0.804 18431 2663 1 6 . 1 1 88 88 ASN H H 88 7.421 7.421 7.562 -0.141 18431 2664 1 6 . 1 1 89 89 VAL N N 89 120.092 120.092 117.957 2.135 18431 2665 1 6 . 1 1 89 89 VAL HA H 89 3.421 3.421 3.773 -0.352 18431 2666 1 6 . 1 1 89 89 VAL CA C 89 66.777 66.777 66.195 0.582 18431 2667 1 6 . 1 1 89 89 VAL CB C 89 31.592 31.592 30.716 0.876 18431 2668 1 6 . 1 1 89 89 VAL H H 89 8.367 8.367 7.707 0.660 18431 2669 1 6 . 1 1 90 90 GLN N N 90 118.315 118.315 117.905 0.410 18431 2670 1 6 . 1 1 90 90 GLN HA H 90 4.427 4.427 4.144 0.283 18431 2671 1 6 . 1 1 90 90 GLN CA C 90 58.918 58.918 57.698 1.220 18431 2672 1 6 . 1 1 90 90 GLN CB C 90 28.471 28.471 28.300 0.171 18431 2673 1 6 . 1 1 90 90 GLN H H 90 8.780 8.780 8.357 0.423 18431 2674 1 6 . 1 1 91 91 VAL N N 91 118.757 118.757 119.908 -1.151 18431 2675 1 6 . 1 1 91 91 VAL HA H 91 3.720 3.720 3.692 0.028 18431 2676 1 6 . 1 1 91 91 VAL CA C 91 66.303 66.303 66.073 0.230 18431 2677 1 6 . 1 1 91 91 VAL CB C 91 31.641 31.641 31.930 -0.289 18431 2678 1 6 . 1 1 91 91 VAL H H 91 7.640 7.640 7.081 0.559 18431 2679 1 6 . 1 1 92 92 VAL N N 92 120.289 120.289 120.199 0.090 18431 2680 1 6 . 1 1 92 92 VAL HA H 92 3.728 3.728 3.661 0.067 18431 2681 1 6 . 1 1 92 92 VAL CA C 92 66.270 66.270 66.479 -0.209 18431 2682 1 6 . 1 1 92 92 VAL CB C 92 31.354 31.354 32.088 -0.734 18431 2683 1 6 . 1 1 92 92 VAL H H 92 7.382 7.382 8.244 -0.862 18431 2684 1 6 . 1 1 93 93 LEU N N 93 123.817 123.817 116.890 6.927 18431 2685 1 6 . 1 1 93 93 LEU HA H 93 4.038 4.038 4.290 -0.252 18431 2686 1 6 . 1 1 93 93 LEU CA C 93 58.777 58.777 57.910 0.867 18431 2687 1 6 . 1 1 93 93 LEU CB C 93 41.790 41.790 41.465 0.325 18431 2688 1 6 . 1 1 93 93 LEU H H 93 8.813 8.813 7.391 1.422 18431 2689 1 6 . 1 1 94 94 GLN N N 94 119.660 119.660 119.517 0.143 18431 2690 1 6 . 1 1 94 94 GLN HA H 94 3.990 3.990 4.277 -0.287 18431 2691 1 6 . 1 1 94 94 GLN CA C 94 58.977 58.977 58.557 0.420 18431 2692 1 6 . 1 1 94 94 GLN CB C 94 28.270 28.270 28.435 -0.165 18431 2693 1 6 . 1 1 94 94 GLN H H 94 8.469 8.469 7.761 0.708 18431 2694 1 6 . 1 1 95 95 GLN N N 95 117.593 117.593 116.958 0.635 18431 2695 1 6 . 1 1 95 95 GLN HA H 95 4.068 4.068 4.150 -0.082 18431 2696 1 6 . 1 1 95 95 GLN CA C 95 57.991 57.991 58.173 -0.182 18431 2697 1 6 . 1 1 95 95 GLN CB C 95 28.548 28.548 28.768 -0.220 18431 2698 1 6 . 1 1 95 95 GLN H H 95 8.088 8.088 7.679 0.409 18431 2699 1 6 . 1 1 96 96 THR N N 96 113.065 113.065 112.070 0.995 18431 2700 1 6 . 1 1 96 96 THR HA H 96 4.003 4.003 4.120 -0.117 18431 2701 1 6 . 1 1 96 96 THR CA C 96 64.857 64.857 64.279 0.578 18431 2702 1 6 . 1 1 96 96 THR CB C 96 69.618 69.618 69.362 0.256 18431 2703 1 6 . 1 1 96 96 THR H H 96 7.970 7.970 7.667 0.303 18431 2704 1 6 . 1 1 97 97 TYR N N 97 118.178 118.178 118.595 -0.417 18431 2705 1 6 . 1 1 97 97 TYR HA H 97 4.717 4.717 4.512 0.205 18431 2706 1 6 . 1 1 97 97 TYR CA C 97 58.312 58.312 59.774 -1.462 18431 2707 1 6 . 1 1 97 97 TYR CB C 97 40.223 40.223 39.791 0.432 18431 2708 1 6 . 1 1 97 97 TYR H H 97 8.438 8.438 8.398 0.040 18431 2709 1 6 . 1 1 98 98 GLY N N 98 109.735 109.735 104.317 5.418 18431 2710 1 6 . 1 1 98 98 GLY CA C 98 45.908 45.908 45.136 0.772 18431 2711 1 6 . 1 1 98 98 GLY H H 98 8.014 8.014 8.083 -0.069 18431 2712 1 6 . 1 1 99 99 SER N N 99 114.137 114.137 115.176 -1.039 18431 2713 1 6 . 1 1 99 99 SER HA H 99 4.642 4.642 4.786 -0.144 18431 2714 1 6 . 1 1 99 99 SER CA C 99 57.226 57.226 56.846 0.381 18431 2715 1 6 . 1 1 99 99 SER CB C 99 64.294 64.294 65.084 -0.790 18431 2716 1 6 . 1 1 99 99 SER H H 99 7.666 7.666 7.952 -0.286 18431 2717 1 6 . 1 1 100 100 THR N N 100 110.514 110.514 111.653 -1.139 18431 2718 1 6 . 1 1 100 100 THR HA H 100 4.424 4.424 4.586 -0.162 18431 2719 1 6 . 1 1 100 100 THR CA C 100 60.964 60.964 60.450 0.514 18431 2720 1 6 . 1 1 100 100 THR CB C 100 70.303 70.303 70.584 -0.281 18431 2721 1 6 . 1 1 100 100 THR H H 100 7.899 7.899 8.036 -0.137 18431 2722 1 6 . 1 1 101 101 LEU N N 101 124.047 124.047 121.180 2.867 18431 2723 1 6 . 1 1 101 101 LEU HA H 101 4.313 4.313 4.591 -0.278 18431 2724 1 6 . 1 1 101 101 LEU CA C 101 54.930 54.930 54.247 0.683 18431 2725 1 6 . 1 1 101 101 LEU CB C 101 42.501 42.501 43.415 -0.914 18431 2726 1 6 . 1 1 101 101 LEU H H 101 8.847 8.847 8.265 0.582 18431 2727 1 6 . 1 1 102 102 LYS N N 102 124.883 124.883 121.437 3.446 18431 2728 1 6 . 1 1 102 102 LYS HA H 102 4.415 4.415 4.415 0.000 18431 2729 1 6 . 1 1 102 102 LYS CA C 102 55.588 55.588 55.945 -0.357 18431 2730 1 6 . 1 1 102 102 LYS CB C 102 32.596 32.596 33.071 -0.475 18431 2731 1 6 . 1 1 102 102 LYS H H 102 8.578 8.578 8.375 0.203 18431 2732 1 6 . 1 1 103 103 VAL N N 103 122.753 122.753 126.633 -3.880 18431 2733 1 6 . 1 1 103 103 VAL HA H 103 4.237 4.237 4.393 -0.156 18431 2734 1 6 . 1 1 103 103 VAL CA C 103 61.956 61.956 61.695 0.261 18431 2735 1 6 . 1 1 103 103 VAL CB C 103 32.747 32.747 31.429 1.318 18431 2736 1 6 . 1 1 103 103 VAL H H 103 8.348 8.348 8.525 -0.177 18431 2737 1 7 . 1 1 9 9 ALA N N 9 123.345 123.345 125.829 -2.484 18431 2738 1 7 . 1 1 9 9 ALA HA H 9 4.549 4.549 4.535 0.014 18431 2739 1 7 . 1 1 9 9 ALA CA C 9 50.151 50.151 51.307 -1.156 18431 2740 1 7 . 1 1 9 9 ALA CB C 9 18.185 18.185 19.317 -1.132 18431 2741 1 7 . 1 1 9 9 ALA H H 9 7.992 7.992 8.329 -0.337 18431 2742 1 7 . 1 1 10 10 PRO HA H 10 4.299 4.299 4.223 0.076 18431 2743 1 7 . 1 1 10 10 PRO CA C 10 62.937 62.937 63.562 -0.625 18431 2744 1 7 . 1 1 10 10 PRO CB C 10 31.902 31.902 31.897 0.005 18431 2745 1 7 . 1 1 11 11 ASN N N 11 117.877 117.877 113.031 4.846 18431 2746 1 7 . 1 1 11 11 ASN HA H 11 4.646 4.646 4.410 0.236 18431 2747 1 7 . 1 1 11 11 ASN CA C 11 53.077 53.077 53.414 -0.337 18431 2748 1 7 . 1 1 11 11 ASN CB C 11 38.590 38.590 37.267 1.323 18431 2749 1 7 . 1 1 11 11 ASN H H 11 8.467 8.467 8.445 0.022 18431 2750 1 7 . 1 1 12 12 LEU N N 12 122.874 122.874 117.716 5.158 18431 2751 1 7 . 1 1 12 12 LEU HA H 12 4.290 4.290 4.933 -0.643 18431 2752 1 7 . 1 1 12 12 LEU CA C 12 55.170 55.170 56.717 -1.547 18431 2753 1 7 . 1 1 12 12 LEU CB C 12 42.131 42.131 42.679 -0.548 18431 2754 1 7 . 1 1 12 12 LEU H H 12 8.196 8.196 8.127 0.069 18431 2755 1 7 . 1 1 13 13 ALA N N 13 123.854 123.854 122.495 1.359 18431 2756 1 7 . 1 1 13 13 ALA HA H 13 4.243 4.243 4.729 -0.486 18431 2757 1 7 . 1 1 13 13 ALA CA C 13 52.672 52.672 51.432 1.240 18431 2758 1 7 . 1 1 13 13 ALA CB C 13 18.923 18.923 19.896 -0.973 18431 2759 1 7 . 1 1 13 13 ALA H H 13 8.214 8.214 7.801 0.413 18431 2760 1 7 . 1 1 14 14 GLY N N 14 107.993 107.993 104.967 3.026 18431 2761 1 7 . 1 1 14 14 GLY CA C 14 44.989 44.989 44.801 0.188 18431 2762 1 7 . 1 1 14 14 GLY H H 14 8.246 8.246 8.185 0.061 18431 2763 1 7 . 1 1 15 15 ALA N N 15 123.594 123.594 121.494 2.100 18431 2764 1 7 . 1 1 15 15 ALA HA H 15 4.330 4.330 4.029 0.301 18431 2765 1 7 . 1 1 15 15 ALA CA C 15 52.147 52.147 52.246 -0.099 18431 2766 1 7 . 1 1 15 15 ALA CB C 15 18.941 18.941 17.917 1.024 18431 2767 1 7 . 1 1 15 15 ALA H H 15 8.017 8.017 7.925 0.092 18431 2768 1 7 . 1 1 16 16 VAL N N 16 119.010 119.010 114.108 4.902 18431 2769 1 7 . 1 1 16 16 VAL HA H 16 4.036 4.036 3.893 0.143 18431 2770 1 7 . 1 1 16 16 VAL CA C 16 62.127 62.127 64.319 -2.192 18431 2771 1 7 . 1 1 16 16 VAL CB C 16 32.727 32.727 31.865 0.862 18431 2772 1 7 . 1 1 16 16 VAL H H 16 8.060 8.060 8.094 -0.034 18431 2773 1 7 . 1 1 17 17 GLU N N 17 124.211 124.211 120.495 3.716 18431 2774 1 7 . 1 1 17 17 GLU HA H 17 4.429 4.429 4.424 0.005 18431 2775 1 7 . 1 1 17 17 GLU CA C 17 57.429 57.429 55.655 1.774 18431 2776 1 7 . 1 1 17 17 GLU CB C 17 29.421 29.421 29.213 0.208 18431 2777 1 7 . 1 1 17 17 GLU H H 17 8.436 8.436 8.227 0.209 18431 2778 1 7 . 1 1 18 18 PHE HA H 18 4.291 4.291 4.121 0.170 18431 2779 1 7 . 1 1 18 18 PHE CA C 18 60.955 60.955 61.434 -0.479 18431 2780 1 7 . 1 1 18 18 PHE CB C 18 38.464 38.464 39.423 -0.959 18431 2781 1 7 . 1 1 19 19 SER N N 19 112.147 112.147 112.628 -0.481 18431 2782 1 7 . 1 1 19 19 SER HA H 19 3.659 3.659 3.953 -0.294 18431 2783 1 7 . 1 1 19 19 SER CA C 19 61.576 61.576 61.035 0.541 18431 2784 1 7 . 1 1 19 19 SER CB C 19 61.649 61.649 62.139 -0.490 18431 2785 1 7 . 1 1 19 19 SER H H 19 8.871 8.871 8.287 0.584 18431 2786 1 7 . 1 1 20 20 ASP N N 20 120.916 120.916 122.808 -1.892 18431 2787 1 7 . 1 1 20 20 ASP HA H 20 4.492 4.492 4.469 0.023 18431 2788 1 7 . 1 1 20 20 ASP CA C 20 56.696 56.696 56.904 -0.208 18431 2789 1 7 . 1 1 20 20 ASP CB C 20 40.543 40.543 41.097 -0.554 18431 2790 1 7 . 1 1 20 20 ASP H H 20 7.019 7.019 7.611 -0.592 18431 2791 1 7 . 1 1 21 21 VAL HA H 21 3.224 3.224 3.404 -0.180 18431 2792 1 7 . 1 1 21 21 VAL CA C 21 66.801 66.801 66.224 0.577 18431 2793 1 7 . 1 1 21 21 VAL CB C 21 31.741 31.741 31.378 0.363 18431 2794 1 7 . 1 1 22 22 LYS HA H 22 3.435 3.435 3.963 -0.528 18431 2795 1 7 . 1 1 22 22 LYS CA C 22 60.282 60.282 59.607 0.675 18431 2796 1 7 . 1 1 22 22 LYS CB C 22 31.283 31.283 31.748 -0.466 18431 2797 1 7 . 1 1 23 23 THR N N 23 116.224 116.224 117.371 -1.147 18431 2798 1 7 . 1 1 23 23 THR HA H 23 3.796 3.796 4.084 -0.288 18431 2799 1 7 . 1 1 23 23 THR CA C 23 66.591 66.591 66.765 -0.174 18431 2800 1 7 . 1 1 23 23 THR CB C 23 68.361 68.361 68.844 -0.482 18431 2801 1 7 . 1 1 23 23 THR H H 23 7.391 7.391 7.724 -0.333 18431 2802 1 7 . 1 1 24 24 LEU HA H 24 4.022 4.022 3.883 0.139 18431 2803 1 7 . 1 1 24 24 LEU CA C 24 57.911 57.911 58.267 -0.356 18431 2804 1 7 . 1 1 24 24 LEU CB C 24 42.110 42.110 41.904 0.206 18431 2805 1 7 . 1 1 24 24 LEU H H 24 7.699 7.699 7.933 -0.234 18431 2806 1 7 . 1 1 25 25 LEU N N 25 118.389 118.389 118.869 -0.480 18431 2807 1 7 . 1 1 25 25 LEU HA H 25 4.135 4.135 4.107 0.028 18431 2808 1 7 . 1 1 25 25 LEU CA C 25 57.864 57.864 57.978 -0.114 18431 2809 1 7 . 1 1 25 25 LEU CB C 25 42.653 42.653 41.869 0.784 18431 2810 1 7 . 1 1 25 25 LEU H H 25 8.331 8.331 7.926 0.405 18431 2811 1 7 . 1 1 26 26 LYS N N 26 118.433 118.433 118.361 0.072 18431 2812 1 7 . 1 1 26 26 LYS HA H 26 3.833 3.833 3.840 -0.007 18431 2813 1 7 . 1 1 26 26 LYS CA C 26 60.095 60.095 59.393 0.702 18431 2814 1 7 . 1 1 26 26 LYS CB C 26 31.623 31.623 31.881 -0.258 18431 2815 1 7 . 1 1 26 26 LYS H H 26 8.464 8.464 7.856 0.608 18431 2816 1 7 . 1 1 27 27 GLU N N 27 120.838 120.838 119.828 1.010 18431 2817 1 7 . 1 1 27 27 GLU HA H 27 3.945 3.945 4.264 -0.319 18431 2818 1 7 . 1 1 27 27 GLU CA C 27 59.509 59.509 59.066 0.443 18431 2819 1 7 . 1 1 27 27 GLU CB C 27 29.199 29.199 29.558 -0.359 18431 2820 1 7 . 1 1 27 27 GLU H H 27 8.246 8.246 8.271 -0.025 18431 2821 1 7 . 1 1 28 28 TRP N N 28 122.200 122.200 121.290 0.910 18431 2822 1 7 . 1 1 28 28 TRP HA H 28 4.597 4.597 4.621 -0.024 18431 2823 1 7 . 1 1 28 28 TRP CA C 28 59.443 59.443 60.477 -1.034 18431 2824 1 7 . 1 1 28 28 TRP CB C 28 29.083 29.083 29.449 -0.366 18431 2825 1 7 . 1 1 28 28 TRP H H 28 8.143 8.143 7.958 0.185 18431 2826 1 7 . 1 1 29 29 ILE N N 29 114.954 114.954 116.752 -1.798 18431 2827 1 7 . 1 1 29 29 ILE HA H 29 2.742 2.742 3.414 -0.672 18431 2828 1 7 . 1 1 29 29 ILE CA C 29 62.759 62.759 62.561 0.198 18431 2829 1 7 . 1 1 29 29 ILE CB C 29 37.992 37.992 38.194 -0.202 18431 2830 1 7 . 1 1 29 29 ILE H H 29 7.999 7.999 7.477 0.522 18431 2831 1 7 . 1 1 30 30 THR N N 30 106.869 106.869 113.313 -6.444 18431 2832 1 7 . 1 1 30 30 THR HA H 30 4.117 4.117 4.215 -0.098 18431 2833 1 7 . 1 1 30 30 THR CA C 30 63.447 63.447 64.079 -0.632 18431 2834 1 7 . 1 1 30 30 THR CB C 30 70.045 70.045 69.080 0.965 18431 2835 1 7 . 1 1 30 30 THR H H 30 7.622 7.622 7.811 -0.189 18431 2836 1 7 . 1 1 31 31 THR N N 31 111.890 111.890 114.745 -2.855 18431 2837 1 7 . 1 1 31 31 THR HA H 31 4.503 4.503 4.149 0.354 18431 2838 1 7 . 1 1 31 31 THR CA C 31 63.231 63.231 64.518 -1.287 18431 2839 1 7 . 1 1 31 31 THR CB C 31 70.556 70.556 69.157 1.399 18431 2840 1 7 . 1 1 31 31 THR H H 31 7.588 7.588 7.987 -0.399 18431 2841 1 7 . 1 1 32 32 ILE N N 32 123.663 123.663 121.393 2.270 18431 2842 1 7 . 1 1 32 32 ILE HA H 32 4.499 4.499 4.316 0.183 18431 2843 1 7 . 1 1 32 32 ILE CA C 32 59.426 59.426 59.825 -0.399 18431 2844 1 7 . 1 1 32 32 ILE CB C 32 37.378 37.378 38.247 -0.869 18431 2845 1 7 . 1 1 32 32 ILE H H 32 7.929 7.929 7.509 0.420 18431 2846 1 7 . 1 1 33 33 SER N N 33 119.544 119.544 118.053 1.491 18431 2847 1 7 . 1 1 33 33 SER HA H 33 4.523 4.523 4.789 -0.266 18431 2848 1 7 . 1 1 33 33 SER CA C 33 59.189 59.189 59.069 0.120 18431 2849 1 7 . 1 1 33 33 SER CB C 33 63.838 63.838 65.349 -1.511 18431 2850 1 7 . 1 1 33 33 SER H H 33 8.418 8.418 8.720 -0.302 18431 2851 1 7 . 1 1 34 34 ASP HA H 34 4.821 4.821 4.773 0.048 18431 2852 1 7 . 1 1 34 34 ASP CA C 34 51.168 51.168 51.591 -0.423 18431 2853 1 7 . 1 1 34 34 ASP CB C 34 41.139 41.139 41.688 -0.549 18431 2854 1 7 . 1 1 34 34 ASP H H 34 7.730 7.730 7.975 -0.245 18431 2855 1 7 . 1 1 35 35 PRO HA H 35 4.167 4.167 4.569 -0.402 18431 2856 1 7 . 1 1 35 35 PRO CA C 35 62.085 62.085 62.751 -0.666 18431 2857 1 7 . 1 1 35 35 PRO CB C 35 31.767 31.767 32.736 -0.970 18431 2858 1 7 . 1 1 36 36 MET N N 36 121.309 121.309 119.895 1.414 18431 2859 1 7 . 1 1 36 36 MET HA H 36 4.565 4.565 4.627 -0.062 18431 2860 1 7 . 1 1 36 36 MET CA C 36 53.867 53.867 53.811 0.056 18431 2861 1 7 . 1 1 36 36 MET CB C 36 32.411 32.411 34.173 -1.762 18431 2862 1 7 . 1 1 36 36 MET H H 36 9.165 9.165 8.160 1.005 18431 2863 1 7 . 1 1 37 37 GLU N N 37 125.284 125.284 119.889 5.395 18431 2864 1 7 . 1 1 37 37 GLU HA H 37 3.744 3.744 3.950 -0.206 18431 2865 1 7 . 1 1 37 37 GLU CA C 37 60.307 60.307 59.560 0.746 18431 2866 1 7 . 1 1 37 37 GLU CB C 37 29.448 29.448 29.002 0.446 18431 2867 1 7 . 1 1 37 37 GLU H H 37 9.034 9.034 8.870 0.164 18431 2868 1 7 . 1 1 38 38 GLU N N 38 116.000 116.000 118.127 -2.127 18431 2869 1 7 . 1 1 38 38 GLU HA H 38 4.003 4.003 4.002 0.001 18431 2870 1 7 . 1 1 38 38 GLU CA C 38 59.588 59.588 59.065 0.523 18431 2871 1 7 . 1 1 38 38 GLU CB C 38 29.280 29.280 28.903 0.377 18431 2872 1 7 . 1 1 38 38 GLU H H 38 9.356 9.356 8.690 0.666 18431 2873 1 7 . 1 1 39 39 ASP N N 39 118.974 118.974 120.381 -1.407 18431 2874 1 7 . 1 1 39 39 ASP HA H 39 4.493 4.493 4.488 0.005 18431 2875 1 7 . 1 1 39 39 ASP CA C 39 57.231 57.231 55.983 1.248 18431 2876 1 7 . 1 1 39 39 ASP CB C 39 41.226 41.226 41.204 0.022 18431 2877 1 7 . 1 1 39 39 ASP H H 39 7.169 7.169 7.639 -0.470 18431 2878 1 7 . 1 1 40 40 ILE N N 40 120.269 120.269 120.572 -0.303 18431 2879 1 7 . 1 1 40 40 ILE HA H 40 3.845 3.845 3.937 -0.092 18431 2880 1 7 . 1 1 40 40 ILE CA C 40 65.345 65.345 64.937 0.408 18431 2881 1 7 . 1 1 40 40 ILE CB C 40 37.500 37.500 38.288 -0.788 18431 2882 1 7 . 1 1 40 40 ILE H H 40 7.766 7.766 7.807 -0.041 18431 2883 1 7 . 1 1 41 41 LEU N N 41 118.715 118.715 119.285 -0.570 18431 2884 1 7 . 1 1 41 41 LEU HA H 41 4.131 4.131 4.087 0.044 18431 2885 1 7 . 1 1 41 41 LEU CA C 41 57.835 57.835 57.512 0.323 18431 2886 1 7 . 1 1 41 41 LEU CB C 41 40.819 40.819 41.573 -0.754 18431 2887 1 7 . 1 1 41 41 LEU H H 41 8.726 8.726 8.310 0.416 18431 2888 1 7 . 1 1 42 42 GLN N N 42 119.539 119.539 118.863 0.676 18431 2889 1 7 . 1 1 42 42 GLN HA H 42 4.177 4.177 4.037 0.140 18431 2890 1 7 . 1 1 42 42 GLN CA C 42 59.241 59.241 58.607 0.634 18431 2891 1 7 . 1 1 42 42 GLN CB C 42 28.518 28.518 28.056 0.462 18431 2892 1 7 . 1 1 42 42 GLN H H 42 7.768 7.768 7.556 0.212 18431 2893 1 7 . 1 1 43 43 VAL N N 43 121.194 121.194 116.202 4.992 18431 2894 1 7 . 1 1 43 43 VAL HA H 43 3.787 3.787 3.812 -0.025 18431 2895 1 7 . 1 1 43 43 VAL CA C 43 66.760 66.760 65.501 1.259 18431 2896 1 7 . 1 1 43 43 VAL CB C 43 31.423 31.423 30.595 0.828 18431 2897 1 7 . 1 1 43 43 VAL H H 43 7.712 7.712 7.343 0.369 18431 2898 1 7 . 1 1 44 44 VAL N N 44 120.876 120.876 120.502 0.374 18431 2899 1 7 . 1 1 44 44 VAL HA H 44 3.422 3.422 3.786 -0.364 18431 2900 1 7 . 1 1 44 44 VAL CA C 44 67.910 67.910 66.044 1.866 18431 2901 1 7 . 1 1 44 44 VAL CB C 44 31.392 31.392 30.704 0.688 18431 2902 1 7 . 1 1 44 44 VAL H H 44 8.232 8.232 7.316 0.916 18431 2903 1 7 . 1 1 45 45 ARG N N 45 120.934 120.934 119.817 1.117 18431 2904 1 7 . 1 1 45 45 ARG HA H 45 4.148 4.148 4.096 0.052 18431 2905 1 7 . 1 1 45 45 ARG CA C 45 58.593 58.593 58.741 -0.148 18431 2906 1 7 . 1 1 45 45 ARG CB C 45 29.608 29.608 29.390 0.218 18431 2907 1 7 . 1 1 45 45 ARG H H 45 8.489 8.489 7.802 0.687 18431 2908 1 7 . 1 1 46 46 TYR N N 46 120.548 120.548 121.942 -1.394 18431 2909 1 7 . 1 1 46 46 TYR HA H 46 4.547 4.547 4.319 0.228 18431 2910 1 7 . 1 1 46 46 TYR CA C 46 60.926 60.926 61.221 -0.295 18431 2911 1 7 . 1 1 46 46 TYR CB C 46 38.447 38.447 37.857 0.590 18431 2912 1 7 . 1 1 46 46 TYR H H 46 7.870 7.870 7.737 0.133 18431 2913 1 7 . 1 1 47 47 CYS N N 47 115.132 115.132 117.146 -2.014 18431 2914 1 7 . 1 1 47 47 CYS HA H 47 3.738 3.738 3.762 -0.024 18431 2915 1 7 . 1 1 47 47 CYS CA C 47 64.313 64.313 64.056 0.257 18431 2916 1 7 . 1 1 47 47 CYS CB C 47 27.744 27.744 27.576 0.168 18431 2917 1 7 . 1 1 47 47 CYS H H 47 8.109 8.109 7.883 0.226 18431 2918 1 7 . 1 1 48 48 THR N N 48 114.153 114.153 116.520 -2.367 18431 2919 1 7 . 1 1 48 48 THR HA H 48 3.877 3.877 4.088 -0.211 18431 2920 1 7 . 1 1 48 48 THR CA C 48 66.755 66.755 66.454 0.300 18431 2921 1 7 . 1 1 48 48 THR CB C 48 67.593 67.593 68.130 -0.537 18431 2922 1 7 . 1 1 48 48 THR H H 48 8.776 8.776 8.073 0.703 18431 2923 1 7 . 1 1 49 49 ASP N N 49 126.528 126.528 121.562 4.966 18431 2924 1 7 . 1 1 49 49 ASP HA H 49 4.425 4.425 4.422 0.003 18431 2925 1 7 . 1 1 49 49 ASP CA C 49 57.688 57.688 57.151 0.537 18431 2926 1 7 . 1 1 49 49 ASP CB C 49 39.249 39.249 40.469 -1.220 18431 2927 1 7 . 1 1 49 49 ASP H H 49 8.697 8.697 8.302 0.395 18431 2928 1 7 . 1 1 50 50 LEU HA H 50 3.924 3.924 3.977 -0.053 18431 2929 1 7 . 1 1 50 50 LEU CA C 50 58.157 58.157 57.712 0.445 18431 2930 1 7 . 1 1 50 50 LEU CB C 50 41.408 41.408 41.818 -0.410 18431 2931 1 7 . 1 1 51 51 ILE N N 51 118.832 118.832 117.563 1.269 18431 2932 1 7 . 1 1 51 51 ILE HA H 51 3.417 3.417 3.744 -0.327 18431 2933 1 7 . 1 1 51 51 ILE CA C 51 66.261 66.261 64.650 1.611 18431 2934 1 7 . 1 1 51 51 ILE CB C 51 37.691 37.691 37.313 0.378 18431 2935 1 7 . 1 1 51 51 ILE H H 51 7.639 7.639 7.360 0.279 18431 2936 1 7 . 1 1 52 52 GLU N N 52 123.247 123.247 119.508 3.739 18431 2937 1 7 . 1 1 52 52 GLU HA H 52 4.001 4.001 4.125 -0.124 18431 2938 1 7 . 1 1 52 52 GLU CA C 52 59.592 59.592 58.741 0.851 18431 2939 1 7 . 1 1 52 52 GLU CB C 52 29.068 29.068 29.489 -0.421 18431 2940 1 7 . 1 1 52 52 GLU H H 52 8.506 8.506 7.918 0.588 18431 2941 1 7 . 1 1 53 53 GLU N N 53 116.384 116.384 116.292 0.092 18431 2942 1 7 . 1 1 53 53 GLU HA H 53 4.294 4.294 4.457 -0.163 18431 2943 1 7 . 1 1 53 53 GLU CA C 53 55.907 55.907 55.828 0.079 18431 2944 1 7 . 1 1 53 53 GLU CB C 53 29.710 29.710 29.509 0.201 18431 2945 1 7 . 1 1 53 53 GLU H H 53 7.716 7.716 7.665 0.051 18431 2946 1 7 . 1 1 54 54 LYS N N 54 116.934 116.934 114.724 2.210 18431 2947 1 7 . 1 1 54 54 LYS HA H 54 3.662 3.662 3.955 -0.293 18431 2948 1 7 . 1 1 54 54 LYS CA C 54 57.278 57.278 57.935 -0.657 18431 2949 1 7 . 1 1 54 54 LYS CB C 54 29.785 29.785 30.111 -0.326 18431 2950 1 7 . 1 1 54 54 LYS H H 54 8.089 8.089 7.530 0.559 18431 2951 1 7 . 1 1 55 55 ASP N N 55 122.549 122.549 119.238 3.311 18431 2952 1 7 . 1 1 55 55 ASP HA H 55 5.058 5.058 4.848 0.210 18431 2953 1 7 . 1 1 55 55 ASP CA C 55 51.306 51.306 52.916 -1.611 18431 2954 1 7 . 1 1 55 55 ASP CB C 55 38.856 38.856 40.597 -1.741 18431 2955 1 7 . 1 1 55 55 ASP H H 55 8.497 8.497 8.298 0.199 18431 2956 1 7 . 1 1 56 56 LEU N N 56 119.627 119.627 117.298 2.329 18431 2957 1 7 . 1 1 56 56 LEU HA H 56 3.901 3.901 4.378 -0.477 18431 2958 1 7 . 1 1 56 56 LEU CA C 56 56.528 56.528 55.108 1.420 18431 2959 1 7 . 1 1 56 56 LEU CB C 56 40.034 40.034 40.302 -0.268 18431 2960 1 7 . 1 1 56 56 LEU H H 56 7.578 7.578 8.005 -0.427 18431 2961 1 7 . 1 1 57 57 GLU N N 57 121.433 121.433 120.611 0.822 18431 2962 1 7 . 1 1 57 57 GLU HA H 57 4.041 4.041 3.870 0.171 18431 2963 1 7 . 1 1 57 57 GLU CA C 57 59.321 59.321 59.731 -0.410 18431 2964 1 7 . 1 1 57 57 GLU CB C 57 29.229 29.229 29.092 0.137 18431 2965 1 7 . 1 1 57 57 GLU H H 57 8.614 8.614 8.549 0.065 18431 2966 1 7 . 1 1 58 58 LYS N N 58 119.832 119.832 117.533 2.299 18431 2967 1 7 . 1 1 58 58 LYS HA H 58 3.760 3.760 4.026 -0.266 18431 2968 1 7 . 1 1 58 58 LYS CA C 58 59.273 59.273 58.521 0.752 18431 2969 1 7 . 1 1 58 58 LYS CB C 58 32.370 32.370 32.095 0.275 18431 2970 1 7 . 1 1 58 58 LYS H H 58 7.527 7.527 7.529 -0.002 18431 2971 1 7 . 1 1 59 59 LEU N N 59 117.844 117.844 122.114 -4.270 18431 2972 1 7 . 1 1 59 59 LEU HA H 59 3.912 3.912 4.037 -0.125 18431 2973 1 7 . 1 1 59 59 LEU CA C 59 57.865 57.865 57.758 0.107 18431 2974 1 7 . 1 1 59 59 LEU CB C 59 41.382 41.382 41.538 -0.156 18431 2975 1 7 . 1 1 59 59 LEU H H 59 7.570 7.570 7.570 -0.000 18431 2976 1 7 . 1 1 60 60 ASP N N 60 117.630 117.630 118.299 -0.669 18431 2977 1 7 . 1 1 60 60 ASP HA H 60 4.273 4.273 4.338 -0.065 18431 2978 1 7 . 1 1 60 60 ASP CA C 60 57.695 57.695 57.366 0.329 18431 2979 1 7 . 1 1 60 60 ASP CB C 60 42.074 42.074 40.857 1.217 18431 2980 1 7 . 1 1 60 60 ASP H H 60 7.849 7.849 8.082 -0.233 18431 2981 1 7 . 1 1 61 61 LEU N N 61 116.500 116.500 118.601 -2.101 18431 2982 1 7 . 1 1 61 61 LEU HA H 61 3.924 3.924 4.165 -0.241 18431 2983 1 7 . 1 1 61 61 LEU CA C 61 57.886 57.886 57.032 0.854 18431 2984 1 7 . 1 1 61 61 LEU CB C 61 41.825 41.825 41.753 0.072 18431 2985 1 7 . 1 1 61 61 LEU H H 61 7.484 7.484 7.442 0.042 18431 2986 1 7 . 1 1 62 62 VAL N N 62 120.681 120.681 119.397 1.284 18431 2987 1 7 . 1 1 62 62 VAL HA H 62 3.963 3.963 3.943 0.020 18431 2988 1 7 . 1 1 62 62 VAL CA C 62 66.843 66.843 66.184 0.659 18431 2989 1 7 . 1 1 62 62 VAL CB C 62 31.954 31.954 31.291 0.662 18431 2990 1 7 . 1 1 62 62 VAL H H 62 8.682 8.682 7.607 1.075 18431 2991 1 7 . 1 1 63 63 ILE N N 63 122.448 122.448 118.216 4.232 18431 2992 1 7 . 1 1 63 63 ILE HA H 63 3.995 3.995 3.884 0.111 18431 2993 1 7 . 1 1 63 63 ILE CA C 63 63.777 63.777 64.155 -0.378 18431 2994 1 7 . 1 1 63 63 ILE CB C 63 35.707 35.707 36.214 -0.507 18431 2995 1 7 . 1 1 63 63 ILE H H 63 8.824 8.824 8.341 0.483 18431 2996 1 7 . 1 1 64 64 LYS N N 64 118.898 118.898 118.658 0.240 18431 2997 1 7 . 1 1 64 64 LYS HA H 64 3.889 3.889 4.152 -0.263 18431 2998 1 7 . 1 1 64 64 LYS CA C 64 60.416 60.416 58.526 1.891 18431 2999 1 7 . 1 1 64 64 LYS CB C 64 32.563 32.563 31.921 0.642 18431 3000 1 7 . 1 1 64 64 LYS H H 64 8.368 8.368 7.746 0.622 18431 3001 1 7 . 1 1 65 65 TYR N N 65 121.217 121.217 121.898 -0.681 18431 3002 1 7 . 1 1 65 65 TYR HA H 65 4.330 4.330 4.369 -0.039 18431 3003 1 7 . 1 1 65 65 TYR CA C 65 61.779 61.779 60.879 0.900 18431 3004 1 7 . 1 1 65 65 TYR CB C 65 38.898 38.898 38.938 -0.041 18431 3005 1 7 . 1 1 65 65 TYR H H 65 8.200 8.200 7.822 0.378 18431 3006 1 7 . 1 1 66 66 MET N N 66 116.741 116.741 118.349 -1.608 18431 3007 1 7 . 1 1 66 66 MET HA H 66 3.682 3.682 4.046 -0.364 18431 3008 1 7 . 1 1 66 66 MET CA C 66 60.444 60.444 58.963 1.481 18431 3009 1 7 . 1 1 66 66 MET CB C 66 33.627 33.627 33.046 0.581 18431 3010 1 7 . 1 1 66 66 MET H H 66 8.681 8.681 8.831 -0.150 18431 3011 1 7 . 1 1 67 67 LYS N N 67 119.826 119.826 117.788 2.038 18431 3012 1 7 . 1 1 67 67 LYS HA H 67 2.637 2.637 3.210 -0.573 18431 3013 1 7 . 1 1 67 67 LYS CA C 67 59.949 59.949 58.595 1.354 18431 3014 1 7 . 1 1 67 67 LYS CB C 67 32.596 32.596 31.582 1.014 18431 3015 1 7 . 1 1 67 67 LYS H H 67 8.563 8.563 7.839 0.724 18431 3016 1 7 . 1 1 68 68 ARG N N 68 116.343 116.343 118.918 -2.575 18431 3017 1 7 . 1 1 68 68 ARG HA H 68 3.859 3.859 4.091 -0.232 18431 3018 1 7 . 1 1 68 68 ARG CA C 68 58.254 58.254 58.234 0.020 18431 3019 1 7 . 1 1 68 68 ARG CB C 68 29.605 29.605 29.820 -0.215 18431 3020 1 7 . 1 1 68 68 ARG H H 68 7.117 7.117 7.543 -0.426 18431 3021 1 7 . 1 1 69 69 LEU N N 69 116.573 116.573 121.143 -4.570 18431 3022 1 7 . 1 1 69 69 LEU HA H 69 3.847 3.847 4.054 -0.207 18431 3023 1 7 . 1 1 69 69 LEU CA C 69 56.861 56.861 56.839 0.022 18431 3024 1 7 . 1 1 69 69 LEU CB C 69 42.950 42.950 41.985 0.965 18431 3025 1 7 . 1 1 69 69 LEU H H 69 7.360 7.360 7.577 -0.217 18431 3026 1 7 . 1 1 70 70 MET N N 70 115.874 115.874 116.573 -0.699 18431 3027 1 7 . 1 1 70 70 MET HA H 70 3.823 3.823 3.765 0.058 18431 3028 1 7 . 1 1 70 70 MET CA C 70 59.195 59.195 58.481 0.714 18431 3029 1 7 . 1 1 70 70 MET CB C 70 32.315 32.315 32.296 0.019 18431 3030 1 7 . 1 1 70 70 MET H H 70 8.769 8.769 7.590 1.179 18431 3031 1 7 . 1 1 71 71 GLN N N 71 114.286 114.286 117.690 -3.404 18431 3032 1 7 . 1 1 71 71 GLN HA H 71 4.416 4.416 3.960 0.456 18431 3033 1 7 . 1 1 71 71 GLN CA C 71 56.527 56.527 58.667 -2.140 18431 3034 1 7 . 1 1 71 71 GLN CB C 71 27.446 27.446 28.164 -0.718 18431 3035 1 7 . 1 1 71 71 GLN H H 71 7.522 7.522 7.685 -0.163 18431 3036 1 7 . 1 1 72 72 GLN N N 72 117.645 117.645 115.853 1.792 18431 3037 1 7 . 1 1 72 72 GLN HA H 72 4.198 4.198 4.028 0.170 18431 3038 1 7 . 1 1 72 72 GLN CA C 72 56.549 56.549 56.878 -0.329 18431 3039 1 7 . 1 1 72 72 GLN CB C 72 28.824 28.824 28.487 0.337 18431 3040 1 7 . 1 1 72 72 GLN H H 72 7.279 7.279 7.502 -0.223 18431 3041 1 7 . 1 1 73 73 SER N N 73 113.600 113.600 115.335 -1.735 18431 3042 1 7 . 1 1 73 73 SER HA H 73 4.504 4.504 4.438 0.066 18431 3043 1 7 . 1 1 73 73 SER CA C 73 57.600 57.600 57.421 0.179 18431 3044 1 7 . 1 1 73 73 SER CB C 73 63.542 63.542 64.506 -0.964 18431 3045 1 7 . 1 1 73 73 SER H H 73 7.588 7.588 7.512 0.076 18431 3046 1 7 . 1 1 74 74 VAL N N 74 121.652 121.652 116.016 5.636 18431 3047 1 7 . 1 1 74 74 VAL HA H 74 4.136 4.136 4.209 -0.073 18431 3048 1 7 . 1 1 74 74 VAL CA C 74 62.985 62.985 62.289 0.696 18431 3049 1 7 . 1 1 74 74 VAL CB C 74 31.797 31.797 32.453 -0.656 18431 3050 1 7 . 1 1 74 74 VAL H H 74 8.300 8.300 8.241 0.059 18431 3051 1 7 . 1 1 75 75 GLU N N 75 120.481 120.481 122.168 -1.687 18431 3052 1 7 . 1 1 75 75 GLU HA H 75 4.415 4.415 4.337 0.078 18431 3053 1 7 . 1 1 75 75 GLU CA C 75 56.061 56.061 56.983 -0.922 18431 3054 1 7 . 1 1 75 75 GLU CB C 75 29.153 29.153 30.150 -0.997 18431 3055 1 7 . 1 1 75 75 GLU H H 75 8.486 8.486 8.410 0.076 18431 3056 1 7 . 1 1 76 76 SER HA H 76 4.498 4.498 4.218 0.280 18431 3057 1 7 . 1 1 76 76 SER CA C 76 59.426 59.426 61.564 -2.138 18431 3058 1 7 . 1 1 76 76 SER CB C 76 64.071 64.071 63.244 0.827 18431 3059 1 7 . 1 1 76 76 SER H H 76 8.142 8.142 8.841 -0.699 18431 3060 1 7 . 1 1 77 77 VAL N N 77 122.712 122.712 121.784 0.928 18431 3061 1 7 . 1 1 77 77 VAL HA H 77 4.036 4.036 3.749 0.287 18431 3062 1 7 . 1 1 77 77 VAL CA C 77 64.600 64.600 65.313 -0.713 18431 3063 1 7 . 1 1 77 77 VAL CB C 77 30.843 30.843 31.056 -0.213 18431 3064 1 7 . 1 1 77 77 VAL H H 77 8.750 8.750 8.148 0.602 18431 3065 1 7 . 1 1 78 78 TRP N N 78 121.247 121.247 119.365 1.882 18431 3066 1 7 . 1 1 78 78 TRP HA H 78 4.507 4.507 4.314 0.193 18431 3067 1 7 . 1 1 78 78 TRP CA C 78 59.753 59.753 60.344 -0.591 18431 3068 1 7 . 1 1 78 78 TRP CB C 78 29.332 29.332 29.328 0.004 18431 3069 1 7 . 1 1 78 78 TRP H H 78 7.837 7.837 7.293 0.544 18431 3070 1 7 . 1 1 79 79 ASN N N 79 119.032 119.032 117.311 1.721 18431 3071 1 7 . 1 1 79 79 ASN HA H 79 4.382 4.382 4.487 -0.105 18431 3072 1 7 . 1 1 79 79 ASN CA C 79 57.406 57.406 56.849 0.557 18431 3073 1 7 . 1 1 79 79 ASN CB C 79 38.813 38.813 38.380 0.433 18431 3074 1 7 . 1 1 79 79 ASN H H 79 7.856 7.856 7.866 -0.010 18431 3075 1 7 . 1 1 80 80 MET N N 80 117.280 117.280 117.633 -0.353 18431 3076 1 7 . 1 1 80 80 MET HA H 80 4.383 4.383 4.627 -0.244 18431 3077 1 7 . 1 1 80 80 MET CA C 80 58.111 58.111 57.569 0.542 18431 3078 1 7 . 1 1 80 80 MET CB C 80 32.350 32.350 31.974 0.376 18431 3079 1 7 . 1 1 80 80 MET H H 80 7.765 7.765 8.693 -0.928 18431 3080 1 7 . 1 1 81 81 ALA N N 81 123.582 123.582 123.566 0.016 18431 3081 1 7 . 1 1 81 81 ALA HA H 81 4.220 4.220 4.112 0.108 18431 3082 1 7 . 1 1 81 81 ALA CA C 81 54.997 54.997 55.271 -0.274 18431 3083 1 7 . 1 1 81 81 ALA CB C 81 17.615 17.615 17.903 -0.288 18431 3084 1 7 . 1 1 81 81 ALA H H 81 8.019 8.019 7.774 0.245 18431 3085 1 7 . 1 1 82 82 PHE N N 82 117.853 117.853 119.369 -1.516 18431 3086 1 7 . 1 1 82 82 PHE HA H 82 4.201 4.201 4.251 -0.050 18431 3087 1 7 . 1 1 82 82 PHE CA C 82 62.679 62.679 60.513 2.166 18431 3088 1 7 . 1 1 82 82 PHE CB C 82 38.078 38.078 38.774 -0.696 18431 3089 1 7 . 1 1 82 82 PHE H H 82 8.455 8.455 8.423 0.032 18431 3090 1 7 . 1 1 83 83 ASP N N 83 118.244 118.244 118.982 -0.738 18431 3091 1 7 . 1 1 83 83 ASP HA H 83 4.250 4.250 3.947 0.303 18431 3092 1 7 . 1 1 83 83 ASP CA C 83 57.602 57.602 57.938 -0.336 18431 3093 1 7 . 1 1 83 83 ASP CB C 83 40.117 40.117 40.462 -0.344 18431 3094 1 7 . 1 1 83 83 ASP H H 83 7.615 7.615 7.983 -0.368 18431 3095 1 7 . 1 1 84 84 PHE N N 84 120.090 120.090 120.491 -0.401 18431 3096 1 7 . 1 1 84 84 PHE HA H 84 4.319 4.319 4.267 0.052 18431 3097 1 7 . 1 1 84 84 PHE CA C 84 61.110 61.110 60.948 0.162 18431 3098 1 7 . 1 1 84 84 PHE CB C 84 39.225 39.225 39.507 -0.282 18431 3099 1 7 . 1 1 84 84 PHE H H 84 7.849 7.849 7.436 0.413 18431 3100 1 7 . 1 1 85 85 ILE N N 85 122.915 122.915 120.046 2.869 18431 3101 1 7 . 1 1 85 85 ILE HA H 85 3.372 3.372 3.686 -0.314 18431 3102 1 7 . 1 1 85 85 ILE CA C 85 65.864 65.864 65.971 -0.107 18431 3103 1 7 . 1 1 85 85 ILE CB C 85 38.422 38.422 38.053 0.369 18431 3104 1 7 . 1 1 85 85 ILE H H 85 8.687 8.687 8.825 -0.138 18431 3105 1 7 . 1 1 86 86 LEU N N 86 119.481 119.481 117.371 2.110 18431 3106 1 7 . 1 1 86 86 LEU HA H 86 3.715 3.715 3.968 -0.253 18431 3107 1 7 . 1 1 86 86 LEU CA C 86 57.875 57.875 58.460 -0.585 18431 3108 1 7 . 1 1 86 86 LEU CB C 86 40.602 40.602 40.716 -0.114 18431 3109 1 7 . 1 1 86 86 LEU H H 86 8.682 8.682 8.301 0.381 18431 3110 1 7 . 1 1 87 87 ASP N N 87 118.290 118.290 119.216 -0.926 18431 3111 1 7 . 1 1 87 87 ASP HA H 87 4.255 4.255 4.201 0.054 18431 3112 1 7 . 1 1 87 87 ASP CA C 87 57.604 57.604 57.302 0.302 18431 3113 1 7 . 1 1 87 87 ASP CB C 87 40.580 40.580 40.522 0.058 18431 3114 1 7 . 1 1 87 87 ASP H H 87 8.301 8.301 7.701 0.600 18431 3115 1 7 . 1 1 88 88 ASN N N 88 115.606 115.606 117.889 -2.283 18431 3116 1 7 . 1 1 88 88 ASN HA H 88 4.139 4.139 4.348 -0.209 18431 3117 1 7 . 1 1 88 88 ASN CA C 88 57.067 57.067 56.160 0.907 18431 3118 1 7 . 1 1 88 88 ASN CB C 88 39.734 39.734 38.931 0.803 18431 3119 1 7 . 1 1 88 88 ASN H H 88 7.421 7.421 7.862 -0.441 18431 3120 1 7 . 1 1 89 89 VAL N N 89 120.092 120.092 117.451 2.641 18431 3121 1 7 . 1 1 89 89 VAL HA H 89 3.421 3.421 3.953 -0.532 18431 3122 1 7 . 1 1 89 89 VAL CA C 89 66.777 66.777 65.115 1.662 18431 3123 1 7 . 1 1 89 89 VAL CB C 89 31.592 31.592 31.230 0.362 18431 3124 1 7 . 1 1 89 89 VAL H H 89 8.367 8.367 7.656 0.711 18431 3125 1 7 . 1 1 90 90 GLN N N 90 118.315 118.315 118.279 0.036 18431 3126 1 7 . 1 1 90 90 GLN HA H 90 4.427 4.427 4.121 0.306 18431 3127 1 7 . 1 1 90 90 GLN CA C 90 58.918 58.918 58.483 0.434 18431 3128 1 7 . 1 1 90 90 GLN CB C 90 28.471 28.471 28.748 -0.277 18431 3129 1 7 . 1 1 90 90 GLN H H 90 8.780 8.780 8.079 0.701 18431 3130 1 7 . 1 1 91 91 VAL N N 91 118.757 118.757 120.332 -1.575 18431 3131 1 7 . 1 1 91 91 VAL HA H 91 3.720 3.720 3.728 -0.008 18431 3132 1 7 . 1 1 91 91 VAL CA C 91 66.303 66.303 65.721 0.582 18431 3133 1 7 . 1 1 91 91 VAL CB C 91 31.641 31.641 31.577 0.064 18431 3134 1 7 . 1 1 91 91 VAL H H 91 7.640 7.640 7.816 -0.176 18431 3135 1 7 . 1 1 92 92 VAL N N 92 120.289 120.289 119.915 0.374 18431 3136 1 7 . 1 1 92 92 VAL HA H 92 3.728 3.728 3.681 0.047 18431 3137 1 7 . 1 1 92 92 VAL CA C 92 66.270 66.270 66.438 -0.168 18431 3138 1 7 . 1 1 92 92 VAL CB C 92 31.354 31.354 31.989 -0.635 18431 3139 1 7 . 1 1 92 92 VAL H H 92 7.382 7.382 7.732 -0.350 18431 3140 1 7 . 1 1 93 93 LEU N N 93 123.817 123.817 117.030 6.787 18431 3141 1 7 . 1 1 93 93 LEU HA H 93 4.038 4.038 4.295 -0.257 18431 3142 1 7 . 1 1 93 93 LEU CA C 93 58.777 58.777 57.893 0.884 18431 3143 1 7 . 1 1 93 93 LEU CB C 93 41.790 41.790 41.505 0.285 18431 3144 1 7 . 1 1 93 93 LEU H H 93 8.813 8.813 7.418 1.395 18431 3145 1 7 . 1 1 94 94 GLN N N 94 119.660 119.660 119.559 0.101 18431 3146 1 7 . 1 1 94 94 GLN HA H 94 3.990 3.990 4.286 -0.296 18431 3147 1 7 . 1 1 94 94 GLN CA C 94 58.977 58.977 58.569 0.408 18431 3148 1 7 . 1 1 94 94 GLN CB C 94 28.270 28.270 28.457 -0.187 18431 3149 1 7 . 1 1 94 94 GLN H H 94 8.469 8.469 7.798 0.671 18431 3150 1 7 . 1 1 95 95 GLN N N 95 117.593 117.593 116.913 0.680 18431 3151 1 7 . 1 1 95 95 GLN HA H 95 4.068 4.068 4.159 -0.091 18431 3152 1 7 . 1 1 95 95 GLN CA C 95 57.991 57.991 58.166 -0.175 18431 3153 1 7 . 1 1 95 95 GLN CB C 95 28.548 28.548 28.745 -0.197 18431 3154 1 7 . 1 1 95 95 GLN H H 95 8.088 8.088 7.627 0.461 18431 3155 1 7 . 1 1 96 96 THR N N 96 113.065 113.065 112.350 0.715 18431 3156 1 7 . 1 1 96 96 THR HA H 96 4.003 4.003 4.146 -0.143 18431 3157 1 7 . 1 1 96 96 THR CA C 96 64.857 64.857 64.011 0.846 18431 3158 1 7 . 1 1 96 96 THR CB C 96 69.618 69.618 69.400 0.218 18431 3159 1 7 . 1 1 96 96 THR H H 96 7.970 7.970 7.623 0.347 18431 3160 1 7 . 1 1 97 97 TYR N N 97 118.178 118.178 118.872 -0.694 18431 3161 1 7 . 1 1 97 97 TYR HA H 97 4.717 4.717 4.550 0.167 18431 3162 1 7 . 1 1 97 97 TYR CA C 97 58.312 58.312 59.444 -1.132 18431 3163 1 7 . 1 1 97 97 TYR CB C 97 40.223 40.223 39.821 0.402 18431 3164 1 7 . 1 1 97 97 TYR H H 97 8.438 8.438 8.220 0.218 18431 3165 1 7 . 1 1 98 98 GLY N N 98 109.735 109.735 105.081 4.654 18431 3166 1 7 . 1 1 98 98 GLY CA C 98 45.908 45.908 44.992 0.916 18431 3167 1 7 . 1 1 98 98 GLY H H 98 8.014 8.014 8.051 -0.037 18431 3168 1 7 . 1 1 99 99 SER N N 99 114.137 114.137 114.414 -0.277 18431 3169 1 7 . 1 1 99 99 SER HA H 99 4.642 4.642 4.769 -0.127 18431 3170 1 7 . 1 1 99 99 SER CA C 99 57.226 57.226 56.760 0.466 18431 3171 1 7 . 1 1 99 99 SER CB C 99 64.294 64.294 66.009 -1.715 18431 3172 1 7 . 1 1 99 99 SER H H 99 7.666 7.666 7.983 -0.317 18431 3173 1 7 . 1 1 100 100 THR N N 100 110.514 110.514 111.907 -1.393 18431 3174 1 7 . 1 1 100 100 THR HA H 100 4.424 4.424 4.481 -0.057 18431 3175 1 7 . 1 1 100 100 THR CA C 100 60.964 60.964 60.427 0.537 18431 3176 1 7 . 1 1 100 100 THR CB C 100 70.303 70.303 71.409 -1.106 18431 3177 1 7 . 1 1 100 100 THR H H 100 7.899 7.899 8.057 -0.158 18431 3178 1 7 . 1 1 101 101 LEU N N 101 124.047 124.047 121.531 2.516 18431 3179 1 7 . 1 1 101 101 LEU HA H 101 4.313 4.313 4.400 -0.087 18431 3180 1 7 . 1 1 101 101 LEU CA C 101 54.930 54.930 54.431 0.499 18431 3181 1 7 . 1 1 101 101 LEU CB C 101 42.501 42.501 42.926 -0.425 18431 3182 1 7 . 1 1 101 101 LEU H H 101 8.847 8.847 8.240 0.607 18431 3183 1 7 . 1 1 102 102 LYS N N 102 124.883 124.883 121.311 3.572 18431 3184 1 7 . 1 1 102 102 LYS HA H 102 4.415 4.415 4.343 0.072 18431 3185 1 7 . 1 1 102 102 LYS CA C 102 55.588 55.588 55.977 -0.389 18431 3186 1 7 . 1 1 102 102 LYS CB C 102 32.596 32.596 32.680 -0.084 18431 3187 1 7 . 1 1 102 102 LYS H H 102 8.578 8.578 8.331 0.247 18431 3188 1 7 . 1 1 103 103 VAL N N 103 122.753 122.753 128.314 -5.561 18431 3189 1 7 . 1 1 103 103 VAL HA H 103 4.237 4.237 4.424 -0.187 18431 3190 1 7 . 1 1 103 103 VAL CA C 103 61.956 61.956 61.657 0.298 18431 3191 1 7 . 1 1 103 103 VAL CB C 103 32.747 32.747 31.560 1.187 18431 3192 1 7 . 1 1 103 103 VAL H H 103 8.348 8.348 8.596 -0.248 18431 3193 1 8 . 1 1 9 9 ALA N N 9 123.345 123.345 125.055 -1.710 18431 3194 1 8 . 1 1 9 9 ALA HA H 9 4.549 4.549 4.361 0.188 18431 3195 1 8 . 1 1 9 9 ALA CA C 9 50.151 50.151 51.446 -1.295 18431 3196 1 8 . 1 1 9 9 ALA CB C 9 18.185 18.185 18.960 -0.775 18431 3197 1 8 . 1 1 9 9 ALA H H 9 7.992 7.992 8.374 -0.382 18431 3198 1 8 . 1 1 10 10 PRO HA H 10 4.299 4.299 4.217 0.082 18431 3199 1 8 . 1 1 10 10 PRO CA C 10 62.937 62.937 63.329 -0.392 18431 3200 1 8 . 1 1 10 10 PRO CB C 10 31.902 31.902 31.960 -0.058 18431 3201 1 8 . 1 1 11 11 ASN N N 11 117.877 117.877 113.536 4.341 18431 3202 1 8 . 1 1 11 11 ASN HA H 11 4.646 4.646 4.425 0.221 18431 3203 1 8 . 1 1 11 11 ASN CA C 11 53.077 53.077 53.624 -0.547 18431 3204 1 8 . 1 1 11 11 ASN CB C 11 38.590 38.590 37.251 1.339 18431 3205 1 8 . 1 1 11 11 ASN H H 11 8.467 8.467 8.673 -0.206 18431 3206 1 8 . 1 1 12 12 LEU N N 12 122.874 122.874 118.403 4.471 18431 3207 1 8 . 1 1 12 12 LEU HA H 12 4.290 4.290 4.771 -0.481 18431 3208 1 8 . 1 1 12 12 LEU CA C 12 55.170 55.170 56.516 -1.346 18431 3209 1 8 . 1 1 12 12 LEU CB C 12 42.131 42.131 42.731 -0.600 18431 3210 1 8 . 1 1 12 12 LEU H H 12 8.196 8.196 8.058 0.138 18431 3211 1 8 . 1 1 13 13 ALA N N 13 123.854 123.854 122.808 1.046 18431 3212 1 8 . 1 1 13 13 ALA HA H 13 4.243 4.243 4.683 -0.440 18431 3213 1 8 . 1 1 13 13 ALA CA C 13 52.672 52.672 51.377 1.295 18431 3214 1 8 . 1 1 13 13 ALA CB C 13 18.923 18.923 19.764 -0.841 18431 3215 1 8 . 1 1 13 13 ALA H H 13 8.214 8.214 7.800 0.414 18431 3216 1 8 . 1 1 14 14 GLY N N 14 107.993 107.993 104.363 3.630 18431 3217 1 8 . 1 1 14 14 GLY CA C 14 44.989 44.989 44.566 0.423 18431 3218 1 8 . 1 1 14 14 GLY H H 14 8.246 8.246 8.363 -0.117 18431 3219 1 8 . 1 1 15 15 ALA N N 15 123.594 123.594 120.533 3.061 18431 3220 1 8 . 1 1 15 15 ALA HA H 15 4.330 4.330 3.978 0.352 18431 3221 1 8 . 1 1 15 15 ALA CA C 15 52.147 52.147 52.139 0.008 18431 3222 1 8 . 1 1 15 15 ALA CB C 15 18.941 18.941 17.213 1.728 18431 3223 1 8 . 1 1 15 15 ALA H H 15 8.017 8.017 7.677 0.340 18431 3224 1 8 . 1 1 16 16 VAL N N 16 119.010 119.010 112.257 6.753 18431 3225 1 8 . 1 1 16 16 VAL HA H 16 4.036 4.036 3.985 0.051 18431 3226 1 8 . 1 1 16 16 VAL CA C 16 62.127 62.127 64.513 -2.386 18431 3227 1 8 . 1 1 16 16 VAL CB C 16 32.727 32.727 31.671 1.056 18431 3228 1 8 . 1 1 16 16 VAL H H 16 8.060 8.060 8.100 -0.040 18431 3229 1 8 . 1 1 17 17 GLU N N 17 124.211 124.211 119.970 4.241 18431 3230 1 8 . 1 1 17 17 GLU HA H 17 4.429 4.429 4.318 0.111 18431 3231 1 8 . 1 1 17 17 GLU CA C 17 57.429 57.429 55.679 1.750 18431 3232 1 8 . 1 1 17 17 GLU CB C 17 29.421 29.421 28.493 0.928 18431 3233 1 8 . 1 1 17 17 GLU H H 17 8.436 8.436 8.124 0.312 18431 3234 1 8 . 1 1 18 18 PHE HA H 18 4.291 4.291 4.252 0.039 18431 3235 1 8 . 1 1 18 18 PHE CA C 18 60.955 60.955 60.345 0.610 18431 3236 1 8 . 1 1 18 18 PHE CB C 18 38.464 38.464 39.470 -1.006 18431 3237 1 8 . 1 1 19 19 SER N N 19 112.147 112.147 113.875 -1.728 18431 3238 1 8 . 1 1 19 19 SER HA H 19 3.659 3.659 3.902 -0.243 18431 3239 1 8 . 1 1 19 19 SER CA C 19 61.576 61.576 61.644 -0.068 18431 3240 1 8 . 1 1 19 19 SER CB C 19 61.649 61.649 62.663 -1.014 18431 3241 1 8 . 1 1 19 19 SER H H 19 8.871 8.871 8.292 0.579 18431 3242 1 8 . 1 1 20 20 ASP N N 20 120.916 120.916 122.857 -1.941 18431 3243 1 8 . 1 1 20 20 ASP HA H 20 4.492 4.492 4.484 0.008 18431 3244 1 8 . 1 1 20 20 ASP CA C 20 56.696 56.696 57.024 -0.328 18431 3245 1 8 . 1 1 20 20 ASP CB C 20 40.543 40.543 40.633 -0.090 18431 3246 1 8 . 1 1 20 20 ASP H H 20 7.019 7.019 7.609 -0.590 18431 3247 1 8 . 1 1 21 21 VAL HA H 21 3.224 3.224 3.628 -0.404 18431 3248 1 8 . 1 1 21 21 VAL CA C 21 66.801 66.801 65.473 1.328 18431 3249 1 8 . 1 1 21 21 VAL CB C 21 31.741 31.741 31.696 0.045 18431 3250 1 8 . 1 1 22 22 LYS HA H 22 3.435 3.435 3.937 -0.502 18431 3251 1 8 . 1 1 22 22 LYS CA C 22 60.282 60.282 59.690 0.592 18431 3252 1 8 . 1 1 22 22 LYS CB C 22 31.283 31.283 31.761 -0.478 18431 3253 1 8 . 1 1 23 23 THR N N 23 116.224 116.224 115.974 0.250 18431 3254 1 8 . 1 1 23 23 THR HA H 23 3.796 3.796 4.181 -0.385 18431 3255 1 8 . 1 1 23 23 THR CA C 23 66.591 66.591 66.223 0.368 18431 3256 1 8 . 1 1 23 23 THR CB C 23 68.361 68.361 68.946 -0.585 18431 3257 1 8 . 1 1 23 23 THR H H 23 7.391 7.391 7.465 -0.074 18431 3258 1 8 . 1 1 24 24 LEU HA H 24 4.022 4.022 4.282 -0.260 18431 3259 1 8 . 1 1 24 24 LEU CA C 24 57.911 57.911 57.673 0.238 18431 3260 1 8 . 1 1 24 24 LEU CB C 24 42.110 42.110 41.956 0.154 18431 3261 1 8 . 1 1 24 24 LEU H H 24 7.699 7.699 7.780 -0.081 18431 3262 1 8 . 1 1 25 25 LEU N N 25 118.389 118.389 120.034 -1.645 18431 3263 1 8 . 1 1 25 25 LEU HA H 25 4.135 4.135 4.210 -0.075 18431 3264 1 8 . 1 1 25 25 LEU CA C 25 57.864 57.864 58.313 -0.449 18431 3265 1 8 . 1 1 25 25 LEU CB C 25 42.653 42.653 41.858 0.795 18431 3266 1 8 . 1 1 25 25 LEU H H 25 8.331 8.331 7.956 0.375 18431 3267 1 8 . 1 1 26 26 LYS N N 26 118.433 118.433 118.193 0.240 18431 3268 1 8 . 1 1 26 26 LYS HA H 26 3.833 3.833 3.910 -0.077 18431 3269 1 8 . 1 1 26 26 LYS CA C 26 60.095 60.095 59.501 0.594 18431 3270 1 8 . 1 1 26 26 LYS CB C 26 31.623 31.623 32.128 -0.505 18431 3271 1 8 . 1 1 26 26 LYS H H 26 8.464 8.464 7.696 0.768 18431 3272 1 8 . 1 1 27 27 GLU N N 27 120.838 120.838 119.873 0.965 18431 3273 1 8 . 1 1 27 27 GLU HA H 27 3.945 3.945 4.257 -0.312 18431 3274 1 8 . 1 1 27 27 GLU CA C 27 59.509 59.509 58.742 0.767 18431 3275 1 8 . 1 1 27 27 GLU CB C 27 29.199 29.199 29.771 -0.572 18431 3276 1 8 . 1 1 27 27 GLU H H 27 8.246 8.246 7.896 0.350 18431 3277 1 8 . 1 1 28 28 TRP N N 28 122.200 122.200 121.740 0.460 18431 3278 1 8 . 1 1 28 28 TRP HA H 28 4.597 4.597 4.613 -0.016 18431 3279 1 8 . 1 1 28 28 TRP CA C 28 59.443 59.443 60.781 -1.338 18431 3280 1 8 . 1 1 28 28 TRP CB C 28 29.083 29.083 29.574 -0.491 18431 3281 1 8 . 1 1 28 28 TRP H H 28 8.143 8.143 8.169 -0.026 18431 3282 1 8 . 1 1 29 29 ILE N N 29 114.954 114.954 116.952 -1.998 18431 3283 1 8 . 1 1 29 29 ILE HA H 29 2.742 2.742 3.560 -0.818 18431 3284 1 8 . 1 1 29 29 ILE CA C 29 62.759 62.759 62.833 -0.074 18431 3285 1 8 . 1 1 29 29 ILE CB C 29 37.992 37.992 38.061 -0.069 18431 3286 1 8 . 1 1 29 29 ILE H H 29 7.999 7.999 7.455 0.544 18431 3287 1 8 . 1 1 30 30 THR N N 30 106.869 106.869 113.078 -6.209 18431 3288 1 8 . 1 1 30 30 THR HA H 30 4.117 4.117 4.181 -0.064 18431 3289 1 8 . 1 1 30 30 THR CA C 30 63.447 63.447 64.822 -1.375 18431 3290 1 8 . 1 1 30 30 THR CB C 30 70.045 70.045 68.930 1.115 18431 3291 1 8 . 1 1 30 30 THR H H 30 7.622 7.622 7.575 0.047 18431 3292 1 8 . 1 1 31 31 THR N N 31 111.890 111.890 115.311 -3.421 18431 3293 1 8 . 1 1 31 31 THR HA H 31 4.503 4.503 4.094 0.409 18431 3294 1 8 . 1 1 31 31 THR CA C 31 63.231 63.231 64.606 -1.375 18431 3295 1 8 . 1 1 31 31 THR CB C 31 70.556 70.556 69.212 1.344 18431 3296 1 8 . 1 1 31 31 THR H H 31 7.588 7.588 8.125 -0.537 18431 3297 1 8 . 1 1 32 32 ILE N N 32 123.663 123.663 122.186 1.477 18431 3298 1 8 . 1 1 32 32 ILE HA H 32 4.499 4.499 4.307 0.192 18431 3299 1 8 . 1 1 32 32 ILE CA C 32 59.426 59.426 59.419 0.007 18431 3300 1 8 . 1 1 32 32 ILE CB C 32 37.378 37.378 38.326 -0.948 18431 3301 1 8 . 1 1 32 32 ILE H H 32 7.929 7.929 7.485 0.444 18431 3302 1 8 . 1 1 33 33 SER N N 33 119.544 119.544 117.288 2.256 18431 3303 1 8 . 1 1 33 33 SER HA H 33 4.523 4.523 4.742 -0.219 18431 3304 1 8 . 1 1 33 33 SER CA C 33 59.189 59.189 58.782 0.407 18431 3305 1 8 . 1 1 33 33 SER CB C 33 63.838 63.838 65.402 -1.564 18431 3306 1 8 . 1 1 33 33 SER H H 33 8.418 8.418 8.709 -0.291 18431 3307 1 8 . 1 1 34 34 ASP HA H 34 4.821 4.821 4.885 -0.064 18431 3308 1 8 . 1 1 34 34 ASP CA C 34 51.168 51.168 51.926 -0.758 18431 3309 1 8 . 1 1 34 34 ASP CB C 34 41.139 41.139 41.463 -0.324 18431 3310 1 8 . 1 1 34 34 ASP H H 34 7.730 7.730 7.850 -0.120 18431 3311 1 8 . 1 1 35 35 PRO HA H 35 4.167 4.167 4.469 -0.302 18431 3312 1 8 . 1 1 35 35 PRO CA C 35 62.085 62.085 62.754 -0.669 18431 3313 1 8 . 1 1 35 35 PRO CB C 35 31.767 31.767 32.895 -1.128 18431 3314 1 8 . 1 1 36 36 MET N N 36 121.309 121.309 117.226 4.083 18431 3315 1 8 . 1 1 36 36 MET HA H 36 4.565 4.565 4.792 -0.227 18431 3316 1 8 . 1 1 36 36 MET CA C 36 53.867 53.867 53.113 0.754 18431 3317 1 8 . 1 1 36 36 MET CB C 36 32.411 32.411 35.169 -2.758 18431 3318 1 8 . 1 1 36 36 MET H H 36 9.165 9.165 8.364 0.801 18431 3319 1 8 . 1 1 37 37 GLU N N 37 125.284 125.284 120.204 5.080 18431 3320 1 8 . 1 1 37 37 GLU HA H 37 3.744 3.744 3.876 -0.132 18431 3321 1 8 . 1 1 37 37 GLU CA C 37 60.307 60.307 59.798 0.509 18431 3322 1 8 . 1 1 37 37 GLU CB C 37 29.448 29.448 28.957 0.491 18431 3323 1 8 . 1 1 37 37 GLU H H 37 9.034 9.034 8.880 0.154 18431 3324 1 8 . 1 1 38 38 GLU N N 38 116.000 116.000 118.096 -2.096 18431 3325 1 8 . 1 1 38 38 GLU HA H 38 4.003 4.003 4.019 -0.016 18431 3326 1 8 . 1 1 38 38 GLU CA C 38 59.588 59.588 59.141 0.447 18431 3327 1 8 . 1 1 38 38 GLU CB C 38 29.280 29.280 28.807 0.473 18431 3328 1 8 . 1 1 38 38 GLU H H 38 9.356 9.356 8.850 0.506 18431 3329 1 8 . 1 1 39 39 ASP N N 39 118.974 118.974 120.685 -1.711 18431 3330 1 8 . 1 1 39 39 ASP HA H 39 4.493 4.493 4.349 0.143 18431 3331 1 8 . 1 1 39 39 ASP CA C 39 57.231 57.231 57.539 -0.308 18431 3332 1 8 . 1 1 39 39 ASP CB C 39 41.226 41.226 40.401 0.825 18431 3333 1 8 . 1 1 39 39 ASP H H 39 7.169 7.169 8.019 -0.850 18431 3334 1 8 . 1 1 40 40 ILE N N 40 120.269 120.269 119.029 1.240 18431 3335 1 8 . 1 1 40 40 ILE HA H 40 3.845 3.845 3.945 -0.100 18431 3336 1 8 . 1 1 40 40 ILE CA C 40 65.345 65.345 64.675 0.670 18431 3337 1 8 . 1 1 40 40 ILE CB C 40 37.500 37.500 38.021 -0.521 18431 3338 1 8 . 1 1 40 40 ILE H H 40 7.766 7.766 7.266 0.500 18431 3339 1 8 . 1 1 41 41 LEU N N 41 118.715 118.715 119.921 -1.206 18431 3340 1 8 . 1 1 41 41 LEU HA H 41 4.131 4.131 4.049 0.082 18431 3341 1 8 . 1 1 41 41 LEU CA C 41 57.835 57.835 57.394 0.441 18431 3342 1 8 . 1 1 41 41 LEU CB C 41 40.819 40.819 41.245 -0.426 18431 3343 1 8 . 1 1 41 41 LEU H H 41 8.726 8.726 7.930 0.796 18431 3344 1 8 . 1 1 42 42 GLN N N 42 119.539 119.539 118.659 0.880 18431 3345 1 8 . 1 1 42 42 GLN HA H 42 4.177 4.177 4.062 0.115 18431 3346 1 8 . 1 1 42 42 GLN CA C 42 59.241 59.241 58.793 0.448 18431 3347 1 8 . 1 1 42 42 GLN CB C 42 28.518 28.518 28.534 -0.016 18431 3348 1 8 . 1 1 42 42 GLN H H 42 7.768 7.768 8.336 -0.568 18431 3349 1 8 . 1 1 43 43 VAL N N 43 121.194 121.194 115.155 6.039 18431 3350 1 8 . 1 1 43 43 VAL HA H 43 3.787 3.787 3.771 0.016 18431 3351 1 8 . 1 1 43 43 VAL CA C 43 66.760 66.760 66.044 0.716 18431 3352 1 8 . 1 1 43 43 VAL CB C 43 31.423 31.423 31.211 0.212 18431 3353 1 8 . 1 1 43 43 VAL H H 43 7.712 7.712 7.466 0.246 18431 3354 1 8 . 1 1 44 44 VAL N N 44 120.876 120.876 119.837 1.039 18431 3355 1 8 . 1 1 44 44 VAL HA H 44 3.422 3.422 3.815 -0.393 18431 3356 1 8 . 1 1 44 44 VAL CA C 44 67.910 67.910 65.711 2.199 18431 3357 1 8 . 1 1 44 44 VAL CB C 44 31.392 31.392 31.441 -0.049 18431 3358 1 8 . 1 1 44 44 VAL H H 44 8.232 8.232 7.461 0.771 18431 3359 1 8 . 1 1 45 45 ARG N N 45 120.934 120.934 119.897 1.037 18431 3360 1 8 . 1 1 45 45 ARG HA H 45 4.148 4.148 4.120 0.028 18431 3361 1 8 . 1 1 45 45 ARG CA C 45 58.593 58.593 58.481 0.112 18431 3362 1 8 . 1 1 45 45 ARG CB C 45 29.608 29.608 29.459 0.149 18431 3363 1 8 . 1 1 45 45 ARG H H 45 8.489 8.489 7.716 0.773 18431 3364 1 8 . 1 1 46 46 TYR N N 46 120.548 120.548 122.200 -1.652 18431 3365 1 8 . 1 1 46 46 TYR HA H 46 4.547 4.547 4.344 0.203 18431 3366 1 8 . 1 1 46 46 TYR CA C 46 60.926 60.926 60.742 0.184 18431 3367 1 8 . 1 1 46 46 TYR CB C 46 38.447 38.447 38.129 0.318 18431 3368 1 8 . 1 1 46 46 TYR H H 46 7.870 7.870 7.639 0.231 18431 3369 1 8 . 1 1 47 47 CYS N N 47 115.132 115.132 116.667 -1.535 18431 3370 1 8 . 1 1 47 47 CYS HA H 47 3.738 3.738 3.752 -0.014 18431 3371 1 8 . 1 1 47 47 CYS CA C 47 64.313 64.313 63.053 1.260 18431 3372 1 8 . 1 1 47 47 CYS CB C 47 27.744 27.744 26.379 1.365 18431 3373 1 8 . 1 1 47 47 CYS H H 47 8.109 8.109 7.885 0.224 18431 3374 1 8 . 1 1 48 48 THR N N 48 114.153 114.153 116.525 -2.372 18431 3375 1 8 . 1 1 48 48 THR HA H 48 3.877 3.877 4.043 -0.166 18431 3376 1 8 . 1 1 48 48 THR CA C 48 66.755 66.755 67.692 -0.937 18431 3377 1 8 . 1 1 48 48 THR CB C 48 67.593 67.593 68.559 -0.966 18431 3378 1 8 . 1 1 48 48 THR H H 48 8.776 8.776 7.629 1.147 18431 3379 1 8 . 1 1 49 49 ASP N N 49 126.528 126.528 121.907 4.621 18431 3380 1 8 . 1 1 49 49 ASP HA H 49 4.425 4.425 4.428 -0.003 18431 3381 1 8 . 1 1 49 49 ASP CA C 49 57.688 57.688 56.688 1.000 18431 3382 1 8 . 1 1 49 49 ASP CB C 49 39.249 39.249 40.750 -1.501 18431 3383 1 8 . 1 1 49 49 ASP H H 49 8.697 8.697 7.740 0.957 18431 3384 1 8 . 1 1 50 50 LEU HA H 50 3.924 3.924 3.980 -0.056 18431 3385 1 8 . 1 1 50 50 LEU CA C 50 58.157 58.157 57.887 0.270 18431 3386 1 8 . 1 1 50 50 LEU CB C 50 41.408 41.408 41.944 -0.536 18431 3387 1 8 . 1 1 51 51 ILE N N 51 118.832 118.832 118.046 0.786 18431 3388 1 8 . 1 1 51 51 ILE HA H 51 3.417 3.417 3.714 -0.297 18431 3389 1 8 . 1 1 51 51 ILE CA C 51 66.261 66.261 65.012 1.249 18431 3390 1 8 . 1 1 51 51 ILE CB C 51 37.691 37.691 37.332 0.359 18431 3391 1 8 . 1 1 51 51 ILE H H 51 7.639 7.639 7.444 0.195 18431 3392 1 8 . 1 1 52 52 GLU N N 52 123.247 123.247 119.377 3.870 18431 3393 1 8 . 1 1 52 52 GLU HA H 52 4.001 4.001 4.165 -0.164 18431 3394 1 8 . 1 1 52 52 GLU CA C 52 59.592 59.592 58.714 0.878 18431 3395 1 8 . 1 1 52 52 GLU CB C 52 29.068 29.068 29.267 -0.199 18431 3396 1 8 . 1 1 52 52 GLU H H 52 8.506 8.506 7.886 0.620 18431 3397 1 8 . 1 1 53 53 GLU N N 53 116.384 116.384 116.206 0.178 18431 3398 1 8 . 1 1 53 53 GLU HA H 53 4.294 4.294 4.459 -0.165 18431 3399 1 8 . 1 1 53 53 GLU CA C 53 55.907 55.907 55.787 0.120 18431 3400 1 8 . 1 1 53 53 GLU CB C 53 29.710 29.710 29.678 0.032 18431 3401 1 8 . 1 1 53 53 GLU H H 53 7.716 7.716 7.743 -0.027 18431 3402 1 8 . 1 1 54 54 LYS N N 54 116.934 116.934 114.523 2.411 18431 3403 1 8 . 1 1 54 54 LYS HA H 54 3.662 3.662 3.947 -0.285 18431 3404 1 8 . 1 1 54 54 LYS CA C 54 57.278 57.278 57.914 -0.636 18431 3405 1 8 . 1 1 54 54 LYS CB C 54 29.785 29.785 30.102 -0.317 18431 3406 1 8 . 1 1 54 54 LYS H H 54 8.089 8.089 7.530 0.559 18431 3407 1 8 . 1 1 55 55 ASP N N 55 122.549 122.549 119.104 3.445 18431 3408 1 8 . 1 1 55 55 ASP HA H 55 5.058 5.058 4.780 0.278 18431 3409 1 8 . 1 1 55 55 ASP CA C 55 51.306 51.306 53.335 -2.029 18431 3410 1 8 . 1 1 55 55 ASP CB C 55 38.856 38.856 40.469 -1.613 18431 3411 1 8 . 1 1 55 55 ASP H H 55 8.497 8.497 8.332 0.165 18431 3412 1 8 . 1 1 56 56 LEU N N 56 119.627 119.627 117.528 2.099 18431 3413 1 8 . 1 1 56 56 LEU HA H 56 3.901 3.901 4.259 -0.358 18431 3414 1 8 . 1 1 56 56 LEU CA C 56 56.528 56.528 55.502 1.026 18431 3415 1 8 . 1 1 56 56 LEU CB C 56 40.034 40.034 40.327 -0.293 18431 3416 1 8 . 1 1 56 56 LEU H H 56 7.578 7.578 7.974 -0.396 18431 3417 1 8 . 1 1 57 57 GLU N N 57 121.433 121.433 120.487 0.946 18431 3418 1 8 . 1 1 57 57 GLU HA H 57 4.041 4.041 3.848 0.193 18431 3419 1 8 . 1 1 57 57 GLU CA C 57 59.321 59.321 59.605 -0.284 18431 3420 1 8 . 1 1 57 57 GLU CB C 57 29.229 29.229 28.962 0.267 18431 3421 1 8 . 1 1 57 57 GLU H H 57 8.614 8.614 8.341 0.273 18431 3422 1 8 . 1 1 58 58 LYS N N 58 119.832 119.832 117.815 2.017 18431 3423 1 8 . 1 1 58 58 LYS HA H 58 3.760 3.760 3.812 -0.052 18431 3424 1 8 . 1 1 58 58 LYS CA C 58 59.273 59.273 59.030 0.243 18431 3425 1 8 . 1 1 58 58 LYS CB C 58 32.370 32.370 32.400 -0.030 18431 3426 1 8 . 1 1 58 58 LYS H H 58 7.527 7.527 7.377 0.150 18431 3427 1 8 . 1 1 59 59 LEU N N 59 117.844 117.844 119.899 -2.055 18431 3428 1 8 . 1 1 59 59 LEU HA H 59 3.912 3.912 4.010 -0.098 18431 3429 1 8 . 1 1 59 59 LEU CA C 59 57.865 57.865 57.748 0.117 18431 3430 1 8 . 1 1 59 59 LEU CB C 59 41.382 41.382 41.254 0.128 18431 3431 1 8 . 1 1 59 59 LEU H H 59 7.570 7.570 7.520 0.050 18431 3432 1 8 . 1 1 60 60 ASP N N 60 117.630 117.630 119.424 -1.794 18431 3433 1 8 . 1 1 60 60 ASP HA H 60 4.273 4.273 4.308 -0.035 18431 3434 1 8 . 1 1 60 60 ASP CA C 60 57.695 57.695 57.304 0.391 18431 3435 1 8 . 1 1 60 60 ASP CB C 60 42.074 42.074 40.880 1.194 18431 3436 1 8 . 1 1 60 60 ASP H H 60 7.849 7.849 7.854 -0.005 18431 3437 1 8 . 1 1 61 61 LEU N N 61 116.500 116.500 118.960 -2.460 18431 3438 1 8 . 1 1 61 61 LEU HA H 61 3.924 3.924 4.158 -0.234 18431 3439 1 8 . 1 1 61 61 LEU CA C 61 57.886 57.886 57.029 0.858 18431 3440 1 8 . 1 1 61 61 LEU CB C 61 41.825 41.825 41.763 0.062 18431 3441 1 8 . 1 1 61 61 LEU H H 61 7.484 7.484 7.430 0.054 18431 3442 1 8 . 1 1 62 62 VAL N N 62 120.681 120.681 119.679 1.002 18431 3443 1 8 . 1 1 62 62 VAL HA H 62 3.963 3.963 3.932 0.031 18431 3444 1 8 . 1 1 62 62 VAL CA C 62 66.843 66.843 66.241 0.602 18431 3445 1 8 . 1 1 62 62 VAL CB C 62 31.954 31.954 30.862 1.092 18431 3446 1 8 . 1 1 62 62 VAL H H 62 8.682 8.682 7.384 1.298 18431 3447 1 8 . 1 1 63 63 ILE N N 63 122.448 122.448 117.970 4.478 18431 3448 1 8 . 1 1 63 63 ILE HA H 63 3.995 3.995 3.821 0.174 18431 3449 1 8 . 1 1 63 63 ILE CA C 63 63.777 63.777 64.497 -0.720 18431 3450 1 8 . 1 1 63 63 ILE CB C 63 35.707 35.707 36.423 -0.716 18431 3451 1 8 . 1 1 63 63 ILE H H 63 8.824 8.824 7.942 0.882 18431 3452 1 8 . 1 1 64 64 LYS N N 64 118.898 118.898 118.911 -0.013 18431 3453 1 8 . 1 1 64 64 LYS HA H 64 3.889 3.889 4.174 -0.285 18431 3454 1 8 . 1 1 64 64 LYS CA C 64 60.416 60.416 59.113 1.303 18431 3455 1 8 . 1 1 64 64 LYS CB C 64 32.563 32.563 31.951 0.612 18431 3456 1 8 . 1 1 64 64 LYS H H 64 8.368 8.368 7.698 0.670 18431 3457 1 8 . 1 1 65 65 TYR N N 65 121.217 121.217 121.533 -0.316 18431 3458 1 8 . 1 1 65 65 TYR HA H 65 4.330 4.330 4.377 -0.047 18431 3459 1 8 . 1 1 65 65 TYR CA C 65 61.779 61.779 60.933 0.846 18431 3460 1 8 . 1 1 65 65 TYR CB C 65 38.898 38.898 38.752 0.146 18431 3461 1 8 . 1 1 65 65 TYR H H 65 8.200 8.200 7.462 0.738 18431 3462 1 8 . 1 1 66 66 MET N N 66 116.741 116.741 118.653 -1.912 18431 3463 1 8 . 1 1 66 66 MET HA H 66 3.682 3.682 3.998 -0.316 18431 3464 1 8 . 1 1 66 66 MET CA C 66 60.444 60.444 59.418 1.026 18431 3465 1 8 . 1 1 66 66 MET CB C 66 33.627 33.627 33.327 0.300 18431 3466 1 8 . 1 1 66 66 MET H H 66 8.681 8.681 8.936 -0.255 18431 3467 1 8 . 1 1 67 67 LYS N N 67 119.826 119.826 117.855 1.971 18431 3468 1 8 . 1 1 67 67 LYS HA H 67 2.637 2.637 2.921 -0.284 18431 3469 1 8 . 1 1 67 67 LYS CA C 67 59.949 59.949 59.076 0.873 18431 3470 1 8 . 1 1 67 67 LYS CB C 67 32.596 32.596 31.729 0.867 18431 3471 1 8 . 1 1 67 67 LYS H H 67 8.563 8.563 8.251 0.312 18431 3472 1 8 . 1 1 68 68 ARG N N 68 116.343 116.343 117.933 -1.590 18431 3473 1 8 . 1 1 68 68 ARG HA H 68 3.859 3.859 4.087 -0.228 18431 3474 1 8 . 1 1 68 68 ARG CA C 68 58.254 58.254 58.288 -0.034 18431 3475 1 8 . 1 1 68 68 ARG CB C 68 29.605 29.605 29.685 -0.080 18431 3476 1 8 . 1 1 68 68 ARG H H 68 7.117 7.117 7.503 -0.386 18431 3477 1 8 . 1 1 69 69 LEU N N 69 116.573 116.573 121.048 -4.475 18431 3478 1 8 . 1 1 69 69 LEU HA H 69 3.847 3.847 4.076 -0.229 18431 3479 1 8 . 1 1 69 69 LEU CA C 69 56.861 56.861 57.038 -0.177 18431 3480 1 8 . 1 1 69 69 LEU CB C 69 42.950 42.950 42.048 0.902 18431 3481 1 8 . 1 1 69 69 LEU H H 69 7.360 7.360 6.984 0.376 18431 3482 1 8 . 1 1 70 70 MET N N 70 115.874 115.874 116.488 -0.614 18431 3483 1 8 . 1 1 70 70 MET HA H 70 3.823 3.823 3.730 0.093 18431 3484 1 8 . 1 1 70 70 MET CA C 70 59.195 59.195 58.622 0.573 18431 3485 1 8 . 1 1 70 70 MET CB C 70 32.315 32.315 32.038 0.277 18431 3486 1 8 . 1 1 70 70 MET H H 70 8.769 8.769 8.338 0.431 18431 3487 1 8 . 1 1 71 71 GLN N N 71 114.286 114.286 117.697 -3.411 18431 3488 1 8 . 1 1 71 71 GLN HA H 71 4.416 4.416 3.954 0.462 18431 3489 1 8 . 1 1 71 71 GLN CA C 71 56.527 56.527 58.578 -2.051 18431 3490 1 8 . 1 1 71 71 GLN CB C 71 27.446 27.446 28.194 -0.748 18431 3491 1 8 . 1 1 71 71 GLN H H 71 7.522 7.522 7.568 -0.046 18431 3492 1 8 . 1 1 72 72 GLN N N 72 117.645 117.645 116.084 1.561 18431 3493 1 8 . 1 1 72 72 GLN HA H 72 4.198 4.198 4.062 0.136 18431 3494 1 8 . 1 1 72 72 GLN CA C 72 56.549 56.549 56.629 -0.080 18431 3495 1 8 . 1 1 72 72 GLN CB C 72 28.824 28.824 28.417 0.407 18431 3496 1 8 . 1 1 72 72 GLN H H 72 7.279 7.279 7.550 -0.271 18431 3497 1 8 . 1 1 73 73 SER N N 73 113.600 113.600 115.545 -1.945 18431 3498 1 8 . 1 1 73 73 SER HA H 73 4.504 4.504 4.422 0.082 18431 3499 1 8 . 1 1 73 73 SER CA C 73 57.600 57.600 58.305 -0.705 18431 3500 1 8 . 1 1 73 73 SER CB C 73 63.542 63.542 64.594 -1.052 18431 3501 1 8 . 1 1 73 73 SER H H 73 7.588 7.588 7.363 0.225 18431 3502 1 8 . 1 1 74 74 VAL N N 74 121.652 121.652 117.071 4.581 18431 3503 1 8 . 1 1 74 74 VAL HA H 74 4.136 4.136 4.221 -0.085 18431 3504 1 8 . 1 1 74 74 VAL CA C 74 62.985 62.985 62.814 0.171 18431 3505 1 8 . 1 1 74 74 VAL CB C 74 31.797 31.797 32.390 -0.593 18431 3506 1 8 . 1 1 74 74 VAL H H 74 8.300 8.300 8.052 0.248 18431 3507 1 8 . 1 1 75 75 GLU N N 75 120.481 120.481 122.689 -2.208 18431 3508 1 8 . 1 1 75 75 GLU HA H 75 4.415 4.415 4.365 0.050 18431 3509 1 8 . 1 1 75 75 GLU CA C 75 56.061 56.061 56.823 -0.762 18431 3510 1 8 . 1 1 75 75 GLU CB C 75 29.153 29.153 29.598 -0.445 18431 3511 1 8 . 1 1 75 75 GLU H H 75 8.486 8.486 8.414 0.072 18431 3512 1 8 . 1 1 76 76 SER HA H 76 4.498 4.498 4.186 0.312 18431 3513 1 8 . 1 1 76 76 SER CA C 76 59.426 59.426 61.215 -1.789 18431 3514 1 8 . 1 1 76 76 SER CB C 76 64.071 64.071 63.329 0.742 18431 3515 1 8 . 1 1 76 76 SER H H 76 8.142 8.142 8.862 -0.720 18431 3516 1 8 . 1 1 77 77 VAL N N 77 122.712 122.712 121.024 1.688 18431 3517 1 8 . 1 1 77 77 VAL HA H 77 4.036 4.036 3.740 0.296 18431 3518 1 8 . 1 1 77 77 VAL CA C 77 64.600 64.600 65.326 -0.726 18431 3519 1 8 . 1 1 77 77 VAL CB C 77 30.843 30.843 31.471 -0.628 18431 3520 1 8 . 1 1 77 77 VAL H H 77 8.750 8.750 7.891 0.859 18431 3521 1 8 . 1 1 78 78 TRP N N 78 121.247 121.247 119.932 1.315 18431 3522 1 8 . 1 1 78 78 TRP HA H 78 4.507 4.507 4.348 0.159 18431 3523 1 8 . 1 1 78 78 TRP CA C 78 59.753 59.753 60.747 -0.994 18431 3524 1 8 . 1 1 78 78 TRP CB C 78 29.332 29.332 29.491 -0.159 18431 3525 1 8 . 1 1 78 78 TRP H H 78 7.837 7.837 7.609 0.228 18431 3526 1 8 . 1 1 79 79 ASN N N 79 119.032 119.032 117.397 1.635 18431 3527 1 8 . 1 1 79 79 ASN HA H 79 4.382 4.382 4.559 -0.177 18431 3528 1 8 . 1 1 79 79 ASN CA C 79 57.406 57.406 56.818 0.588 18431 3529 1 8 . 1 1 79 79 ASN CB C 79 38.813 38.813 38.423 0.390 18431 3530 1 8 . 1 1 79 79 ASN H H 79 7.856 7.856 7.984 -0.128 18431 3531 1 8 . 1 1 80 80 MET N N 80 117.280 117.280 117.818 -0.538 18431 3532 1 8 . 1 1 80 80 MET HA H 80 4.383 4.383 4.433 -0.050 18431 3533 1 8 . 1 1 80 80 MET CA C 80 58.111 58.111 57.976 0.135 18431 3534 1 8 . 1 1 80 80 MET CB C 80 32.350 32.350 31.951 0.399 18431 3535 1 8 . 1 1 80 80 MET H H 80 7.765 7.765 8.548 -0.783 18431 3536 1 8 . 1 1 81 81 ALA N N 81 123.582 123.582 122.693 0.889 18431 3537 1 8 . 1 1 81 81 ALA HA H 81 4.220 4.220 4.200 0.020 18431 3538 1 8 . 1 1 81 81 ALA CA C 81 54.997 54.997 55.000 -0.003 18431 3539 1 8 . 1 1 81 81 ALA CB C 81 17.615 17.615 18.020 -0.405 18431 3540 1 8 . 1 1 81 81 ALA H H 81 8.019 8.019 7.710 0.309 18431 3541 1 8 . 1 1 82 82 PHE N N 82 117.853 117.853 120.344 -2.491 18431 3542 1 8 . 1 1 82 82 PHE HA H 82 4.201 4.201 4.305 -0.104 18431 3543 1 8 . 1 1 82 82 PHE CA C 82 62.679 62.679 60.446 2.233 18431 3544 1 8 . 1 1 82 82 PHE CB C 82 38.078 38.078 39.058 -0.980 18431 3545 1 8 . 1 1 82 82 PHE H H 82 8.455 8.455 8.769 -0.314 18431 3546 1 8 . 1 1 83 83 ASP N N 83 118.244 118.244 118.952 -0.708 18431 3547 1 8 . 1 1 83 83 ASP HA H 83 4.250 4.250 3.934 0.316 18431 3548 1 8 . 1 1 83 83 ASP CA C 83 57.602 57.602 57.385 0.217 18431 3549 1 8 . 1 1 83 83 ASP CB C 83 40.117 40.117 40.285 -0.168 18431 3550 1 8 . 1 1 83 83 ASP H H 83 7.615 7.615 8.056 -0.441 18431 3551 1 8 . 1 1 84 84 PHE N N 84 120.090 120.090 120.857 -0.767 18431 3552 1 8 . 1 1 84 84 PHE HA H 84 4.319 4.319 4.246 0.073 18431 3553 1 8 . 1 1 84 84 PHE CA C 84 61.110 61.110 61.331 -0.221 18431 3554 1 8 . 1 1 84 84 PHE CB C 84 39.225 39.225 39.435 -0.210 18431 3555 1 8 . 1 1 84 84 PHE H H 84 7.849 7.849 7.334 0.515 18431 3556 1 8 . 1 1 85 85 ILE N N 85 122.915 122.915 120.300 2.615 18431 3557 1 8 . 1 1 85 85 ILE HA H 85 3.372 3.372 3.638 -0.266 18431 3558 1 8 . 1 1 85 85 ILE CA C 85 65.864 65.864 66.100 -0.236 18431 3559 1 8 . 1 1 85 85 ILE CB C 85 38.422 38.422 38.014 0.408 18431 3560 1 8 . 1 1 85 85 ILE H H 85 8.687 8.687 8.668 0.019 18431 3561 1 8 . 1 1 86 86 LEU N N 86 119.481 119.481 117.561 1.920 18431 3562 1 8 . 1 1 86 86 LEU HA H 86 3.715 3.715 3.886 -0.171 18431 3563 1 8 . 1 1 86 86 LEU CA C 86 57.875 57.875 58.362 -0.487 18431 3564 1 8 . 1 1 86 86 LEU CB C 86 40.602 40.602 40.652 -0.050 18431 3565 1 8 . 1 1 86 86 LEU H H 86 8.682 8.682 8.143 0.539 18431 3566 1 8 . 1 1 87 87 ASP N N 87 118.290 118.290 119.042 -0.752 18431 3567 1 8 . 1 1 87 87 ASP HA H 87 4.255 4.255 4.191 0.064 18431 3568 1 8 . 1 1 87 87 ASP CA C 87 57.604 57.604 57.256 0.348 18431 3569 1 8 . 1 1 87 87 ASP CB C 87 40.580 40.580 40.512 0.068 18431 3570 1 8 . 1 1 87 87 ASP H H 87 8.301 8.301 7.714 0.587 18431 3571 1 8 . 1 1 88 88 ASN N N 88 115.606 115.606 117.828 -2.222 18431 3572 1 8 . 1 1 88 88 ASN HA H 88 4.139 4.139 4.345 -0.206 18431 3573 1 8 . 1 1 88 88 ASN CA C 88 57.067 57.067 56.034 1.033 18431 3574 1 8 . 1 1 88 88 ASN CB C 88 39.734 39.734 38.888 0.847 18431 3575 1 8 . 1 1 88 88 ASN H H 88 7.421 7.421 7.946 -0.525 18431 3576 1 8 . 1 1 89 89 VAL N N 89 120.092 120.092 117.113 2.979 18431 3577 1 8 . 1 1 89 89 VAL HA H 89 3.421 3.421 3.932 -0.511 18431 3578 1 8 . 1 1 89 89 VAL CA C 89 66.777 66.777 65.745 1.032 18431 3579 1 8 . 1 1 89 89 VAL CB C 89 31.592 31.592 30.801 0.791 18431 3580 1 8 . 1 1 89 89 VAL H H 89 8.367 8.367 7.787 0.580 18431 3581 1 8 . 1 1 90 90 GLN N N 90 118.315 118.315 118.847 -0.532 18431 3582 1 8 . 1 1 90 90 GLN HA H 90 4.427 4.427 4.118 0.309 18431 3583 1 8 . 1 1 90 90 GLN CA C 90 58.918 58.918 58.527 0.391 18431 3584 1 8 . 1 1 90 90 GLN CB C 90 28.471 28.471 28.616 -0.145 18431 3585 1 8 . 1 1 90 90 GLN H H 90 8.780 8.780 8.196 0.584 18431 3586 1 8 . 1 1 91 91 VAL N N 91 118.757 118.757 120.384 -1.627 18431 3587 1 8 . 1 1 91 91 VAL HA H 91 3.720 3.720 3.707 0.013 18431 3588 1 8 . 1 1 91 91 VAL CA C 91 66.303 66.303 65.784 0.519 18431 3589 1 8 . 1 1 91 91 VAL CB C 91 31.641 31.641 31.478 0.163 18431 3590 1 8 . 1 1 91 91 VAL H H 91 7.640 7.640 7.938 -0.298 18431 3591 1 8 . 1 1 92 92 VAL N N 92 120.289 120.289 119.782 0.507 18431 3592 1 8 . 1 1 92 92 VAL HA H 92 3.728 3.728 3.674 0.054 18431 3593 1 8 . 1 1 92 92 VAL CA C 92 66.270 66.270 66.415 -0.145 18431 3594 1 8 . 1 1 92 92 VAL CB C 92 31.354 31.354 31.968 -0.614 18431 3595 1 8 . 1 1 92 92 VAL H H 92 7.382 7.382 7.664 -0.282 18431 3596 1 8 . 1 1 93 93 LEU N N 93 123.817 123.817 117.120 6.697 18431 3597 1 8 . 1 1 93 93 LEU HA H 93 4.038 4.038 4.284 -0.246 18431 3598 1 8 . 1 1 93 93 LEU CA C 93 58.777 58.777 57.876 0.901 18431 3599 1 8 . 1 1 93 93 LEU CB C 93 41.790 41.790 41.501 0.289 18431 3600 1 8 . 1 1 93 93 LEU H H 93 8.813 8.813 7.414 1.399 18431 3601 1 8 . 1 1 94 94 GLN N N 94 119.660 119.660 119.575 0.085 18431 3602 1 8 . 1 1 94 94 GLN HA H 94 3.990 3.990 4.284 -0.294 18431 3603 1 8 . 1 1 94 94 GLN CA C 94 58.977 58.977 58.568 0.409 18431 3604 1 8 . 1 1 94 94 GLN CB C 94 28.270 28.270 28.474 -0.204 18431 3605 1 8 . 1 1 94 94 GLN H H 94 8.469 8.469 7.843 0.626 18431 3606 1 8 . 1 1 95 95 GLN N N 95 117.593 117.593 117.114 0.479 18431 3607 1 8 . 1 1 95 95 GLN HA H 95 4.068 4.068 4.157 -0.089 18431 3608 1 8 . 1 1 95 95 GLN CA C 95 57.991 57.991 58.168 -0.177 18431 3609 1 8 . 1 1 95 95 GLN CB C 95 28.548 28.548 28.747 -0.199 18431 3610 1 8 . 1 1 95 95 GLN H H 95 8.088 8.088 7.696 0.392 18431 3611 1 8 . 1 1 96 96 THR N N 96 113.065 113.065 112.309 0.756 18431 3612 1 8 . 1 1 96 96 THR HA H 96 4.003 4.003 4.136 -0.133 18431 3613 1 8 . 1 1 96 96 THR CA C 96 64.857 64.857 64.050 0.807 18431 3614 1 8 . 1 1 96 96 THR CB C 96 69.618 69.618 69.239 0.379 18431 3615 1 8 . 1 1 96 96 THR H H 96 7.970 7.970 7.668 0.302 18431 3616 1 8 . 1 1 97 97 TYR N N 97 118.178 118.178 118.418 -0.240 18431 3617 1 8 . 1 1 97 97 TYR HA H 97 4.717 4.717 4.569 0.148 18431 3618 1 8 . 1 1 97 97 TYR CA C 97 58.312 58.312 59.668 -1.356 18431 3619 1 8 . 1 1 97 97 TYR CB C 97 40.223 40.223 39.786 0.437 18431 3620 1 8 . 1 1 97 97 TYR H H 97 8.438 8.438 8.420 0.018 18431 3621 1 8 . 1 1 98 98 GLY N N 98 109.735 109.735 104.288 5.447 18431 3622 1 8 . 1 1 98 98 GLY CA C 98 45.908 45.908 45.139 0.769 18431 3623 1 8 . 1 1 98 98 GLY H H 98 8.014 8.014 8.068 -0.054 18431 3624 1 8 . 1 1 99 99 SER N N 99 114.137 114.137 114.987 -0.850 18431 3625 1 8 . 1 1 99 99 SER HA H 99 4.642 4.642 4.791 -0.149 18431 3626 1 8 . 1 1 99 99 SER CA C 99 57.226 57.226 56.900 0.326 18431 3627 1 8 . 1 1 99 99 SER CB C 99 64.294 64.294 65.232 -0.938 18431 3628 1 8 . 1 1 99 99 SER H H 99 7.666 7.666 7.945 -0.279 18431 3629 1 8 . 1 1 100 100 THR N N 100 110.514 110.514 111.926 -1.412 18431 3630 1 8 . 1 1 100 100 THR HA H 100 4.424 4.424 4.539 -0.115 18431 3631 1 8 . 1 1 100 100 THR CA C 100 60.964 60.964 60.862 0.102 18431 3632 1 8 . 1 1 100 100 THR CB C 100 70.303 70.303 71.149 -0.846 18431 3633 1 8 . 1 1 100 100 THR H H 100 7.899 7.899 8.166 -0.267 18431 3634 1 8 . 1 1 101 101 LEU N N 101 124.047 124.047 120.814 3.233 18431 3635 1 8 . 1 1 101 101 LEU HA H 101 4.313 4.313 4.534 -0.221 18431 3636 1 8 . 1 1 101 101 LEU CA C 101 54.930 54.930 54.105 0.826 18431 3637 1 8 . 1 1 101 101 LEU CB C 101 42.501 42.501 43.062 -0.561 18431 3638 1 8 . 1 1 101 101 LEU H H 101 8.847 8.847 8.350 0.497 18431 3639 1 8 . 1 1 102 102 LYS N N 102 124.883 124.883 121.343 3.540 18431 3640 1 8 . 1 1 102 102 LYS HA H 102 4.415 4.415 4.338 0.077 18431 3641 1 8 . 1 1 102 102 LYS CA C 102 55.588 55.588 56.261 -0.673 18431 3642 1 8 . 1 1 102 102 LYS CB C 102 32.596 32.596 33.644 -1.048 18431 3643 1 8 . 1 1 102 102 LYS H H 102 8.578 8.578 8.340 0.238 18431 3644 1 8 . 1 1 103 103 VAL N N 103 122.753 122.753 125.570 -2.817 18431 3645 1 8 . 1 1 103 103 VAL HA H 103 4.237 4.237 4.410 -0.173 18431 3646 1 8 . 1 1 103 103 VAL CA C 103 61.956 61.956 61.662 0.294 18431 3647 1 8 . 1 1 103 103 VAL CB C 103 32.747 32.747 30.975 1.772 18431 3648 1 8 . 1 1 103 103 VAL H H 103 8.348 8.348 8.527 -0.179 18431 3649 1 9 . 1 1 9 9 ALA N N 9 123.345 123.345 125.840 -2.495 18431 3650 1 9 . 1 1 9 9 ALA HA H 9 4.549 4.549 4.459 0.090 18431 3651 1 9 . 1 1 9 9 ALA CA C 9 50.151 50.151 51.701 -1.550 18431 3652 1 9 . 1 1 9 9 ALA CB C 9 18.185 18.185 19.299 -1.114 18431 3653 1 9 . 1 1 9 9 ALA H H 9 7.992 7.992 8.354 -0.362 18431 3654 1 9 . 1 1 10 10 PRO HA H 10 4.299 4.299 4.277 0.022 18431 3655 1 9 . 1 1 10 10 PRO CA C 10 62.937 62.937 63.118 -0.181 18431 3656 1 9 . 1 1 10 10 PRO CB C 10 31.902 31.902 32.083 -0.181 18431 3657 1 9 . 1 1 11 11 ASN N N 11 117.877 117.877 114.816 3.061 18431 3658 1 9 . 1 1 11 11 ASN HA H 11 4.646 4.646 4.421 0.225 18431 3659 1 9 . 1 1 11 11 ASN CA C 11 53.077 53.077 53.321 -0.244 18431 3660 1 9 . 1 1 11 11 ASN CB C 11 38.590 38.590 37.355 1.235 18431 3661 1 9 . 1 1 11 11 ASN H H 11 8.467 8.467 8.455 0.012 18431 3662 1 9 . 1 1 12 12 LEU N N 12 122.874 122.874 113.324 9.550 18431 3663 1 9 . 1 1 12 12 LEU HA H 12 4.290 4.290 4.266 0.024 18431 3664 1 9 . 1 1 12 12 LEU CA C 12 55.170 55.170 56.907 -1.736 18431 3665 1 9 . 1 1 12 12 LEU CB C 12 42.131 42.131 42.053 0.078 18431 3666 1 9 . 1 1 12 12 LEU H H 12 8.196 8.196 7.776 0.420 18431 3667 1 9 . 1 1 13 13 ALA N N 13 123.854 123.854 118.681 5.173 18431 3668 1 9 . 1 1 13 13 ALA HA H 13 4.243 4.243 4.321 -0.078 18431 3669 1 9 . 1 1 13 13 ALA CA C 13 52.672 52.672 51.227 1.445 18431 3670 1 9 . 1 1 13 13 ALA CB C 13 18.923 18.923 19.667 -0.744 18431 3671 1 9 . 1 1 13 13 ALA H H 13 8.214 8.214 7.370 0.844 18431 3672 1 9 . 1 1 14 14 GLY N N 14 107.993 107.993 105.407 2.586 18431 3673 1 9 . 1 1 14 14 GLY CA C 14 44.989 44.989 45.641 -0.652 18431 3674 1 9 . 1 1 14 14 GLY H H 14 8.246 8.246 8.544 -0.298 18431 3675 1 9 . 1 1 15 15 ALA N N 15 123.594 123.594 119.798 3.796 18431 3676 1 9 . 1 1 15 15 ALA HA H 15 4.330 4.330 4.027 0.303 18431 3677 1 9 . 1 1 15 15 ALA CA C 15 52.147 52.147 51.987 0.160 18431 3678 1 9 . 1 1 15 15 ALA CB C 15 18.941 18.941 17.188 1.753 18431 3679 1 9 . 1 1 15 15 ALA H H 15 8.017 8.017 7.875 0.142 18431 3680 1 9 . 1 1 16 16 VAL N N 16 119.010 119.010 114.721 4.289 18431 3681 1 9 . 1 1 16 16 VAL HA H 16 4.036 4.036 3.911 0.125 18431 3682 1 9 . 1 1 16 16 VAL CA C 16 62.127 62.127 63.776 -1.649 18431 3683 1 9 . 1 1 16 16 VAL CB C 16 32.727 32.727 31.918 0.809 18431 3684 1 9 . 1 1 16 16 VAL H H 16 8.060 8.060 8.088 -0.028 18431 3685 1 9 . 1 1 17 17 GLU N N 17 124.211 124.211 119.339 4.872 18431 3686 1 9 . 1 1 17 17 GLU HA H 17 4.429 4.429 4.406 0.023 18431 3687 1 9 . 1 1 17 17 GLU CA C 17 57.429 57.429 55.111 2.318 18431 3688 1 9 . 1 1 17 17 GLU CB C 17 29.421 29.421 30.205 -0.784 18431 3689 1 9 . 1 1 17 17 GLU H H 17 8.436 8.436 7.880 0.556 18431 3690 1 9 . 1 1 18 18 PHE HA H 18 4.291 4.291 4.261 0.030 18431 3691 1 9 . 1 1 18 18 PHE CA C 18 60.955 60.955 59.505 1.450 18431 3692 1 9 . 1 1 18 18 PHE CB C 18 38.464 38.464 39.182 -0.718 18431 3693 1 9 . 1 1 19 19 SER N N 19 112.147 112.147 113.681 -1.534 18431 3694 1 9 . 1 1 19 19 SER HA H 19 3.659 3.659 3.777 -0.118 18431 3695 1 9 . 1 1 19 19 SER CA C 19 61.576 61.576 61.846 -0.270 18431 3696 1 9 . 1 1 19 19 SER CB C 19 61.649 61.649 62.131 -0.482 18431 3697 1 9 . 1 1 19 19 SER H H 19 8.871 8.871 8.407 0.464 18431 3698 1 9 . 1 1 20 20 ASP N N 20 120.916 120.916 120.912 0.004 18431 3699 1 9 . 1 1 20 20 ASP HA H 20 4.492 4.492 4.472 0.020 18431 3700 1 9 . 1 1 20 20 ASP CA C 20 56.696 56.696 56.451 0.245 18431 3701 1 9 . 1 1 20 20 ASP CB C 20 40.543 40.543 40.969 -0.426 18431 3702 1 9 . 1 1 20 20 ASP H H 20 7.019 7.019 7.477 -0.458 18431 3703 1 9 . 1 1 21 21 VAL HA H 21 3.224 3.224 3.503 -0.279 18431 3704 1 9 . 1 1 21 21 VAL CA C 21 66.801 66.801 66.477 0.324 18431 3705 1 9 . 1 1 21 21 VAL CB C 21 31.741 31.741 31.781 -0.040 18431 3706 1 9 . 1 1 22 22 LYS HA H 22 3.435 3.435 3.826 -0.391 18431 3707 1 9 . 1 1 22 22 LYS CA C 22 60.282 60.282 59.833 0.449 18431 3708 1 9 . 1 1 22 22 LYS CB C 22 31.283 31.283 31.479 -0.196 18431 3709 1 9 . 1 1 23 23 THR N N 23 116.224 116.224 117.311 -1.087 18431 3710 1 9 . 1 1 23 23 THR HA H 23 3.796 3.796 4.096 -0.300 18431 3711 1 9 . 1 1 23 23 THR CA C 23 66.591 66.591 66.816 -0.225 18431 3712 1 9 . 1 1 23 23 THR CB C 23 68.361 68.361 68.802 -0.441 18431 3713 1 9 . 1 1 23 23 THR H H 23 7.391 7.391 7.460 -0.069 18431 3714 1 9 . 1 1 24 24 LEU HA H 24 4.022 4.022 3.973 0.049 18431 3715 1 9 . 1 1 24 24 LEU CA C 24 57.911 57.911 58.175 -0.264 18431 3716 1 9 . 1 1 24 24 LEU CB C 24 42.110 42.110 41.909 0.201 18431 3717 1 9 . 1 1 24 24 LEU H H 24 7.699 7.699 7.831 -0.132 18431 3718 1 9 . 1 1 25 25 LEU N N 25 118.389 118.389 118.920 -0.531 18431 3719 1 9 . 1 1 25 25 LEU HA H 25 4.135 4.135 4.170 -0.035 18431 3720 1 9 . 1 1 25 25 LEU CA C 25 57.864 57.864 57.966 -0.102 18431 3721 1 9 . 1 1 25 25 LEU CB C 25 42.653 42.653 42.017 0.636 18431 3722 1 9 . 1 1 25 25 LEU H H 25 8.331 8.331 8.152 0.179 18431 3723 1 9 . 1 1 26 26 LYS N N 26 118.433 118.433 119.554 -1.121 18431 3724 1 9 . 1 1 26 26 LYS HA H 26 3.833 3.833 3.873 -0.040 18431 3725 1 9 . 1 1 26 26 LYS CA C 26 60.095 60.095 59.363 0.732 18431 3726 1 9 . 1 1 26 26 LYS CB C 26 31.623 31.623 32.001 -0.378 18431 3727 1 9 . 1 1 26 26 LYS H H 26 8.464 8.464 8.075 0.389 18431 3728 1 9 . 1 1 27 27 GLU N N 27 120.838 120.838 119.872 0.966 18431 3729 1 9 . 1 1 27 27 GLU HA H 27 3.945 3.945 4.226 -0.281 18431 3730 1 9 . 1 1 27 27 GLU CA C 27 59.509 59.509 59.405 0.104 18431 3731 1 9 . 1 1 27 27 GLU CB C 27 29.199 29.199 29.631 -0.432 18431 3732 1 9 . 1 1 27 27 GLU H H 27 8.246 8.246 8.639 -0.393 18431 3733 1 9 . 1 1 28 28 TRP N N 28 122.200 122.200 121.359 0.841 18431 3734 1 9 . 1 1 28 28 TRP HA H 28 4.597 4.597 4.615 -0.018 18431 3735 1 9 . 1 1 28 28 TRP CA C 28 59.443 59.443 60.625 -1.182 18431 3736 1 9 . 1 1 28 28 TRP CB C 28 29.083 29.083 29.520 -0.437 18431 3737 1 9 . 1 1 28 28 TRP H H 28 8.143 8.143 7.948 0.195 18431 3738 1 9 . 1 1 29 29 ILE N N 29 114.954 114.954 117.032 -2.078 18431 3739 1 9 . 1 1 29 29 ILE HA H 29 2.742 2.742 3.374 -0.632 18431 3740 1 9 . 1 1 29 29 ILE CA C 29 62.759 62.759 62.791 -0.032 18431 3741 1 9 . 1 1 29 29 ILE CB C 29 37.992 37.992 38.262 -0.270 18431 3742 1 9 . 1 1 29 29 ILE H H 29 7.999 7.999 7.629 0.370 18431 3743 1 9 . 1 1 30 30 THR N N 30 106.869 106.869 113.087 -6.218 18431 3744 1 9 . 1 1 30 30 THR HA H 30 4.117 4.117 4.143 -0.026 18431 3745 1 9 . 1 1 30 30 THR CA C 30 63.447 63.447 64.660 -1.213 18431 3746 1 9 . 1 1 30 30 THR CB C 30 70.045 70.045 69.498 0.547 18431 3747 1 9 . 1 1 30 30 THR H H 30 7.622 7.622 7.849 -0.227 18431 3748 1 9 . 1 1 31 31 THR N N 31 111.890 111.890 115.284 -3.394 18431 3749 1 9 . 1 1 31 31 THR HA H 31 4.503 4.503 4.106 0.397 18431 3750 1 9 . 1 1 31 31 THR CA C 31 63.231 63.231 64.802 -1.571 18431 3751 1 9 . 1 1 31 31 THR CB C 31 70.556 70.556 69.191 1.365 18431 3752 1 9 . 1 1 31 31 THR H H 31 7.588 7.588 7.859 -0.271 18431 3753 1 9 . 1 1 32 32 ILE N N 32 123.663 123.663 121.493 2.170 18431 3754 1 9 . 1 1 32 32 ILE HA H 32 4.499 4.499 4.255 0.244 18431 3755 1 9 . 1 1 32 32 ILE CA C 32 59.426 59.426 59.924 -0.498 18431 3756 1 9 . 1 1 32 32 ILE CB C 32 37.378 37.378 37.904 -0.526 18431 3757 1 9 . 1 1 32 32 ILE H H 32 7.929 7.929 7.526 0.403 18431 3758 1 9 . 1 1 33 33 SER N N 33 119.544 119.544 117.671 1.873 18431 3759 1 9 . 1 1 33 33 SER HA H 33 4.523 4.523 4.685 -0.162 18431 3760 1 9 . 1 1 33 33 SER CA C 33 59.189 59.189 58.886 0.303 18431 3761 1 9 . 1 1 33 33 SER CB C 33 63.838 63.838 64.991 -1.153 18431 3762 1 9 . 1 1 33 33 SER H H 33 8.418 8.418 8.741 -0.323 18431 3763 1 9 . 1 1 34 34 ASP HA H 34 4.821 4.821 4.892 -0.071 18431 3764 1 9 . 1 1 34 34 ASP CA C 34 51.168 51.168 51.993 -0.825 18431 3765 1 9 . 1 1 34 34 ASP CB C 34 41.139 41.139 41.230 -0.090 18431 3766 1 9 . 1 1 34 34 ASP H H 34 7.730 7.730 8.126 -0.396 18431 3767 1 9 . 1 1 35 35 PRO HA H 35 4.167 4.167 4.486 -0.319 18431 3768 1 9 . 1 1 35 35 PRO CA C 35 62.085 62.085 62.842 -0.757 18431 3769 1 9 . 1 1 35 35 PRO CB C 35 31.767 31.767 33.006 -1.239 18431 3770 1 9 . 1 1 36 36 MET N N 36 121.309 121.309 117.504 3.805 18431 3771 1 9 . 1 1 36 36 MET HA H 36 4.565 4.565 4.756 -0.191 18431 3772 1 9 . 1 1 36 36 MET CA C 36 53.867 53.867 54.016 -0.149 18431 3773 1 9 . 1 1 36 36 MET CB C 36 32.411 32.411 35.120 -2.709 18431 3774 1 9 . 1 1 36 36 MET H H 36 9.165 9.165 8.374 0.791 18431 3775 1 9 . 1 1 37 37 GLU N N 37 125.284 125.284 119.305 5.979 18431 3776 1 9 . 1 1 37 37 GLU HA H 37 3.744 3.744 3.887 -0.143 18431 3777 1 9 . 1 1 37 37 GLU CA C 37 60.307 60.307 59.517 0.790 18431 3778 1 9 . 1 1 37 37 GLU CB C 37 29.448 29.448 28.915 0.533 18431 3779 1 9 . 1 1 37 37 GLU H H 37 9.034 9.034 8.876 0.158 18431 3780 1 9 . 1 1 38 38 GLU N N 38 116.000 116.000 117.541 -1.541 18431 3781 1 9 . 1 1 38 38 GLU HA H 38 4.003 4.003 4.010 -0.007 18431 3782 1 9 . 1 1 38 38 GLU CA C 38 59.588 59.588 59.054 0.534 18431 3783 1 9 . 1 1 38 38 GLU CB C 38 29.280 29.280 28.805 0.475 18431 3784 1 9 . 1 1 38 38 GLU H H 38 9.356 9.356 8.710 0.646 18431 3785 1 9 . 1 1 39 39 ASP N N 39 118.974 118.974 120.409 -1.435 18431 3786 1 9 . 1 1 39 39 ASP HA H 39 4.493 4.493 4.403 0.090 18431 3787 1 9 . 1 1 39 39 ASP CA C 39 57.231 57.231 57.416 -0.185 18431 3788 1 9 . 1 1 39 39 ASP CB C 39 41.226 41.226 40.573 0.653 18431 3789 1 9 . 1 1 39 39 ASP H H 39 7.169 7.169 7.949 -0.780 18431 3790 1 9 . 1 1 40 40 ILE N N 40 120.269 120.269 119.129 1.140 18431 3791 1 9 . 1 1 40 40 ILE HA H 40 3.845 3.845 4.040 -0.195 18431 3792 1 9 . 1 1 40 40 ILE CA C 40 65.345 65.345 64.486 0.859 18431 3793 1 9 . 1 1 40 40 ILE CB C 40 37.500 37.500 38.160 -0.660 18431 3794 1 9 . 1 1 40 40 ILE H H 40 7.766 7.766 7.479 0.287 18431 3795 1 9 . 1 1 41 41 LEU N N 41 118.715 118.715 119.926 -1.211 18431 3796 1 9 . 1 1 41 41 LEU HA H 41 4.131 4.131 4.136 -0.005 18431 3797 1 9 . 1 1 41 41 LEU CA C 41 57.835 57.835 57.559 0.276 18431 3798 1 9 . 1 1 41 41 LEU CB C 41 40.819 40.819 40.656 0.163 18431 3799 1 9 . 1 1 41 41 LEU H H 41 8.726 8.726 7.372 1.354 18431 3800 1 9 . 1 1 42 42 GLN N N 42 119.539 119.539 118.584 0.955 18431 3801 1 9 . 1 1 42 42 GLN HA H 42 4.177 4.177 4.093 0.084 18431 3802 1 9 . 1 1 42 42 GLN CA C 42 59.241 59.241 58.462 0.779 18431 3803 1 9 . 1 1 42 42 GLN CB C 42 28.518 28.518 28.385 0.133 18431 3804 1 9 . 1 1 42 42 GLN H H 42 7.768 7.768 7.986 -0.218 18431 3805 1 9 . 1 1 43 43 VAL N N 43 121.194 121.194 115.507 5.687 18431 3806 1 9 . 1 1 43 43 VAL HA H 43 3.787 3.787 3.727 0.060 18431 3807 1 9 . 1 1 43 43 VAL CA C 43 66.760 66.760 66.010 0.751 18431 3808 1 9 . 1 1 43 43 VAL CB C 43 31.423 31.423 31.126 0.297 18431 3809 1 9 . 1 1 43 43 VAL H H 43 7.712 7.712 7.332 0.380 18431 3810 1 9 . 1 1 44 44 VAL N N 44 120.876 120.876 120.078 0.798 18431 3811 1 9 . 1 1 44 44 VAL HA H 44 3.422 3.422 3.823 -0.401 18431 3812 1 9 . 1 1 44 44 VAL CA C 44 67.910 67.910 65.802 2.108 18431 3813 1 9 . 1 1 44 44 VAL CB C 44 31.392 31.392 31.423 -0.031 18431 3814 1 9 . 1 1 44 44 VAL H H 44 8.232 8.232 7.567 0.665 18431 3815 1 9 . 1 1 45 45 ARG N N 45 120.934 120.934 121.029 -0.095 18431 3816 1 9 . 1 1 45 45 ARG HA H 45 4.148 4.148 4.076 0.072 18431 3817 1 9 . 1 1 45 45 ARG CA C 45 58.593 58.593 58.285 0.308 18431 3818 1 9 . 1 1 45 45 ARG CB C 45 29.608 29.608 29.475 0.133 18431 3819 1 9 . 1 1 45 45 ARG H H 45 8.489 8.489 7.699 0.790 18431 3820 1 9 . 1 1 46 46 TYR N N 46 120.548 120.548 120.523 0.025 18431 3821 1 9 . 1 1 46 46 TYR HA H 46 4.547 4.547 4.322 0.225 18431 3822 1 9 . 1 1 46 46 TYR CA C 46 60.926 60.926 61.230 -0.304 18431 3823 1 9 . 1 1 46 46 TYR CB C 46 38.447 38.447 38.516 -0.069 18431 3824 1 9 . 1 1 46 46 TYR H H 46 7.870 7.870 7.754 0.116 18431 3825 1 9 . 1 1 47 47 CYS N N 47 115.132 115.132 117.606 -2.474 18431 3826 1 9 . 1 1 47 47 CYS HA H 47 3.738 3.738 3.875 -0.137 18431 3827 1 9 . 1 1 47 47 CYS CA C 47 64.313 64.313 61.648 2.666 18431 3828 1 9 . 1 1 47 47 CYS CB C 47 27.744 27.744 26.418 1.326 18431 3829 1 9 . 1 1 47 47 CYS H H 47 8.109 8.109 7.808 0.301 18431 3830 1 9 . 1 1 48 48 THR N N 48 114.153 114.153 115.547 -1.394 18431 3831 1 9 . 1 1 48 48 THR HA H 48 3.877 3.877 4.033 -0.156 18431 3832 1 9 . 1 1 48 48 THR CA C 48 66.755 66.755 66.668 0.087 18431 3833 1 9 . 1 1 48 48 THR CB C 48 67.593 67.593 68.003 -0.410 18431 3834 1 9 . 1 1 48 48 THR H H 48 8.776 8.776 8.152 0.624 18431 3835 1 9 . 1 1 49 49 ASP N N 49 126.528 126.528 120.843 5.685 18431 3836 1 9 . 1 1 49 49 ASP HA H 49 4.425 4.425 4.539 -0.114 18431 3837 1 9 . 1 1 49 49 ASP CA C 49 57.688 57.688 55.986 1.702 18431 3838 1 9 . 1 1 49 49 ASP CB C 49 39.249 39.249 40.807 -1.558 18431 3839 1 9 . 1 1 49 49 ASP H H 49 8.697 8.697 7.556 1.141 18431 3840 1 9 . 1 1 50 50 LEU HA H 50 3.924 3.924 4.142 -0.218 18431 3841 1 9 . 1 1 50 50 LEU CA C 50 58.157 58.157 57.345 0.812 18431 3842 1 9 . 1 1 50 50 LEU CB C 50 41.408 41.408 42.058 -0.650 18431 3843 1 9 . 1 1 51 51 ILE N N 51 118.832 118.832 117.018 1.814 18431 3844 1 9 . 1 1 51 51 ILE HA H 51 3.417 3.417 3.641 -0.224 18431 3845 1 9 . 1 1 51 51 ILE CA C 51 66.261 66.261 65.385 0.877 18431 3846 1 9 . 1 1 51 51 ILE CB C 51 37.691 37.691 37.391 0.300 18431 3847 1 9 . 1 1 51 51 ILE H H 51 7.639 7.639 7.518 0.121 18431 3848 1 9 . 1 1 52 52 GLU N N 52 123.247 123.247 117.647 5.600 18431 3849 1 9 . 1 1 52 52 GLU HA H 52 4.001 4.001 4.129 -0.128 18431 3850 1 9 . 1 1 52 52 GLU CA C 52 59.592 59.592 58.545 1.047 18431 3851 1 9 . 1 1 52 52 GLU CB C 52 29.068 29.068 29.473 -0.405 18431 3852 1 9 . 1 1 52 52 GLU H H 52 8.506 8.506 7.918 0.588 18431 3853 1 9 . 1 1 53 53 GLU N N 53 116.384 116.384 116.148 0.236 18431 3854 1 9 . 1 1 53 53 GLU HA H 53 4.294 4.294 4.446 -0.152 18431 3855 1 9 . 1 1 53 53 GLU CA C 53 55.907 55.907 55.776 0.131 18431 3856 1 9 . 1 1 53 53 GLU CB C 53 29.710 29.710 29.716 -0.006 18431 3857 1 9 . 1 1 53 53 GLU H H 53 7.716 7.716 7.612 0.104 18431 3858 1 9 . 1 1 54 54 LYS N N 54 116.934 116.934 114.455 2.479 18431 3859 1 9 . 1 1 54 54 LYS HA H 54 3.662 3.662 3.974 -0.312 18431 3860 1 9 . 1 1 54 54 LYS CA C 54 57.278 57.278 58.093 -0.815 18431 3861 1 9 . 1 1 54 54 LYS CB C 54 29.785 29.785 30.180 -0.395 18431 3862 1 9 . 1 1 54 54 LYS H H 54 8.089 8.089 7.525 0.564 18431 3863 1 9 . 1 1 55 55 ASP N N 55 122.549 122.549 118.659 3.890 18431 3864 1 9 . 1 1 55 55 ASP HA H 55 5.058 5.058 4.847 0.211 18431 3865 1 9 . 1 1 55 55 ASP CA C 55 51.306 51.306 53.461 -2.155 18431 3866 1 9 . 1 1 55 55 ASP CB C 55 38.856 38.856 40.174 -1.318 18431 3867 1 9 . 1 1 55 55 ASP H H 55 8.497 8.497 8.399 0.098 18431 3868 1 9 . 1 1 56 56 LEU N N 56 119.627 119.627 116.821 2.806 18431 3869 1 9 . 1 1 56 56 LEU HA H 56 3.901 3.901 4.352 -0.451 18431 3870 1 9 . 1 1 56 56 LEU CA C 56 56.528 56.528 55.084 1.444 18431 3871 1 9 . 1 1 56 56 LEU CB C 56 40.034 40.034 40.255 -0.221 18431 3872 1 9 . 1 1 56 56 LEU H H 56 7.578 7.578 7.937 -0.359 18431 3873 1 9 . 1 1 57 57 GLU N N 57 121.433 121.433 121.448 -0.015 18431 3874 1 9 . 1 1 57 57 GLU HA H 57 4.041 4.041 3.839 0.202 18431 3875 1 9 . 1 1 57 57 GLU CA C 57 59.321 59.321 59.578 -0.257 18431 3876 1 9 . 1 1 57 57 GLU CB C 57 29.229 29.229 28.970 0.259 18431 3877 1 9 . 1 1 57 57 GLU H H 57 8.614 8.614 8.406 0.208 18431 3878 1 9 . 1 1 58 58 LYS N N 58 119.832 119.832 117.887 1.945 18431 3879 1 9 . 1 1 58 58 LYS HA H 58 3.760 3.760 3.954 -0.194 18431 3880 1 9 . 1 1 58 58 LYS CA C 58 59.273 59.273 58.209 1.064 18431 3881 1 9 . 1 1 58 58 LYS CB C 58 32.370 32.370 32.068 0.302 18431 3882 1 9 . 1 1 58 58 LYS H H 58 7.527 7.527 7.702 -0.175 18431 3883 1 9 . 1 1 59 59 LEU N N 59 117.844 117.844 121.884 -4.040 18431 3884 1 9 . 1 1 59 59 LEU HA H 59 3.912 3.912 3.935 -0.023 18431 3885 1 9 . 1 1 59 59 LEU CA C 59 57.865 57.865 57.856 0.009 18431 3886 1 9 . 1 1 59 59 LEU CB C 59 41.382 41.382 41.450 -0.068 18431 3887 1 9 . 1 1 59 59 LEU H H 59 7.570 7.570 7.609 -0.039 18431 3888 1 9 . 1 1 60 60 ASP N N 60 117.630 117.630 117.746 -0.116 18431 3889 1 9 . 1 1 60 60 ASP HA H 60 4.273 4.273 4.266 0.007 18431 3890 1 9 . 1 1 60 60 ASP CA C 60 57.695 57.695 57.807 -0.112 18431 3891 1 9 . 1 1 60 60 ASP CB C 60 42.074 42.074 40.639 1.435 18431 3892 1 9 . 1 1 60 60 ASP H H 60 7.849 7.849 8.051 -0.202 18431 3893 1 9 . 1 1 61 61 LEU N N 61 116.500 116.500 118.179 -1.679 18431 3894 1 9 . 1 1 61 61 LEU HA H 61 3.924 3.924 4.058 -0.134 18431 3895 1 9 . 1 1 61 61 LEU CA C 61 57.886 57.886 56.807 1.079 18431 3896 1 9 . 1 1 61 61 LEU CB C 61 41.825 41.825 41.546 0.279 18431 3897 1 9 . 1 1 61 61 LEU H H 61 7.484 7.484 7.316 0.168 18431 3898 1 9 . 1 1 62 62 VAL N N 62 120.681 120.681 118.687 1.994 18431 3899 1 9 . 1 1 62 62 VAL HA H 62 3.963 3.963 3.887 0.076 18431 3900 1 9 . 1 1 62 62 VAL CA C 62 66.843 66.843 65.878 0.965 18431 3901 1 9 . 1 1 62 62 VAL CB C 62 31.954 31.954 30.979 0.975 18431 3902 1 9 . 1 1 62 62 VAL H H 62 8.682 8.682 7.083 1.599 18431 3903 1 9 . 1 1 63 63 ILE N N 63 122.448 122.448 118.541 3.907 18431 3904 1 9 . 1 1 63 63 ILE HA H 63 3.995 3.995 3.812 0.183 18431 3905 1 9 . 1 1 63 63 ILE CA C 63 63.777 63.777 63.789 -0.012 18431 3906 1 9 . 1 1 63 63 ILE CB C 63 35.707 35.707 36.426 -0.719 18431 3907 1 9 . 1 1 63 63 ILE H H 63 8.824 8.824 7.866 0.958 18431 3908 1 9 . 1 1 64 64 LYS N N 64 118.898 118.898 119.242 -0.344 18431 3909 1 9 . 1 1 64 64 LYS HA H 64 3.889 3.889 4.130 -0.241 18431 3910 1 9 . 1 1 64 64 LYS CA C 64 60.416 60.416 59.361 1.055 18431 3911 1 9 . 1 1 64 64 LYS CB C 64 32.563 32.563 32.235 0.328 18431 3912 1 9 . 1 1 64 64 LYS H H 64 8.368 8.368 7.668 0.700 18431 3913 1 9 . 1 1 65 65 TYR N N 65 121.217 121.217 121.356 -0.139 18431 3914 1 9 . 1 1 65 65 TYR HA H 65 4.330 4.330 4.385 -0.055 18431 3915 1 9 . 1 1 65 65 TYR CA C 65 61.779 61.779 60.868 0.911 18431 3916 1 9 . 1 1 65 65 TYR CB C 65 38.898 38.898 38.834 0.064 18431 3917 1 9 . 1 1 65 65 TYR H H 65 8.200 8.200 7.481 0.719 18431 3918 1 9 . 1 1 66 66 MET N N 66 116.741 116.741 118.202 -1.461 18431 3919 1 9 . 1 1 66 66 MET HA H 66 3.682 3.682 4.099 -0.417 18431 3920 1 9 . 1 1 66 66 MET CA C 66 60.444 60.444 58.914 1.530 18431 3921 1 9 . 1 1 66 66 MET CB C 66 33.627 33.627 33.078 0.549 18431 3922 1 9 . 1 1 66 66 MET H H 66 8.681 8.681 8.703 -0.022 18431 3923 1 9 . 1 1 67 67 LYS N N 67 119.826 119.826 117.975 1.851 18431 3924 1 9 . 1 1 67 67 LYS HA H 67 2.637 2.637 3.199 -0.562 18431 3925 1 9 . 1 1 67 67 LYS CA C 67 59.949 59.949 58.619 1.330 18431 3926 1 9 . 1 1 67 67 LYS CB C 67 32.596 32.596 31.770 0.826 18431 3927 1 9 . 1 1 67 67 LYS H H 67 8.563 8.563 7.870 0.693 18431 3928 1 9 . 1 1 68 68 ARG N N 68 116.343 116.343 118.543 -2.200 18431 3929 1 9 . 1 1 68 68 ARG HA H 68 3.859 3.859 4.161 -0.302 18431 3930 1 9 . 1 1 68 68 ARG CA C 68 58.254 58.254 58.083 0.171 18431 3931 1 9 . 1 1 68 68 ARG CB C 68 29.605 29.605 29.913 -0.308 18431 3932 1 9 . 1 1 68 68 ARG H H 68 7.117 7.117 7.515 -0.398 18431 3933 1 9 . 1 1 69 69 LEU N N 69 116.573 116.573 121.036 -4.463 18431 3934 1 9 . 1 1 69 69 LEU HA H 69 3.847 3.847 4.137 -0.290 18431 3935 1 9 . 1 1 69 69 LEU CA C 69 56.861 56.861 56.705 0.156 18431 3936 1 9 . 1 1 69 69 LEU CB C 69 42.950 42.950 42.032 0.918 18431 3937 1 9 . 1 1 69 69 LEU H H 69 7.360 7.360 7.671 -0.311 18431 3938 1 9 . 1 1 70 70 MET N N 70 115.874 115.874 116.656 -0.782 18431 3939 1 9 . 1 1 70 70 MET HA H 70 3.823 3.823 3.809 0.014 18431 3940 1 9 . 1 1 70 70 MET CA C 70 59.195 59.195 58.480 0.715 18431 3941 1 9 . 1 1 70 70 MET CB C 70 32.315 32.315 32.189 0.126 18431 3942 1 9 . 1 1 70 70 MET H H 70 8.769 8.769 7.652 1.117 18431 3943 1 9 . 1 1 71 71 GLN N N 71 114.286 114.286 117.685 -3.399 18431 3944 1 9 . 1 1 71 71 GLN HA H 71 4.416 4.416 3.937 0.479 18431 3945 1 9 . 1 1 71 71 GLN CA C 71 56.527 56.527 58.476 -1.949 18431 3946 1 9 . 1 1 71 71 GLN CB C 71 27.446 27.446 28.595 -1.149 18431 3947 1 9 . 1 1 71 71 GLN H H 71 7.522 7.522 7.573 -0.051 18431 3948 1 9 . 1 1 72 72 GLN N N 72 117.645 117.645 115.790 1.855 18431 3949 1 9 . 1 1 72 72 GLN HA H 72 4.198 4.198 4.050 0.148 18431 3950 1 9 . 1 1 72 72 GLN CA C 72 56.549 56.549 56.684 -0.135 18431 3951 1 9 . 1 1 72 72 GLN CB C 72 28.824 28.824 28.516 0.308 18431 3952 1 9 . 1 1 72 72 GLN H H 72 7.279 7.279 7.579 -0.300 18431 3953 1 9 . 1 1 73 73 SER N N 73 113.600 113.600 115.991 -2.391 18431 3954 1 9 . 1 1 73 73 SER HA H 73 4.504 4.504 4.449 0.055 18431 3955 1 9 . 1 1 73 73 SER CA C 73 57.600 57.600 58.122 -0.522 18431 3956 1 9 . 1 1 73 73 SER CB C 73 63.542 63.542 64.745 -1.203 18431 3957 1 9 . 1 1 73 73 SER H H 73 7.588 7.588 7.437 0.151 18431 3958 1 9 . 1 1 74 74 VAL N N 74 121.652 121.652 118.757 2.895 18431 3959 1 9 . 1 1 74 74 VAL HA H 74 4.136 4.136 4.166 -0.030 18431 3960 1 9 . 1 1 74 74 VAL CA C 74 62.985 62.985 62.996 -0.011 18431 3961 1 9 . 1 1 74 74 VAL CB C 74 31.797 31.797 32.058 -0.261 18431 3962 1 9 . 1 1 74 74 VAL H H 74 8.300 8.300 8.226 0.074 18431 3963 1 9 . 1 1 75 75 GLU N N 75 120.481 120.481 121.827 -1.346 18431 3964 1 9 . 1 1 75 75 GLU HA H 75 4.415 4.415 4.341 0.074 18431 3965 1 9 . 1 1 75 75 GLU CA C 75 56.061 56.061 56.712 -0.652 18431 3966 1 9 . 1 1 75 75 GLU CB C 75 29.153 29.153 29.452 -0.299 18431 3967 1 9 . 1 1 75 75 GLU H H 75 8.486 8.486 8.432 0.054 18431 3968 1 9 . 1 1 76 76 SER HA H 76 4.498 4.498 4.163 0.335 18431 3969 1 9 . 1 1 76 76 SER CA C 76 59.426 59.426 61.122 -1.696 18431 3970 1 9 . 1 1 76 76 SER CB C 76 64.071 64.071 63.367 0.704 18431 3971 1 9 . 1 1 76 76 SER H H 76 8.142 8.142 8.742 -0.600 18431 3972 1 9 . 1 1 77 77 VAL N N 77 122.712 122.712 121.587 1.125 18431 3973 1 9 . 1 1 77 77 VAL HA H 77 4.036 4.036 3.751 0.285 18431 3974 1 9 . 1 1 77 77 VAL CA C 77 64.600 64.600 65.523 -0.923 18431 3975 1 9 . 1 1 77 77 VAL CB C 77 30.843 30.843 31.659 -0.816 18431 3976 1 9 . 1 1 77 77 VAL H H 77 8.750 8.750 8.032 0.718 18431 3977 1 9 . 1 1 78 78 TRP N N 78 121.247 121.247 119.329 1.918 18431 3978 1 9 . 1 1 78 78 TRP HA H 78 4.507 4.507 4.346 0.161 18431 3979 1 9 . 1 1 78 78 TRP CA C 78 59.753 59.753 60.866 -1.113 18431 3980 1 9 . 1 1 78 78 TRP CB C 78 29.332 29.332 29.415 -0.083 18431 3981 1 9 . 1 1 78 78 TRP H H 78 7.837 7.837 7.657 0.180 18431 3982 1 9 . 1 1 79 79 ASN N N 79 119.032 119.032 117.403 1.629 18431 3983 1 9 . 1 1 79 79 ASN HA H 79 4.382 4.382 4.482 -0.100 18431 3984 1 9 . 1 1 79 79 ASN CA C 79 57.406 57.406 56.936 0.470 18431 3985 1 9 . 1 1 79 79 ASN CB C 79 38.813 38.813 38.350 0.463 18431 3986 1 9 . 1 1 79 79 ASN H H 79 7.856 7.856 7.923 -0.067 18431 3987 1 9 . 1 1 80 80 MET N N 80 117.280 117.280 117.841 -0.561 18431 3988 1 9 . 1 1 80 80 MET HA H 80 4.383 4.383 4.416 -0.033 18431 3989 1 9 . 1 1 80 80 MET CA C 80 58.111 58.111 57.778 0.333 18431 3990 1 9 . 1 1 80 80 MET CB C 80 32.350 32.350 31.851 0.499 18431 3991 1 9 . 1 1 80 80 MET H H 80 7.765 7.765 8.475 -0.710 18431 3992 1 9 . 1 1 81 81 ALA N N 81 123.582 123.582 123.109 0.473 18431 3993 1 9 . 1 1 81 81 ALA HA H 81 4.220 4.220 4.171 0.049 18431 3994 1 9 . 1 1 81 81 ALA CA C 81 54.997 54.997 55.097 -0.100 18431 3995 1 9 . 1 1 81 81 ALA CB C 81 17.615 17.615 17.934 -0.320 18431 3996 1 9 . 1 1 81 81 ALA H H 81 8.019 8.019 7.702 0.317 18431 3997 1 9 . 1 1 82 82 PHE N N 82 117.853 117.853 120.428 -2.575 18431 3998 1 9 . 1 1 82 82 PHE HA H 82 4.201 4.201 4.304 -0.103 18431 3999 1 9 . 1 1 82 82 PHE CA C 82 62.679 62.679 60.358 2.321 18431 4000 1 9 . 1 1 82 82 PHE CB C 82 38.078 38.078 38.972 -0.894 18431 4001 1 9 . 1 1 82 82 PHE H H 82 8.455 8.455 8.606 -0.151 18431 4002 1 9 . 1 1 83 83 ASP N N 83 118.244 118.244 119.422 -1.178 18431 4003 1 9 . 1 1 83 83 ASP HA H 83 4.250 4.250 3.931 0.319 18431 4004 1 9 . 1 1 83 83 ASP CA C 83 57.602 57.602 57.590 0.012 18431 4005 1 9 . 1 1 83 83 ASP CB C 83 40.117 40.117 40.741 -0.624 18431 4006 1 9 . 1 1 83 83 ASP H H 83 7.615 7.615 7.904 -0.289 18431 4007 1 9 . 1 1 84 84 PHE N N 84 120.090 120.090 120.019 0.071 18431 4008 1 9 . 1 1 84 84 PHE HA H 84 4.319 4.319 4.277 0.042 18431 4009 1 9 . 1 1 84 84 PHE CA C 84 61.110 61.110 61.324 -0.214 18431 4010 1 9 . 1 1 84 84 PHE CB C 84 39.225 39.225 39.670 -0.445 18431 4011 1 9 . 1 1 84 84 PHE H H 84 7.849 7.849 7.461 0.388 18431 4012 1 9 . 1 1 85 85 ILE N N 85 122.915 122.915 119.953 2.962 18431 4013 1 9 . 1 1 85 85 ILE HA H 85 3.372 3.372 3.683 -0.311 18431 4014 1 9 . 1 1 85 85 ILE CA C 85 65.864 65.864 66.076 -0.212 18431 4015 1 9 . 1 1 85 85 ILE CB C 85 38.422 38.422 38.076 0.346 18431 4016 1 9 . 1 1 85 85 ILE H H 85 8.687 8.687 8.630 0.057 18431 4017 1 9 . 1 1 86 86 LEU N N 86 119.481 119.481 116.727 2.754 18431 4018 1 9 . 1 1 86 86 LEU HA H 86 3.715 3.715 3.933 -0.218 18431 4019 1 9 . 1 1 86 86 LEU CA C 86 57.875 57.875 58.665 -0.790 18431 4020 1 9 . 1 1 86 86 LEU CB C 86 40.602 40.602 40.607 -0.005 18431 4021 1 9 . 1 1 86 86 LEU H H 86 8.682 8.682 8.252 0.430 18431 4022 1 9 . 1 1 87 87 ASP N N 87 118.290 118.290 119.245 -0.955 18431 4023 1 9 . 1 1 87 87 ASP HA H 87 4.255 4.255 4.106 0.149 18431 4024 1 9 . 1 1 87 87 ASP CA C 87 57.604 57.604 57.121 0.483 18431 4025 1 9 . 1 1 87 87 ASP CB C 87 40.580 40.580 40.361 0.219 18431 4026 1 9 . 1 1 87 87 ASP H H 87 8.301 8.301 7.700 0.601 18431 4027 1 9 . 1 1 88 88 ASN N N 88 115.606 115.606 118.314 -2.708 18431 4028 1 9 . 1 1 88 88 ASN HA H 88 4.139 4.139 4.410 -0.271 18431 4029 1 9 . 1 1 88 88 ASN CA C 88 57.067 57.067 56.126 0.942 18431 4030 1 9 . 1 1 88 88 ASN CB C 88 39.734 39.734 39.038 0.697 18431 4031 1 9 . 1 1 88 88 ASN H H 88 7.421 7.421 7.482 -0.061 18431 4032 1 9 . 1 1 89 89 VAL N N 89 120.092 120.092 117.992 2.100 18431 4033 1 9 . 1 1 89 89 VAL HA H 89 3.421 3.421 3.709 -0.288 18431 4034 1 9 . 1 1 89 89 VAL CA C 89 66.777 66.777 65.809 0.968 18431 4035 1 9 . 1 1 89 89 VAL CB C 89 31.592 31.592 31.521 0.071 18431 4036 1 9 . 1 1 89 89 VAL H H 89 8.367 8.367 7.516 0.851 18431 4037 1 9 . 1 1 90 90 GLN N N 90 118.315 118.315 117.518 0.797 18431 4038 1 9 . 1 1 90 90 GLN HA H 90 4.427 4.427 4.119 0.308 18431 4039 1 9 . 1 1 90 90 GLN CA C 90 58.918 58.918 57.602 1.316 18431 4040 1 9 . 1 1 90 90 GLN CB C 90 28.471 28.471 28.518 -0.047 18431 4041 1 9 . 1 1 90 90 GLN H H 90 8.780 8.780 8.469 0.311 18431 4042 1 9 . 1 1 91 91 VAL N N 91 118.757 118.757 120.821 -2.064 18431 4043 1 9 . 1 1 91 91 VAL HA H 91 3.720 3.720 3.721 -0.001 18431 4044 1 9 . 1 1 91 91 VAL CA C 91 66.303 66.303 65.797 0.506 18431 4045 1 9 . 1 1 91 91 VAL CB C 91 31.641 31.641 31.888 -0.247 18431 4046 1 9 . 1 1 91 91 VAL H H 91 7.640 7.640 7.184 0.456 18431 4047 1 9 . 1 1 92 92 VAL N N 92 120.289 120.289 119.975 0.314 18431 4048 1 9 . 1 1 92 92 VAL HA H 92 3.728 3.728 3.630 0.098 18431 4049 1 9 . 1 1 92 92 VAL CA C 92 66.270 66.270 66.338 -0.068 18431 4050 1 9 . 1 1 92 92 VAL CB C 92 31.354 31.354 32.045 -0.691 18431 4051 1 9 . 1 1 92 92 VAL H H 92 7.382 7.382 8.243 -0.861 18431 4052 1 9 . 1 1 93 93 LEU N N 93 123.817 123.817 116.080 7.737 18431 4053 1 9 . 1 1 93 93 LEU HA H 93 4.038 4.038 4.247 -0.209 18431 4054 1 9 . 1 1 93 93 LEU CA C 93 58.777 58.777 57.791 0.986 18431 4055 1 9 . 1 1 93 93 LEU CB C 93 41.790 41.790 41.218 0.573 18431 4056 1 9 . 1 1 93 93 LEU H H 93 8.813 8.813 7.416 1.397 18431 4057 1 9 . 1 1 94 94 GLN N N 94 119.660 119.660 119.579 0.081 18431 4058 1 9 . 1 1 94 94 GLN HA H 94 3.990 3.990 4.266 -0.276 18431 4059 1 9 . 1 1 94 94 GLN CA C 94 58.977 58.977 58.579 0.398 18431 4060 1 9 . 1 1 94 94 GLN CB C 94 28.270 28.270 28.430 -0.161 18431 4061 1 9 . 1 1 94 94 GLN H H 94 8.469 8.469 7.770 0.699 18431 4062 1 9 . 1 1 95 95 GLN N N 95 117.593 117.593 116.910 0.683 18431 4063 1 9 . 1 1 95 95 GLN HA H 95 4.068 4.068 4.157 -0.089 18431 4064 1 9 . 1 1 95 95 GLN CA C 95 57.991 57.991 58.169 -0.178 18431 4065 1 9 . 1 1 95 95 GLN CB C 95 28.548 28.548 28.734 -0.186 18431 4066 1 9 . 1 1 95 95 GLN H H 95 8.088 8.088 7.624 0.464 18431 4067 1 9 . 1 1 96 96 THR N N 96 113.065 113.065 113.960 -0.895 18431 4068 1 9 . 1 1 96 96 THR HA H 96 4.003 4.003 4.160 -0.157 18431 4069 1 9 . 1 1 96 96 THR CA C 96 64.857 64.857 64.471 0.386 18431 4070 1 9 . 1 1 96 96 THR CB C 96 69.618 69.618 69.267 0.351 18431 4071 1 9 . 1 1 96 96 THR H H 96 7.970 7.970 7.788 0.182 18431 4072 1 9 . 1 1 97 97 TYR N N 97 118.178 118.178 118.514 -0.336 18431 4073 1 9 . 1 1 97 97 TYR HA H 97 4.717 4.717 4.447 0.270 18431 4074 1 9 . 1 1 97 97 TYR CA C 97 58.312 58.312 59.414 -1.102 18431 4075 1 9 . 1 1 97 97 TYR CB C 97 40.223 40.223 40.398 -0.175 18431 4076 1 9 . 1 1 97 97 TYR H H 97 8.438 8.438 8.162 0.276 18431 4077 1 9 . 1 1 98 98 GLY N N 98 109.735 109.735 104.400 5.335 18431 4078 1 9 . 1 1 98 98 GLY CA C 98 45.908 45.908 45.037 0.871 18431 4079 1 9 . 1 1 98 98 GLY H H 98 8.014 8.014 8.124 -0.110 18431 4080 1 9 . 1 1 99 99 SER N N 99 114.137 114.137 114.211 -0.074 18431 4081 1 9 . 1 1 99 99 SER HA H 99 4.642 4.642 4.789 -0.147 18431 4082 1 9 . 1 1 99 99 SER CA C 99 57.226 57.226 56.812 0.414 18431 4083 1 9 . 1 1 99 99 SER CB C 99 64.294 64.294 64.077 0.217 18431 4084 1 9 . 1 1 99 99 SER H H 99 7.666 7.666 7.940 -0.274 18431 4085 1 9 . 1 1 100 100 THR N N 100 110.514 110.514 112.186 -1.672 18431 4086 1 9 . 1 1 100 100 THR HA H 100 4.424 4.424 4.537 -0.113 18431 4087 1 9 . 1 1 100 100 THR CA C 100 60.964 60.964 60.451 0.513 18431 4088 1 9 . 1 1 100 100 THR CB C 100 70.303 70.303 71.114 -0.811 18431 4089 1 9 . 1 1 100 100 THR H H 100 7.899 7.899 8.021 -0.122 18431 4090 1 9 . 1 1 101 101 LEU N N 101 124.047 124.047 121.081 2.966 18431 4091 1 9 . 1 1 101 101 LEU HA H 101 4.313 4.313 4.545 -0.232 18431 4092 1 9 . 1 1 101 101 LEU CA C 101 54.930 54.930 53.876 1.054 18431 4093 1 9 . 1 1 101 101 LEU CB C 101 42.501 42.501 43.528 -1.026 18431 4094 1 9 . 1 1 101 101 LEU H H 101 8.847 8.847 8.193 0.654 18431 4095 1 9 . 1 1 102 102 LYS N N 102 124.883 124.883 121.730 3.153 18431 4096 1 9 . 1 1 102 102 LYS HA H 102 4.415 4.415 4.399 0.016 18431 4097 1 9 . 1 1 102 102 LYS CA C 102 55.588 55.588 55.952 -0.364 18431 4098 1 9 . 1 1 102 102 LYS CB C 102 32.596 32.596 32.700 -0.104 18431 4099 1 9 . 1 1 102 102 LYS H H 102 8.578 8.578 8.420 0.158 18431 4100 1 9 . 1 1 103 103 VAL N N 103 122.753 122.753 128.057 -5.304 18431 4101 1 9 . 1 1 103 103 VAL HA H 103 4.237 4.237 4.422 -0.185 18431 4102 1 9 . 1 1 103 103 VAL CA C 103 61.956 61.956 61.377 0.579 18431 4103 1 9 . 1 1 103 103 VAL CB C 103 32.747 32.747 32.052 0.695 18431 4104 1 9 . 1 1 103 103 VAL H H 103 8.348 8.348 8.562 -0.214 18431 4105 1 10 . 1 1 9 9 ALA N N 9 123.345 123.345 124.146 -0.801 18431 4106 1 10 . 1 1 9 9 ALA HA H 9 4.549 4.549 4.431 0.118 18431 4107 1 10 . 1 1 9 9 ALA CA C 9 50.151 50.151 51.446 -1.295 18431 4108 1 10 . 1 1 9 9 ALA CB C 9 18.185 18.185 18.665 -0.480 18431 4109 1 10 . 1 1 9 9 ALA H H 9 7.992 7.992 8.043 -0.051 18431 4110 1 10 . 1 1 10 10 PRO HA H 10 4.299 4.299 4.390 -0.091 18431 4111 1 10 . 1 1 10 10 PRO CA C 10 62.937 62.937 61.918 1.019 18431 4112 1 10 . 1 1 10 10 PRO CB C 10 31.902 31.902 32.532 -0.630 18431 4113 1 10 . 1 1 11 11 ASN N N 11 117.877 117.877 117.415 0.462 18431 4114 1 10 . 1 1 11 11 ASN HA H 11 4.646 4.646 4.621 0.025 18431 4115 1 10 . 1 1 11 11 ASN CA C 11 53.077 53.077 53.430 -0.353 18431 4116 1 10 . 1 1 11 11 ASN CB C 11 38.590 38.590 37.906 0.685 18431 4117 1 10 . 1 1 11 11 ASN H H 11 8.467 8.467 8.390 0.077 18431 4118 1 10 . 1 1 12 12 LEU N N 12 122.874 122.874 126.694 -3.820 18431 4119 1 10 . 1 1 12 12 LEU HA H 12 4.290 4.290 4.624 -0.334 18431 4120 1 10 . 1 1 12 12 LEU CA C 12 55.170 55.170 54.126 1.044 18431 4121 1 10 . 1 1 12 12 LEU CB C 12 42.131 42.131 43.766 -1.635 18431 4122 1 10 . 1 1 12 12 LEU H H 12 8.196 8.196 7.984 0.212 18431 4123 1 10 . 1 1 13 13 ALA N N 13 123.854 123.854 125.415 -1.561 18431 4124 1 10 . 1 1 13 13 ALA HA H 13 4.243 4.243 4.373 -0.130 18431 4125 1 10 . 1 1 13 13 ALA CA C 13 52.672 52.672 52.058 0.614 18431 4126 1 10 . 1 1 13 13 ALA CB C 13 18.923 18.923 19.283 -0.360 18431 4127 1 10 . 1 1 13 13 ALA H H 13 8.214 8.214 8.362 -0.148 18431 4128 1 10 . 1 1 14 14 GLY N N 14 107.993 107.993 104.407 3.586 18431 4129 1 10 . 1 1 14 14 GLY CA C 14 44.989 44.989 44.613 0.376 18431 4130 1 10 . 1 1 14 14 GLY H H 14 8.246 8.246 8.418 -0.172 18431 4131 1 10 . 1 1 15 15 ALA N N 15 123.594 123.594 121.511 2.083 18431 4132 1 10 . 1 1 15 15 ALA HA H 15 4.330 4.330 3.958 0.372 18431 4133 1 10 . 1 1 15 15 ALA CA C 15 52.147 52.147 52.400 -0.253 18431 4134 1 10 . 1 1 15 15 ALA CB C 15 18.941 18.941 17.218 1.723 18431 4135 1 10 . 1 1 15 15 ALA H H 15 8.017 8.017 8.069 -0.052 18431 4136 1 10 . 1 1 16 16 VAL N N 16 119.010 119.010 112.244 6.766 18431 4137 1 10 . 1 1 16 16 VAL HA H 16 4.036 4.036 3.794 0.242 18431 4138 1 10 . 1 1 16 16 VAL CA C 16 62.127 62.127 63.818 -1.691 18431 4139 1 10 . 1 1 16 16 VAL CB C 16 32.727 32.727 31.822 0.905 18431 4140 1 10 . 1 1 16 16 VAL H H 16 8.060 8.060 8.083 -0.023 18431 4141 1 10 . 1 1 17 17 GLU N N 17 124.211 124.211 119.684 4.527 18431 4142 1 10 . 1 1 17 17 GLU HA H 17 4.429 4.429 4.371 0.058 18431 4143 1 10 . 1 1 17 17 GLU CA C 17 57.429 57.429 55.079 2.350 18431 4144 1 10 . 1 1 17 17 GLU CB C 17 29.421 29.421 30.134 -0.713 18431 4145 1 10 . 1 1 17 17 GLU H H 17 8.436 8.436 7.663 0.773 18431 4146 1 10 . 1 1 18 18 PHE HA H 18 4.291 4.291 4.190 0.101 18431 4147 1 10 . 1 1 18 18 PHE CA C 18 60.955 60.955 60.719 0.236 18431 4148 1 10 . 1 1 18 18 PHE CB C 18 38.464 38.464 39.407 -0.943 18431 4149 1 10 . 1 1 19 19 SER N N 19 112.147 112.147 115.046 -2.899 18431 4150 1 10 . 1 1 19 19 SER HA H 19 3.659 3.659 3.740 -0.081 18431 4151 1 10 . 1 1 19 19 SER CA C 19 61.576 61.576 61.435 0.140 18431 4152 1 10 . 1 1 19 19 SER CB C 19 61.649 61.649 62.534 -0.885 18431 4153 1 10 . 1 1 19 19 SER H H 19 8.871 8.871 8.210 0.661 18431 4154 1 10 . 1 1 20 20 ASP N N 20 120.916 120.916 122.455 -1.539 18431 4155 1 10 . 1 1 20 20 ASP HA H 20 4.492 4.492 4.362 0.130 18431 4156 1 10 . 1 1 20 20 ASP CA C 20 56.696 56.696 56.901 -0.206 18431 4157 1 10 . 1 1 20 20 ASP CB C 20 40.543 40.543 40.535 0.008 18431 4158 1 10 . 1 1 20 20 ASP H H 20 7.019 7.019 7.502 -0.483 18431 4159 1 10 . 1 1 21 21 VAL HA H 21 3.224 3.224 3.473 -0.249 18431 4160 1 10 . 1 1 21 21 VAL CA C 21 66.801 66.801 66.390 0.411 18431 4161 1 10 . 1 1 21 21 VAL CB C 21 31.741 31.741 31.262 0.479 18431 4162 1 10 . 1 1 22 22 LYS HA H 22 3.435 3.435 3.863 -0.428 18431 4163 1 10 . 1 1 22 22 LYS CA C 22 60.282 60.282 60.286 -0.004 18431 4164 1 10 . 1 1 22 22 LYS CB C 22 31.283 31.283 31.815 -0.532 18431 4165 1 10 . 1 1 23 23 THR N N 23 116.224 116.224 117.027 -0.803 18431 4166 1 10 . 1 1 23 23 THR HA H 23 3.796 3.796 4.027 -0.231 18431 4167 1 10 . 1 1 23 23 THR CA C 23 66.591 66.591 67.463 -0.872 18431 4168 1 10 . 1 1 23 23 THR CB C 23 68.361 68.361 68.705 -0.344 18431 4169 1 10 . 1 1 23 23 THR H H 23 7.391 7.391 7.883 -0.492 18431 4170 1 10 . 1 1 24 24 LEU HA H 24 4.022 4.022 4.010 0.012 18431 4171 1 10 . 1 1 24 24 LEU CA C 24 57.911 57.911 58.189 -0.278 18431 4172 1 10 . 1 1 24 24 LEU CB C 24 42.110 42.110 41.907 0.203 18431 4173 1 10 . 1 1 24 24 LEU H H 24 7.699 7.699 8.254 -0.555 18431 4174 1 10 . 1 1 25 25 LEU N N 25 118.389 118.389 119.325 -0.936 18431 4175 1 10 . 1 1 25 25 LEU HA H 25 4.135 4.135 4.172 -0.037 18431 4176 1 10 . 1 1 25 25 LEU CA C 25 57.864 57.864 58.109 -0.245 18431 4177 1 10 . 1 1 25 25 LEU CB C 25 42.653 42.653 41.963 0.690 18431 4178 1 10 . 1 1 25 25 LEU H H 25 8.331 8.331 7.689 0.642 18431 4179 1 10 . 1 1 26 26 LYS N N 26 118.433 118.433 119.719 -1.286 18431 4180 1 10 . 1 1 26 26 LYS HA H 26 3.833 3.833 3.783 0.050 18431 4181 1 10 . 1 1 26 26 LYS CA C 26 60.095 60.095 59.309 0.786 18431 4182 1 10 . 1 1 26 26 LYS CB C 26 31.623 31.623 32.046 -0.423 18431 4183 1 10 . 1 1 26 26 LYS H H 26 8.464 8.464 8.535 -0.071 18431 4184 1 10 . 1 1 27 27 GLU N N 27 120.838 120.838 119.442 1.396 18431 4185 1 10 . 1 1 27 27 GLU HA H 27 3.945 3.945 4.224 -0.279 18431 4186 1 10 . 1 1 27 27 GLU CA C 27 59.509 59.509 58.578 0.930 18431 4187 1 10 . 1 1 27 27 GLU CB C 27 29.199 29.199 29.907 -0.708 18431 4188 1 10 . 1 1 27 27 GLU H H 27 8.246 8.246 8.425 -0.179 18431 4189 1 10 . 1 1 28 28 TRP N N 28 122.200 122.200 121.474 0.726 18431 4190 1 10 . 1 1 28 28 TRP HA H 28 4.597 4.597 4.586 0.011 18431 4191 1 10 . 1 1 28 28 TRP CA C 28 59.443 59.443 60.623 -1.180 18431 4192 1 10 . 1 1 28 28 TRP CB C 28 29.083 29.083 29.495 -0.412 18431 4193 1 10 . 1 1 28 28 TRP H H 28 8.143 8.143 8.146 -0.003 18431 4194 1 10 . 1 1 29 29 ILE N N 29 114.954 114.954 116.482 -1.528 18431 4195 1 10 . 1 1 29 29 ILE HA H 29 2.742 2.742 3.057 -0.315 18431 4196 1 10 . 1 1 29 29 ILE CA C 29 62.759 62.759 62.369 0.390 18431 4197 1 10 . 1 1 29 29 ILE CB C 29 37.992 37.992 38.146 -0.154 18431 4198 1 10 . 1 1 29 29 ILE H H 29 7.999 7.999 7.611 0.388 18431 4199 1 10 . 1 1 30 30 THR N N 30 106.869 106.869 112.114 -5.245 18431 4200 1 10 . 1 1 30 30 THR HA H 30 4.117 4.117 4.173 -0.056 18431 4201 1 10 . 1 1 30 30 THR CA C 30 63.447 63.447 64.077 -0.630 18431 4202 1 10 . 1 1 30 30 THR CB C 30 70.045 70.045 69.355 0.690 18431 4203 1 10 . 1 1 30 30 THR H H 30 7.622 7.622 7.499 0.123 18431 4204 1 10 . 1 1 31 31 THR N N 31 111.890 111.890 115.107 -3.217 18431 4205 1 10 . 1 1 31 31 THR HA H 31 4.503 4.503 4.116 0.387 18431 4206 1 10 . 1 1 31 31 THR CA C 31 63.231 63.231 64.481 -1.250 18431 4207 1 10 . 1 1 31 31 THR CB C 31 70.556 70.556 69.032 1.524 18431 4208 1 10 . 1 1 31 31 THR H H 31 7.588 7.588 8.093 -0.505 18431 4209 1 10 . 1 1 32 32 ILE N N 32 123.663 123.663 122.527 1.136 18431 4210 1 10 . 1 1 32 32 ILE HA H 32 4.499 4.499 4.295 0.204 18431 4211 1 10 . 1 1 32 32 ILE CA C 32 59.426 59.426 60.123 -0.697 18431 4212 1 10 . 1 1 32 32 ILE CB C 32 37.378 37.378 37.670 -0.292 18431 4213 1 10 . 1 1 32 32 ILE H H 32 7.929 7.929 7.573 0.356 18431 4214 1 10 . 1 1 33 33 SER N N 33 119.544 119.544 117.247 2.297 18431 4215 1 10 . 1 1 33 33 SER HA H 33 4.523 4.523 4.681 -0.158 18431 4216 1 10 . 1 1 33 33 SER CA C 33 59.189 59.189 58.554 0.635 18431 4217 1 10 . 1 1 33 33 SER CB C 33 63.838 63.838 65.123 -1.285 18431 4218 1 10 . 1 1 33 33 SER H H 33 8.418 8.418 8.670 -0.252 18431 4219 1 10 . 1 1 34 34 ASP HA H 34 4.821 4.821 4.837 -0.016 18431 4220 1 10 . 1 1 34 34 ASP CA C 34 51.168 51.168 51.668 -0.500 18431 4221 1 10 . 1 1 34 34 ASP CB C 34 41.139 41.139 41.381 -0.242 18431 4222 1 10 . 1 1 34 34 ASP H H 34 7.730 7.730 8.219 -0.489 18431 4223 1 10 . 1 1 35 35 PRO HA H 35 4.167 4.167 4.328 -0.161 18431 4224 1 10 . 1 1 35 35 PRO CA C 35 62.085 62.085 62.716 -0.631 18431 4225 1 10 . 1 1 35 35 PRO CB C 35 31.767 31.767 31.703 0.064 18431 4226 1 10 . 1 1 36 36 MET N N 36 121.309 121.309 122.893 -1.584 18431 4227 1 10 . 1 1 36 36 MET HA H 36 4.565 4.565 4.619 -0.054 18431 4228 1 10 . 1 1 36 36 MET CA C 36 53.867 53.867 54.536 -0.669 18431 4229 1 10 . 1 1 36 36 MET CB C 36 32.411 32.411 34.983 -2.572 18431 4230 1 10 . 1 1 36 36 MET H H 36 9.165 9.165 8.813 0.352 18431 4231 1 10 . 1 1 37 37 GLU N N 37 125.284 125.284 120.317 4.967 18431 4232 1 10 . 1 1 37 37 GLU HA H 37 3.744 3.744 3.946 -0.202 18431 4233 1 10 . 1 1 37 37 GLU CA C 37 60.307 60.307 59.599 0.709 18431 4234 1 10 . 1 1 37 37 GLU CB C 37 29.448 29.448 28.913 0.535 18431 4235 1 10 . 1 1 37 37 GLU H H 37 9.034 9.034 8.911 0.123 18431 4236 1 10 . 1 1 38 38 GLU N N 38 116.000 116.000 118.413 -2.413 18431 4237 1 10 . 1 1 38 38 GLU HA H 38 4.003 4.003 4.028 -0.025 18431 4238 1 10 . 1 1 38 38 GLU CA C 38 59.588 59.588 59.229 0.359 18431 4239 1 10 . 1 1 38 38 GLU CB C 38 29.280 29.280 28.989 0.291 18431 4240 1 10 . 1 1 38 38 GLU H H 38 9.356 9.356 8.779 0.577 18431 4241 1 10 . 1 1 39 39 ASP N N 39 118.974 118.974 119.126 -0.152 18431 4242 1 10 . 1 1 39 39 ASP HA H 39 4.493 4.493 4.472 0.021 18431 4243 1 10 . 1 1 39 39 ASP CA C 39 57.231 57.231 56.154 1.077 18431 4244 1 10 . 1 1 39 39 ASP CB C 39 41.226 41.226 40.555 0.671 18431 4245 1 10 . 1 1 39 39 ASP H H 39 7.169 7.169 7.753 -0.584 18431 4246 1 10 . 1 1 40 40 ILE N N 40 120.269 120.269 120.243 0.026 18431 4247 1 10 . 1 1 40 40 ILE HA H 40 3.845 3.845 3.982 -0.137 18431 4248 1 10 . 1 1 40 40 ILE CA C 40 65.345 65.345 64.990 0.355 18431 4249 1 10 . 1 1 40 40 ILE CB C 40 37.500 37.500 38.211 -0.711 18431 4250 1 10 . 1 1 40 40 ILE H H 40 7.766 7.766 7.798 -0.032 18431 4251 1 10 . 1 1 41 41 LEU N N 41 118.715 118.715 119.533 -0.818 18431 4252 1 10 . 1 1 41 41 LEU HA H 41 4.131 4.131 4.106 0.025 18431 4253 1 10 . 1 1 41 41 LEU CA C 41 57.835 57.835 57.491 0.344 18431 4254 1 10 . 1 1 41 41 LEU CB C 41 40.819 40.819 41.614 -0.794 18431 4255 1 10 . 1 1 41 41 LEU H H 41 8.726 8.726 8.287 0.439 18431 4256 1 10 . 1 1 42 42 GLN N N 42 119.539 119.539 118.678 0.861 18431 4257 1 10 . 1 1 42 42 GLN HA H 42 4.177 4.177 4.080 0.097 18431 4258 1 10 . 1 1 42 42 GLN CA C 42 59.241 59.241 58.516 0.725 18431 4259 1 10 . 1 1 42 42 GLN CB C 42 28.518 28.518 28.222 0.296 18431 4260 1 10 . 1 1 42 42 GLN H H 42 7.768 7.768 7.585 0.183 18431 4261 1 10 . 1 1 43 43 VAL N N 43 121.194 121.194 115.507 5.687 18431 4262 1 10 . 1 1 43 43 VAL HA H 43 3.787 3.787 3.764 0.023 18431 4263 1 10 . 1 1 43 43 VAL CA C 43 66.760 66.760 65.737 1.022 18431 4264 1 10 . 1 1 43 43 VAL CB C 43 31.423 31.423 31.194 0.229 18431 4265 1 10 . 1 1 43 43 VAL H H 43 7.712 7.712 7.350 0.362 18431 4266 1 10 . 1 1 44 44 VAL N N 44 120.876 120.876 120.071 0.805 18431 4267 1 10 . 1 1 44 44 VAL HA H 44 3.422 3.422 3.897 -0.475 18431 4268 1 10 . 1 1 44 44 VAL CA C 44 67.910 67.910 65.573 2.337 18431 4269 1 10 . 1 1 44 44 VAL CB C 44 31.392 31.392 30.800 0.592 18431 4270 1 10 . 1 1 44 44 VAL H H 44 8.232 8.232 7.500 0.732 18431 4271 1 10 . 1 1 45 45 ARG N N 45 120.934 120.934 121.051 -0.117 18431 4272 1 10 . 1 1 45 45 ARG HA H 45 4.148 4.148 4.089 0.059 18431 4273 1 10 . 1 1 45 45 ARG CA C 45 58.593 58.593 58.187 0.406 18431 4274 1 10 . 1 1 45 45 ARG CB C 45 29.608 29.608 29.269 0.339 18431 4275 1 10 . 1 1 45 45 ARG H H 45 8.489 8.489 7.834 0.655 18431 4276 1 10 . 1 1 46 46 TYR N N 46 120.548 120.548 120.912 -0.364 18431 4277 1 10 . 1 1 46 46 TYR HA H 46 4.547 4.547 4.346 0.201 18431 4278 1 10 . 1 1 46 46 TYR CA C 46 60.926 60.926 61.048 -0.122 18431 4279 1 10 . 1 1 46 46 TYR CB C 46 38.447 38.447 38.354 0.093 18431 4280 1 10 . 1 1 46 46 TYR H H 46 7.870 7.870 7.802 0.068 18431 4281 1 10 . 1 1 47 47 CYS N N 47 115.132 115.132 117.394 -2.262 18431 4282 1 10 . 1 1 47 47 CYS HA H 47 3.738 3.738 3.833 -0.095 18431 4283 1 10 . 1 1 47 47 CYS CA C 47 64.313 64.313 63.257 1.056 18431 4284 1 10 . 1 1 47 47 CYS CB C 47 27.744 27.744 27.795 -0.051 18431 4285 1 10 . 1 1 47 47 CYS H H 47 8.109 8.109 7.756 0.353 18431 4286 1 10 . 1 1 48 48 THR N N 48 114.153 114.153 116.713 -2.560 18431 4287 1 10 . 1 1 48 48 THR HA H 48 3.877 3.877 4.052 -0.175 18431 4288 1 10 . 1 1 48 48 THR CA C 48 66.755 66.755 67.230 -0.475 18431 4289 1 10 . 1 1 48 48 THR CB C 48 67.593 67.593 68.549 -0.956 18431 4290 1 10 . 1 1 48 48 THR H H 48 8.776 8.776 7.964 0.812 18431 4291 1 10 . 1 1 49 49 ASP N N 49 126.528 126.528 121.695 4.833 18431 4292 1 10 . 1 1 49 49 ASP HA H 49 4.425 4.425 4.460 -0.035 18431 4293 1 10 . 1 1 49 49 ASP CA C 49 57.688 57.688 56.927 0.761 18431 4294 1 10 . 1 1 49 49 ASP CB C 49 39.249 39.249 40.498 -1.250 18431 4295 1 10 . 1 1 49 49 ASP H H 49 8.697 8.697 8.071 0.626 18431 4296 1 10 . 1 1 50 50 LEU HA H 50 3.924 3.924 3.947 -0.023 18431 4297 1 10 . 1 1 50 50 LEU CA C 50 58.157 58.157 57.683 0.474 18431 4298 1 10 . 1 1 50 50 LEU CB C 50 41.408 41.408 41.933 -0.525 18431 4299 1 10 . 1 1 51 51 ILE N N 51 118.832 118.832 117.922 0.910 18431 4300 1 10 . 1 1 51 51 ILE HA H 51 3.417 3.417 3.711 -0.294 18431 4301 1 10 . 1 1 51 51 ILE CA C 51 66.261 66.261 65.125 1.136 18431 4302 1 10 . 1 1 51 51 ILE CB C 51 37.691 37.691 37.391 0.300 18431 4303 1 10 . 1 1 51 51 ILE H H 51 7.639 7.639 7.469 0.170 18431 4304 1 10 . 1 1 52 52 GLU N N 52 123.247 123.247 119.336 3.911 18431 4305 1 10 . 1 1 52 52 GLU HA H 52 4.001 4.001 4.124 -0.123 18431 4306 1 10 . 1 1 52 52 GLU CA C 52 59.592 59.592 58.764 0.828 18431 4307 1 10 . 1 1 52 52 GLU CB C 52 29.068 29.068 29.570 -0.502 18431 4308 1 10 . 1 1 52 52 GLU H H 52 8.506 8.506 7.895 0.611 18431 4309 1 10 . 1 1 53 53 GLU N N 53 116.384 116.384 116.144 0.240 18431 4310 1 10 . 1 1 53 53 GLU HA H 53 4.294 4.294 4.447 -0.153 18431 4311 1 10 . 1 1 53 53 GLU CA C 53 55.907 55.907 55.839 0.069 18431 4312 1 10 . 1 1 53 53 GLU CB C 53 29.710 29.710 29.555 0.155 18431 4313 1 10 . 1 1 53 53 GLU H H 53 7.716 7.716 7.727 -0.011 18431 4314 1 10 . 1 1 54 54 LYS N N 54 116.934 116.934 114.673 2.261 18431 4315 1 10 . 1 1 54 54 LYS HA H 54 3.662 3.662 3.945 -0.283 18431 4316 1 10 . 1 1 54 54 LYS CA C 54 57.278 57.278 57.901 -0.623 18431 4317 1 10 . 1 1 54 54 LYS CB C 54 29.785 29.785 30.115 -0.330 18431 4318 1 10 . 1 1 54 54 LYS H H 54 8.089 8.089 7.505 0.584 18431 4319 1 10 . 1 1 55 55 ASP N N 55 122.549 122.549 119.376 3.173 18431 4320 1 10 . 1 1 55 55 ASP HA H 55 5.058 5.058 4.785 0.273 18431 4321 1 10 . 1 1 55 55 ASP CA C 55 51.306 51.306 53.397 -2.091 18431 4322 1 10 . 1 1 55 55 ASP CB C 55 38.856 38.856 40.411 -1.555 18431 4323 1 10 . 1 1 55 55 ASP H H 55 8.497 8.497 8.326 0.171 18431 4324 1 10 . 1 1 56 56 LEU N N 56 119.627 119.627 117.248 2.379 18431 4325 1 10 . 1 1 56 56 LEU HA H 56 3.901 3.901 4.366 -0.465 18431 4326 1 10 . 1 1 56 56 LEU CA C 56 56.528 56.528 55.024 1.504 18431 4327 1 10 . 1 1 56 56 LEU CB C 56 40.034 40.034 40.334 -0.300 18431 4328 1 10 . 1 1 56 56 LEU H H 56 7.578 7.578 8.005 -0.427 18431 4329 1 10 . 1 1 57 57 GLU N N 57 121.433 121.433 121.251 0.182 18431 4330 1 10 . 1 1 57 57 GLU HA H 57 4.041 4.041 3.856 0.185 18431 4331 1 10 . 1 1 57 57 GLU CA C 57 59.321 59.321 59.738 -0.417 18431 4332 1 10 . 1 1 57 57 GLU CB C 57 29.229 29.229 29.016 0.213 18431 4333 1 10 . 1 1 57 57 GLU H H 57 8.614 8.614 8.439 0.175 18431 4334 1 10 . 1 1 58 58 LYS N N 58 119.832 119.832 117.725 2.107 18431 4335 1 10 . 1 1 58 58 LYS HA H 58 3.760 3.760 3.947 -0.187 18431 4336 1 10 . 1 1 58 58 LYS CA C 58 59.273 59.273 58.829 0.444 18431 4337 1 10 . 1 1 58 58 LYS CB C 58 32.370 32.370 32.249 0.121 18431 4338 1 10 . 1 1 58 58 LYS H H 58 7.527 7.527 7.633 -0.106 18431 4339 1 10 . 1 1 59 59 LEU N N 59 117.844 117.844 121.569 -3.725 18431 4340 1 10 . 1 1 59 59 LEU HA H 59 3.912 3.912 4.051 -0.139 18431 4341 1 10 . 1 1 59 59 LEU CA C 59 57.865 57.865 57.911 -0.046 18431 4342 1 10 . 1 1 59 59 LEU CB C 59 41.382 41.382 41.553 -0.171 18431 4343 1 10 . 1 1 59 59 LEU H H 59 7.570 7.570 7.688 -0.118 18431 4344 1 10 . 1 1 60 60 ASP N N 60 117.630 117.630 118.383 -0.753 18431 4345 1 10 . 1 1 60 60 ASP HA H 60 4.273 4.273 4.318 -0.045 18431 4346 1 10 . 1 1 60 60 ASP CA C 60 57.695 57.695 57.270 0.425 18431 4347 1 10 . 1 1 60 60 ASP CB C 60 42.074 42.074 40.805 1.269 18431 4348 1 10 . 1 1 60 60 ASP H H 60 7.849 7.849 8.135 -0.286 18431 4349 1 10 . 1 1 61 61 LEU N N 61 116.500 116.500 118.493 -1.993 18431 4350 1 10 . 1 1 61 61 LEU HA H 61 3.924 3.924 4.161 -0.237 18431 4351 1 10 . 1 1 61 61 LEU CA C 61 57.886 57.886 57.075 0.811 18431 4352 1 10 . 1 1 61 61 LEU CB C 61 41.825 41.825 41.632 0.193 18431 4353 1 10 . 1 1 61 61 LEU H H 61 7.484 7.484 7.493 -0.009 18431 4354 1 10 . 1 1 62 62 VAL N N 62 120.681 120.681 119.385 1.296 18431 4355 1 10 . 1 1 62 62 VAL HA H 62 3.963 3.963 3.978 -0.015 18431 4356 1 10 . 1 1 62 62 VAL CA C 62 66.843 66.843 66.315 0.528 18431 4357 1 10 . 1 1 62 62 VAL CB C 62 31.954 31.954 31.260 0.694 18431 4358 1 10 . 1 1 62 62 VAL H H 62 8.682 8.682 7.486 1.196 18431 4359 1 10 . 1 1 63 63 ILE N N 63 122.448 122.448 118.014 4.434 18431 4360 1 10 . 1 1 63 63 ILE HA H 63 3.995 3.995 3.840 0.155 18431 4361 1 10 . 1 1 63 63 ILE CA C 63 63.777 63.777 64.231 -0.453 18431 4362 1 10 . 1 1 63 63 ILE CB C 63 35.707 35.707 36.407 -0.700 18431 4363 1 10 . 1 1 63 63 ILE H H 63 8.824 8.824 8.248 0.576 18431 4364 1 10 . 1 1 64 64 LYS N N 64 118.898 118.898 118.899 -0.001 18431 4365 1 10 . 1 1 64 64 LYS HA H 64 3.889 3.889 4.159 -0.270 18431 4366 1 10 . 1 1 64 64 LYS CA C 64 60.416 60.416 58.739 1.677 18431 4367 1 10 . 1 1 64 64 LYS CB C 64 32.563 32.563 31.801 0.762 18431 4368 1 10 . 1 1 64 64 LYS H H 64 8.368 8.368 7.697 0.671 18431 4369 1 10 . 1 1 65 65 TYR N N 65 121.217 121.217 122.169 -0.952 18431 4370 1 10 . 1 1 65 65 TYR HA H 65 4.330 4.330 4.370 -0.040 18431 4371 1 10 . 1 1 65 65 TYR CA C 65 61.779 61.779 60.820 0.959 18431 4372 1 10 . 1 1 65 65 TYR CB C 65 38.898 38.898 38.761 0.137 18431 4373 1 10 . 1 1 65 65 TYR H H 65 8.200 8.200 7.791 0.409 18431 4374 1 10 . 1 1 66 66 MET N N 66 116.741 116.741 118.459 -1.718 18431 4375 1 10 . 1 1 66 66 MET HA H 66 3.682 3.682 3.989 -0.307 18431 4376 1 10 . 1 1 66 66 MET CA C 66 60.444 60.444 59.066 1.378 18431 4377 1 10 . 1 1 66 66 MET CB C 66 33.627 33.627 33.107 0.520 18431 4378 1 10 . 1 1 66 66 MET H H 66 8.681 8.681 8.568 0.113 18431 4379 1 10 . 1 1 67 67 LYS N N 67 119.826 119.826 118.481 1.345 18431 4380 1 10 . 1 1 67 67 LYS HA H 67 2.637 2.637 3.241 -0.604 18431 4381 1 10 . 1 1 67 67 LYS CA C 67 59.949 59.949 58.911 1.038 18431 4382 1 10 . 1 1 67 67 LYS CB C 67 32.596 32.596 31.716 0.880 18431 4383 1 10 . 1 1 67 67 LYS H H 67 8.563 8.563 8.090 0.473 18431 4384 1 10 . 1 1 68 68 ARG N N 68 116.343 116.343 118.468 -2.125 18431 4385 1 10 . 1 1 68 68 ARG HA H 68 3.859 3.859 4.115 -0.256 18431 4386 1 10 . 1 1 68 68 ARG CA C 68 58.254 58.254 58.196 0.058 18431 4387 1 10 . 1 1 68 68 ARG CB C 68 29.605 29.605 29.856 -0.251 18431 4388 1 10 . 1 1 68 68 ARG H H 68 7.117 7.117 7.570 -0.453 18431 4389 1 10 . 1 1 69 69 LEU N N 69 116.573 116.573 120.917 -4.344 18431 4390 1 10 . 1 1 69 69 LEU HA H 69 3.847 3.847 3.994 -0.147 18431 4391 1 10 . 1 1 69 69 LEU CA C 69 56.861 56.861 56.760 0.101 18431 4392 1 10 . 1 1 69 69 LEU CB C 69 42.950 42.950 42.276 0.674 18431 4393 1 10 . 1 1 69 69 LEU H H 69 7.360 7.360 7.271 0.089 18431 4394 1 10 . 1 1 70 70 MET N N 70 115.874 115.874 115.630 0.244 18431 4395 1 10 . 1 1 70 70 MET HA H 70 3.823 3.823 3.928 -0.105 18431 4396 1 10 . 1 1 70 70 MET CA C 70 59.195 59.195 58.066 1.129 18431 4397 1 10 . 1 1 70 70 MET CB C 70 32.315 32.315 31.914 0.401 18431 4398 1 10 . 1 1 70 70 MET H H 70 8.769 8.769 8.037 0.732 18431 4399 1 10 . 1 1 71 71 GLN N N 71 114.286 114.286 116.417 -2.131 18431 4400 1 10 . 1 1 71 71 GLN HA H 71 4.416 4.416 4.029 0.387 18431 4401 1 10 . 1 1 71 71 GLN CA C 71 56.527 56.527 58.620 -2.092 18431 4402 1 10 . 1 1 71 71 GLN CB C 71 27.446 27.446 28.662 -1.216 18431 4403 1 10 . 1 1 71 71 GLN H H 71 7.522 7.522 7.608 -0.086 18431 4404 1 10 . 1 1 72 72 GLN N N 72 117.645 117.645 116.097 1.548 18431 4405 1 10 . 1 1 72 72 GLN HA H 72 4.198 4.198 4.076 0.122 18431 4406 1 10 . 1 1 72 72 GLN CA C 72 56.549 56.549 56.818 -0.269 18431 4407 1 10 . 1 1 72 72 GLN CB C 72 28.824 28.824 28.615 0.209 18431 4408 1 10 . 1 1 72 72 GLN H H 72 7.279 7.279 7.518 -0.239 18431 4409 1 10 . 1 1 73 73 SER N N 73 113.600 113.600 115.716 -2.116 18431 4410 1 10 . 1 1 73 73 SER HA H 73 4.504 4.504 4.336 0.168 18431 4411 1 10 . 1 1 73 73 SER CA C 73 57.600 57.600 58.850 -1.250 18431 4412 1 10 . 1 1 73 73 SER CB C 73 63.542 63.542 64.034 -0.492 18431 4413 1 10 . 1 1 73 73 SER H H 73 7.588 7.588 7.303 0.285 18431 4414 1 10 . 1 1 74 74 VAL N N 74 121.652 121.652 122.162 -0.510 18431 4415 1 10 . 1 1 74 74 VAL HA H 74 4.136 4.136 4.153 -0.017 18431 4416 1 10 . 1 1 74 74 VAL CA C 74 62.985 62.985 62.773 0.212 18431 4417 1 10 . 1 1 74 74 VAL CB C 74 31.797 31.797 32.706 -0.909 18431 4418 1 10 . 1 1 74 74 VAL H H 74 8.300 8.300 8.367 -0.067 18431 4419 1 10 . 1 1 75 75 GLU N N 75 120.481 120.481 121.115 -0.634 18431 4420 1 10 . 1 1 75 75 GLU HA H 75 4.415 4.415 4.333 0.082 18431 4421 1 10 . 1 1 75 75 GLU CA C 75 56.061 56.061 57.271 -1.210 18431 4422 1 10 . 1 1 75 75 GLU CB C 75 29.153 29.153 29.840 -0.687 18431 4423 1 10 . 1 1 75 75 GLU H H 75 8.486 8.486 8.311 0.175 18431 4424 1 10 . 1 1 76 76 SER HA H 76 4.498 4.498 4.151 0.347 18431 4425 1 10 . 1 1 76 76 SER CA C 76 59.426 59.426 61.466 -2.040 18431 4426 1 10 . 1 1 76 76 SER CB C 76 64.071 64.071 63.175 0.896 18431 4427 1 10 . 1 1 76 76 SER H H 76 8.142 8.142 8.848 -0.706 18431 4428 1 10 . 1 1 77 77 VAL N N 77 122.712 122.712 121.032 1.680 18431 4429 1 10 . 1 1 77 77 VAL HA H 77 4.036 4.036 3.685 0.351 18431 4430 1 10 . 1 1 77 77 VAL CA C 77 64.600 64.600 65.739 -1.139 18431 4431 1 10 . 1 1 77 77 VAL CB C 77 30.843 30.843 31.450 -0.607 18431 4432 1 10 . 1 1 77 77 VAL H H 77 8.750 8.750 7.897 0.853 18431 4433 1 10 . 1 1 78 78 TRP N N 78 121.247 121.247 118.945 2.302 18431 4434 1 10 . 1 1 78 78 TRP HA H 78 4.507 4.507 4.378 0.129 18431 4435 1 10 . 1 1 78 78 TRP CA C 78 59.753 59.753 60.112 -0.359 18431 4436 1 10 . 1 1 78 78 TRP CB C 78 29.332 29.332 29.436 -0.104 18431 4437 1 10 . 1 1 78 78 TRP H H 78 7.837 7.837 7.455 0.382 18431 4438 1 10 . 1 1 79 79 ASN N N 79 119.032 119.032 117.453 1.579 18431 4439 1 10 . 1 1 79 79 ASN HA H 79 4.382 4.382 4.485 -0.103 18431 4440 1 10 . 1 1 79 79 ASN CA C 79 57.406 57.406 56.903 0.503 18431 4441 1 10 . 1 1 79 79 ASN CB C 79 38.813 38.813 38.473 0.340 18431 4442 1 10 . 1 1 79 79 ASN H H 79 7.856 7.856 8.155 -0.299 18431 4443 1 10 . 1 1 80 80 MET N N 80 117.280 117.280 118.071 -0.791 18431 4444 1 10 . 1 1 80 80 MET HA H 80 4.383 4.383 4.357 0.026 18431 4445 1 10 . 1 1 80 80 MET CA C 80 58.111 58.111 58.448 -0.337 18431 4446 1 10 . 1 1 80 80 MET CB C 80 32.350 32.350 32.386 -0.036 18431 4447 1 10 . 1 1 80 80 MET H H 80 7.765 7.765 8.634 -0.869 18431 4448 1 10 . 1 1 81 81 ALA N N 81 123.582 123.582 123.597 -0.015 18431 4449 1 10 . 1 1 81 81 ALA HA H 81 4.220 4.220 4.189 0.030 18431 4450 1 10 . 1 1 81 81 ALA CA C 81 54.997 54.997 55.153 -0.156 18431 4451 1 10 . 1 1 81 81 ALA CB C 81 17.615 17.615 17.970 -0.355 18431 4452 1 10 . 1 1 81 81 ALA H H 81 8.019 8.019 7.590 0.429 18431 4453 1 10 . 1 1 82 82 PHE N N 82 117.853 117.853 119.741 -1.888 18431 4454 1 10 . 1 1 82 82 PHE HA H 82 4.201 4.201 4.243 -0.042 18431 4455 1 10 . 1 1 82 82 PHE CA C 82 62.679 62.679 60.465 2.214 18431 4456 1 10 . 1 1 82 82 PHE CB C 82 38.078 38.078 38.846 -0.768 18431 4457 1 10 . 1 1 82 82 PHE H H 82 8.455 8.455 8.400 0.055 18431 4458 1 10 . 1 1 83 83 ASP N N 83 118.244 118.244 119.091 -0.847 18431 4459 1 10 . 1 1 83 83 ASP HA H 83 4.250 4.250 3.994 0.256 18431 4460 1 10 . 1 1 83 83 ASP CA C 83 57.602 57.602 58.055 -0.453 18431 4461 1 10 . 1 1 83 83 ASP CB C 83 40.117 40.117 40.694 -0.577 18431 4462 1 10 . 1 1 83 83 ASP H H 83 7.615 7.615 7.959 -0.344 18431 4463 1 10 . 1 1 84 84 PHE N N 84 120.090 120.090 119.686 0.404 18431 4464 1 10 . 1 1 84 84 PHE HA H 84 4.319 4.319 4.297 0.022 18431 4465 1 10 . 1 1 84 84 PHE CA C 84 61.110 61.110 60.937 0.173 18431 4466 1 10 . 1 1 84 84 PHE CB C 84 39.225 39.225 39.574 -0.349 18431 4467 1 10 . 1 1 84 84 PHE H H 84 7.849 7.849 7.395 0.454 18431 4468 1 10 . 1 1 85 85 ILE N N 85 122.915 122.915 120.014 2.901 18431 4469 1 10 . 1 1 85 85 ILE HA H 85 3.372 3.372 3.562 -0.190 18431 4470 1 10 . 1 1 85 85 ILE CA C 85 65.864 65.864 65.937 -0.073 18431 4471 1 10 . 1 1 85 85 ILE CB C 85 38.422 38.422 38.003 0.419 18431 4472 1 10 . 1 1 85 85 ILE H H 85 8.687 8.687 8.821 -0.134 18431 4473 1 10 . 1 1 86 86 LEU N N 86 119.481 119.481 117.793 1.688 18431 4474 1 10 . 1 1 86 86 LEU HA H 86 3.715 3.715 3.929 -0.214 18431 4475 1 10 . 1 1 86 86 LEU CA C 86 57.875 57.875 58.255 -0.380 18431 4476 1 10 . 1 1 86 86 LEU CB C 86 40.602 40.602 40.727 -0.126 18431 4477 1 10 . 1 1 86 86 LEU H H 86 8.682 8.682 8.236 0.446 18431 4478 1 10 . 1 1 87 87 ASP N N 87 118.290 118.290 119.149 -0.859 18431 4479 1 10 . 1 1 87 87 ASP HA H 87 4.255 4.255 4.219 0.036 18431 4480 1 10 . 1 1 87 87 ASP CA C 87 57.604 57.604 57.254 0.350 18431 4481 1 10 . 1 1 87 87 ASP CB C 87 40.580 40.580 40.550 0.030 18431 4482 1 10 . 1 1 87 87 ASP H H 87 8.301 8.301 7.691 0.610 18431 4483 1 10 . 1 1 88 88 ASN N N 88 115.606 115.606 117.831 -2.225 18431 4484 1 10 . 1 1 88 88 ASN HA H 88 4.139 4.139 4.338 -0.199 18431 4485 1 10 . 1 1 88 88 ASN CA C 88 57.067 57.067 56.133 0.934 18431 4486 1 10 . 1 1 88 88 ASN CB C 88 39.734 39.734 38.891 0.843 18431 4487 1 10 . 1 1 88 88 ASN H H 88 7.421 7.421 7.836 -0.415 18431 4488 1 10 . 1 1 89 89 VAL N N 89 120.092 120.092 117.657 2.435 18431 4489 1 10 . 1 1 89 89 VAL HA H 89 3.421 3.421 3.927 -0.506 18431 4490 1 10 . 1 1 89 89 VAL CA C 89 66.777 66.777 65.219 1.558 18431 4491 1 10 . 1 1 89 89 VAL CB C 89 31.592 31.592 31.394 0.198 18431 4492 1 10 . 1 1 89 89 VAL H H 89 8.367 8.367 7.717 0.650 18431 4493 1 10 . 1 1 90 90 GLN N N 90 118.315 118.315 118.269 0.046 18431 4494 1 10 . 1 1 90 90 GLN HA H 90 4.427 4.427 4.105 0.322 18431 4495 1 10 . 1 1 90 90 GLN CA C 90 58.918 58.918 58.394 0.524 18431 4496 1 10 . 1 1 90 90 GLN CB C 90 28.471 28.471 28.679 -0.208 18431 4497 1 10 . 1 1 90 90 GLN H H 90 8.780 8.780 8.162 0.618 18431 4498 1 10 . 1 1 91 91 VAL N N 91 118.757 118.757 120.732 -1.975 18431 4499 1 10 . 1 1 91 91 VAL HA H 91 3.720 3.720 3.641 0.079 18431 4500 1 10 . 1 1 91 91 VAL CA C 91 66.303 66.303 66.249 0.054 18431 4501 1 10 . 1 1 91 91 VAL CB C 91 31.641 31.641 32.004 -0.363 18431 4502 1 10 . 1 1 91 91 VAL H H 91 7.640 7.640 7.676 -0.036 18431 4503 1 10 . 1 1 92 92 VAL N N 92 120.289 120.289 119.773 0.516 18431 4504 1 10 . 1 1 92 92 VAL HA H 92 3.728 3.728 3.635 0.093 18431 4505 1 10 . 1 1 92 92 VAL CA C 92 66.270 66.270 66.187 0.083 18431 4506 1 10 . 1 1 92 92 VAL CB C 92 31.354 31.354 32.028 -0.674 18431 4507 1 10 . 1 1 92 92 VAL H H 92 7.382 7.382 7.719 -0.337 18431 4508 1 10 . 1 1 93 93 LEU N N 93 123.817 123.817 117.013 6.804 18431 4509 1 10 . 1 1 93 93 LEU HA H 93 4.038 4.038 4.268 -0.230 18431 4510 1 10 . 1 1 93 93 LEU CA C 93 58.777 58.777 57.779 0.998 18431 4511 1 10 . 1 1 93 93 LEU CB C 93 41.790 41.790 41.515 0.275 18431 4512 1 10 . 1 1 93 93 LEU H H 93 8.813 8.813 7.484 1.329 18431 4513 1 10 . 1 1 94 94 GLN N N 94 119.660 119.660 119.521 0.139 18431 4514 1 10 . 1 1 94 94 GLN HA H 94 3.990 3.990 4.292 -0.302 18431 4515 1 10 . 1 1 94 94 GLN CA C 94 58.977 58.977 58.554 0.423 18431 4516 1 10 . 1 1 94 94 GLN CB C 94 28.270 28.270 28.459 -0.189 18431 4517 1 10 . 1 1 94 94 GLN H H 94 8.469 8.469 7.783 0.686 18431 4518 1 10 . 1 1 95 95 GLN N N 95 117.593 117.593 117.124 0.469 18431 4519 1 10 . 1 1 95 95 GLN HA H 95 4.068 4.068 4.161 -0.093 18431 4520 1 10 . 1 1 95 95 GLN CA C 95 57.991 57.991 58.165 -0.174 18431 4521 1 10 . 1 1 95 95 GLN CB C 95 28.548 28.548 28.758 -0.210 18431 4522 1 10 . 1 1 95 95 GLN H H 95 8.088 8.088 7.700 0.388 18431 4523 1 10 . 1 1 96 96 THR N N 96 113.065 113.065 112.312 0.753 18431 4524 1 10 . 1 1 96 96 THR HA H 96 4.003 4.003 4.138 -0.135 18431 4525 1 10 . 1 1 96 96 THR CA C 96 64.857 64.857 64.064 0.793 18431 4526 1 10 . 1 1 96 96 THR CB C 96 69.618 69.618 69.238 0.380 18431 4527 1 10 . 1 1 96 96 THR H H 96 7.970 7.970 7.671 0.299 18431 4528 1 10 . 1 1 97 97 TYR N N 97 118.178 118.178 118.394 -0.216 18431 4529 1 10 . 1 1 97 97 TYR HA H 97 4.717 4.717 4.575 0.142 18431 4530 1 10 . 1 1 97 97 TYR CA C 97 58.312 58.312 59.658 -1.346 18431 4531 1 10 . 1 1 97 97 TYR CB C 97 40.223 40.223 39.801 0.422 18431 4532 1 10 . 1 1 97 97 TYR H H 97 8.438 8.438 8.415 0.023 18431 4533 1 10 . 1 1 98 98 GLY N N 98 109.735 109.735 105.004 4.731 18431 4534 1 10 . 1 1 98 98 GLY CA C 98 45.908 45.908 45.072 0.836 18431 4535 1 10 . 1 1 98 98 GLY H H 98 8.014 8.014 8.161 -0.147 18431 4536 1 10 . 1 1 99 99 SER N N 99 114.137 114.137 113.749 0.388 18431 4537 1 10 . 1 1 99 99 SER HA H 99 4.642 4.642 4.745 -0.103 18431 4538 1 10 . 1 1 99 99 SER CA C 99 57.226 57.226 56.590 0.636 18431 4539 1 10 . 1 1 99 99 SER CB C 99 64.294 64.294 65.631 -1.337 18431 4540 1 10 . 1 1 99 99 SER H H 99 7.666 7.666 7.864 -0.198 18431 4541 1 10 . 1 1 100 100 THR N N 100 110.514 110.514 111.167 -0.653 18431 4542 1 10 . 1 1 100 100 THR HA H 100 4.424 4.424 4.551 -0.127 18431 4543 1 10 . 1 1 100 100 THR CA C 100 60.964 60.964 60.328 0.637 18431 4544 1 10 . 1 1 100 100 THR CB C 100 70.303 70.303 71.008 -0.705 18431 4545 1 10 . 1 1 100 100 THR H H 100 7.899 7.899 7.929 -0.030 18431 4546 1 10 . 1 1 101 101 LEU N N 101 124.047 124.047 122.291 1.756 18431 4547 1 10 . 1 1 101 101 LEU HA H 101 4.313 4.313 4.352 -0.039 18431 4548 1 10 . 1 1 101 101 LEU CA C 101 54.930 54.930 54.900 0.030 18431 4549 1 10 . 1 1 101 101 LEU CB C 101 42.501 42.501 42.688 -0.187 18431 4550 1 10 . 1 1 101 101 LEU H H 101 8.847 8.847 8.275 0.572 18431 4551 1 10 . 1 1 102 102 LYS N N 102 124.883 124.883 121.073 3.810 18431 4552 1 10 . 1 1 102 102 LYS HA H 102 4.415 4.415 4.343 0.072 18431 4553 1 10 . 1 1 102 102 LYS CA C 102 55.588 55.588 55.701 -0.113 18431 4554 1 10 . 1 1 102 102 LYS CB C 102 32.596 32.596 32.784 -0.188 18431 4555 1 10 . 1 1 102 102 LYS H H 102 8.578 8.578 8.297 0.281 18431 4556 1 10 . 1 1 103 103 VAL N N 103 122.753 122.753 126.617 -3.864 18431 4557 1 10 . 1 1 103 103 VAL HA H 103 4.237 4.237 4.440 -0.203 18431 4558 1 10 . 1 1 103 103 VAL CA C 103 61.956 61.956 61.706 0.249 18431 4559 1 10 . 1 1 103 103 VAL CB C 103 32.747 32.747 31.855 0.892 18431 4560 1 10 . 1 1 103 103 VAL H H 103 8.348 8.348 8.479 -0.131 18431 4561 1 11 . 1 1 9 9 ALA N N 9 123.345 123.345 126.550 -3.205 18431 4562 1 11 . 1 1 9 9 ALA HA H 9 4.549 4.549 4.433 0.116 18431 4563 1 11 . 1 1 9 9 ALA CA C 9 50.151 50.151 51.217 -1.066 18431 4564 1 11 . 1 1 9 9 ALA CB C 9 18.185 18.185 18.922 -0.737 18431 4565 1 11 . 1 1 9 9 ALA H H 9 7.992 7.992 8.261 -0.269 18431 4566 1 11 . 1 1 10 10 PRO HA H 10 4.299 4.299 4.288 0.011 18431 4567 1 11 . 1 1 10 10 PRO CA C 10 62.937 62.937 62.189 0.748 18431 4568 1 11 . 1 1 10 10 PRO CB C 10 31.902 31.902 32.178 -0.276 18431 4569 1 11 . 1 1 11 11 ASN N N 11 117.877 117.877 114.840 3.037 18431 4570 1 11 . 1 1 11 11 ASN HA H 11 4.646 4.646 4.215 0.431 18431 4571 1 11 . 1 1 11 11 ASN CA C 11 53.077 53.077 53.591 -0.514 18431 4572 1 11 . 1 1 11 11 ASN CB C 11 38.590 38.590 37.469 1.121 18431 4573 1 11 . 1 1 11 11 ASN H H 11 8.467 8.467 8.606 -0.139 18431 4574 1 11 . 1 1 12 12 LEU N N 12 122.874 122.874 113.867 9.007 18431 4575 1 11 . 1 1 12 12 LEU HA H 12 4.290 4.290 4.241 0.049 18431 4576 1 11 . 1 1 12 12 LEU CA C 12 55.170 55.170 56.970 -1.800 18431 4577 1 11 . 1 1 12 12 LEU CB C 12 42.131 42.131 41.792 0.339 18431 4578 1 11 . 1 1 12 12 LEU H H 12 8.196 8.196 7.991 0.205 18431 4579 1 11 . 1 1 13 13 ALA N N 13 123.854 123.854 121.000 2.854 18431 4580 1 11 . 1 1 13 13 ALA HA H 13 4.243 4.243 4.517 -0.274 18431 4581 1 11 . 1 1 13 13 ALA CA C 13 52.672 52.672 51.134 1.538 18431 4582 1 11 . 1 1 13 13 ALA CB C 13 18.923 18.923 20.752 -1.829 18431 4583 1 11 . 1 1 13 13 ALA H H 13 8.214 8.214 7.247 0.967 18431 4584 1 11 . 1 1 14 14 GLY N N 14 107.993 107.993 105.166 2.827 18431 4585 1 11 . 1 1 14 14 GLY CA C 14 44.989 44.989 46.087 -1.098 18431 4586 1 11 . 1 1 14 14 GLY H H 14 8.246 8.246 8.522 -0.276 18431 4587 1 11 . 1 1 15 15 ALA N N 15 123.594 123.594 119.918 3.676 18431 4588 1 11 . 1 1 15 15 ALA HA H 15 4.330 4.330 3.985 0.345 18431 4589 1 11 . 1 1 15 15 ALA CA C 15 52.147 52.147 52.397 -0.250 18431 4590 1 11 . 1 1 15 15 ALA CB C 15 18.941 18.941 17.293 1.648 18431 4591 1 11 . 1 1 15 15 ALA H H 15 8.017 8.017 8.069 -0.052 18431 4592 1 11 . 1 1 16 16 VAL N N 16 119.010 119.010 113.135 5.875 18431 4593 1 11 . 1 1 16 16 VAL HA H 16 4.036 4.036 3.791 0.245 18431 4594 1 11 . 1 1 16 16 VAL CA C 16 62.127 62.127 64.281 -2.154 18431 4595 1 11 . 1 1 16 16 VAL CB C 16 32.727 32.727 31.870 0.857 18431 4596 1 11 . 1 1 16 16 VAL H H 16 8.060 8.060 8.103 -0.043 18431 4597 1 11 . 1 1 17 17 GLU N N 17 124.211 124.211 117.853 6.358 18431 4598 1 11 . 1 1 17 17 GLU HA H 17 4.429 4.429 4.525 -0.096 18431 4599 1 11 . 1 1 17 17 GLU CA C 17 57.429 57.429 55.209 2.220 18431 4600 1 11 . 1 1 17 17 GLU CB C 17 29.421 29.421 31.176 -1.755 18431 4601 1 11 . 1 1 17 17 GLU H H 17 8.436 8.436 7.904 0.532 18431 4602 1 11 . 1 1 18 18 PHE HA H 18 4.291 4.291 4.370 -0.079 18431 4603 1 11 . 1 1 18 18 PHE CA C 18 60.955 60.955 60.502 0.453 18431 4604 1 11 . 1 1 18 18 PHE CB C 18 38.464 38.464 39.690 -1.226 18431 4605 1 11 . 1 1 19 19 SER N N 19 112.147 112.147 114.390 -2.243 18431 4606 1 11 . 1 1 19 19 SER HA H 19 3.659 3.659 3.819 -0.160 18431 4607 1 11 . 1 1 19 19 SER CA C 19 61.576 61.576 62.109 -0.533 18431 4608 1 11 . 1 1 19 19 SER CB C 19 61.649 61.649 62.714 -1.065 18431 4609 1 11 . 1 1 19 19 SER H H 19 8.871 8.871 8.528 0.343 18431 4610 1 11 . 1 1 20 20 ASP N N 20 120.916 120.916 119.677 1.239 18431 4611 1 11 . 1 1 20 20 ASP HA H 20 4.492 4.492 4.490 0.002 18431 4612 1 11 . 1 1 20 20 ASP CA C 20 56.696 56.696 56.976 -0.280 18431 4613 1 11 . 1 1 20 20 ASP CB C 20 40.543 40.543 40.556 -0.013 18431 4614 1 11 . 1 1 20 20 ASP H H 20 7.019 7.019 7.465 -0.446 18431 4615 1 11 . 1 1 21 21 VAL HA H 21 3.224 3.224 3.628 -0.404 18431 4616 1 11 . 1 1 21 21 VAL CA C 21 66.801 66.801 65.531 1.270 18431 4617 1 11 . 1 1 21 21 VAL CB C 21 31.741 31.741 31.673 0.068 18431 4618 1 11 . 1 1 22 22 LYS HA H 22 3.435 3.435 3.850 -0.415 18431 4619 1 11 . 1 1 22 22 LYS CA C 22 60.282 60.282 59.663 0.620 18431 4620 1 11 . 1 1 22 22 LYS CB C 22 31.283 31.283 31.007 0.276 18431 4621 1 11 . 1 1 23 23 THR N N 23 116.224 116.224 117.031 -0.807 18431 4622 1 11 . 1 1 23 23 THR HA H 23 3.796 3.796 4.149 -0.353 18431 4623 1 11 . 1 1 23 23 THR CA C 23 66.591 66.591 66.385 0.206 18431 4624 1 11 . 1 1 23 23 THR CB C 23 68.361 68.361 68.965 -0.604 18431 4625 1 11 . 1 1 23 23 THR H H 23 7.391 7.391 7.267 0.124 18431 4626 1 11 . 1 1 24 24 LEU HA H 24 4.022 4.022 4.047 -0.025 18431 4627 1 11 . 1 1 24 24 LEU CA C 24 57.911 57.911 58.179 -0.268 18431 4628 1 11 . 1 1 24 24 LEU CB C 24 42.110 42.110 41.810 0.299 18431 4629 1 11 . 1 1 24 24 LEU H H 24 7.699 7.699 7.846 -0.147 18431 4630 1 11 . 1 1 25 25 LEU N N 25 118.389 118.389 119.343 -0.954 18431 4631 1 11 . 1 1 25 25 LEU HA H 25 4.135 4.135 4.259 -0.124 18431 4632 1 11 . 1 1 25 25 LEU CA C 25 57.864 57.864 58.005 -0.141 18431 4633 1 11 . 1 1 25 25 LEU CB C 25 42.653 42.653 41.895 0.758 18431 4634 1 11 . 1 1 25 25 LEU H H 25 8.331 8.331 8.200 0.131 18431 4635 1 11 . 1 1 26 26 LYS N N 26 118.433 118.433 119.490 -1.057 18431 4636 1 11 . 1 1 26 26 LYS HA H 26 3.833 3.833 3.873 -0.040 18431 4637 1 11 . 1 1 26 26 LYS CA C 26 60.095 60.095 59.689 0.406 18431 4638 1 11 . 1 1 26 26 LYS CB C 26 31.623 31.623 32.120 -0.497 18431 4639 1 11 . 1 1 26 26 LYS H H 26 8.464 8.464 7.883 0.581 18431 4640 1 11 . 1 1 27 27 GLU N N 27 120.838 120.838 119.587 1.251 18431 4641 1 11 . 1 1 27 27 GLU HA H 27 3.945 3.945 4.249 -0.304 18431 4642 1 11 . 1 1 27 27 GLU CA C 27 59.509 59.509 58.673 0.836 18431 4643 1 11 . 1 1 27 27 GLU CB C 27 29.199 29.199 29.804 -0.605 18431 4644 1 11 . 1 1 27 27 GLU H H 27 8.246 8.246 8.447 -0.201 18431 4645 1 11 . 1 1 28 28 TRP N N 28 122.200 122.200 121.375 0.825 18431 4646 1 11 . 1 1 28 28 TRP HA H 28 4.597 4.597 4.575 0.022 18431 4647 1 11 . 1 1 28 28 TRP CA C 28 59.443 59.443 60.606 -1.163 18431 4648 1 11 . 1 1 28 28 TRP CB C 28 29.083 29.083 29.490 -0.407 18431 4649 1 11 . 1 1 28 28 TRP H H 28 8.143 8.143 8.013 0.130 18431 4650 1 11 . 1 1 29 29 ILE N N 29 114.954 114.954 117.093 -2.139 18431 4651 1 11 . 1 1 29 29 ILE HA H 29 2.742 2.742 3.399 -0.657 18431 4652 1 11 . 1 1 29 29 ILE CA C 29 62.759 62.759 63.004 -0.245 18431 4653 1 11 . 1 1 29 29 ILE CB C 29 37.992 37.992 38.043 -0.051 18431 4654 1 11 . 1 1 29 29 ILE H H 29 7.999 7.999 7.550 0.449 18431 4655 1 11 . 1 1 30 30 THR N N 30 106.869 106.869 113.373 -6.504 18431 4656 1 11 . 1 1 30 30 THR HA H 30 4.117 4.117 4.076 0.041 18431 4657 1 11 . 1 1 30 30 THR CA C 30 63.447 63.447 65.206 -1.759 18431 4658 1 11 . 1 1 30 30 THR CB C 30 70.045 70.045 69.235 0.810 18431 4659 1 11 . 1 1 30 30 THR H H 30 7.622 7.622 7.852 -0.230 18431 4660 1 11 . 1 1 31 31 THR N N 31 111.890 111.890 114.700 -2.810 18431 4661 1 11 . 1 1 31 31 THR HA H 31 4.503 4.503 4.113 0.390 18431 4662 1 11 . 1 1 31 31 THR CA C 31 63.231 63.231 64.517 -1.286 18431 4663 1 11 . 1 1 31 31 THR CB C 31 70.556 70.556 68.993 1.563 18431 4664 1 11 . 1 1 31 31 THR H H 31 7.588 7.588 8.037 -0.449 18431 4665 1 11 . 1 1 32 32 ILE N N 32 123.663 123.663 121.999 1.664 18431 4666 1 11 . 1 1 32 32 ILE HA H 32 4.499 4.499 4.300 0.199 18431 4667 1 11 . 1 1 32 32 ILE CA C 32 59.426 59.426 60.028 -0.602 18431 4668 1 11 . 1 1 32 32 ILE CB C 32 37.378 37.378 37.845 -0.467 18431 4669 1 11 . 1 1 32 32 ILE H H 32 7.929 7.929 7.564 0.365 18431 4670 1 11 . 1 1 33 33 SER N N 33 119.544 119.544 116.537 3.007 18431 4671 1 11 . 1 1 33 33 SER HA H 33 4.523 4.523 4.686 -0.163 18431 4672 1 11 . 1 1 33 33 SER CA C 33 59.189 59.189 59.563 -0.374 18431 4673 1 11 . 1 1 33 33 SER CB C 33 63.838 63.838 65.067 -1.229 18431 4674 1 11 . 1 1 33 33 SER H H 33 8.418 8.418 8.673 -0.255 18431 4675 1 11 . 1 1 34 34 ASP HA H 34 4.821 4.821 4.845 -0.024 18431 4676 1 11 . 1 1 34 34 ASP CA C 34 51.168 51.168 50.636 0.532 18431 4677 1 11 . 1 1 34 34 ASP CB C 34 41.139 41.139 40.871 0.268 18431 4678 1 11 . 1 1 34 34 ASP H H 34 7.730 7.730 8.117 -0.387 18431 4679 1 11 . 1 1 35 35 PRO HA H 35 4.167 4.167 4.422 -0.255 18431 4680 1 11 . 1 1 35 35 PRO CA C 35 62.085 62.085 62.736 -0.652 18431 4681 1 11 . 1 1 35 35 PRO CB C 35 31.767 31.767 32.598 -0.831 18431 4682 1 11 . 1 1 36 36 MET N N 36 121.309 121.309 121.923 -0.614 18431 4683 1 11 . 1 1 36 36 MET HA H 36 4.565 4.565 4.382 0.183 18431 4684 1 11 . 1 1 36 36 MET CA C 36 53.867 53.867 55.536 -1.669 18431 4685 1 11 . 1 1 36 36 MET CB C 36 32.411 32.411 33.655 -1.244 18431 4686 1 11 . 1 1 36 36 MET H H 36 9.165 9.165 8.419 0.746 18431 4687 1 11 . 1 1 37 37 GLU N N 37 125.284 125.284 121.100 4.184 18431 4688 1 11 . 1 1 37 37 GLU HA H 37 3.744 3.744 3.876 -0.132 18431 4689 1 11 . 1 1 37 37 GLU CA C 37 60.307 60.307 59.317 0.990 18431 4690 1 11 . 1 1 37 37 GLU CB C 37 29.448 29.448 28.919 0.529 18431 4691 1 11 . 1 1 37 37 GLU H H 37 9.034 9.034 8.905 0.129 18431 4692 1 11 . 1 1 38 38 GLU N N 38 116.000 116.000 118.233 -2.233 18431 4693 1 11 . 1 1 38 38 GLU HA H 38 4.003 4.003 3.971 0.032 18431 4694 1 11 . 1 1 38 38 GLU CA C 38 59.588 59.588 59.007 0.581 18431 4695 1 11 . 1 1 38 38 GLU CB C 38 29.280 29.280 28.891 0.389 18431 4696 1 11 . 1 1 38 38 GLU H H 38 9.356 9.356 8.556 0.800 18431 4697 1 11 . 1 1 39 39 ASP N N 39 118.974 118.974 120.139 -1.165 18431 4698 1 11 . 1 1 39 39 ASP HA H 39 4.493 4.493 4.371 0.122 18431 4699 1 11 . 1 1 39 39 ASP CA C 39 57.231 57.231 56.940 0.291 18431 4700 1 11 . 1 1 39 39 ASP CB C 39 41.226 41.226 40.705 0.521 18431 4701 1 11 . 1 1 39 39 ASP H H 39 7.169 7.169 8.029 -0.860 18431 4702 1 11 . 1 1 40 40 ILE N N 40 120.269 120.269 119.246 1.023 18431 4703 1 11 . 1 1 40 40 ILE HA H 40 3.845 3.845 4.000 -0.155 18431 4704 1 11 . 1 1 40 40 ILE CA C 40 65.345 65.345 63.344 2.001 18431 4705 1 11 . 1 1 40 40 ILE CB C 40 37.500 37.500 36.986 0.514 18431 4706 1 11 . 1 1 40 40 ILE H H 40 7.766 7.766 8.143 -0.377 18431 4707 1 11 . 1 1 41 41 LEU N N 41 118.715 118.715 119.268 -0.553 18431 4708 1 11 . 1 1 41 41 LEU HA H 41 4.131 4.131 4.156 -0.025 18431 4709 1 11 . 1 1 41 41 LEU CA C 41 57.835 57.835 57.519 0.316 18431 4710 1 11 . 1 1 41 41 LEU CB C 41 40.819 40.819 40.467 0.352 18431 4711 1 11 . 1 1 41 41 LEU H H 41 8.726 8.726 7.545 1.181 18431 4712 1 11 . 1 1 42 42 GLN N N 42 119.539 119.539 118.725 0.814 18431 4713 1 11 . 1 1 42 42 GLN HA H 42 4.177 4.177 4.130 0.047 18431 4714 1 11 . 1 1 42 42 GLN CA C 42 59.241 59.241 58.397 0.845 18431 4715 1 11 . 1 1 42 42 GLN CB C 42 28.518 28.518 28.441 0.077 18431 4716 1 11 . 1 1 42 42 GLN H H 42 7.768 7.768 7.571 0.197 18431 4717 1 11 . 1 1 43 43 VAL N N 43 121.194 121.194 116.136 5.058 18431 4718 1 11 . 1 1 43 43 VAL HA H 43 3.787 3.787 3.794 -0.007 18431 4719 1 11 . 1 1 43 43 VAL CA C 43 66.760 66.760 66.076 0.684 18431 4720 1 11 . 1 1 43 43 VAL CB C 43 31.423 31.423 31.253 0.170 18431 4721 1 11 . 1 1 43 43 VAL H H 43 7.712 7.712 7.942 -0.230 18431 4722 1 11 . 1 1 44 44 VAL N N 44 120.876 120.876 120.039 0.837 18431 4723 1 11 . 1 1 44 44 VAL HA H 44 3.422 3.422 3.889 -0.467 18431 4724 1 11 . 1 1 44 44 VAL CA C 44 67.910 67.910 65.769 2.141 18431 4725 1 11 . 1 1 44 44 VAL CB C 44 31.392 31.392 30.978 0.414 18431 4726 1 11 . 1 1 44 44 VAL H H 44 8.232 8.232 7.961 0.271 18431 4727 1 11 . 1 1 45 45 ARG N N 45 120.934 120.934 119.153 1.781 18431 4728 1 11 . 1 1 45 45 ARG HA H 45 4.148 4.148 4.106 0.042 18431 4729 1 11 . 1 1 45 45 ARG CA C 45 58.593 58.593 58.257 0.336 18431 4730 1 11 . 1 1 45 45 ARG CB C 45 29.608 29.608 29.233 0.375 18431 4731 1 11 . 1 1 45 45 ARG H H 45 8.489 8.489 8.017 0.472 18431 4732 1 11 . 1 1 46 46 TYR N N 46 120.548 120.548 121.930 -1.382 18431 4733 1 11 . 1 1 46 46 TYR HA H 46 4.547 4.547 4.365 0.182 18431 4734 1 11 . 1 1 46 46 TYR CA C 46 60.926 60.926 61.166 -0.240 18431 4735 1 11 . 1 1 46 46 TYR CB C 46 38.447 38.447 38.221 0.226 18431 4736 1 11 . 1 1 46 46 TYR H H 46 7.870 7.870 7.668 0.203 18431 4737 1 11 . 1 1 47 47 CYS N N 47 115.132 115.132 117.857 -2.725 18431 4738 1 11 . 1 1 47 47 CYS HA H 47 3.738 3.738 3.807 -0.069 18431 4739 1 11 . 1 1 47 47 CYS CA C 47 64.313 64.313 63.078 1.236 18431 4740 1 11 . 1 1 47 47 CYS CB C 47 27.744 27.744 26.541 1.203 18431 4741 1 11 . 1 1 47 47 CYS H H 47 8.109 8.109 7.866 0.243 18431 4742 1 11 . 1 1 48 48 THR N N 48 114.153 114.153 116.500 -2.347 18431 4743 1 11 . 1 1 48 48 THR HA H 48 3.877 3.877 4.009 -0.132 18431 4744 1 11 . 1 1 48 48 THR CA C 48 66.755 66.755 66.935 -0.180 18431 4745 1 11 . 1 1 48 48 THR CB C 48 67.593 67.593 68.043 -0.450 18431 4746 1 11 . 1 1 48 48 THR H H 48 8.776 8.776 8.183 0.593 18431 4747 1 11 . 1 1 49 49 ASP N N 49 126.528 126.528 121.072 5.456 18431 4748 1 11 . 1 1 49 49 ASP HA H 49 4.425 4.425 4.410 0.015 18431 4749 1 11 . 1 1 49 49 ASP CA C 49 57.688 57.688 57.105 0.583 18431 4750 1 11 . 1 1 49 49 ASP CB C 49 39.249 39.249 40.436 -1.187 18431 4751 1 11 . 1 1 49 49 ASP H H 49 8.697 8.697 7.765 0.932 18431 4752 1 11 . 1 1 50 50 LEU HA H 50 3.924 3.924 3.917 0.007 18431 4753 1 11 . 1 1 50 50 LEU CA C 50 58.157 58.157 57.501 0.656 18431 4754 1 11 . 1 1 50 50 LEU CB C 50 41.408 41.408 41.720 -0.312 18431 4755 1 11 . 1 1 51 51 ILE N N 51 118.832 118.832 118.314 0.518 18431 4756 1 11 . 1 1 51 51 ILE HA H 51 3.417 3.417 3.686 -0.269 18431 4757 1 11 . 1 1 51 51 ILE CA C 51 66.261 66.261 65.194 1.067 18431 4758 1 11 . 1 1 51 51 ILE CB C 51 37.691 37.691 37.356 0.335 18431 4759 1 11 . 1 1 51 51 ILE H H 51 7.639 7.639 7.643 -0.004 18431 4760 1 11 . 1 1 52 52 GLU N N 52 123.247 123.247 119.307 3.940 18431 4761 1 11 . 1 1 52 52 GLU HA H 52 4.001 4.001 4.132 -0.131 18431 4762 1 11 . 1 1 52 52 GLU CA C 52 59.592 59.592 58.769 0.823 18431 4763 1 11 . 1 1 52 52 GLU CB C 52 29.068 29.068 29.161 -0.093 18431 4764 1 11 . 1 1 52 52 GLU H H 52 8.506 8.506 7.877 0.629 18431 4765 1 11 . 1 1 53 53 GLU N N 53 116.384 116.384 116.083 0.301 18431 4766 1 11 . 1 1 53 53 GLU HA H 53 4.294 4.294 4.444 -0.150 18431 4767 1 11 . 1 1 53 53 GLU CA C 53 55.907 55.907 55.762 0.145 18431 4768 1 11 . 1 1 53 53 GLU CB C 53 29.710 29.710 29.700 0.010 18431 4769 1 11 . 1 1 53 53 GLU H H 53 7.716 7.716 7.765 -0.049 18431 4770 1 11 . 1 1 54 54 LYS N N 54 116.934 116.934 114.438 2.496 18431 4771 1 11 . 1 1 54 54 LYS HA H 54 3.662 3.662 3.952 -0.290 18431 4772 1 11 . 1 1 54 54 LYS CA C 54 57.278 57.278 57.919 -0.641 18431 4773 1 11 . 1 1 54 54 LYS CB C 54 29.785 29.785 29.991 -0.206 18431 4774 1 11 . 1 1 54 54 LYS H H 54 8.089 8.089 7.619 0.470 18431 4775 1 11 . 1 1 55 55 ASP N N 55 122.549 122.549 119.061 3.488 18431 4776 1 11 . 1 1 55 55 ASP HA H 55 5.058 5.058 4.776 0.282 18431 4777 1 11 . 1 1 55 55 ASP CA C 55 51.306 51.306 53.481 -2.175 18431 4778 1 11 . 1 1 55 55 ASP CB C 55 38.856 38.856 40.513 -1.657 18431 4779 1 11 . 1 1 55 55 ASP H H 55 8.497 8.497 8.253 0.244 18431 4780 1 11 . 1 1 56 56 LEU N N 56 119.627 119.627 117.031 2.596 18431 4781 1 11 . 1 1 56 56 LEU HA H 56 3.901 3.901 4.310 -0.409 18431 4782 1 11 . 1 1 56 56 LEU CA C 56 56.528 56.528 55.667 0.861 18431 4783 1 11 . 1 1 56 56 LEU CB C 56 40.034 40.034 40.418 -0.384 18431 4784 1 11 . 1 1 56 56 LEU H H 56 7.578 7.578 7.994 -0.416 18431 4785 1 11 . 1 1 57 57 GLU N N 57 121.433 121.433 120.622 0.811 18431 4786 1 11 . 1 1 57 57 GLU HA H 57 4.041 4.041 3.908 0.133 18431 4787 1 11 . 1 1 57 57 GLU CA C 57 59.321 59.321 59.728 -0.407 18431 4788 1 11 . 1 1 57 57 GLU CB C 57 29.229 29.229 28.912 0.317 18431 4789 1 11 . 1 1 57 57 GLU H H 57 8.614 8.614 8.357 0.257 18431 4790 1 11 . 1 1 58 58 LYS N N 58 119.832 119.832 117.966 1.866 18431 4791 1 11 . 1 1 58 58 LYS HA H 58 3.760 3.760 3.949 -0.189 18431 4792 1 11 . 1 1 58 58 LYS CA C 58 59.273 59.273 58.204 1.069 18431 4793 1 11 . 1 1 58 58 LYS CB C 58 32.370 32.370 32.196 0.174 18431 4794 1 11 . 1 1 58 58 LYS H H 58 7.527 7.527 7.474 0.053 18431 4795 1 11 . 1 1 59 59 LEU N N 59 117.844 117.844 119.471 -1.627 18431 4796 1 11 . 1 1 59 59 LEU HA H 59 3.912 3.912 4.187 -0.275 18431 4797 1 11 . 1 1 59 59 LEU CA C 59 57.865 57.865 57.769 0.096 18431 4798 1 11 . 1 1 59 59 LEU CB C 59 41.382 41.382 41.358 0.024 18431 4799 1 11 . 1 1 59 59 LEU H H 59 7.570 7.570 7.456 0.114 18431 4800 1 11 . 1 1 60 60 ASP N N 60 117.630 117.630 119.673 -2.043 18431 4801 1 11 . 1 1 60 60 ASP HA H 60 4.273 4.273 4.359 -0.086 18431 4802 1 11 . 1 1 60 60 ASP CA C 60 57.695 57.695 57.856 -0.161 18431 4803 1 11 . 1 1 60 60 ASP CB C 60 42.074 42.074 40.632 1.442 18431 4804 1 11 . 1 1 60 60 ASP H H 60 7.849 7.849 8.011 -0.162 18431 4805 1 11 . 1 1 61 61 LEU N N 61 116.500 116.500 118.860 -2.360 18431 4806 1 11 . 1 1 61 61 LEU HA H 61 3.924 3.924 4.153 -0.229 18431 4807 1 11 . 1 1 61 61 LEU CA C 61 57.886 57.886 56.937 0.950 18431 4808 1 11 . 1 1 61 61 LEU CB C 61 41.825 41.825 41.712 0.113 18431 4809 1 11 . 1 1 61 61 LEU H H 61 7.484 7.484 7.285 0.199 18431 4810 1 11 . 1 1 62 62 VAL N N 62 120.681 120.681 119.520 1.161 18431 4811 1 11 . 1 1 62 62 VAL HA H 62 3.963 3.963 3.905 0.058 18431 4812 1 11 . 1 1 62 62 VAL CA C 62 66.843 66.843 66.575 0.268 18431 4813 1 11 . 1 1 62 62 VAL CB C 62 31.954 31.954 31.321 0.633 18431 4814 1 11 . 1 1 62 62 VAL H H 62 8.682 8.682 7.314 1.368 18431 4815 1 11 . 1 1 63 63 ILE N N 63 122.448 122.448 118.269 4.179 18431 4816 1 11 . 1 1 63 63 ILE HA H 63 3.995 3.995 3.896 0.099 18431 4817 1 11 . 1 1 63 63 ILE CA C 63 63.777 63.777 63.814 -0.037 18431 4818 1 11 . 1 1 63 63 ILE CB C 63 35.707 35.707 36.460 -0.753 18431 4819 1 11 . 1 1 63 63 ILE H H 63 8.824 8.824 7.904 0.920 18431 4820 1 11 . 1 1 64 64 LYS N N 64 118.898 118.898 119.608 -0.710 18431 4821 1 11 . 1 1 64 64 LYS HA H 64 3.889 3.889 4.114 -0.225 18431 4822 1 11 . 1 1 64 64 LYS CA C 64 60.416 60.416 59.462 0.954 18431 4823 1 11 . 1 1 64 64 LYS CB C 64 32.563 32.563 32.217 0.346 18431 4824 1 11 . 1 1 64 64 LYS H H 64 8.368 8.368 7.520 0.848 18431 4825 1 11 . 1 1 65 65 TYR N N 65 121.217 121.217 121.390 -0.173 18431 4826 1 11 . 1 1 65 65 TYR HA H 65 4.330 4.330 4.363 -0.033 18431 4827 1 11 . 1 1 65 65 TYR CA C 65 61.779 61.779 60.829 0.950 18431 4828 1 11 . 1 1 65 65 TYR CB C 65 38.898 38.898 38.918 -0.020 18431 4829 1 11 . 1 1 65 65 TYR H H 65 8.200 8.200 7.753 0.447 18431 4830 1 11 . 1 1 66 66 MET N N 66 116.741 116.741 118.767 -2.026 18431 4831 1 11 . 1 1 66 66 MET HA H 66 3.682 3.682 3.958 -0.276 18431 4832 1 11 . 1 1 66 66 MET CA C 66 60.444 60.444 59.336 1.108 18431 4833 1 11 . 1 1 66 66 MET CB C 66 33.627 33.627 32.751 0.876 18431 4834 1 11 . 1 1 66 66 MET H H 66 8.681 8.681 8.780 -0.099 18431 4835 1 11 . 1 1 67 67 LYS N N 67 119.826 119.826 117.783 2.043 18431 4836 1 11 . 1 1 67 67 LYS HA H 67 2.637 2.637 3.224 -0.587 18431 4837 1 11 . 1 1 67 67 LYS CA C 67 59.949 59.949 58.656 1.293 18431 4838 1 11 . 1 1 67 67 LYS CB C 67 32.596 32.596 31.566 1.030 18431 4839 1 11 . 1 1 67 67 LYS H H 67 8.563 8.563 7.873 0.690 18431 4840 1 11 . 1 1 68 68 ARG N N 68 116.343 116.343 118.368 -2.025 18431 4841 1 11 . 1 1 68 68 ARG HA H 68 3.859 3.859 4.318 -0.459 18431 4842 1 11 . 1 1 68 68 ARG CA C 68 58.254 58.254 58.023 0.231 18431 4843 1 11 . 1 1 68 68 ARG CB C 68 29.605 29.605 29.882 -0.277 18431 4844 1 11 . 1 1 68 68 ARG H H 68 7.117 7.117 7.415 -0.298 18431 4845 1 11 . 1 1 69 69 LEU N N 69 116.573 116.573 120.969 -4.396 18431 4846 1 11 . 1 1 69 69 LEU HA H 69 3.847 3.847 3.850 -0.003 18431 4847 1 11 . 1 1 69 69 LEU CA C 69 56.861 56.861 57.048 -0.187 18431 4848 1 11 . 1 1 69 69 LEU CB C 69 42.950 42.950 41.961 0.989 18431 4849 1 11 . 1 1 69 69 LEU H H 69 7.360 7.360 7.550 -0.190 18431 4850 1 11 . 1 1 70 70 MET N N 70 115.874 115.874 116.731 -0.857 18431 4851 1 11 . 1 1 70 70 MET HA H 70 3.823 3.823 3.740 0.083 18431 4852 1 11 . 1 1 70 70 MET CA C 70 59.195 59.195 58.698 0.497 18431 4853 1 11 . 1 1 70 70 MET CB C 70 32.315 32.315 32.113 0.202 18431 4854 1 11 . 1 1 70 70 MET H H 70 8.769 8.769 7.733 1.036 18431 4855 1 11 . 1 1 71 71 GLN N N 71 114.286 114.286 117.599 -3.313 18431 4856 1 11 . 1 1 71 71 GLN HA H 71 4.416 4.416 3.928 0.488 18431 4857 1 11 . 1 1 71 71 GLN CA C 71 56.527 56.527 58.447 -1.920 18431 4858 1 11 . 1 1 71 71 GLN CB C 71 27.446 27.446 28.534 -1.088 18431 4859 1 11 . 1 1 71 71 GLN H H 71 7.522 7.522 7.679 -0.157 18431 4860 1 11 . 1 1 72 72 GLN N N 72 117.645 117.645 116.016 1.629 18431 4861 1 11 . 1 1 72 72 GLN HA H 72 4.198 4.198 4.014 0.184 18431 4862 1 11 . 1 1 72 72 GLN CA C 72 56.549 56.549 56.889 -0.340 18431 4863 1 11 . 1 1 72 72 GLN CB C 72 28.824 28.824 28.531 0.293 18431 4864 1 11 . 1 1 72 72 GLN H H 72 7.279 7.279 7.511 -0.232 18431 4865 1 11 . 1 1 73 73 SER N N 73 113.600 113.600 115.335 -1.735 18431 4866 1 11 . 1 1 73 73 SER HA H 73 4.504 4.504 4.431 0.073 18431 4867 1 11 . 1 1 73 73 SER CA C 73 57.600 57.600 57.748 -0.148 18431 4868 1 11 . 1 1 73 73 SER CB C 73 63.542 63.542 64.591 -1.048 18431 4869 1 11 . 1 1 73 73 SER H H 73 7.588 7.588 7.542 0.046 18431 4870 1 11 . 1 1 74 74 VAL N N 74 121.652 121.652 117.777 3.875 18431 4871 1 11 . 1 1 74 74 VAL HA H 74 4.136 4.136 4.196 -0.060 18431 4872 1 11 . 1 1 74 74 VAL CA C 74 62.985 62.985 62.825 0.160 18431 4873 1 11 . 1 1 74 74 VAL CB C 74 31.797 31.797 32.480 -0.683 18431 4874 1 11 . 1 1 74 74 VAL H H 74 8.300 8.300 8.255 0.045 18431 4875 1 11 . 1 1 75 75 GLU N N 75 120.481 120.481 122.347 -1.866 18431 4876 1 11 . 1 1 75 75 GLU HA H 75 4.415 4.415 4.317 0.098 18431 4877 1 11 . 1 1 75 75 GLU CA C 75 56.061 56.061 57.403 -1.342 18431 4878 1 11 . 1 1 75 75 GLU CB C 75 29.153 29.153 30.141 -0.988 18431 4879 1 11 . 1 1 75 75 GLU H H 75 8.486 8.486 8.328 0.158 18431 4880 1 11 . 1 1 76 76 SER HA H 76 4.498 4.498 4.261 0.237 18431 4881 1 11 . 1 1 76 76 SER CA C 76 59.426 59.426 61.563 -2.138 18431 4882 1 11 . 1 1 76 76 SER CB C 76 64.071 64.071 63.248 0.823 18431 4883 1 11 . 1 1 76 76 SER H H 76 8.142 8.142 8.907 -0.765 18431 4884 1 11 . 1 1 77 77 VAL N N 77 122.712 122.712 121.407 1.305 18431 4885 1 11 . 1 1 77 77 VAL HA H 77 4.036 4.036 3.745 0.291 18431 4886 1 11 . 1 1 77 77 VAL CA C 77 64.600 64.600 66.004 -1.404 18431 4887 1 11 . 1 1 77 77 VAL CB C 77 30.843 30.843 31.791 -0.948 18431 4888 1 11 . 1 1 77 77 VAL H H 77 8.750 8.750 8.109 0.641 18431 4889 1 11 . 1 1 78 78 TRP N N 78 121.247 121.247 119.244 2.003 18431 4890 1 11 . 1 1 78 78 TRP HA H 78 4.507 4.507 4.345 0.162 18431 4891 1 11 . 1 1 78 78 TRP CA C 78 59.753 59.753 60.735 -0.982 18431 4892 1 11 . 1 1 78 78 TRP CB C 78 29.332 29.332 29.390 -0.058 18431 4893 1 11 . 1 1 78 78 TRP H H 78 7.837 7.837 7.436 0.401 18431 4894 1 11 . 1 1 79 79 ASN N N 79 119.032 119.032 117.342 1.690 18431 4895 1 11 . 1 1 79 79 ASN HA H 79 4.382 4.382 4.509 -0.127 18431 4896 1 11 . 1 1 79 79 ASN CA C 79 57.406 57.406 56.862 0.544 18431 4897 1 11 . 1 1 79 79 ASN CB C 79 38.813 38.813 38.413 0.400 18431 4898 1 11 . 1 1 79 79 ASN H H 79 7.856 7.856 7.889 -0.033 18431 4899 1 11 . 1 1 80 80 MET N N 80 117.280 117.280 118.051 -0.771 18431 4900 1 11 . 1 1 80 80 MET HA H 80 4.383 4.383 4.350 0.033 18431 4901 1 11 . 1 1 80 80 MET CA C 80 58.111 58.111 58.000 0.111 18431 4902 1 11 . 1 1 80 80 MET CB C 80 32.350 32.350 31.796 0.554 18431 4903 1 11 . 1 1 80 80 MET H H 80 7.765 7.765 8.506 -0.741 18431 4904 1 11 . 1 1 81 81 ALA N N 81 123.582 123.582 123.142 0.440 18431 4905 1 11 . 1 1 81 81 ALA HA H 81 4.220 4.220 4.164 0.056 18431 4906 1 11 . 1 1 81 81 ALA CA C 81 54.997 54.997 55.158 -0.161 18431 4907 1 11 . 1 1 81 81 ALA CB C 81 17.615 17.615 17.920 -0.305 18431 4908 1 11 . 1 1 81 81 ALA H H 81 8.019 8.019 7.634 0.385 18431 4909 1 11 . 1 1 82 82 PHE N N 82 117.853 117.853 120.068 -2.215 18431 4910 1 11 . 1 1 82 82 PHE HA H 82 4.201 4.201 4.266 -0.065 18431 4911 1 11 . 1 1 82 82 PHE CA C 82 62.679 62.679 60.469 2.209 18431 4912 1 11 . 1 1 82 82 PHE CB C 82 38.078 38.078 38.880 -0.802 18431 4913 1 11 . 1 1 82 82 PHE H H 82 8.455 8.455 8.294 0.161 18431 4914 1 11 . 1 1 83 83 ASP N N 83 118.244 118.244 119.193 -0.949 18431 4915 1 11 . 1 1 83 83 ASP HA H 83 4.250 4.250 3.961 0.289 18431 4916 1 11 . 1 1 83 83 ASP CA C 83 57.602 57.602 58.172 -0.570 18431 4917 1 11 . 1 1 83 83 ASP CB C 83 40.117 40.117 40.698 -0.581 18431 4918 1 11 . 1 1 83 83 ASP H H 83 7.615 7.615 7.969 -0.354 18431 4919 1 11 . 1 1 84 84 PHE N N 84 120.090 120.090 118.998 1.092 18431 4920 1 11 . 1 1 84 84 PHE HA H 84 4.319 4.319 4.239 0.080 18431 4921 1 11 . 1 1 84 84 PHE CA C 84 61.110 61.110 61.084 0.026 18431 4922 1 11 . 1 1 84 84 PHE CB C 84 39.225 39.225 39.571 -0.346 18431 4923 1 11 . 1 1 84 84 PHE H H 84 7.849 7.849 7.347 0.502 18431 4924 1 11 . 1 1 85 85 ILE N N 85 122.915 122.915 120.083 2.832 18431 4925 1 11 . 1 1 85 85 ILE HA H 85 3.372 3.372 3.588 -0.216 18431 4926 1 11 . 1 1 85 85 ILE CA C 85 65.864 65.864 66.068 -0.204 18431 4927 1 11 . 1 1 85 85 ILE CB C 85 38.422 38.422 38.021 0.401 18431 4928 1 11 . 1 1 85 85 ILE H H 85 8.687 8.687 8.813 -0.126 18431 4929 1 11 . 1 1 86 86 LEU N N 86 119.481 119.481 117.844 1.637 18431 4930 1 11 . 1 1 86 86 LEU HA H 86 3.715 3.715 3.942 -0.227 18431 4931 1 11 . 1 1 86 86 LEU CA C 86 57.875 57.875 58.259 -0.384 18431 4932 1 11 . 1 1 86 86 LEU CB C 86 40.602 40.602 40.787 -0.185 18431 4933 1 11 . 1 1 86 86 LEU H H 86 8.682 8.682 8.210 0.472 18431 4934 1 11 . 1 1 87 87 ASP N N 87 118.290 118.290 119.118 -0.828 18431 4935 1 11 . 1 1 87 87 ASP HA H 87 4.255 4.255 4.242 0.013 18431 4936 1 11 . 1 1 87 87 ASP CA C 87 57.604 57.604 57.042 0.562 18431 4937 1 11 . 1 1 87 87 ASP CB C 87 40.580 40.580 40.549 0.031 18431 4938 1 11 . 1 1 87 87 ASP H H 87 8.301 8.301 7.660 0.641 18431 4939 1 11 . 1 1 88 88 ASN N N 88 115.606 115.606 117.935 -2.329 18431 4940 1 11 . 1 1 88 88 ASN HA H 88 4.139 4.139 4.366 -0.227 18431 4941 1 11 . 1 1 88 88 ASN CA C 88 57.067 57.067 56.042 1.025 18431 4942 1 11 . 1 1 88 88 ASN CB C 88 39.734 39.734 38.940 0.795 18431 4943 1 11 . 1 1 88 88 ASN H H 88 7.421 7.421 7.864 -0.443 18431 4944 1 11 . 1 1 89 89 VAL N N 89 120.092 120.092 117.495 2.597 18431 4945 1 11 . 1 1 89 89 VAL HA H 89 3.421 3.421 3.916 -0.495 18431 4946 1 11 . 1 1 89 89 VAL CA C 89 66.777 66.777 65.252 1.525 18431 4947 1 11 . 1 1 89 89 VAL CB C 89 31.592 31.592 31.172 0.420 18431 4948 1 11 . 1 1 89 89 VAL H H 89 8.367 8.367 7.888 0.479 18431 4949 1 11 . 1 1 90 90 GLN N N 90 118.315 118.315 118.071 0.244 18431 4950 1 11 . 1 1 90 90 GLN HA H 90 4.427 4.427 4.139 0.288 18431 4951 1 11 . 1 1 90 90 GLN CA C 90 58.918 58.918 58.335 0.583 18431 4952 1 11 . 1 1 90 90 GLN CB C 90 28.471 28.471 28.704 -0.233 18431 4953 1 11 . 1 1 90 90 GLN H H 90 8.780 8.780 7.986 0.794 18431 4954 1 11 . 1 1 91 91 VAL N N 91 118.757 118.757 120.363 -1.606 18431 4955 1 11 . 1 1 91 91 VAL HA H 91 3.720 3.720 3.739 -0.019 18431 4956 1 11 . 1 1 91 91 VAL CA C 91 66.303 66.303 65.474 0.829 18431 4957 1 11 . 1 1 91 91 VAL CB C 91 31.641 31.641 31.590 0.051 18431 4958 1 11 . 1 1 91 91 VAL H H 91 7.640 7.640 7.525 0.115 18431 4959 1 11 . 1 1 92 92 VAL N N 92 120.289 120.289 120.062 0.227 18431 4960 1 11 . 1 1 92 92 VAL HA H 92 3.728 3.728 3.679 0.049 18431 4961 1 11 . 1 1 92 92 VAL CA C 92 66.270 66.270 66.477 -0.207 18431 4962 1 11 . 1 1 92 92 VAL CB C 92 31.354 31.354 31.978 -0.624 18431 4963 1 11 . 1 1 92 92 VAL H H 92 7.382 7.382 7.776 -0.394 18431 4964 1 11 . 1 1 93 93 LEU N N 93 123.817 123.817 116.902 6.915 18431 4965 1 11 . 1 1 93 93 LEU HA H 93 4.038 4.038 4.298 -0.260 18431 4966 1 11 . 1 1 93 93 LEU CA C 93 58.777 58.777 57.887 0.890 18431 4967 1 11 . 1 1 93 93 LEU CB C 93 41.790 41.790 41.500 0.290 18431 4968 1 11 . 1 1 93 93 LEU H H 93 8.813 8.813 7.404 1.409 18431 4969 1 11 . 1 1 94 94 GLN N N 94 119.660 119.660 119.554 0.106 18431 4970 1 11 . 1 1 94 94 GLN HA H 94 3.990 3.990 4.282 -0.292 18431 4971 1 11 . 1 1 94 94 GLN CA C 94 58.977 58.977 58.567 0.410 18431 4972 1 11 . 1 1 94 94 GLN CB C 94 28.270 28.270 28.444 -0.174 18431 4973 1 11 . 1 1 94 94 GLN H H 94 8.469 8.469 7.775 0.694 18431 4974 1 11 . 1 1 95 95 GLN N N 95 117.593 117.593 117.104 0.489 18431 4975 1 11 . 1 1 95 95 GLN HA H 95 4.068 4.068 4.160 -0.092 18431 4976 1 11 . 1 1 95 95 GLN CA C 95 57.991 57.991 58.172 -0.181 18431 4977 1 11 . 1 1 95 95 GLN CB C 95 28.548 28.548 28.749 -0.201 18431 4978 1 11 . 1 1 95 95 GLN H H 95 8.088 8.088 7.698 0.390 18431 4979 1 11 . 1 1 96 96 THR N N 96 113.065 113.065 112.307 0.758 18431 4980 1 11 . 1 1 96 96 THR HA H 96 4.003 4.003 4.139 -0.136 18431 4981 1 11 . 1 1 96 96 THR CA C 96 64.857 64.857 64.043 0.814 18431 4982 1 11 . 1 1 96 96 THR CB C 96 69.618 69.618 69.243 0.375 18431 4983 1 11 . 1 1 96 96 THR H H 96 7.970 7.970 7.675 0.295 18431 4984 1 11 . 1 1 97 97 TYR N N 97 118.178 118.178 118.417 -0.239 18431 4985 1 11 . 1 1 97 97 TYR HA H 97 4.717 4.717 4.570 0.147 18431 4986 1 11 . 1 1 97 97 TYR CA C 97 58.312 58.312 59.685 -1.373 18431 4987 1 11 . 1 1 97 97 TYR CB C 97 40.223 40.223 39.783 0.440 18431 4988 1 11 . 1 1 97 97 TYR H H 97 8.438 8.438 8.441 -0.003 18431 4989 1 11 . 1 1 98 98 GLY N N 98 109.735 109.735 105.346 4.389 18431 4990 1 11 . 1 1 98 98 GLY CA C 98 45.908 45.908 44.940 0.968 18431 4991 1 11 . 1 1 98 98 GLY H H 98 8.014 8.014 8.256 -0.242 18431 4992 1 11 . 1 1 99 99 SER N N 99 114.137 114.137 115.036 -0.899 18431 4993 1 11 . 1 1 99 99 SER HA H 99 4.642 4.642 4.748 -0.106 18431 4994 1 11 . 1 1 99 99 SER CA C 99 57.226 57.226 57.260 -0.034 18431 4995 1 11 . 1 1 99 99 SER CB C 99 64.294 64.294 65.320 -1.026 18431 4996 1 11 . 1 1 99 99 SER H H 99 7.666 7.666 7.826 -0.160 18431 4997 1 11 . 1 1 100 100 THR N N 100 110.514 110.514 110.649 -0.135 18431 4998 1 11 . 1 1 100 100 THR HA H 100 4.424 4.424 4.551 -0.127 18431 4999 1 11 . 1 1 100 100 THR CA C 100 60.964 60.964 60.472 0.492 18431 5000 1 11 . 1 1 100 100 THR CB C 100 70.303 70.303 71.531 -1.228 18431 5001 1 11 . 1 1 100 100 THR H H 100 7.899 7.899 8.024 -0.125 18431 5002 1 11 . 1 1 101 101 LEU N N 101 124.047 124.047 121.938 2.109 18431 5003 1 11 . 1 1 101 101 LEU HA H 101 4.313 4.313 4.384 -0.071 18431 5004 1 11 . 1 1 101 101 LEU CA C 101 54.930 54.930 54.450 0.480 18431 5005 1 11 . 1 1 101 101 LEU CB C 101 42.501 42.501 42.611 -0.110 18431 5006 1 11 . 1 1 101 101 LEU H H 101 8.847 8.847 8.103 0.744 18431 5007 1 11 . 1 1 102 102 LYS N N 102 124.883 124.883 121.017 3.866 18431 5008 1 11 . 1 1 102 102 LYS HA H 102 4.415 4.415 4.325 0.090 18431 5009 1 11 . 1 1 102 102 LYS CA C 102 55.588 55.588 56.105 -0.517 18431 5010 1 11 . 1 1 102 102 LYS CB C 102 32.596 32.596 32.810 -0.214 18431 5011 1 11 . 1 1 102 102 LYS H H 102 8.578 8.578 8.292 0.286 18431 5012 1 11 . 1 1 103 103 VAL N N 103 122.753 122.753 126.312 -3.559 18431 5013 1 11 . 1 1 103 103 VAL HA H 103 4.237 4.237 4.412 -0.175 18431 5014 1 11 . 1 1 103 103 VAL CA C 103 61.956 61.956 62.218 -0.262 18431 5015 1 11 . 1 1 103 103 VAL CB C 103 32.747 32.747 31.861 0.886 18431 5016 1 11 . 1 1 103 103 VAL H H 103 8.348 8.348 8.508 -0.160 18431 5017 1 12 . 1 1 9 9 ALA N N 9 123.345 123.345 126.187 -2.842 18431 5018 1 12 . 1 1 9 9 ALA HA H 9 4.549 4.549 4.381 0.168 18431 5019 1 12 . 1 1 9 9 ALA CA C 9 50.151 50.151 51.177 -1.026 18431 5020 1 12 . 1 1 9 9 ALA CB C 9 18.185 18.185 18.719 -0.534 18431 5021 1 12 . 1 1 9 9 ALA H H 9 7.992 7.992 8.510 -0.518 18431 5022 1 12 . 1 1 10 10 PRO HA H 10 4.299 4.299 4.385 -0.086 18431 5023 1 12 . 1 1 10 10 PRO CA C 10 62.937 62.937 62.533 0.404 18431 5024 1 12 . 1 1 10 10 PRO CB C 10 31.902 31.902 32.476 -0.574 18431 5025 1 12 . 1 1 11 11 ASN N N 11 117.877 117.877 120.340 -2.463 18431 5026 1 12 . 1 1 11 11 ASN HA H 11 4.646 4.646 4.807 -0.161 18431 5027 1 12 . 1 1 11 11 ASN CA C 11 53.077 53.077 53.007 0.070 18431 5028 1 12 . 1 1 11 11 ASN CB C 11 38.590 38.590 38.362 0.228 18431 5029 1 12 . 1 1 11 11 ASN H H 11 8.467 8.467 8.691 -0.224 18431 5030 1 12 . 1 1 12 12 LEU N N 12 122.874 122.874 115.073 7.801 18431 5031 1 12 . 1 1 12 12 LEU HA H 12 4.290 4.290 4.909 -0.619 18431 5032 1 12 . 1 1 12 12 LEU CA C 12 55.170 55.170 55.315 -0.145 18431 5033 1 12 . 1 1 12 12 LEU CB C 12 42.131 42.131 42.725 -0.594 18431 5034 1 12 . 1 1 12 12 LEU H H 12 8.196 8.196 7.768 0.428 18431 5035 1 12 . 1 1 13 13 ALA N N 13 123.854 123.854 121.550 2.304 18431 5036 1 12 . 1 1 13 13 ALA HA H 13 4.243 4.243 4.854 -0.611 18431 5037 1 12 . 1 1 13 13 ALA CA C 13 52.672 52.672 53.105 -0.433 18431 5038 1 12 . 1 1 13 13 ALA CB C 13 18.923 18.923 20.246 -1.323 18431 5039 1 12 . 1 1 13 13 ALA H H 13 8.214 8.214 8.329 -0.115 18431 5040 1 12 . 1 1 14 14 GLY N N 14 107.993 107.993 106.347 1.646 18431 5041 1 12 . 1 1 14 14 GLY CA C 14 44.989 44.989 44.702 0.287 18431 5042 1 12 . 1 1 14 14 GLY H H 14 8.246 8.246 8.044 0.202 18431 5043 1 12 . 1 1 15 15 ALA N N 15 123.594 123.594 120.579 3.015 18431 5044 1 12 . 1 1 15 15 ALA HA H 15 4.330 4.330 4.061 0.269 18431 5045 1 12 . 1 1 15 15 ALA CA C 15 52.147 52.147 52.298 -0.151 18431 5046 1 12 . 1 1 15 15 ALA CB C 15 18.941 18.941 17.330 1.611 18431 5047 1 12 . 1 1 15 15 ALA H H 15 8.017 8.017 7.957 0.060 18431 5048 1 12 . 1 1 16 16 VAL N N 16 119.010 119.010 113.222 5.788 18431 5049 1 12 . 1 1 16 16 VAL HA H 16 4.036 4.036 3.917 0.119 18431 5050 1 12 . 1 1 16 16 VAL CA C 16 62.127 62.127 64.710 -2.583 18431 5051 1 12 . 1 1 16 16 VAL CB C 16 32.727 32.727 31.757 0.970 18431 5052 1 12 . 1 1 16 16 VAL H H 16 8.060 8.060 8.092 -0.032 18431 5053 1 12 . 1 1 17 17 GLU N N 17 124.211 124.211 120.059 4.152 18431 5054 1 12 . 1 1 17 17 GLU HA H 17 4.429 4.429 4.312 0.117 18431 5055 1 12 . 1 1 17 17 GLU CA C 17 57.429 57.429 55.159 2.270 18431 5056 1 12 . 1 1 17 17 GLU CB C 17 29.421 29.421 30.131 -0.710 18431 5057 1 12 . 1 1 17 17 GLU H H 17 8.436 8.436 7.924 0.512 18431 5058 1 12 . 1 1 18 18 PHE HA H 18 4.291 4.291 4.330 -0.039 18431 5059 1 12 . 1 1 18 18 PHE CA C 18 60.955 60.955 60.254 0.701 18431 5060 1 12 . 1 1 18 18 PHE CB C 18 38.464 38.464 39.085 -0.621 18431 5061 1 12 . 1 1 19 19 SER N N 19 112.147 112.147 114.026 -1.879 18431 5062 1 12 . 1 1 19 19 SER HA H 19 3.659 3.659 3.817 -0.158 18431 5063 1 12 . 1 1 19 19 SER CA C 19 61.576 61.576 61.575 0.001 18431 5064 1 12 . 1 1 19 19 SER CB C 19 61.649 61.649 62.368 -0.719 18431 5065 1 12 . 1 1 19 19 SER H H 19 8.871 8.871 8.469 0.402 18431 5066 1 12 . 1 1 20 20 ASP N N 20 120.916 120.916 121.986 -1.070 18431 5067 1 12 . 1 1 20 20 ASP HA H 20 4.492 4.492 4.542 -0.050 18431 5068 1 12 . 1 1 20 20 ASP CA C 20 56.696 56.696 56.115 0.581 18431 5069 1 12 . 1 1 20 20 ASP CB C 20 40.543 40.543 40.733 -0.190 18431 5070 1 12 . 1 1 20 20 ASP H H 20 7.019 7.019 7.545 -0.526 18431 5071 1 12 . 1 1 21 21 VAL HA H 21 3.224 3.224 3.564 -0.340 18431 5072 1 12 . 1 1 21 21 VAL CA C 21 66.801 66.801 65.968 0.833 18431 5073 1 12 . 1 1 21 21 VAL CB C 21 31.741 31.741 31.766 -0.025 18431 5074 1 12 . 1 1 22 22 LYS HA H 22 3.435 3.435 3.867 -0.432 18431 5075 1 12 . 1 1 22 22 LYS CA C 22 60.282 60.282 59.646 0.636 18431 5076 1 12 . 1 1 22 22 LYS CB C 22 31.283 31.283 30.959 0.324 18431 5077 1 12 . 1 1 23 23 THR N N 23 116.224 116.224 116.586 -0.362 18431 5078 1 12 . 1 1 23 23 THR HA H 23 3.796 3.796 4.092 -0.296 18431 5079 1 12 . 1 1 23 23 THR CA C 23 66.591 66.591 67.174 -0.583 18431 5080 1 12 . 1 1 23 23 THR CB C 23 68.361 68.361 68.651 -0.290 18431 5081 1 12 . 1 1 23 23 THR H H 23 7.391 7.391 7.488 -0.097 18431 5082 1 12 . 1 1 24 24 LEU HA H 24 4.022 4.022 4.087 -0.065 18431 5083 1 12 . 1 1 24 24 LEU CA C 24 57.911 57.911 58.033 -0.122 18431 5084 1 12 . 1 1 24 24 LEU CB C 24 42.110 42.110 41.777 0.333 18431 5085 1 12 . 1 1 24 24 LEU H H 24 7.699 7.699 7.400 0.299 18431 5086 1 12 . 1 1 25 25 LEU N N 25 118.389 118.389 119.712 -1.323 18431 5087 1 12 . 1 1 25 25 LEU HA H 25 4.135 4.135 4.182 -0.047 18431 5088 1 12 . 1 1 25 25 LEU CA C 25 57.864 57.864 58.510 -0.646 18431 5089 1 12 . 1 1 25 25 LEU CB C 25 42.653 42.653 41.871 0.782 18431 5090 1 12 . 1 1 25 25 LEU H H 25 8.331 8.331 8.168 0.163 18431 5091 1 12 . 1 1 26 26 LYS N N 26 118.433 118.433 119.093 -0.660 18431 5092 1 12 . 1 1 26 26 LYS HA H 26 3.833 3.833 3.849 -0.016 18431 5093 1 12 . 1 1 26 26 LYS CA C 26 60.095 60.095 59.454 0.641 18431 5094 1 12 . 1 1 26 26 LYS CB C 26 31.623 31.623 32.101 -0.478 18431 5095 1 12 . 1 1 26 26 LYS H H 26 8.464 8.464 8.183 0.281 18431 5096 1 12 . 1 1 27 27 GLU N N 27 120.838 120.838 119.098 1.740 18431 5097 1 12 . 1 1 27 27 GLU HA H 27 3.945 3.945 4.222 -0.277 18431 5098 1 12 . 1 1 27 27 GLU CA C 27 59.509 59.509 58.722 0.787 18431 5099 1 12 . 1 1 27 27 GLU CB C 27 29.199 29.199 29.829 -0.630 18431 5100 1 12 . 1 1 27 27 GLU H H 27 8.246 8.246 8.194 0.052 18431 5101 1 12 . 1 1 28 28 TRP N N 28 122.200 122.200 121.807 0.393 18431 5102 1 12 . 1 1 28 28 TRP HA H 28 4.597 4.597 4.610 -0.013 18431 5103 1 12 . 1 1 28 28 TRP CA C 28 59.443 59.443 60.677 -1.234 18431 5104 1 12 . 1 1 28 28 TRP CB C 28 29.083 29.083 29.480 -0.397 18431 5105 1 12 . 1 1 28 28 TRP H H 28 8.143 8.143 8.349 -0.206 18431 5106 1 12 . 1 1 29 29 ILE N N 29 114.954 114.954 116.808 -1.854 18431 5107 1 12 . 1 1 29 29 ILE HA H 29 2.742 2.742 3.342 -0.600 18431 5108 1 12 . 1 1 29 29 ILE CA C 29 62.759 62.759 62.822 -0.063 18431 5109 1 12 . 1 1 29 29 ILE CB C 29 37.992 37.992 38.095 -0.103 18431 5110 1 12 . 1 1 29 29 ILE H H 29 7.999 7.999 7.502 0.497 18431 5111 1 12 . 1 1 30 30 THR N N 30 106.869 106.869 113.864 -6.995 18431 5112 1 12 . 1 1 30 30 THR HA H 30 4.117 4.117 4.129 -0.012 18431 5113 1 12 . 1 1 30 30 THR CA C 30 63.447 63.447 65.382 -1.935 18431 5114 1 12 . 1 1 30 30 THR CB C 30 70.045 70.045 69.378 0.667 18431 5115 1 12 . 1 1 30 30 THR H H 30 7.622 7.622 7.632 -0.010 18431 5116 1 12 . 1 1 31 31 THR N N 31 111.890 111.890 115.136 -3.246 18431 5117 1 12 . 1 1 31 31 THR HA H 31 4.503 4.503 4.146 0.357 18431 5118 1 12 . 1 1 31 31 THR CA C 31 63.231 63.231 64.478 -1.247 18431 5119 1 12 . 1 1 31 31 THR CB C 31 70.556 70.556 69.130 1.426 18431 5120 1 12 . 1 1 31 31 THR H H 31 7.588 7.588 8.026 -0.438 18431 5121 1 12 . 1 1 32 32 ILE N N 32 123.663 123.663 121.633 2.030 18431 5122 1 12 . 1 1 32 32 ILE HA H 32 4.499 4.499 4.273 0.226 18431 5123 1 12 . 1 1 32 32 ILE CA C 32 59.426 59.426 59.942 -0.516 18431 5124 1 12 . 1 1 32 32 ILE CB C 32 37.378 37.378 38.368 -0.990 18431 5125 1 12 . 1 1 32 32 ILE H H 32 7.929 7.929 7.589 0.340 18431 5126 1 12 . 1 1 33 33 SER N N 33 119.544 119.544 116.120 3.424 18431 5127 1 12 . 1 1 33 33 SER HA H 33 4.523 4.523 4.823 -0.300 18431 5128 1 12 . 1 1 33 33 SER CA C 33 59.189 59.189 59.153 0.036 18431 5129 1 12 . 1 1 33 33 SER CB C 33 63.838 63.838 65.748 -1.910 18431 5130 1 12 . 1 1 33 33 SER H H 33 8.418 8.418 8.700 -0.282 18431 5131 1 12 . 1 1 34 34 ASP HA H 34 4.821 4.821 4.813 0.008 18431 5132 1 12 . 1 1 34 34 ASP CA C 34 51.168 51.168 50.974 0.194 18431 5133 1 12 . 1 1 34 34 ASP CB C 34 41.139 41.139 41.654 -0.515 18431 5134 1 12 . 1 1 34 34 ASP H H 34 7.730 7.730 8.044 -0.314 18431 5135 1 12 . 1 1 35 35 PRO HA H 35 4.167 4.167 4.464 -0.297 18431 5136 1 12 . 1 1 35 35 PRO CA C 35 62.085 62.085 62.816 -0.731 18431 5137 1 12 . 1 1 35 35 PRO CB C 35 31.767 31.767 32.794 -1.027 18431 5138 1 12 . 1 1 36 36 MET N N 36 121.309 121.309 118.220 3.089 18431 5139 1 12 . 1 1 36 36 MET HA H 36 4.565 4.565 4.515 0.050 18431 5140 1 12 . 1 1 36 36 MET CA C 36 53.867 53.867 54.718 -0.851 18431 5141 1 12 . 1 1 36 36 MET CB C 36 32.411 32.411 35.136 -2.725 18431 5142 1 12 . 1 1 36 36 MET H H 36 9.165 9.165 8.207 0.958 18431 5143 1 12 . 1 1 37 37 GLU N N 37 125.284 125.284 120.747 4.537 18431 5144 1 12 . 1 1 37 37 GLU HA H 37 3.744 3.744 3.878 -0.134 18431 5145 1 12 . 1 1 37 37 GLU CA C 37 60.307 60.307 59.547 0.759 18431 5146 1 12 . 1 1 37 37 GLU CB C 37 29.448 29.448 28.885 0.563 18431 5147 1 12 . 1 1 37 37 GLU H H 37 9.034 9.034 8.866 0.168 18431 5148 1 12 . 1 1 38 38 GLU N N 38 116.000 116.000 117.846 -1.846 18431 5149 1 12 . 1 1 38 38 GLU HA H 38 4.003 4.003 4.065 -0.062 18431 5150 1 12 . 1 1 38 38 GLU CA C 38 59.588 59.588 59.092 0.496 18431 5151 1 12 . 1 1 38 38 GLU CB C 38 29.280 29.280 28.810 0.470 18431 5152 1 12 . 1 1 38 38 GLU H H 38 9.356 9.356 8.882 0.474 18431 5153 1 12 . 1 1 39 39 ASP N N 39 118.974 118.974 120.733 -1.759 18431 5154 1 12 . 1 1 39 39 ASP HA H 39 4.493 4.493 4.393 0.100 18431 5155 1 12 . 1 1 39 39 ASP CA C 39 57.231 57.231 57.150 0.081 18431 5156 1 12 . 1 1 39 39 ASP CB C 39 41.226 41.226 40.331 0.895 18431 5157 1 12 . 1 1 39 39 ASP H H 39 7.169 7.169 7.900 -0.731 18431 5158 1 12 . 1 1 40 40 ILE N N 40 120.269 120.269 119.285 0.984 18431 5159 1 12 . 1 1 40 40 ILE HA H 40 3.845 3.845 4.024 -0.179 18431 5160 1 12 . 1 1 40 40 ILE CA C 40 65.345 65.345 64.730 0.615 18431 5161 1 12 . 1 1 40 40 ILE CB C 40 37.500 37.500 37.967 -0.467 18431 5162 1 12 . 1 1 40 40 ILE H H 40 7.766 7.766 7.300 0.466 18431 5163 1 12 . 1 1 41 41 LEU N N 41 118.715 118.715 120.063 -1.348 18431 5164 1 12 . 1 1 41 41 LEU HA H 41 4.131 4.131 4.180 -0.049 18431 5165 1 12 . 1 1 41 41 LEU CA C 41 57.835 57.835 57.174 0.661 18431 5166 1 12 . 1 1 41 41 LEU CB C 41 40.819 40.819 40.619 0.200 18431 5167 1 12 . 1 1 41 41 LEU H H 41 8.726 8.726 7.702 1.024 18431 5168 1 12 . 1 1 42 42 GLN N N 42 119.539 119.539 119.231 0.308 18431 5169 1 12 . 1 1 42 42 GLN HA H 42 4.177 4.177 4.088 0.089 18431 5170 1 12 . 1 1 42 42 GLN CA C 42 59.241 59.241 59.079 0.162 18431 5171 1 12 . 1 1 42 42 GLN CB C 42 28.518 28.518 28.619 -0.101 18431 5172 1 12 . 1 1 42 42 GLN H H 42 7.768 7.768 8.193 -0.425 18431 5173 1 12 . 1 1 43 43 VAL N N 43 121.194 121.194 116.145 5.049 18431 5174 1 12 . 1 1 43 43 VAL HA H 43 3.787 3.787 3.771 0.016 18431 5175 1 12 . 1 1 43 43 VAL CA C 43 66.760 66.760 66.165 0.595 18431 5176 1 12 . 1 1 43 43 VAL CB C 43 31.423 31.423 31.232 0.192 18431 5177 1 12 . 1 1 43 43 VAL H H 43 7.712 7.712 7.520 0.192 18431 5178 1 12 . 1 1 44 44 VAL N N 44 120.876 120.876 120.317 0.559 18431 5179 1 12 . 1 1 44 44 VAL HA H 44 3.422 3.422 3.807 -0.385 18431 5180 1 12 . 1 1 44 44 VAL CA C 44 67.910 67.910 66.041 1.869 18431 5181 1 12 . 1 1 44 44 VAL CB C 44 31.392 31.392 30.851 0.541 18431 5182 1 12 . 1 1 44 44 VAL H H 44 8.232 8.232 7.412 0.820 18431 5183 1 12 . 1 1 45 45 ARG N N 45 120.934 120.934 119.915 1.019 18431 5184 1 12 . 1 1 45 45 ARG HA H 45 4.148 4.148 4.076 0.072 18431 5185 1 12 . 1 1 45 45 ARG CA C 45 58.593 58.593 58.746 -0.153 18431 5186 1 12 . 1 1 45 45 ARG CB C 45 29.608 29.608 29.308 0.300 18431 5187 1 12 . 1 1 45 45 ARG H H 45 8.489 8.489 7.752 0.737 18431 5188 1 12 . 1 1 46 46 TYR N N 46 120.548 120.548 121.145 -0.597 18431 5189 1 12 . 1 1 46 46 TYR HA H 46 4.547 4.547 4.282 0.265 18431 5190 1 12 . 1 1 46 46 TYR CA C 46 60.926 60.926 61.092 -0.166 18431 5191 1 12 . 1 1 46 46 TYR CB C 46 38.447 38.447 38.152 0.295 18431 5192 1 12 . 1 1 46 46 TYR H H 46 7.870 7.870 7.658 0.212 18431 5193 1 12 . 1 1 47 47 CYS N N 47 115.132 115.132 117.909 -2.777 18431 5194 1 12 . 1 1 47 47 CYS HA H 47 3.738 3.738 3.712 0.026 18431 5195 1 12 . 1 1 47 47 CYS CA C 47 64.313 64.313 63.742 0.571 18431 5196 1 12 . 1 1 47 47 CYS CB C 47 27.744 27.744 27.710 0.034 18431 5197 1 12 . 1 1 47 47 CYS H H 47 8.109 8.109 7.719 0.390 18431 5198 1 12 . 1 1 48 48 THR N N 48 114.153 114.153 116.166 -2.013 18431 5199 1 12 . 1 1 48 48 THR HA H 48 3.877 3.877 3.972 -0.095 18431 5200 1 12 . 1 1 48 48 THR CA C 48 66.755 66.755 67.448 -0.693 18431 5201 1 12 . 1 1 48 48 THR CB C 48 67.593 67.593 68.366 -0.773 18431 5202 1 12 . 1 1 48 48 THR H H 48 8.776 8.776 8.463 0.313 18431 5203 1 12 . 1 1 49 49 ASP N N 49 126.528 126.528 121.032 5.496 18431 5204 1 12 . 1 1 49 49 ASP HA H 49 4.425 4.425 4.499 -0.074 18431 5205 1 12 . 1 1 49 49 ASP CA C 49 57.688 57.688 56.924 0.764 18431 5206 1 12 . 1 1 49 49 ASP CB C 49 39.249 39.249 40.471 -1.222 18431 5207 1 12 . 1 1 49 49 ASP H H 49 8.697 8.697 7.774 0.923 18431 5208 1 12 . 1 1 50 50 LEU HA H 50 3.924 3.924 3.923 0.001 18431 5209 1 12 . 1 1 50 50 LEU CA C 50 58.157 58.157 57.639 0.518 18431 5210 1 12 . 1 1 50 50 LEU CB C 50 41.408 41.408 41.958 -0.550 18431 5211 1 12 . 1 1 51 51 ILE N N 51 118.832 118.832 117.531 1.301 18431 5212 1 12 . 1 1 51 51 ILE HA H 51 3.417 3.417 3.721 -0.304 18431 5213 1 12 . 1 1 51 51 ILE CA C 51 66.261 66.261 65.019 1.242 18431 5214 1 12 . 1 1 51 51 ILE CB C 51 37.691 37.691 37.361 0.330 18431 5215 1 12 . 1 1 51 51 ILE H H 51 7.639 7.639 7.535 0.104 18431 5216 1 12 . 1 1 52 52 GLU N N 52 123.247 123.247 119.238 4.009 18431 5217 1 12 . 1 1 52 52 GLU HA H 52 4.001 4.001 4.145 -0.144 18431 5218 1 12 . 1 1 52 52 GLU CA C 52 59.592 59.592 58.664 0.928 18431 5219 1 12 . 1 1 52 52 GLU CB C 52 29.068 29.068 29.695 -0.627 18431 5220 1 12 . 1 1 52 52 GLU H H 52 8.506 8.506 7.963 0.543 18431 5221 1 12 . 1 1 53 53 GLU N N 53 116.384 116.384 116.225 0.159 18431 5222 1 12 . 1 1 53 53 GLU HA H 53 4.294 4.294 4.447 -0.153 18431 5223 1 12 . 1 1 53 53 GLU CA C 53 55.907 55.907 55.870 0.037 18431 5224 1 12 . 1 1 53 53 GLU CB C 53 29.710 29.710 29.546 0.164 18431 5225 1 12 . 1 1 53 53 GLU H H 53 7.716 7.716 7.713 0.003 18431 5226 1 12 . 1 1 54 54 LYS N N 54 116.934 116.934 114.693 2.241 18431 5227 1 12 . 1 1 54 54 LYS HA H 54 3.662 3.662 3.966 -0.304 18431 5228 1 12 . 1 1 54 54 LYS CA C 54 57.278 57.278 57.936 -0.658 18431 5229 1 12 . 1 1 54 54 LYS CB C 54 29.785 29.785 30.154 -0.369 18431 5230 1 12 . 1 1 54 54 LYS H H 54 8.089 8.089 7.507 0.582 18431 5231 1 12 . 1 1 55 55 ASP N N 55 122.549 122.549 119.434 3.115 18431 5232 1 12 . 1 1 55 55 ASP HA H 55 5.058 5.058 4.789 0.269 18431 5233 1 12 . 1 1 55 55 ASP CA C 55 51.306 51.306 53.086 -1.780 18431 5234 1 12 . 1 1 55 55 ASP CB C 55 38.856 38.856 40.378 -1.522 18431 5235 1 12 . 1 1 55 55 ASP H H 55 8.497 8.497 8.337 0.160 18431 5236 1 12 . 1 1 56 56 LEU N N 56 119.627 119.627 118.098 1.529 18431 5237 1 12 . 1 1 56 56 LEU HA H 56 3.901 3.901 4.227 -0.326 18431 5238 1 12 . 1 1 56 56 LEU CA C 56 56.528 56.528 55.639 0.888 18431 5239 1 12 . 1 1 56 56 LEU CB C 56 40.034 40.034 40.221 -0.187 18431 5240 1 12 . 1 1 56 56 LEU H H 56 7.578 7.578 8.014 -0.436 18431 5241 1 12 . 1 1 57 57 GLU N N 57 121.433 121.433 120.362 1.071 18431 5242 1 12 . 1 1 57 57 GLU HA H 57 4.041 4.041 3.901 0.140 18431 5243 1 12 . 1 1 57 57 GLU CA C 57 59.321 59.321 59.542 -0.221 18431 5244 1 12 . 1 1 57 57 GLU CB C 57 29.229 29.229 29.073 0.156 18431 5245 1 12 . 1 1 57 57 GLU H H 57 8.614 8.614 8.404 0.210 18431 5246 1 12 . 1 1 58 58 LYS N N 58 119.832 119.832 117.638 2.194 18431 5247 1 12 . 1 1 58 58 LYS HA H 58 3.760 3.760 3.927 -0.167 18431 5248 1 12 . 1 1 58 58 LYS CA C 58 59.273 59.273 57.569 1.704 18431 5249 1 12 . 1 1 58 58 LYS CB C 58 32.370 32.370 31.749 0.621 18431 5250 1 12 . 1 1 58 58 LYS H H 58 7.527 7.527 7.514 0.013 18431 5251 1 12 . 1 1 59 59 LEU N N 59 117.844 117.844 121.880 -4.036 18431 5252 1 12 . 1 1 59 59 LEU HA H 59 3.912 3.912 3.999 -0.087 18431 5253 1 12 . 1 1 59 59 LEU CA C 59 57.865 57.865 57.714 0.151 18431 5254 1 12 . 1 1 59 59 LEU CB C 59 41.382 41.382 41.446 -0.064 18431 5255 1 12 . 1 1 59 59 LEU H H 59 7.570 7.570 7.555 0.015 18431 5256 1 12 . 1 1 60 60 ASP N N 60 117.630 117.630 118.616 -0.986 18431 5257 1 12 . 1 1 60 60 ASP HA H 60 4.273 4.273 4.306 -0.033 18431 5258 1 12 . 1 1 60 60 ASP CA C 60 57.695 57.695 57.217 0.478 18431 5259 1 12 . 1 1 60 60 ASP CB C 60 42.074 42.074 40.648 1.426 18431 5260 1 12 . 1 1 60 60 ASP H H 60 7.849 7.849 8.023 -0.174 18431 5261 1 12 . 1 1 61 61 LEU N N 61 116.500 116.500 117.606 -1.106 18431 5262 1 12 . 1 1 61 61 LEU HA H 61 3.924 3.924 4.113 -0.189 18431 5263 1 12 . 1 1 61 61 LEU CA C 61 57.886 57.886 56.754 1.132 18431 5264 1 12 . 1 1 61 61 LEU CB C 61 41.825 41.825 41.728 0.097 18431 5265 1 12 . 1 1 61 61 LEU H H 61 7.484 7.484 7.211 0.273 18431 5266 1 12 . 1 1 62 62 VAL N N 62 120.681 120.681 119.876 0.805 18431 5267 1 12 . 1 1 62 62 VAL HA H 62 3.963 3.963 3.917 0.046 18431 5268 1 12 . 1 1 62 62 VAL CA C 62 66.843 66.843 66.384 0.459 18431 5269 1 12 . 1 1 62 62 VAL CB C 62 31.954 31.954 31.769 0.185 18431 5270 1 12 . 1 1 62 62 VAL H H 62 8.682 8.682 7.362 1.320 18431 5271 1 12 . 1 1 63 63 ILE N N 63 122.448 122.448 119.466 2.982 18431 5272 1 12 . 1 1 63 63 ILE HA H 63 3.995 3.995 3.842 0.153 18431 5273 1 12 . 1 1 63 63 ILE CA C 63 63.777 63.777 64.083 -0.306 18431 5274 1 12 . 1 1 63 63 ILE CB C 63 35.707 35.707 36.366 -0.659 18431 5275 1 12 . 1 1 63 63 ILE H H 63 8.824 8.824 8.442 0.382 18431 5276 1 12 . 1 1 64 64 LYS N N 64 118.898 118.898 118.938 -0.040 18431 5277 1 12 . 1 1 64 64 LYS HA H 64 3.889 3.889 4.113 -0.224 18431 5278 1 12 . 1 1 64 64 LYS CA C 64 60.416 60.416 59.561 0.855 18431 5279 1 12 . 1 1 64 64 LYS CB C 64 32.563 32.563 32.264 0.299 18431 5280 1 12 . 1 1 64 64 LYS H H 64 8.368 8.368 7.915 0.453 18431 5281 1 12 . 1 1 65 65 TYR N N 65 121.217 121.217 121.510 -0.293 18431 5282 1 12 . 1 1 65 65 TYR HA H 65 4.330 4.330 4.358 -0.028 18431 5283 1 12 . 1 1 65 65 TYR CA C 65 61.779 61.779 60.912 0.867 18431 5284 1 12 . 1 1 65 65 TYR CB C 65 38.898 38.898 38.810 0.087 18431 5285 1 12 . 1 1 65 65 TYR H H 65 8.200 8.200 7.515 0.685 18431 5286 1 12 . 1 1 66 66 MET N N 66 116.741 116.741 118.409 -1.668 18431 5287 1 12 . 1 1 66 66 MET HA H 66 3.682 3.682 4.013 -0.331 18431 5288 1 12 . 1 1 66 66 MET CA C 66 60.444 60.444 59.313 1.131 18431 5289 1 12 . 1 1 66 66 MET CB C 66 33.627 33.627 33.235 0.392 18431 5290 1 12 . 1 1 66 66 MET H H 66 8.681 8.681 8.934 -0.253 18431 5291 1 12 . 1 1 67 67 LYS N N 67 119.826 119.826 117.970 1.856 18431 5292 1 12 . 1 1 67 67 LYS HA H 67 2.637 2.637 3.195 -0.558 18431 5293 1 12 . 1 1 67 67 LYS CA C 67 59.949 59.949 58.934 1.015 18431 5294 1 12 . 1 1 67 67 LYS CB C 67 32.596 32.596 31.572 1.024 18431 5295 1 12 . 1 1 67 67 LYS H H 67 8.563 8.563 8.104 0.459 18431 5296 1 12 . 1 1 68 68 ARG N N 68 116.343 116.343 118.235 -1.892 18431 5297 1 12 . 1 1 68 68 ARG HA H 68 3.859 3.859 4.458 -0.599 18431 5298 1 12 . 1 1 68 68 ARG CA C 68 58.254 58.254 57.961 0.293 18431 5299 1 12 . 1 1 68 68 ARG CB C 68 29.605 29.605 29.970 -0.365 18431 5300 1 12 . 1 1 68 68 ARG H H 68 7.117 7.117 7.458 -0.341 18431 5301 1 12 . 1 1 69 69 LEU N N 69 116.573 116.573 121.374 -4.801 18431 5302 1 12 . 1 1 69 69 LEU HA H 69 3.847 3.847 4.104 -0.257 18431 5303 1 12 . 1 1 69 69 LEU CA C 69 56.861 56.861 56.811 0.050 18431 5304 1 12 . 1 1 69 69 LEU CB C 69 42.950 42.950 42.142 0.808 18431 5305 1 12 . 1 1 69 69 LEU H H 69 7.360 7.360 7.484 -0.124 18431 5306 1 12 . 1 1 70 70 MET N N 70 115.874 115.874 116.993 -1.119 18431 5307 1 12 . 1 1 70 70 MET HA H 70 3.823 3.823 3.776 0.047 18431 5308 1 12 . 1 1 70 70 MET CA C 70 59.195 59.195 58.566 0.629 18431 5309 1 12 . 1 1 70 70 MET CB C 70 32.315 32.315 32.245 0.070 18431 5310 1 12 . 1 1 70 70 MET H H 70 8.769 8.769 8.195 0.574 18431 5311 1 12 . 1 1 71 71 GLN N N 71 114.286 114.286 117.723 -3.437 18431 5312 1 12 . 1 1 71 71 GLN HA H 71 4.416 4.416 3.911 0.505 18431 5313 1 12 . 1 1 71 71 GLN CA C 71 56.527 56.527 58.489 -1.962 18431 5314 1 12 . 1 1 71 71 GLN CB C 71 27.446 27.446 28.528 -1.082 18431 5315 1 12 . 1 1 71 71 GLN H H 71 7.522 7.522 7.657 -0.135 18431 5316 1 12 . 1 1 72 72 GLN N N 72 117.645 117.645 116.124 1.521 18431 5317 1 12 . 1 1 72 72 GLN HA H 72 4.198 4.198 4.017 0.181 18431 5318 1 12 . 1 1 72 72 GLN CA C 72 56.549 56.549 56.882 -0.333 18431 5319 1 12 . 1 1 72 72 GLN CB C 72 28.824 28.824 28.585 0.239 18431 5320 1 12 . 1 1 72 72 GLN H H 72 7.279 7.279 7.526 -0.247 18431 5321 1 12 . 1 1 73 73 SER N N 73 113.600 113.600 115.668 -2.068 18431 5322 1 12 . 1 1 73 73 SER HA H 73 4.504 4.504 4.444 0.060 18431 5323 1 12 . 1 1 73 73 SER CA C 73 57.600 57.600 57.535 0.065 18431 5324 1 12 . 1 1 73 73 SER CB C 73 63.542 63.542 64.360 -0.818 18431 5325 1 12 . 1 1 73 73 SER H H 73 7.588 7.588 7.410 0.178 18431 5326 1 12 . 1 1 74 74 VAL N N 74 121.652 121.652 117.193 4.459 18431 5327 1 12 . 1 1 74 74 VAL HA H 74 4.136 4.136 4.198 -0.062 18431 5328 1 12 . 1 1 74 74 VAL CA C 74 62.985 62.985 62.526 0.459 18431 5329 1 12 . 1 1 74 74 VAL CB C 74 31.797 31.797 32.402 -0.605 18431 5330 1 12 . 1 1 74 74 VAL H H 74 8.300 8.300 8.339 -0.039 18431 5331 1 12 . 1 1 75 75 GLU N N 75 120.481 120.481 122.222 -1.741 18431 5332 1 12 . 1 1 75 75 GLU HA H 75 4.415 4.415 4.388 0.027 18431 5333 1 12 . 1 1 75 75 GLU CA C 75 56.061 56.061 56.270 -0.208 18431 5334 1 12 . 1 1 75 75 GLU CB C 75 29.153 29.153 29.838 -0.685 18431 5335 1 12 . 1 1 75 75 GLU H H 75 8.486 8.486 8.592 -0.106 18431 5336 1 12 . 1 1 76 76 SER HA H 76 4.498 4.498 4.244 0.254 18431 5337 1 12 . 1 1 76 76 SER CA C 76 59.426 59.426 61.551 -2.125 18431 5338 1 12 . 1 1 76 76 SER CB C 76 64.071 64.071 62.954 1.117 18431 5339 1 12 . 1 1 76 76 SER H H 76 8.142 8.142 8.934 -0.792 18431 5340 1 12 . 1 1 77 77 VAL N N 77 122.712 122.712 121.434 1.278 18431 5341 1 12 . 1 1 77 77 VAL HA H 77 4.036 4.036 3.687 0.349 18431 5342 1 12 . 1 1 77 77 VAL CA C 77 64.600 64.600 65.971 -1.371 18431 5343 1 12 . 1 1 77 77 VAL CB C 77 30.843 30.843 31.639 -0.796 18431 5344 1 12 . 1 1 77 77 VAL H H 77 8.750 8.750 8.005 0.745 18431 5345 1 12 . 1 1 78 78 TRP N N 78 121.247 121.247 118.824 2.423 18431 5346 1 12 . 1 1 78 78 TRP HA H 78 4.507 4.507 4.335 0.172 18431 5347 1 12 . 1 1 78 78 TRP CA C 78 59.753 59.753 60.589 -0.836 18431 5348 1 12 . 1 1 78 78 TRP CB C 78 29.332 29.332 29.249 0.083 18431 5349 1 12 . 1 1 78 78 TRP H H 78 7.837 7.837 7.382 0.455 18431 5350 1 12 . 1 1 79 79 ASN N N 79 119.032 119.032 117.400 1.632 18431 5351 1 12 . 1 1 79 79 ASN HA H 79 4.382 4.382 4.489 -0.107 18431 5352 1 12 . 1 1 79 79 ASN CA C 79 57.406 57.406 56.831 0.575 18431 5353 1 12 . 1 1 79 79 ASN CB C 79 38.813 38.813 38.401 0.412 18431 5354 1 12 . 1 1 79 79 ASN H H 79 7.856 7.856 7.949 -0.093 18431 5355 1 12 . 1 1 80 80 MET N N 80 117.280 117.280 117.758 -0.478 18431 5356 1 12 . 1 1 80 80 MET HA H 80 4.383 4.383 4.433 -0.050 18431 5357 1 12 . 1 1 80 80 MET CA C 80 58.111 58.111 57.507 0.604 18431 5358 1 12 . 1 1 80 80 MET CB C 80 32.350 32.350 31.720 0.630 18431 5359 1 12 . 1 1 80 80 MET H H 80 7.765 7.765 8.710 -0.945 18431 5360 1 12 . 1 1 81 81 ALA N N 81 123.582 123.582 123.439 0.143 18431 5361 1 12 . 1 1 81 81 ALA HA H 81 4.220 4.220 4.119 0.101 18431 5362 1 12 . 1 1 81 81 ALA CA C 81 54.997 54.997 55.247 -0.250 18431 5363 1 12 . 1 1 81 81 ALA CB C 81 17.615 17.615 17.914 -0.299 18431 5364 1 12 . 1 1 81 81 ALA H H 81 8.019 8.019 7.833 0.186 18431 5365 1 12 . 1 1 82 82 PHE N N 82 117.853 117.853 119.631 -1.778 18431 5366 1 12 . 1 1 82 82 PHE HA H 82 4.201 4.201 4.300 -0.099 18431 5367 1 12 . 1 1 82 82 PHE CA C 82 62.679 62.679 60.650 2.030 18431 5368 1 12 . 1 1 82 82 PHE CB C 82 38.078 38.078 38.962 -0.884 18431 5369 1 12 . 1 1 82 82 PHE H H 82 8.455 8.455 8.624 -0.169 18431 5370 1 12 . 1 1 83 83 ASP N N 83 118.244 118.244 119.680 -1.436 18431 5371 1 12 . 1 1 83 83 ASP HA H 83 4.250 4.250 3.967 0.283 18431 5372 1 12 . 1 1 83 83 ASP CA C 83 57.602 57.602 57.625 -0.023 18431 5373 1 12 . 1 1 83 83 ASP CB C 83 40.117 40.117 40.403 -0.285 18431 5374 1 12 . 1 1 83 83 ASP H H 83 7.615 7.615 7.892 -0.277 18431 5375 1 12 . 1 1 84 84 PHE N N 84 120.090 120.090 120.728 -0.638 18431 5376 1 12 . 1 1 84 84 PHE HA H 84 4.319 4.319 4.241 0.078 18431 5377 1 12 . 1 1 84 84 PHE CA C 84 61.110 61.110 61.507 -0.397 18431 5378 1 12 . 1 1 84 84 PHE CB C 84 39.225 39.225 39.620 -0.395 18431 5379 1 12 . 1 1 84 84 PHE H H 84 7.849 7.849 7.640 0.209 18431 5380 1 12 . 1 1 85 85 ILE N N 85 122.915 122.915 120.160 2.755 18431 5381 1 12 . 1 1 85 85 ILE HA H 85 3.372 3.372 3.648 -0.276 18431 5382 1 12 . 1 1 85 85 ILE CA C 85 65.864 65.864 66.098 -0.234 18431 5383 1 12 . 1 1 85 85 ILE CB C 85 38.422 38.422 38.038 0.384 18431 5384 1 12 . 1 1 85 85 ILE H H 85 8.687 8.687 8.686 0.001 18431 5385 1 12 . 1 1 86 86 LEU N N 86 119.481 119.481 117.696 1.785 18431 5386 1 12 . 1 1 86 86 LEU HA H 86 3.715 3.715 3.905 -0.190 18431 5387 1 12 . 1 1 86 86 LEU CA C 86 57.875 57.875 58.365 -0.490 18431 5388 1 12 . 1 1 86 86 LEU CB C 86 40.602 40.602 40.705 -0.103 18431 5389 1 12 . 1 1 86 86 LEU H H 86 8.682 8.682 8.257 0.425 18431 5390 1 12 . 1 1 87 87 ASP N N 87 118.290 118.290 119.148 -0.858 18431 5391 1 12 . 1 1 87 87 ASP HA H 87 4.255 4.255 4.211 0.044 18431 5392 1 12 . 1 1 87 87 ASP CA C 87 57.604 57.604 57.004 0.600 18431 5393 1 12 . 1 1 87 87 ASP CB C 87 40.580 40.580 40.348 0.232 18431 5394 1 12 . 1 1 87 87 ASP H H 87 8.301 8.301 7.672 0.629 18431 5395 1 12 . 1 1 88 88 ASN N N 88 115.606 115.606 117.886 -2.280 18431 5396 1 12 . 1 1 88 88 ASN HA H 88 4.139 4.139 4.360 -0.221 18431 5397 1 12 . 1 1 88 88 ASN CA C 88 57.067 57.067 56.046 1.021 18431 5398 1 12 . 1 1 88 88 ASN CB C 88 39.734 39.734 38.927 0.807 18431 5399 1 12 . 1 1 88 88 ASN H H 88 7.421 7.421 7.886 -0.465 18431 5400 1 12 . 1 1 89 89 VAL N N 89 120.092 120.092 117.023 3.069 18431 5401 1 12 . 1 1 89 89 VAL HA H 89 3.421 3.421 3.906 -0.485 18431 5402 1 12 . 1 1 89 89 VAL CA C 89 66.777 66.777 65.935 0.842 18431 5403 1 12 . 1 1 89 89 VAL CB C 89 31.592 31.592 30.860 0.732 18431 5404 1 12 . 1 1 89 89 VAL H H 89 8.367 8.367 7.709 0.658 18431 5405 1 12 . 1 1 90 90 GLN N N 90 118.315 118.315 118.767 -0.452 18431 5406 1 12 . 1 1 90 90 GLN HA H 90 4.427 4.427 4.123 0.304 18431 5407 1 12 . 1 1 90 90 GLN CA C 90 58.918 58.918 58.510 0.408 18431 5408 1 12 . 1 1 90 90 GLN CB C 90 28.471 28.471 28.618 -0.147 18431 5409 1 12 . 1 1 90 90 GLN H H 90 8.780 8.780 8.168 0.612 18431 5410 1 12 . 1 1 91 91 VAL N N 91 118.757 118.757 120.866 -2.109 18431 5411 1 12 . 1 1 91 91 VAL HA H 91 3.720 3.720 3.734 -0.014 18431 5412 1 12 . 1 1 91 91 VAL CA C 91 66.303 66.303 65.870 0.433 18431 5413 1 12 . 1 1 91 91 VAL CB C 91 31.641 31.641 31.562 0.079 18431 5414 1 12 . 1 1 91 91 VAL H H 91 7.640 7.640 7.900 -0.260 18431 5415 1 12 . 1 1 92 92 VAL N N 92 120.289 120.289 119.598 0.691 18431 5416 1 12 . 1 1 92 92 VAL HA H 92 3.728 3.728 3.641 0.087 18431 5417 1 12 . 1 1 92 92 VAL CA C 92 66.270 66.270 66.219 0.051 18431 5418 1 12 . 1 1 92 92 VAL CB C 92 31.354 31.354 31.833 -0.479 18431 5419 1 12 . 1 1 92 92 VAL H H 92 7.382 7.382 7.681 -0.299 18431 5420 1 12 . 1 1 93 93 LEU N N 93 123.817 123.817 116.457 7.360 18431 5421 1 12 . 1 1 93 93 LEU HA H 93 4.038 4.038 4.304 -0.266 18431 5422 1 12 . 1 1 93 93 LEU CA C 93 58.777 58.777 57.754 1.023 18431 5423 1 12 . 1 1 93 93 LEU CB C 93 41.790 41.790 41.289 0.501 18431 5424 1 12 . 1 1 93 93 LEU H H 93 8.813 8.813 7.383 1.430 18431 5425 1 12 . 1 1 94 94 GLN N N 94 119.660 119.660 119.570 0.090 18431 5426 1 12 . 1 1 94 94 GLN HA H 94 3.990 3.990 4.283 -0.293 18431 5427 1 12 . 1 1 94 94 GLN CA C 94 58.977 58.977 58.569 0.408 18431 5428 1 12 . 1 1 94 94 GLN CB C 94 28.270 28.270 28.466 -0.196 18431 5429 1 12 . 1 1 94 94 GLN H H 94 8.469 8.469 7.814 0.655 18431 5430 1 12 . 1 1 95 95 GLN N N 95 117.593 117.593 117.118 0.475 18431 5431 1 12 . 1 1 95 95 GLN HA H 95 4.068 4.068 4.158 -0.090 18431 5432 1 12 . 1 1 95 95 GLN CA C 95 57.991 57.991 58.169 -0.177 18431 5433 1 12 . 1 1 95 95 GLN CB C 95 28.548 28.548 28.749 -0.201 18431 5434 1 12 . 1 1 95 95 GLN H H 95 8.088 8.088 7.698 0.390 18431 5435 1 12 . 1 1 96 96 THR N N 96 113.065 113.065 112.306 0.759 18431 5436 1 12 . 1 1 96 96 THR HA H 96 4.003 4.003 4.138 -0.135 18431 5437 1 12 . 1 1 96 96 THR CA C 96 64.857 64.857 64.043 0.814 18431 5438 1 12 . 1 1 96 96 THR CB C 96 69.618 69.618 69.241 0.377 18431 5439 1 12 . 1 1 96 96 THR H H 96 7.970 7.970 7.673 0.297 18431 5440 1 12 . 1 1 97 97 TYR N N 97 118.178 118.178 118.411 -0.233 18431 5441 1 12 . 1 1 97 97 TYR HA H 97 4.717 4.717 4.570 0.147 18431 5442 1 12 . 1 1 97 97 TYR CA C 97 58.312 58.312 59.672 -1.360 18431 5443 1 12 . 1 1 97 97 TYR CB C 97 40.223 40.223 39.793 0.430 18431 5444 1 12 . 1 1 97 97 TYR H H 97 8.438 8.438 8.419 0.019 18431 5445 1 12 . 1 1 98 98 GLY N N 98 109.735 109.735 104.231 5.504 18431 5446 1 12 . 1 1 98 98 GLY CA C 98 45.908 45.908 45.022 0.886 18431 5447 1 12 . 1 1 98 98 GLY H H 98 8.014 8.014 8.097 -0.083 18431 5448 1 12 . 1 1 99 99 SER N N 99 114.137 114.137 114.043 0.094 18431 5449 1 12 . 1 1 99 99 SER HA H 99 4.642 4.642 4.814 -0.172 18431 5450 1 12 . 1 1 99 99 SER CA C 99 57.226 57.226 56.944 0.283 18431 5451 1 12 . 1 1 99 99 SER CB C 99 64.294 64.294 64.227 0.067 18431 5452 1 12 . 1 1 99 99 SER H H 99 7.666 7.666 7.926 -0.260 18431 5453 1 12 . 1 1 100 100 THR N N 100 110.514 110.514 111.834 -1.320 18431 5454 1 12 . 1 1 100 100 THR HA H 100 4.424 4.424 4.540 -0.116 18431 5455 1 12 . 1 1 100 100 THR CA C 100 60.964 60.964 60.509 0.455 18431 5456 1 12 . 1 1 100 100 THR CB C 100 70.303 70.303 71.800 -1.497 18431 5457 1 12 . 1 1 100 100 THR H H 100 7.899 7.899 8.063 -0.164 18431 5458 1 12 . 1 1 101 101 LEU N N 101 124.047 124.047 121.427 2.620 18431 5459 1 12 . 1 1 101 101 LEU HA H 101 4.313 4.313 4.430 -0.117 18431 5460 1 12 . 1 1 101 101 LEU CA C 101 54.930 54.930 54.138 0.792 18431 5461 1 12 . 1 1 101 101 LEU CB C 101 42.501 42.501 43.204 -0.703 18431 5462 1 12 . 1 1 101 101 LEU H H 101 8.847 8.847 8.473 0.374 18431 5463 1 12 . 1 1 102 102 LYS N N 102 124.883 124.883 121.574 3.309 18431 5464 1 12 . 1 1 102 102 LYS HA H 102 4.415 4.415 4.343 0.072 18431 5465 1 12 . 1 1 102 102 LYS CA C 102 55.588 55.588 55.919 -0.331 18431 5466 1 12 . 1 1 102 102 LYS CB C 102 32.596 32.596 32.485 0.111 18431 5467 1 12 . 1 1 102 102 LYS H H 102 8.578 8.578 8.367 0.211 18431 5468 1 12 . 1 1 103 103 VAL N N 103 122.753 122.753 128.695 -5.942 18431 5469 1 12 . 1 1 103 103 VAL HA H 103 4.237 4.237 4.496 -0.259 18431 5470 1 12 . 1 1 103 103 VAL CA C 103 61.956 61.956 61.619 0.337 18431 5471 1 12 . 1 1 103 103 VAL CB C 103 32.747 32.747 31.368 1.379 18431 5472 1 12 . 1 1 103 103 VAL H H 103 8.348 8.348 8.699 -0.351 18431 5473 1 13 . 1 1 9 9 ALA N N 9 123.345 123.345 125.604 -2.259 18431 5474 1 13 . 1 1 9 9 ALA HA H 9 4.549 4.549 5.128 -0.579 18431 5475 1 13 . 1 1 9 9 ALA CA C 9 50.151 50.151 51.218 -1.067 18431 5476 1 13 . 1 1 9 9 ALA CB C 9 18.185 18.185 18.979 -0.794 18431 5477 1 13 . 1 1 9 9 ALA H H 9 7.992 7.992 8.869 -0.877 18431 5478 1 13 . 1 1 10 10 PRO HA H 10 4.299 4.299 4.285 0.014 18431 5479 1 13 . 1 1 10 10 PRO CA C 10 62.937 62.937 63.406 -0.469 18431 5480 1 13 . 1 1 10 10 PRO CB C 10 31.902 31.902 32.031 -0.129 18431 5481 1 13 . 1 1 11 11 ASN N N 11 117.877 117.877 113.799 4.078 18431 5482 1 13 . 1 1 11 11 ASN HA H 11 4.646 4.646 4.456 0.190 18431 5483 1 13 . 1 1 11 11 ASN CA C 11 53.077 53.077 53.748 -0.671 18431 5484 1 13 . 1 1 11 11 ASN CB C 11 38.590 38.590 37.417 1.173 18431 5485 1 13 . 1 1 11 11 ASN H H 11 8.467 8.467 8.745 -0.278 18431 5486 1 13 . 1 1 12 12 LEU N N 12 122.874 122.874 116.135 6.739 18431 5487 1 13 . 1 1 12 12 LEU HA H 12 4.290 4.290 4.489 -0.199 18431 5488 1 13 . 1 1 12 12 LEU CA C 12 55.170 55.170 55.707 -0.537 18431 5489 1 13 . 1 1 12 12 LEU CB C 12 42.131 42.131 42.828 -0.697 18431 5490 1 13 . 1 1 12 12 LEU H H 12 8.196 8.196 7.885 0.311 18431 5491 1 13 . 1 1 13 13 ALA N N 13 123.854 123.854 122.083 1.771 18431 5492 1 13 . 1 1 13 13 ALA HA H 13 4.243 4.243 4.687 -0.444 18431 5493 1 13 . 1 1 13 13 ALA CA C 13 52.672 52.672 51.661 1.011 18431 5494 1 13 . 1 1 13 13 ALA CB C 13 18.923 18.923 20.893 -1.970 18431 5495 1 13 . 1 1 13 13 ALA H H 13 8.214 8.214 7.506 0.708 18431 5496 1 13 . 1 1 14 14 GLY N N 14 107.993 107.993 107.347 0.646 18431 5497 1 13 . 1 1 14 14 GLY CA C 14 44.989 44.989 44.682 0.307 18431 5498 1 13 . 1 1 14 14 GLY H H 14 8.246 8.246 8.673 -0.427 18431 5499 1 13 . 1 1 15 15 ALA N N 15 123.594 123.594 121.570 2.024 18431 5500 1 13 . 1 1 15 15 ALA HA H 15 4.330 4.330 4.152 0.178 18431 5501 1 13 . 1 1 15 15 ALA CA C 15 52.147 52.147 52.139 0.008 18431 5502 1 13 . 1 1 15 15 ALA CB C 15 18.941 18.941 17.665 1.276 18431 5503 1 13 . 1 1 15 15 ALA H H 15 8.017 8.017 7.989 0.028 18431 5504 1 13 . 1 1 16 16 VAL N N 16 119.010 119.010 111.305 7.705 18431 5505 1 13 . 1 1 16 16 VAL HA H 16 4.036 4.036 3.844 0.192 18431 5506 1 13 . 1 1 16 16 VAL CA C 16 62.127 62.127 63.666 -1.539 18431 5507 1 13 . 1 1 16 16 VAL CB C 16 32.727 32.727 31.769 0.958 18431 5508 1 13 . 1 1 16 16 VAL H H 16 8.060 8.060 7.932 0.128 18431 5509 1 13 . 1 1 17 17 GLU N N 17 124.211 124.211 119.036 5.175 18431 5510 1 13 . 1 1 17 17 GLU HA H 17 4.429 4.429 4.263 0.166 18431 5511 1 13 . 1 1 17 17 GLU CA C 17 57.429 57.429 55.599 1.830 18431 5512 1 13 . 1 1 17 17 GLU CB C 17 29.421 29.421 30.121 -0.700 18431 5513 1 13 . 1 1 17 17 GLU H H 17 8.436 8.436 7.666 0.770 18431 5514 1 13 . 1 1 18 18 PHE HA H 18 4.291 4.291 4.155 0.136 18431 5515 1 13 . 1 1 18 18 PHE CA C 18 60.955 60.955 61.393 -0.438 18431 5516 1 13 . 1 1 18 18 PHE CB C 18 38.464 38.464 39.176 -0.712 18431 5517 1 13 . 1 1 19 19 SER N N 19 112.147 112.147 113.788 -1.641 18431 5518 1 13 . 1 1 19 19 SER HA H 19 3.659 3.659 3.900 -0.241 18431 5519 1 13 . 1 1 19 19 SER CA C 19 61.576 61.576 61.407 0.169 18431 5520 1 13 . 1 1 19 19 SER CB C 19 61.649 61.649 62.324 -0.675 18431 5521 1 13 . 1 1 19 19 SER H H 19 8.871 8.871 8.322 0.549 18431 5522 1 13 . 1 1 20 20 ASP N N 20 120.916 120.916 121.377 -0.461 18431 5523 1 13 . 1 1 20 20 ASP HA H 20 4.492 4.492 4.517 -0.025 18431 5524 1 13 . 1 1 20 20 ASP CA C 20 56.696 56.696 56.398 0.298 18431 5525 1 13 . 1 1 20 20 ASP CB C 20 40.543 40.543 40.698 -0.155 18431 5526 1 13 . 1 1 20 20 ASP H H 20 7.019 7.019 7.681 -0.662 18431 5527 1 13 . 1 1 21 21 VAL HA H 21 3.224 3.224 3.606 -0.382 18431 5528 1 13 . 1 1 21 21 VAL CA C 21 66.801 66.801 65.432 1.369 18431 5529 1 13 . 1 1 21 21 VAL CB C 21 31.741 31.741 31.538 0.203 18431 5530 1 13 . 1 1 22 22 LYS HA H 22 3.435 3.435 3.847 -0.412 18431 5531 1 13 . 1 1 22 22 LYS CA C 22 60.282 60.282 59.360 0.922 18431 5532 1 13 . 1 1 22 22 LYS CB C 22 31.283 31.283 31.021 0.262 18431 5533 1 13 . 1 1 23 23 THR N N 23 116.224 116.224 117.723 -1.499 18431 5534 1 13 . 1 1 23 23 THR HA H 23 3.796 3.796 4.052 -0.256 18431 5535 1 13 . 1 1 23 23 THR CA C 23 66.591 66.591 66.958 -0.367 18431 5536 1 13 . 1 1 23 23 THR CB C 23 68.361 68.361 68.892 -0.531 18431 5537 1 13 . 1 1 23 23 THR H H 23 7.391 7.391 7.309 0.082 18431 5538 1 13 . 1 1 24 24 LEU HA H 24 4.022 4.022 4.290 -0.268 18431 5539 1 13 . 1 1 24 24 LEU CA C 24 57.911 57.911 58.320 -0.409 18431 5540 1 13 . 1 1 24 24 LEU CB C 24 42.110 42.110 41.179 0.931 18431 5541 1 13 . 1 1 24 24 LEU H H 24 7.699 7.699 7.609 0.090 18431 5542 1 13 . 1 1 25 25 LEU N N 25 118.389 118.389 119.047 -0.658 18431 5543 1 13 . 1 1 25 25 LEU HA H 25 4.135 4.135 4.257 -0.122 18431 5544 1 13 . 1 1 25 25 LEU CA C 25 57.864 57.864 57.541 0.323 18431 5545 1 13 . 1 1 25 25 LEU CB C 25 42.653 42.653 41.689 0.964 18431 5546 1 13 . 1 1 25 25 LEU H H 25 8.331 8.331 7.536 0.795 18431 5547 1 13 . 1 1 26 26 LYS N N 26 118.433 118.433 120.004 -1.571 18431 5548 1 13 . 1 1 26 26 LYS HA H 26 3.833 3.833 4.004 -0.171 18431 5549 1 13 . 1 1 26 26 LYS CA C 26 60.095 60.095 59.106 0.989 18431 5550 1 13 . 1 1 26 26 LYS CB C 26 31.623 31.623 32.427 -0.804 18431 5551 1 13 . 1 1 26 26 LYS H H 26 8.464 8.464 8.066 0.398 18431 5552 1 13 . 1 1 27 27 GLU N N 27 120.838 120.838 119.435 1.403 18431 5553 1 13 . 1 1 27 27 GLU HA H 27 3.945 3.945 4.275 -0.330 18431 5554 1 13 . 1 1 27 27 GLU CA C 27 59.509 59.509 58.364 1.145 18431 5555 1 13 . 1 1 27 27 GLU CB C 27 29.199 29.199 29.295 -0.096 18431 5556 1 13 . 1 1 27 27 GLU H H 27 8.246 8.246 8.737 -0.491 18431 5557 1 13 . 1 1 28 28 TRP N N 28 122.200 122.200 121.744 0.456 18431 5558 1 13 . 1 1 28 28 TRP HA H 28 4.597 4.597 4.566 0.031 18431 5559 1 13 . 1 1 28 28 TRP CA C 28 59.443 59.443 60.721 -1.278 18431 5560 1 13 . 1 1 28 28 TRP CB C 28 29.083 29.083 29.589 -0.506 18431 5561 1 13 . 1 1 28 28 TRP H H 28 8.143 8.143 8.132 0.011 18431 5562 1 13 . 1 1 29 29 ILE N N 29 114.954 114.954 116.988 -2.034 18431 5563 1 13 . 1 1 29 29 ILE HA H 29 2.742 2.742 3.582 -0.840 18431 5564 1 13 . 1 1 29 29 ILE CA C 29 62.759 62.759 62.964 -0.205 18431 5565 1 13 . 1 1 29 29 ILE CB C 29 37.992 37.992 38.583 -0.591 18431 5566 1 13 . 1 1 29 29 ILE H H 29 7.999 7.999 7.114 0.885 18431 5567 1 13 . 1 1 30 30 THR N N 30 106.869 106.869 113.558 -6.689 18431 5568 1 13 . 1 1 30 30 THR HA H 30 4.117 4.117 4.115 0.002 18431 5569 1 13 . 1 1 30 30 THR CA C 30 63.447 63.447 65.099 -1.652 18431 5570 1 13 . 1 1 30 30 THR CB C 30 70.045 70.045 69.273 0.772 18431 5571 1 13 . 1 1 30 30 THR H H 30 7.622 7.622 7.807 -0.185 18431 5572 1 13 . 1 1 31 31 THR N N 31 111.890 111.890 114.510 -2.620 18431 5573 1 13 . 1 1 31 31 THR HA H 31 4.503 4.503 4.147 0.356 18431 5574 1 13 . 1 1 31 31 THR CA C 31 63.231 63.231 64.343 -1.112 18431 5575 1 13 . 1 1 31 31 THR CB C 31 70.556 70.556 69.185 1.371 18431 5576 1 13 . 1 1 31 31 THR H H 31 7.588 7.588 7.966 -0.378 18431 5577 1 13 . 1 1 32 32 ILE N N 32 123.663 123.663 120.985 2.678 18431 5578 1 13 . 1 1 32 32 ILE HA H 32 4.499 4.499 4.260 0.239 18431 5579 1 13 . 1 1 32 32 ILE CA C 32 59.426 59.426 60.064 -0.638 18431 5580 1 13 . 1 1 32 32 ILE CB C 32 37.378 37.378 38.108 -0.730 18431 5581 1 13 . 1 1 32 32 ILE H H 32 7.929 7.929 7.473 0.456 18431 5582 1 13 . 1 1 33 33 SER N N 33 119.544 119.544 117.813 1.731 18431 5583 1 13 . 1 1 33 33 SER HA H 33 4.523 4.523 4.751 -0.228 18431 5584 1 13 . 1 1 33 33 SER CA C 33 59.189 59.189 58.948 0.241 18431 5585 1 13 . 1 1 33 33 SER CB C 33 63.838 63.838 65.435 -1.597 18431 5586 1 13 . 1 1 33 33 SER H H 33 8.418 8.418 8.604 -0.186 18431 5587 1 13 . 1 1 34 34 ASP HA H 34 4.821 4.821 4.925 -0.104 18431 5588 1 13 . 1 1 34 34 ASP CA C 34 51.168 51.168 52.715 -1.547 18431 5589 1 13 . 1 1 34 34 ASP CB C 34 41.139 41.139 42.105 -0.966 18431 5590 1 13 . 1 1 34 34 ASP H H 34 7.730 7.730 8.207 -0.477 18431 5591 1 13 . 1 1 35 35 PRO HA H 35 4.167 4.167 4.451 -0.284 18431 5592 1 13 . 1 1 35 35 PRO CA C 35 62.085 62.085 62.746 -0.661 18431 5593 1 13 . 1 1 35 35 PRO CB C 35 31.767 31.767 32.665 -0.898 18431 5594 1 13 . 1 1 36 36 MET N N 36 121.309 121.309 118.686 2.623 18431 5595 1 13 . 1 1 36 36 MET HA H 36 4.565 4.565 4.567 -0.002 18431 5596 1 13 . 1 1 36 36 MET CA C 36 53.867 53.867 53.811 0.056 18431 5597 1 13 . 1 1 36 36 MET CB C 36 32.411 32.411 34.685 -2.274 18431 5598 1 13 . 1 1 36 36 MET H H 36 9.165 9.165 8.461 0.704 18431 5599 1 13 . 1 1 37 37 GLU N N 37 125.284 125.284 122.164 3.120 18431 5600 1 13 . 1 1 37 37 GLU HA H 37 3.744 3.744 3.840 -0.096 18431 5601 1 13 . 1 1 37 37 GLU CA C 37 60.307 60.307 59.590 0.717 18431 5602 1 13 . 1 1 37 37 GLU CB C 37 29.448 29.448 28.875 0.573 18431 5603 1 13 . 1 1 37 37 GLU H H 37 9.034 9.034 8.864 0.170 18431 5604 1 13 . 1 1 38 38 GLU N N 38 116.000 116.000 117.751 -1.751 18431 5605 1 13 . 1 1 38 38 GLU HA H 38 4.003 4.003 4.093 -0.090 18431 5606 1 13 . 1 1 38 38 GLU CA C 38 59.588 59.588 59.014 0.574 18431 5607 1 13 . 1 1 38 38 GLU CB C 38 29.280 29.280 28.837 0.443 18431 5608 1 13 . 1 1 38 38 GLU H H 38 9.356 9.356 8.821 0.535 18431 5609 1 13 . 1 1 39 39 ASP N N 39 118.974 118.974 120.679 -1.705 18431 5610 1 13 . 1 1 39 39 ASP HA H 39 4.493 4.493 4.478 0.015 18431 5611 1 13 . 1 1 39 39 ASP CA C 39 57.231 57.231 57.583 -0.352 18431 5612 1 13 . 1 1 39 39 ASP CB C 39 41.226 41.226 40.528 0.698 18431 5613 1 13 . 1 1 39 39 ASP H H 39 7.169 7.169 8.148 -0.979 18431 5614 1 13 . 1 1 40 40 ILE N N 40 120.269 120.269 118.736 1.533 18431 5615 1 13 . 1 1 40 40 ILE HA H 40 3.845 3.845 4.031 -0.186 18431 5616 1 13 . 1 1 40 40 ILE CA C 40 65.345 65.345 64.581 0.764 18431 5617 1 13 . 1 1 40 40 ILE CB C 40 37.500 37.500 38.108 -0.608 18431 5618 1 13 . 1 1 40 40 ILE H H 40 7.766 7.766 7.297 0.469 18431 5619 1 13 . 1 1 41 41 LEU N N 41 118.715 118.715 119.453 -0.738 18431 5620 1 13 . 1 1 41 41 LEU HA H 41 4.131 4.131 4.218 -0.087 18431 5621 1 13 . 1 1 41 41 LEU CA C 41 57.835 57.835 57.627 0.208 18431 5622 1 13 . 1 1 41 41 LEU CB C 41 40.819 40.819 40.690 0.129 18431 5623 1 13 . 1 1 41 41 LEU H H 41 8.726 8.726 7.206 1.520 18431 5624 1 13 . 1 1 42 42 GLN N N 42 119.539 119.539 118.859 0.680 18431 5625 1 13 . 1 1 42 42 GLN HA H 42 4.177 4.177 4.088 0.089 18431 5626 1 13 . 1 1 42 42 GLN CA C 42 59.241 59.241 58.771 0.470 18431 5627 1 13 . 1 1 42 42 GLN CB C 42 28.518 28.518 28.427 0.091 18431 5628 1 13 . 1 1 42 42 GLN H H 42 7.768 7.768 8.075 -0.307 18431 5629 1 13 . 1 1 43 43 VAL N N 43 121.194 121.194 115.723 5.471 18431 5630 1 13 . 1 1 43 43 VAL HA H 43 3.787 3.787 3.705 0.082 18431 5631 1 13 . 1 1 43 43 VAL CA C 43 66.760 66.760 65.815 0.945 18431 5632 1 13 . 1 1 43 43 VAL CB C 43 31.423 31.423 31.146 0.277 18431 5633 1 13 . 1 1 43 43 VAL H H 43 7.712 7.712 7.386 0.326 18431 5634 1 13 . 1 1 44 44 VAL N N 44 120.876 120.876 119.663 1.213 18431 5635 1 13 . 1 1 44 44 VAL HA H 44 3.422 3.422 3.845 -0.423 18431 5636 1 13 . 1 1 44 44 VAL CA C 44 67.910 67.910 66.047 1.863 18431 5637 1 13 . 1 1 44 44 VAL CB C 44 31.392 31.392 31.116 0.276 18431 5638 1 13 . 1 1 44 44 VAL H H 44 8.232 8.232 7.462 0.770 18431 5639 1 13 . 1 1 45 45 ARG N N 45 120.934 120.934 121.078 -0.144 18431 5640 1 13 . 1 1 45 45 ARG HA H 45 4.148 4.148 4.135 0.013 18431 5641 1 13 . 1 1 45 45 ARG CA C 45 58.593 58.593 58.602 -0.009 18431 5642 1 13 . 1 1 45 45 ARG CB C 45 29.608 29.608 29.649 -0.041 18431 5643 1 13 . 1 1 45 45 ARG H H 45 8.489 8.489 7.745 0.744 18431 5644 1 13 . 1 1 46 46 TYR N N 46 120.548 120.548 120.549 -0.001 18431 5645 1 13 . 1 1 46 46 TYR HA H 46 4.547 4.547 4.182 0.365 18431 5646 1 13 . 1 1 46 46 TYR CA C 46 60.926 60.926 61.343 -0.417 18431 5647 1 13 . 1 1 46 46 TYR CB C 46 38.447 38.447 37.944 0.503 18431 5648 1 13 . 1 1 46 46 TYR H H 46 7.870 7.870 7.982 -0.112 18431 5649 1 13 . 1 1 47 47 CYS N N 47 115.132 115.132 116.756 -1.624 18431 5650 1 13 . 1 1 47 47 CYS HA H 47 3.738 3.738 3.790 -0.052 18431 5651 1 13 . 1 1 47 47 CYS CA C 47 64.313 64.313 63.042 1.271 18431 5652 1 13 . 1 1 47 47 CYS CB C 47 27.744 27.744 27.904 -0.160 18431 5653 1 13 . 1 1 47 47 CYS H H 47 8.109 8.109 7.670 0.439 18431 5654 1 13 . 1 1 48 48 THR N N 48 114.153 114.153 116.677 -2.524 18431 5655 1 13 . 1 1 48 48 THR HA H 48 3.877 3.877 3.921 -0.044 18431 5656 1 13 . 1 1 48 48 THR CA C 48 66.755 66.755 66.402 0.353 18431 5657 1 13 . 1 1 48 48 THR CB C 48 67.593 67.593 67.612 -0.019 18431 5658 1 13 . 1 1 48 48 THR H H 48 8.776 8.776 7.705 1.071 18431 5659 1 13 . 1 1 49 49 ASP N N 49 126.528 126.528 121.137 5.391 18431 5660 1 13 . 1 1 49 49 ASP HA H 49 4.425 4.425 4.301 0.124 18431 5661 1 13 . 1 1 49 49 ASP CA C 49 57.688 57.688 57.312 0.376 18431 5662 1 13 . 1 1 49 49 ASP CB C 49 39.249 39.249 40.878 -1.629 18431 5663 1 13 . 1 1 49 49 ASP H H 49 8.697 8.697 7.987 0.710 18431 5664 1 13 . 1 1 50 50 LEU HA H 50 3.924 3.924 3.895 0.029 18431 5665 1 13 . 1 1 50 50 LEU CA C 50 58.157 58.157 57.439 0.718 18431 5666 1 13 . 1 1 50 50 LEU CB C 50 41.408 41.408 42.039 -0.631 18431 5667 1 13 . 1 1 51 51 ILE N N 51 118.832 118.832 117.438 1.394 18431 5668 1 13 . 1 1 51 51 ILE HA H 51 3.417 3.417 3.735 -0.318 18431 5669 1 13 . 1 1 51 51 ILE CA C 51 66.261 66.261 64.879 1.382 18431 5670 1 13 . 1 1 51 51 ILE CB C 51 37.691 37.691 37.356 0.335 18431 5671 1 13 . 1 1 51 51 ILE H H 51 7.639 7.639 7.519 0.120 18431 5672 1 13 . 1 1 52 52 GLU N N 52 123.247 123.247 117.750 5.497 18431 5673 1 13 . 1 1 52 52 GLU HA H 52 4.001 4.001 4.158 -0.157 18431 5674 1 13 . 1 1 52 52 GLU CA C 52 59.592 59.592 58.488 1.104 18431 5675 1 13 . 1 1 52 52 GLU CB C 52 29.068 29.068 29.714 -0.646 18431 5676 1 13 . 1 1 52 52 GLU H H 52 8.506 8.506 7.796 0.710 18431 5677 1 13 . 1 1 53 53 GLU N N 53 116.384 116.384 115.525 0.859 18431 5678 1 13 . 1 1 53 53 GLU HA H 53 4.294 4.294 4.445 -0.151 18431 5679 1 13 . 1 1 53 53 GLU CA C 53 55.907 55.907 55.899 0.008 18431 5680 1 13 . 1 1 53 53 GLU CB C 53 29.710 29.710 29.941 -0.231 18431 5681 1 13 . 1 1 53 53 GLU H H 53 7.716 7.716 7.891 -0.175 18431 5682 1 13 . 1 1 54 54 LYS N N 54 116.934 116.934 114.396 2.538 18431 5683 1 13 . 1 1 54 54 LYS HA H 54 3.662 3.662 3.952 -0.290 18431 5684 1 13 . 1 1 54 54 LYS CA C 54 57.278 57.278 57.966 -0.688 18431 5685 1 13 . 1 1 54 54 LYS CB C 54 29.785 29.785 30.097 -0.312 18431 5686 1 13 . 1 1 54 54 LYS H H 54 8.089 8.089 7.445 0.644 18431 5687 1 13 . 1 1 55 55 ASP N N 55 122.549 122.549 119.241 3.308 18431 5688 1 13 . 1 1 55 55 ASP HA H 55 5.058 5.058 4.786 0.272 18431 5689 1 13 . 1 1 55 55 ASP CA C 55 51.306 51.306 53.496 -2.190 18431 5690 1 13 . 1 1 55 55 ASP CB C 55 38.856 38.856 40.534 -1.678 18431 5691 1 13 . 1 1 55 55 ASP H H 55 8.497 8.497 8.052 0.445 18431 5692 1 13 . 1 1 56 56 LEU N N 56 119.627 119.627 116.552 3.075 18431 5693 1 13 . 1 1 56 56 LEU HA H 56 3.901 3.901 4.356 -0.455 18431 5694 1 13 . 1 1 56 56 LEU CA C 56 56.528 56.528 55.227 1.302 18431 5695 1 13 . 1 1 56 56 LEU CB C 56 40.034 40.034 40.429 -0.395 18431 5696 1 13 . 1 1 56 56 LEU H H 56 7.578 7.578 8.009 -0.431 18431 5697 1 13 . 1 1 57 57 GLU N N 57 121.433 121.433 121.213 0.220 18431 5698 1 13 . 1 1 57 57 GLU HA H 57 4.041 4.041 3.900 0.141 18431 5699 1 13 . 1 1 57 57 GLU CA C 57 59.321 59.321 59.841 -0.520 18431 5700 1 13 . 1 1 57 57 GLU CB C 57 29.229 29.229 28.802 0.427 18431 5701 1 13 . 1 1 57 57 GLU H H 57 8.614 8.614 8.584 0.030 18431 5702 1 13 . 1 1 58 58 LYS N N 58 119.832 119.832 117.542 2.290 18431 5703 1 13 . 1 1 58 58 LYS HA H 58 3.760 3.760 4.018 -0.258 18431 5704 1 13 . 1 1 58 58 LYS CA C 58 59.273 59.273 58.766 0.507 18431 5705 1 13 . 1 1 58 58 LYS CB C 58 32.370 32.370 32.291 0.079 18431 5706 1 13 . 1 1 58 58 LYS H H 58 7.527 7.527 7.806 -0.279 18431 5707 1 13 . 1 1 59 59 LEU N N 59 117.844 117.844 121.254 -3.410 18431 5708 1 13 . 1 1 59 59 LEU HA H 59 3.912 3.912 4.053 -0.141 18431 5709 1 13 . 1 1 59 59 LEU CA C 59 57.865 57.865 57.843 0.022 18431 5710 1 13 . 1 1 59 59 LEU CB C 59 41.382 41.382 41.628 -0.246 18431 5711 1 13 . 1 1 59 59 LEU H H 59 7.570 7.570 7.607 -0.037 18431 5712 1 13 . 1 1 60 60 ASP N N 60 117.630 117.630 118.402 -0.772 18431 5713 1 13 . 1 1 60 60 ASP HA H 60 4.273 4.273 4.280 -0.007 18431 5714 1 13 . 1 1 60 60 ASP CA C 60 57.695 57.695 57.539 0.156 18431 5715 1 13 . 1 1 60 60 ASP CB C 60 42.074 42.074 41.059 1.016 18431 5716 1 13 . 1 1 60 60 ASP H H 60 7.849 7.849 8.207 -0.358 18431 5717 1 13 . 1 1 61 61 LEU N N 61 116.500 116.500 118.505 -2.005 18431 5718 1 13 . 1 1 61 61 LEU HA H 61 3.924 3.924 4.195 -0.271 18431 5719 1 13 . 1 1 61 61 LEU CA C 61 57.886 57.886 56.857 1.029 18431 5720 1 13 . 1 1 61 61 LEU CB C 61 41.825 41.825 41.834 -0.009 18431 5721 1 13 . 1 1 61 61 LEU H H 61 7.484 7.484 7.380 0.104 18431 5722 1 13 . 1 1 62 62 VAL N N 62 120.681 120.681 119.672 1.009 18431 5723 1 13 . 1 1 62 62 VAL HA H 62 3.963 3.963 3.831 0.132 18431 5724 1 13 . 1 1 62 62 VAL CA C 62 66.843 66.843 66.909 -0.066 18431 5725 1 13 . 1 1 62 62 VAL CB C 62 31.954 31.954 31.593 0.361 18431 5726 1 13 . 1 1 62 62 VAL H H 62 8.682 8.682 7.650 1.032 18431 5727 1 13 . 1 1 63 63 ILE N N 63 122.448 122.448 119.315 3.133 18431 5728 1 13 . 1 1 63 63 ILE HA H 63 3.995 3.995 3.973 0.022 18431 5729 1 13 . 1 1 63 63 ILE CA C 63 63.777 63.777 64.586 -0.809 18431 5730 1 13 . 1 1 63 63 ILE CB C 63 35.707 35.707 36.718 -1.011 18431 5731 1 13 . 1 1 63 63 ILE H H 63 8.824 8.824 7.805 1.019 18431 5732 1 13 . 1 1 64 64 LYS N N 64 118.898 118.898 119.733 -0.835 18431 5733 1 13 . 1 1 64 64 LYS HA H 64 3.889 3.889 4.153 -0.264 18431 5734 1 13 . 1 1 64 64 LYS CA C 64 60.416 60.416 59.505 0.911 18431 5735 1 13 . 1 1 64 64 LYS CB C 64 32.563 32.563 32.207 0.356 18431 5736 1 13 . 1 1 64 64 LYS H H 64 8.368 8.368 7.562 0.806 18431 5737 1 13 . 1 1 65 65 TYR N N 65 121.217 121.217 121.419 -0.202 18431 5738 1 13 . 1 1 65 65 TYR HA H 65 4.330 4.330 4.372 -0.042 18431 5739 1 13 . 1 1 65 65 TYR CA C 65 61.779 61.779 61.100 0.679 18431 5740 1 13 . 1 1 65 65 TYR CB C 65 38.898 38.898 39.041 -0.143 18431 5741 1 13 . 1 1 65 65 TYR H H 65 8.200 8.200 7.818 0.382 18431 5742 1 13 . 1 1 66 66 MET N N 66 116.741 116.741 118.372 -1.631 18431 5743 1 13 . 1 1 66 66 MET HA H 66 3.682 3.682 4.079 -0.397 18431 5744 1 13 . 1 1 66 66 MET CA C 66 60.444 60.444 59.348 1.096 18431 5745 1 13 . 1 1 66 66 MET CB C 66 33.627 33.627 33.436 0.191 18431 5746 1 13 . 1 1 66 66 MET H H 66 8.681 8.681 8.666 0.015 18431 5747 1 13 . 1 1 67 67 LYS N N 67 119.826 119.826 118.625 1.201 18431 5748 1 13 . 1 1 67 67 LYS HA H 67 2.637 2.637 3.129 -0.492 18431 5749 1 13 . 1 1 67 67 LYS CA C 67 59.949 59.949 59.118 0.831 18431 5750 1 13 . 1 1 67 67 LYS CB C 67 32.596 32.596 31.974 0.622 18431 5751 1 13 . 1 1 67 67 LYS H H 67 8.563 8.563 8.419 0.144 18431 5752 1 13 . 1 1 68 68 ARG N N 68 116.343 116.343 117.871 -1.528 18431 5753 1 13 . 1 1 68 68 ARG HA H 68 3.859 3.859 4.432 -0.573 18431 5754 1 13 . 1 1 68 68 ARG CA C 68 58.254 58.254 57.955 0.299 18431 5755 1 13 . 1 1 68 68 ARG CB C 68 29.605 29.605 29.861 -0.256 18431 5756 1 13 . 1 1 68 68 ARG H H 68 7.117 7.117 7.402 -0.285 18431 5757 1 13 . 1 1 69 69 LEU N N 69 116.573 116.573 121.132 -4.559 18431 5758 1 13 . 1 1 69 69 LEU HA H 69 3.847 3.847 3.883 -0.036 18431 5759 1 13 . 1 1 69 69 LEU CA C 69 56.861 56.861 57.104 -0.243 18431 5760 1 13 . 1 1 69 69 LEU CB C 69 42.950 42.950 41.925 1.025 18431 5761 1 13 . 1 1 69 69 LEU H H 69 7.360 7.360 7.245 0.115 18431 5762 1 13 . 1 1 70 70 MET N N 70 115.874 115.874 116.486 -0.612 18431 5763 1 13 . 1 1 70 70 MET HA H 70 3.823 3.823 3.876 -0.053 18431 5764 1 13 . 1 1 70 70 MET CA C 70 59.195 59.195 57.453 1.742 18431 5765 1 13 . 1 1 70 70 MET CB C 70 32.315 32.315 32.119 0.196 18431 5766 1 13 . 1 1 70 70 MET H H 70 8.769 8.769 8.004 0.765 18431 5767 1 13 . 1 1 71 71 GLN N N 71 114.286 114.286 117.107 -2.821 18431 5768 1 13 . 1 1 71 71 GLN HA H 71 4.416 4.416 3.889 0.527 18431 5769 1 13 . 1 1 71 71 GLN CA C 71 56.527 56.527 58.480 -1.953 18431 5770 1 13 . 1 1 71 71 GLN CB C 71 27.446 27.446 28.696 -1.250 18431 5771 1 13 . 1 1 71 71 GLN H H 71 7.522 7.522 7.677 -0.155 18431 5772 1 13 . 1 1 72 72 GLN N N 72 117.645 117.645 116.840 0.805 18431 5773 1 13 . 1 1 72 72 GLN HA H 72 4.198 4.198 4.032 0.166 18431 5774 1 13 . 1 1 72 72 GLN CA C 72 56.549 56.549 56.795 -0.246 18431 5775 1 13 . 1 1 72 72 GLN CB C 72 28.824 28.824 28.496 0.328 18431 5776 1 13 . 1 1 72 72 GLN H H 72 7.279 7.279 7.530 -0.251 18431 5777 1 13 . 1 1 73 73 SER N N 73 113.600 113.600 116.011 -2.411 18431 5778 1 13 . 1 1 73 73 SER HA H 73 4.504 4.504 4.264 0.240 18431 5779 1 13 . 1 1 73 73 SER CA C 73 57.600 57.600 58.513 -0.913 18431 5780 1 13 . 1 1 73 73 SER CB C 73 63.542 63.542 63.888 -0.346 18431 5781 1 13 . 1 1 73 73 SER H H 73 7.588 7.588 7.280 0.308 18431 5782 1 13 . 1 1 74 74 VAL N N 74 121.652 121.652 118.433 3.219 18431 5783 1 13 . 1 1 74 74 VAL HA H 74 4.136 4.136 4.170 -0.034 18431 5784 1 13 . 1 1 74 74 VAL CA C 74 62.985 62.985 62.998 -0.013 18431 5785 1 13 . 1 1 74 74 VAL CB C 74 31.797 31.797 32.408 -0.611 18431 5786 1 13 . 1 1 74 74 VAL H H 74 8.300 8.300 8.178 0.121 18431 5787 1 13 . 1 1 75 75 GLU N N 75 120.481 120.481 122.271 -1.790 18431 5788 1 13 . 1 1 75 75 GLU HA H 75 4.415 4.415 4.351 0.064 18431 5789 1 13 . 1 1 75 75 GLU CA C 75 56.061 56.061 56.976 -0.915 18431 5790 1 13 . 1 1 75 75 GLU CB C 75 29.153 29.153 29.779 -0.626 18431 5791 1 13 . 1 1 75 75 GLU H H 75 8.486 8.486 8.394 0.092 18431 5792 1 13 . 1 1 76 76 SER HA H 76 4.498 4.498 4.180 0.318 18431 5793 1 13 . 1 1 76 76 SER CA C 76 59.426 59.426 61.075 -1.649 18431 5794 1 13 . 1 1 76 76 SER CB C 76 64.071 64.071 63.160 0.911 18431 5795 1 13 . 1 1 76 76 SER H H 76 8.142 8.142 8.894 -0.752 18431 5796 1 13 . 1 1 77 77 VAL N N 77 122.712 122.712 121.473 1.239 18431 5797 1 13 . 1 1 77 77 VAL HA H 77 4.036 4.036 3.811 0.225 18431 5798 1 13 . 1 1 77 77 VAL CA C 77 64.600 64.600 64.546 0.054 18431 5799 1 13 . 1 1 77 77 VAL CB C 77 30.843 30.843 31.080 -0.237 18431 5800 1 13 . 1 1 77 77 VAL H H 77 8.750 8.750 7.964 0.786 18431 5801 1 13 . 1 1 78 78 TRP N N 78 121.247 121.247 120.274 0.973 18431 5802 1 13 . 1 1 78 78 TRP HA H 78 4.507 4.507 4.358 0.149 18431 5803 1 13 . 1 1 78 78 TRP CA C 78 59.753 59.753 60.821 -1.068 18431 5804 1 13 . 1 1 78 78 TRP CB C 78 29.332 29.332 29.411 -0.079 18431 5805 1 13 . 1 1 78 78 TRP H H 78 7.837 7.837 7.563 0.274 18431 5806 1 13 . 1 1 79 79 ASN N N 79 119.032 119.032 117.754 1.278 18431 5807 1 13 . 1 1 79 79 ASN HA H 79 4.382 4.382 4.601 -0.219 18431 5808 1 13 . 1 1 79 79 ASN CA C 79 57.406 57.406 56.701 0.705 18431 5809 1 13 . 1 1 79 79 ASN CB C 79 38.813 38.813 38.599 0.214 18431 5810 1 13 . 1 1 79 79 ASN H H 79 7.856 7.856 8.036 -0.180 18431 5811 1 13 . 1 1 80 80 MET N N 80 117.280 117.280 119.029 -1.749 18431 5812 1 13 . 1 1 80 80 MET HA H 80 4.383 4.383 4.351 0.032 18431 5813 1 13 . 1 1 80 80 MET CA C 80 58.111 58.111 59.189 -1.078 18431 5814 1 13 . 1 1 80 80 MET CB C 80 32.350 32.350 32.738 -0.388 18431 5815 1 13 . 1 1 80 80 MET H H 80 7.765 7.765 8.480 -0.715 18431 5816 1 13 . 1 1 81 81 ALA N N 81 123.582 123.582 122.788 0.794 18431 5817 1 13 . 1 1 81 81 ALA HA H 81 4.220 4.220 4.137 0.083 18431 5818 1 13 . 1 1 81 81 ALA CA C 81 54.997 54.997 55.218 -0.221 18431 5819 1 13 . 1 1 81 81 ALA CB C 81 17.615 17.615 18.018 -0.403 18431 5820 1 13 . 1 1 81 81 ALA H H 81 8.019 8.019 7.911 0.108 18431 5821 1 13 . 1 1 82 82 PHE N N 82 117.853 117.853 118.908 -1.055 18431 5822 1 13 . 1 1 82 82 PHE HA H 82 4.201 4.201 4.259 -0.058 18431 5823 1 13 . 1 1 82 82 PHE CA C 82 62.679 62.679 61.383 1.296 18431 5824 1 13 . 1 1 82 82 PHE CB C 82 38.078 38.078 39.058 -0.980 18431 5825 1 13 . 1 1 82 82 PHE H H 82 8.455 8.455 8.312 0.143 18431 5826 1 13 . 1 1 83 83 ASP N N 83 118.244 118.244 119.387 -1.143 18431 5827 1 13 . 1 1 83 83 ASP HA H 83 4.250 4.250 4.189 0.061 18431 5828 1 13 . 1 1 83 83 ASP CA C 83 57.602 57.602 57.702 -0.100 18431 5829 1 13 . 1 1 83 83 ASP CB C 83 40.117 40.117 40.245 -0.128 18431 5830 1 13 . 1 1 83 83 ASP H H 83 7.615 7.615 8.043 -0.428 18431 5831 1 13 . 1 1 84 84 PHE N N 84 120.090 120.090 120.139 -0.049 18431 5832 1 13 . 1 1 84 84 PHE HA H 84 4.319 4.319 4.295 0.024 18431 5833 1 13 . 1 1 84 84 PHE CA C 84 61.110 61.110 61.010 0.100 18431 5834 1 13 . 1 1 84 84 PHE CB C 84 39.225 39.225 39.400 -0.175 18431 5835 1 13 . 1 1 84 84 PHE H H 84 7.849 7.849 7.416 0.433 18431 5836 1 13 . 1 1 85 85 ILE N N 85 122.915 122.915 120.366 2.549 18431 5837 1 13 . 1 1 85 85 ILE HA H 85 3.372 3.372 3.564 -0.192 18431 5838 1 13 . 1 1 85 85 ILE CA C 85 65.864 65.864 65.891 -0.027 18431 5839 1 13 . 1 1 85 85 ILE CB C 85 38.422 38.422 38.016 0.406 18431 5840 1 13 . 1 1 85 85 ILE H H 85 8.687 8.687 8.644 0.043 18431 5841 1 13 . 1 1 86 86 LEU N N 86 119.481 119.481 117.464 2.017 18431 5842 1 13 . 1 1 86 86 LEU HA H 86 3.715 3.715 3.811 -0.096 18431 5843 1 13 . 1 1 86 86 LEU CA C 86 57.875 57.875 58.477 -0.602 18431 5844 1 13 . 1 1 86 86 LEU CB C 86 40.602 40.602 40.450 0.152 18431 5845 1 13 . 1 1 86 86 LEU H H 86 8.682 8.682 8.097 0.585 18431 5846 1 13 . 1 1 87 87 ASP N N 87 118.290 118.290 118.038 0.252 18431 5847 1 13 . 1 1 87 87 ASP HA H 87 4.255 4.255 4.296 -0.041 18431 5848 1 13 . 1 1 87 87 ASP CA C 87 57.604 57.604 56.713 0.891 18431 5849 1 13 . 1 1 87 87 ASP CB C 87 40.580 40.580 40.432 0.148 18431 5850 1 13 . 1 1 87 87 ASP H H 87 8.301 8.301 7.713 0.588 18431 5851 1 13 . 1 1 88 88 ASN N N 88 115.606 115.606 117.908 -2.302 18431 5852 1 13 . 1 1 88 88 ASN HA H 88 4.139 4.139 4.377 -0.238 18431 5853 1 13 . 1 1 88 88 ASN CA C 88 57.067 57.067 55.979 1.088 18431 5854 1 13 . 1 1 88 88 ASN CB C 88 39.734 39.734 39.061 0.673 18431 5855 1 13 . 1 1 88 88 ASN H H 88 7.421 7.421 7.513 -0.092 18431 5856 1 13 . 1 1 89 89 VAL N N 89 120.092 120.092 117.931 2.161 18431 5857 1 13 . 1 1 89 89 VAL HA H 89 3.421 3.421 3.775 -0.354 18431 5858 1 13 . 1 1 89 89 VAL CA C 89 66.777 66.777 66.151 0.626 18431 5859 1 13 . 1 1 89 89 VAL CB C 89 31.592 31.592 31.566 0.026 18431 5860 1 13 . 1 1 89 89 VAL H H 89 8.367 8.367 8.165 0.202 18431 5861 1 13 . 1 1 90 90 GLN N N 90 118.315 118.315 118.381 -0.066 18431 5862 1 13 . 1 1 90 90 GLN HA H 90 4.427 4.427 4.165 0.262 18431 5863 1 13 . 1 1 90 90 GLN CA C 90 58.918 58.918 57.825 1.093 18431 5864 1 13 . 1 1 90 90 GLN CB C 90 28.471 28.471 28.277 0.194 18431 5865 1 13 . 1 1 90 90 GLN H H 90 8.780 8.780 7.959 0.821 18431 5866 1 13 . 1 1 91 91 VAL N N 91 118.757 118.757 120.500 -1.743 18431 5867 1 13 . 1 1 91 91 VAL HA H 91 3.720 3.720 3.737 -0.017 18431 5868 1 13 . 1 1 91 91 VAL CA C 91 66.303 66.303 65.951 0.352 18431 5869 1 13 . 1 1 91 91 VAL CB C 91 31.641 31.641 31.943 -0.302 18431 5870 1 13 . 1 1 91 91 VAL H H 91 7.640 7.640 7.462 0.178 18431 5871 1 13 . 1 1 92 92 VAL N N 92 120.289 120.289 120.280 0.009 18431 5872 1 13 . 1 1 92 92 VAL HA H 92 3.728 3.728 3.716 0.012 18431 5873 1 13 . 1 1 92 92 VAL CA C 92 66.270 66.270 66.195 0.075 18431 5874 1 13 . 1 1 92 92 VAL CB C 92 31.354 31.354 31.733 -0.379 18431 5875 1 13 . 1 1 92 92 VAL H H 92 7.382 7.382 7.980 -0.598 18431 5876 1 13 . 1 1 93 93 LEU N N 93 123.817 123.817 116.787 7.030 18431 5877 1 13 . 1 1 93 93 LEU HA H 93 4.038 4.038 4.314 -0.276 18431 5878 1 13 . 1 1 93 93 LEU CA C 93 58.777 58.777 57.884 0.893 18431 5879 1 13 . 1 1 93 93 LEU CB C 93 41.790 41.790 41.341 0.449 18431 5880 1 13 . 1 1 93 93 LEU H H 93 8.813 8.813 7.411 1.402 18431 5881 1 13 . 1 1 94 94 GLN N N 94 119.660 119.660 119.434 0.226 18431 5882 1 13 . 1 1 94 94 GLN HA H 94 3.990 3.990 4.286 -0.296 18431 5883 1 13 . 1 1 94 94 GLN CA C 94 58.977 58.977 58.505 0.472 18431 5884 1 13 . 1 1 94 94 GLN CB C 94 28.270 28.270 28.449 -0.179 18431 5885 1 13 . 1 1 94 94 GLN H H 94 8.469 8.469 7.757 0.712 18431 5886 1 13 . 1 1 95 95 GLN N N 95 117.593 117.593 116.238 1.355 18431 5887 1 13 . 1 1 95 95 GLN HA H 95 4.068 4.068 4.155 -0.087 18431 5888 1 13 . 1 1 95 95 GLN CA C 95 57.991 57.991 57.964 0.027 18431 5889 1 13 . 1 1 95 95 GLN CB C 95 28.548 28.548 28.781 -0.233 18431 5890 1 13 . 1 1 95 95 GLN H H 95 8.088 8.088 7.629 0.459 18431 5891 1 13 . 1 1 96 96 THR N N 96 113.065 113.065 112.818 0.247 18431 5892 1 13 . 1 1 96 96 THR HA H 96 4.003 4.003 4.171 -0.168 18431 5893 1 13 . 1 1 96 96 THR CA C 96 64.857 64.857 64.027 0.830 18431 5894 1 13 . 1 1 96 96 THR CB C 96 69.618 69.618 69.516 0.101 18431 5895 1 13 . 1 1 96 96 THR H H 96 7.970 7.970 7.616 0.354 18431 5896 1 13 . 1 1 97 97 TYR N N 97 118.178 118.178 119.119 -0.941 18431 5897 1 13 . 1 1 97 97 TYR HA H 97 4.717 4.717 4.548 0.169 18431 5898 1 13 . 1 1 97 97 TYR CA C 97 58.312 58.312 60.114 -1.802 18431 5899 1 13 . 1 1 97 97 TYR CB C 97 40.223 40.223 39.435 0.788 18431 5900 1 13 . 1 1 97 97 TYR H H 97 8.438 8.438 8.387 0.051 18431 5901 1 13 . 1 1 98 98 GLY N N 98 109.735 109.735 104.556 5.179 18431 5902 1 13 . 1 1 98 98 GLY CA C 98 45.908 45.908 44.978 0.930 18431 5903 1 13 . 1 1 98 98 GLY H H 98 8.014 8.014 7.723 0.291 18431 5904 1 13 . 1 1 99 99 SER N N 99 114.137 114.137 115.379 -1.242 18431 5905 1 13 . 1 1 99 99 SER HA H 99 4.642 4.642 4.764 -0.122 18431 5906 1 13 . 1 1 99 99 SER CA C 99 57.226 57.226 56.769 0.457 18431 5907 1 13 . 1 1 99 99 SER CB C 99 64.294 64.294 64.329 -0.035 18431 5908 1 13 . 1 1 99 99 SER H H 99 7.666 7.666 8.068 -0.402 18431 5909 1 13 . 1 1 100 100 THR N N 100 110.514 110.514 111.838 -1.324 18431 5910 1 13 . 1 1 100 100 THR HA H 100 4.424 4.424 4.572 -0.148 18431 5911 1 13 . 1 1 100 100 THR CA C 100 60.964 60.964 60.462 0.502 18431 5912 1 13 . 1 1 100 100 THR CB C 100 70.303 70.303 70.894 -0.591 18431 5913 1 13 . 1 1 100 100 THR H H 100 7.899 7.899 8.109 -0.210 18431 5914 1 13 . 1 1 101 101 LEU N N 101 124.047 124.047 118.350 5.697 18431 5915 1 13 . 1 1 101 101 LEU HA H 101 4.313 4.313 4.636 -0.323 18431 5916 1 13 . 1 1 101 101 LEU CA C 101 54.930 54.930 54.049 0.881 18431 5917 1 13 . 1 1 101 101 LEU CB C 101 42.501 42.501 44.034 -1.533 18431 5918 1 13 . 1 1 101 101 LEU H H 101 8.847 8.847 8.066 0.781 18431 5919 1 13 . 1 1 102 102 LYS N N 102 124.883 124.883 122.711 2.172 18431 5920 1 13 . 1 1 102 102 LYS HA H 102 4.415 4.415 4.289 0.126 18431 5921 1 13 . 1 1 102 102 LYS CA C 102 55.588 55.588 56.065 -0.477 18431 5922 1 13 . 1 1 102 102 LYS CB C 102 32.596 32.596 32.665 -0.069 18431 5923 1 13 . 1 1 102 102 LYS H H 102 8.578 8.578 8.476 0.102 18431 5924 1 13 . 1 1 103 103 VAL N N 103 122.753 122.753 128.091 -5.338 18431 5925 1 13 . 1 1 103 103 VAL HA H 103 4.237 4.237 4.386 -0.149 18431 5926 1 13 . 1 1 103 103 VAL CA C 103 61.956 61.956 61.401 0.555 18431 5927 1 13 . 1 1 103 103 VAL CB C 103 32.747 32.747 31.353 1.394 18431 5928 1 13 . 1 1 103 103 VAL H H 103 8.348 8.348 8.631 -0.283 18431 5929 1 14 . 1 1 9 9 ALA N N 9 123.345 123.345 124.363 -1.018 18431 5930 1 14 . 1 1 9 9 ALA HA H 9 4.549 4.549 4.536 0.013 18431 5931 1 14 . 1 1 9 9 ALA CA C 9 50.151 50.151 51.216 -1.065 18431 5932 1 14 . 1 1 9 9 ALA CB C 9 18.185 18.185 19.038 -0.853 18431 5933 1 14 . 1 1 9 9 ALA H H 9 7.992 7.992 8.055 -0.063 18431 5934 1 14 . 1 1 10 10 PRO HA H 10 4.299 4.299 4.442 -0.143 18431 5935 1 14 . 1 1 10 10 PRO CA C 10 62.937 62.937 62.794 0.143 18431 5936 1 14 . 1 1 10 10 PRO CB C 10 31.902 31.902 32.153 -0.251 18431 5937 1 14 . 1 1 11 11 ASN N N 11 117.877 117.877 120.765 -2.888 18431 5938 1 14 . 1 1 11 11 ASN HA H 11 4.646 4.646 4.815 -0.169 18431 5939 1 14 . 1 1 11 11 ASN CA C 11 53.077 53.077 52.569 0.508 18431 5940 1 14 . 1 1 11 11 ASN CB C 11 38.590 38.590 38.989 -0.399 18431 5941 1 14 . 1 1 11 11 ASN H H 11 8.467 8.467 8.632 -0.165 18431 5942 1 14 . 1 1 12 12 LEU N N 12 122.874 122.874 121.958 0.916 18431 5943 1 14 . 1 1 12 12 LEU HA H 12 4.290 4.290 4.619 -0.329 18431 5944 1 14 . 1 1 12 12 LEU CA C 12 55.170 55.170 54.826 0.344 18431 5945 1 14 . 1 1 12 12 LEU CB C 12 42.131 42.131 43.610 -1.479 18431 5946 1 14 . 1 1 12 12 LEU H H 12 8.196 8.196 7.642 0.554 18431 5947 1 14 . 1 1 13 13 ALA N N 13 123.854 123.854 129.310 -5.456 18431 5948 1 14 . 1 1 13 13 ALA HA H 13 4.243 4.243 4.041 0.202 18431 5949 1 14 . 1 1 13 13 ALA CA C 13 52.672 52.672 52.739 -0.067 18431 5950 1 14 . 1 1 13 13 ALA CB C 13 18.923 18.923 17.521 1.402 18431 5951 1 14 . 1 1 13 13 ALA H H 13 8.214 8.214 9.183 -0.969 18431 5952 1 14 . 1 1 14 14 GLY N N 14 107.993 107.993 103.873 4.120 18431 5953 1 14 . 1 1 14 14 GLY CA C 14 44.989 44.989 45.288 -0.299 18431 5954 1 14 . 1 1 14 14 GLY H H 14 8.246 8.246 8.524 -0.278 18431 5955 1 14 . 1 1 15 15 ALA N N 15 123.594 123.594 119.597 3.997 18431 5956 1 14 . 1 1 15 15 ALA HA H 15 4.330 4.330 3.888 0.442 18431 5957 1 14 . 1 1 15 15 ALA CA C 15 52.147 52.147 52.849 -0.702 18431 5958 1 14 . 1 1 15 15 ALA CB C 15 18.941 18.941 17.173 1.768 18431 5959 1 14 . 1 1 15 15 ALA H H 15 8.017 8.017 7.670 0.347 18431 5960 1 14 . 1 1 16 16 VAL N N 16 119.010 119.010 112.176 6.834 18431 5961 1 14 . 1 1 16 16 VAL HA H 16 4.036 4.036 3.837 0.199 18431 5962 1 14 . 1 1 16 16 VAL CA C 16 62.127 62.127 64.307 -2.180 18431 5963 1 14 . 1 1 16 16 VAL CB C 16 32.727 32.727 31.933 0.794 18431 5964 1 14 . 1 1 16 16 VAL H H 16 8.060 8.060 7.508 0.552 18431 5965 1 14 . 1 1 17 17 GLU N N 17 124.211 124.211 119.522 4.689 18431 5966 1 14 . 1 1 17 17 GLU HA H 17 4.429 4.429 4.334 0.095 18431 5967 1 14 . 1 1 17 17 GLU CA C 17 57.429 57.429 56.810 0.619 18431 5968 1 14 . 1 1 17 17 GLU CB C 17 29.421 29.421 29.938 -0.516 18431 5969 1 14 . 1 1 17 17 GLU H H 17 8.436 8.436 7.704 0.732 18431 5970 1 14 . 1 1 18 18 PHE HA H 18 4.291 4.291 4.198 0.093 18431 5971 1 14 . 1 1 18 18 PHE CA C 18 60.955 60.955 60.660 0.296 18431 5972 1 14 . 1 1 18 18 PHE CB C 18 38.464 38.464 39.324 -0.860 18431 5973 1 14 . 1 1 19 19 SER N N 19 112.147 112.147 114.340 -2.193 18431 5974 1 14 . 1 1 19 19 SER HA H 19 3.659 3.659 3.961 -0.302 18431 5975 1 14 . 1 1 19 19 SER CA C 19 61.576 61.576 61.505 0.071 18431 5976 1 14 . 1 1 19 19 SER CB C 19 61.649 61.649 62.390 -0.741 18431 5977 1 14 . 1 1 19 19 SER H H 19 8.871 8.871 8.111 0.760 18431 5978 1 14 . 1 1 20 20 ASP N N 20 120.916 120.916 121.157 -0.241 18431 5979 1 14 . 1 1 20 20 ASP HA H 20 4.492 4.492 4.373 0.119 18431 5980 1 14 . 1 1 20 20 ASP CA C 20 56.696 56.696 57.101 -0.405 18431 5981 1 14 . 1 1 20 20 ASP CB C 20 40.543 40.543 40.595 -0.052 18431 5982 1 14 . 1 1 20 20 ASP H H 20 7.019 7.019 8.147 -1.128 18431 5983 1 14 . 1 1 21 21 VAL HA H 21 3.224 3.224 3.470 -0.246 18431 5984 1 14 . 1 1 21 21 VAL CA C 21 66.801 66.801 66.763 0.038 18431 5985 1 14 . 1 1 21 21 VAL CB C 21 31.741 31.741 31.711 0.030 18431 5986 1 14 . 1 1 22 22 LYS HA H 22 3.435 3.435 3.786 -0.351 18431 5987 1 14 . 1 1 22 22 LYS CA C 22 60.282 60.282 60.161 0.121 18431 5988 1 14 . 1 1 22 22 LYS CB C 22 31.283 31.283 31.692 -0.409 18431 5989 1 14 . 1 1 23 23 THR N N 23 116.224 116.224 116.869 -0.645 18431 5990 1 14 . 1 1 23 23 THR HA H 23 3.796 3.796 4.048 -0.252 18431 5991 1 14 . 1 1 23 23 THR CA C 23 66.591 66.591 67.568 -0.977 18431 5992 1 14 . 1 1 23 23 THR CB C 23 68.361 68.361 68.773 -0.412 18431 5993 1 14 . 1 1 23 23 THR H H 23 7.391 7.391 7.936 -0.545 18431 5994 1 14 . 1 1 24 24 LEU HA H 24 4.022 4.022 4.032 -0.010 18431 5995 1 14 . 1 1 24 24 LEU CA C 24 57.911 57.911 58.508 -0.597 18431 5996 1 14 . 1 1 24 24 LEU CB C 24 42.110 42.110 41.887 0.223 18431 5997 1 14 . 1 1 24 24 LEU H H 24 7.699 7.699 8.174 -0.475 18431 5998 1 14 . 1 1 25 25 LEU N N 25 118.389 118.389 119.359 -0.970 18431 5999 1 14 . 1 1 25 25 LEU HA H 25 4.135 4.135 4.173 -0.038 18431 6000 1 14 . 1 1 25 25 LEU CA C 25 57.864 57.864 58.204 -0.340 18431 6001 1 14 . 1 1 25 25 LEU CB C 25 42.653 42.653 41.883 0.770 18431 6002 1 14 . 1 1 25 25 LEU H H 25 8.331 8.331 8.107 0.224 18431 6003 1 14 . 1 1 26 26 LYS N N 26 118.433 118.433 119.601 -1.168 18431 6004 1 14 . 1 1 26 26 LYS HA H 26 3.833 3.833 3.820 0.013 18431 6005 1 14 . 1 1 26 26 LYS CA C 26 60.095 60.095 59.376 0.719 18431 6006 1 14 . 1 1 26 26 LYS CB C 26 31.623 31.623 32.086 -0.463 18431 6007 1 14 . 1 1 26 26 LYS H H 26 8.464 8.464 8.487 -0.023 18431 6008 1 14 . 1 1 27 27 GLU N N 27 120.838 120.838 118.881 1.957 18431 6009 1 14 . 1 1 27 27 GLU HA H 27 3.945 3.945 4.181 -0.236 18431 6010 1 14 . 1 1 27 27 GLU CA C 27 59.509 59.509 58.792 0.717 18431 6011 1 14 . 1 1 27 27 GLU CB C 27 29.199 29.199 29.710 -0.511 18431 6012 1 14 . 1 1 27 27 GLU H H 27 8.246 8.246 8.507 -0.261 18431 6013 1 14 . 1 1 28 28 TRP N N 28 122.200 122.200 120.699 1.501 18431 6014 1 14 . 1 1 28 28 TRP HA H 28 4.597 4.597 4.580 0.017 18431 6015 1 14 . 1 1 28 28 TRP CA C 28 59.443 59.443 60.351 -0.908 18431 6016 1 14 . 1 1 28 28 TRP CB C 28 29.083 29.083 29.520 -0.437 18431 6017 1 14 . 1 1 28 28 TRP H H 28 8.143 8.143 7.795 0.348 18431 6018 1 14 . 1 1 29 29 ILE N N 29 114.954 114.954 115.127 -0.173 18431 6019 1 14 . 1 1 29 29 ILE HA H 29 2.742 2.742 3.165 -0.423 18431 6020 1 14 . 1 1 29 29 ILE CA C 29 62.759 62.759 62.154 0.605 18431 6021 1 14 . 1 1 29 29 ILE CB C 29 37.992 37.992 38.331 -0.339 18431 6022 1 14 . 1 1 29 29 ILE H H 29 7.999 7.999 7.414 0.585 18431 6023 1 14 . 1 1 30 30 THR N N 30 106.869 106.869 113.153 -6.284 18431 6024 1 14 . 1 1 30 30 THR HA H 30 4.117 4.117 4.122 -0.005 18431 6025 1 14 . 1 1 30 30 THR CA C 30 63.447 63.447 64.517 -1.070 18431 6026 1 14 . 1 1 30 30 THR CB C 30 70.045 70.045 69.233 0.812 18431 6027 1 14 . 1 1 30 30 THR H H 30 7.622 7.622 7.754 -0.132 18431 6028 1 14 . 1 1 31 31 THR N N 31 111.890 111.890 114.515 -2.625 18431 6029 1 14 . 1 1 31 31 THR HA H 31 4.503 4.503 4.142 0.361 18431 6030 1 14 . 1 1 31 31 THR CA C 31 63.231 63.231 64.545 -1.314 18431 6031 1 14 . 1 1 31 31 THR CB C 31 70.556 70.556 69.259 1.297 18431 6032 1 14 . 1 1 31 31 THR H H 31 7.588 7.588 8.023 -0.435 18431 6033 1 14 . 1 1 32 32 ILE N N 32 123.663 123.663 122.491 1.172 18431 6034 1 14 . 1 1 32 32 ILE HA H 32 4.499 4.499 4.300 0.199 18431 6035 1 14 . 1 1 32 32 ILE CA C 32 59.426 59.426 59.935 -0.509 18431 6036 1 14 . 1 1 32 32 ILE CB C 32 37.378 37.378 37.315 0.063 18431 6037 1 14 . 1 1 32 32 ILE H H 32 7.929 7.929 7.495 0.434 18431 6038 1 14 . 1 1 33 33 SER N N 33 119.544 119.544 121.498 -1.954 18431 6039 1 14 . 1 1 33 33 SER HA H 33 4.523 4.523 4.692 -0.169 18431 6040 1 14 . 1 1 33 33 SER CA C 33 59.189 59.189 59.858 -0.669 18431 6041 1 14 . 1 1 33 33 SER CB C 33 63.838 63.838 65.011 -1.173 18431 6042 1 14 . 1 1 33 33 SER H H 33 8.418 8.418 8.728 -0.310 18431 6043 1 14 . 1 1 34 34 ASP HA H 34 4.821 4.821 4.887 -0.066 18431 6044 1 14 . 1 1 34 34 ASP CA C 34 51.168 51.168 51.421 -0.253 18431 6045 1 14 . 1 1 34 34 ASP CB C 34 41.139 41.139 42.114 -0.974 18431 6046 1 14 . 1 1 34 34 ASP H H 34 7.730 7.730 8.062 -0.332 18431 6047 1 14 . 1 1 35 35 PRO HA H 35 4.167 4.167 4.456 -0.289 18431 6048 1 14 . 1 1 35 35 PRO CA C 35 62.085 62.085 62.964 -0.879 18431 6049 1 14 . 1 1 35 35 PRO CB C 35 31.767 31.767 32.922 -1.155 18431 6050 1 14 . 1 1 36 36 MET N N 36 121.309 121.309 118.170 3.139 18431 6051 1 14 . 1 1 36 36 MET HA H 36 4.565 4.565 4.653 -0.088 18431 6052 1 14 . 1 1 36 36 MET CA C 36 53.867 53.867 54.350 -0.483 18431 6053 1 14 . 1 1 36 36 MET CB C 36 32.411 32.411 34.897 -2.486 18431 6054 1 14 . 1 1 36 36 MET H H 36 9.165 9.165 8.517 0.648 18431 6055 1 14 . 1 1 37 37 GLU N N 37 125.284 125.284 121.042 4.242 18431 6056 1 14 . 1 1 37 37 GLU HA H 37 3.744 3.744 3.819 -0.075 18431 6057 1 14 . 1 1 37 37 GLU CA C 37 60.307 60.307 59.861 0.446 18431 6058 1 14 . 1 1 37 37 GLU CB C 37 29.448 29.448 28.713 0.735 18431 6059 1 14 . 1 1 37 37 GLU H H 37 9.034 9.034 8.880 0.154 18431 6060 1 14 . 1 1 38 38 GLU N N 38 116.000 116.000 117.764 -1.764 18431 6061 1 14 . 1 1 38 38 GLU HA H 38 4.003 4.003 4.012 -0.009 18431 6062 1 14 . 1 1 38 38 GLU CA C 38 59.588 59.588 59.108 0.480 18431 6063 1 14 . 1 1 38 38 GLU CB C 38 29.280 29.280 28.744 0.536 18431 6064 1 14 . 1 1 38 38 GLU H H 38 9.356 9.356 8.797 0.559 18431 6065 1 14 . 1 1 39 39 ASP N N 39 118.974 118.974 120.871 -1.897 18431 6066 1 14 . 1 1 39 39 ASP HA H 39 4.493 4.493 4.498 -0.005 18431 6067 1 14 . 1 1 39 39 ASP CA C 39 57.231 57.231 57.634 -0.403 18431 6068 1 14 . 1 1 39 39 ASP CB C 39 41.226 41.226 40.498 0.728 18431 6069 1 14 . 1 1 39 39 ASP H H 39 7.169 7.169 8.112 -0.943 18431 6070 1 14 . 1 1 40 40 ILE N N 40 120.269 120.269 119.925 0.344 18431 6071 1 14 . 1 1 40 40 ILE HA H 40 3.845 3.845 4.052 -0.207 18431 6072 1 14 . 1 1 40 40 ILE CA C 40 65.345 65.345 64.600 0.745 18431 6073 1 14 . 1 1 40 40 ILE CB C 40 37.500 37.500 38.030 -0.530 18431 6074 1 14 . 1 1 40 40 ILE H H 40 7.766 7.766 7.362 0.404 18431 6075 1 14 . 1 1 41 41 LEU N N 41 118.715 118.715 119.677 -0.962 18431 6076 1 14 . 1 1 41 41 LEU HA H 41 4.131 4.131 4.064 0.067 18431 6077 1 14 . 1 1 41 41 LEU CA C 41 57.835 57.835 57.682 0.153 18431 6078 1 14 . 1 1 41 41 LEU CB C 41 40.819 40.819 41.230 -0.411 18431 6079 1 14 . 1 1 41 41 LEU H H 41 8.726 8.726 8.095 0.631 18431 6080 1 14 . 1 1 42 42 GLN N N 42 119.539 119.539 118.725 0.814 18431 6081 1 14 . 1 1 42 42 GLN HA H 42 4.177 4.177 4.106 0.071 18431 6082 1 14 . 1 1 42 42 GLN CA C 42 59.241 59.241 58.428 0.812 18431 6083 1 14 . 1 1 42 42 GLN CB C 42 28.518 28.518 28.313 0.205 18431 6084 1 14 . 1 1 42 42 GLN H H 42 7.768 7.768 7.973 -0.205 18431 6085 1 14 . 1 1 43 43 VAL N N 43 121.194 121.194 115.938 5.256 18431 6086 1 14 . 1 1 43 43 VAL HA H 43 3.787 3.787 3.730 0.057 18431 6087 1 14 . 1 1 43 43 VAL CA C 43 66.760 66.760 66.005 0.755 18431 6088 1 14 . 1 1 43 43 VAL CB C 43 31.423 31.423 31.127 0.296 18431 6089 1 14 . 1 1 43 43 VAL H H 43 7.712 7.712 7.569 0.143 18431 6090 1 14 . 1 1 44 44 VAL N N 44 120.876 120.876 119.136 1.740 18431 6091 1 14 . 1 1 44 44 VAL HA H 44 3.422 3.422 3.887 -0.465 18431 6092 1 14 . 1 1 44 44 VAL CA C 44 67.910 67.910 65.237 2.673 18431 6093 1 14 . 1 1 44 44 VAL CB C 44 31.392 31.392 30.762 0.629 18431 6094 1 14 . 1 1 44 44 VAL H H 44 8.232 8.232 7.715 0.517 18431 6095 1 14 . 1 1 45 45 ARG N N 45 120.934 120.934 120.861 0.073 18431 6096 1 14 . 1 1 45 45 ARG HA H 45 4.148 4.148 4.099 0.049 18431 6097 1 14 . 1 1 45 45 ARG CA C 45 58.593 58.593 58.893 -0.300 18431 6098 1 14 . 1 1 45 45 ARG CB C 45 29.608 29.608 29.603 0.005 18431 6099 1 14 . 1 1 45 45 ARG H H 45 8.489 8.489 7.660 0.829 18431 6100 1 14 . 1 1 46 46 TYR N N 46 120.548 120.548 121.356 -0.808 18431 6101 1 14 . 1 1 46 46 TYR HA H 46 4.547 4.547 4.238 0.309 18431 6102 1 14 . 1 1 46 46 TYR CA C 46 60.926 60.926 60.849 0.077 18431 6103 1 14 . 1 1 46 46 TYR CB C 46 38.447 38.447 38.167 0.280 18431 6104 1 14 . 1 1 46 46 TYR H H 46 7.870 7.870 7.848 0.022 18431 6105 1 14 . 1 1 47 47 CYS N N 47 115.132 115.132 116.856 -1.724 18431 6106 1 14 . 1 1 47 47 CYS HA H 47 3.738 3.738 3.735 0.003 18431 6107 1 14 . 1 1 47 47 CYS CA C 47 64.313 64.313 62.695 1.618 18431 6108 1 14 . 1 1 47 47 CYS CB C 47 27.744 27.744 26.789 0.955 18431 6109 1 14 . 1 1 47 47 CYS H H 47 8.109 8.109 7.711 0.398 18431 6110 1 14 . 1 1 48 48 THR N N 48 114.153 114.153 116.714 -2.561 18431 6111 1 14 . 1 1 48 48 THR HA H 48 3.877 3.877 4.038 -0.161 18431 6112 1 14 . 1 1 48 48 THR CA C 48 66.755 66.755 67.266 -0.511 18431 6113 1 14 . 1 1 48 48 THR CB C 48 67.593 67.593 68.203 -0.610 18431 6114 1 14 . 1 1 48 48 THR H H 48 8.776 8.776 7.619 1.157 18431 6115 1 14 . 1 1 49 49 ASP N N 49 126.528 126.528 122.476 4.052 18431 6116 1 14 . 1 1 49 49 ASP HA H 49 4.425 4.425 4.347 0.078 18431 6117 1 14 . 1 1 49 49 ASP CA C 49 57.688 57.688 57.370 0.318 18431 6118 1 14 . 1 1 49 49 ASP CB C 49 39.249 39.249 40.798 -1.549 18431 6119 1 14 . 1 1 49 49 ASP H H 49 8.697 8.697 7.925 0.772 18431 6120 1 14 . 1 1 50 50 LEU HA H 50 3.924 3.924 4.177 -0.253 18431 6121 1 14 . 1 1 50 50 LEU CA C 50 58.157 58.157 57.934 0.224 18431 6122 1 14 . 1 1 50 50 LEU CB C 50 41.408 41.408 41.983 -0.575 18431 6123 1 14 . 1 1 51 51 ILE N N 51 118.832 118.832 117.827 1.005 18431 6124 1 14 . 1 1 51 51 ILE HA H 51 3.417 3.417 3.717 -0.300 18431 6125 1 14 . 1 1 51 51 ILE CA C 51 66.261 66.261 64.519 1.742 18431 6126 1 14 . 1 1 51 51 ILE CB C 51 37.691 37.691 37.294 0.397 18431 6127 1 14 . 1 1 51 51 ILE H H 51 7.639 7.639 7.449 0.190 18431 6128 1 14 . 1 1 52 52 GLU N N 52 123.247 123.247 119.650 3.597 18431 6129 1 14 . 1 1 52 52 GLU HA H 52 4.001 4.001 4.105 -0.104 18431 6130 1 14 . 1 1 52 52 GLU CA C 52 59.592 59.592 58.815 0.777 18431 6131 1 14 . 1 1 52 52 GLU CB C 52 29.068 29.068 29.575 -0.507 18431 6132 1 14 . 1 1 52 52 GLU H H 52 8.506 8.506 7.904 0.602 18431 6133 1 14 . 1 1 53 53 GLU N N 53 116.384 116.384 115.957 0.427 18431 6134 1 14 . 1 1 53 53 GLU HA H 53 4.294 4.294 4.445 -0.151 18431 6135 1 14 . 1 1 53 53 GLU CA C 53 55.907 55.907 55.874 0.033 18431 6136 1 14 . 1 1 53 53 GLU CB C 53 29.710 29.710 29.604 0.106 18431 6137 1 14 . 1 1 53 53 GLU H H 53 7.716 7.716 7.775 -0.059 18431 6138 1 14 . 1 1 54 54 LYS N N 54 116.934 116.934 114.369 2.565 18431 6139 1 14 . 1 1 54 54 LYS HA H 54 3.662 3.662 3.984 -0.322 18431 6140 1 14 . 1 1 54 54 LYS CA C 54 57.278 57.278 58.104 -0.826 18431 6141 1 14 . 1 1 54 54 LYS CB C 54 29.785 29.785 30.153 -0.368 18431 6142 1 14 . 1 1 54 54 LYS H H 54 8.089 8.089 7.555 0.534 18431 6143 1 14 . 1 1 55 55 ASP N N 55 122.549 122.549 118.924 3.625 18431 6144 1 14 . 1 1 55 55 ASP HA H 55 5.058 5.058 4.819 0.239 18431 6145 1 14 . 1 1 55 55 ASP CA C 55 51.306 51.306 53.997 -2.691 18431 6146 1 14 . 1 1 55 55 ASP CB C 55 38.856 38.856 40.020 -1.164 18431 6147 1 14 . 1 1 55 55 ASP H H 55 8.497 8.497 8.277 0.220 18431 6148 1 14 . 1 1 56 56 LEU N N 56 119.627 119.627 117.039 2.588 18431 6149 1 14 . 1 1 56 56 LEU HA H 56 3.901 3.901 4.291 -0.390 18431 6150 1 14 . 1 1 56 56 LEU CA C 56 56.528 56.528 55.865 0.662 18431 6151 1 14 . 1 1 56 56 LEU CB C 56 40.034 40.034 40.373 -0.339 18431 6152 1 14 . 1 1 56 56 LEU H H 56 7.578 7.578 7.956 -0.378 18431 6153 1 14 . 1 1 57 57 GLU N N 57 121.433 121.433 120.482 0.951 18431 6154 1 14 . 1 1 57 57 GLU HA H 57 4.041 4.041 3.909 0.132 18431 6155 1 14 . 1 1 57 57 GLU CA C 57 59.321 59.321 59.742 -0.421 18431 6156 1 14 . 1 1 57 57 GLU CB C 57 29.229 29.229 28.931 0.298 18431 6157 1 14 . 1 1 57 57 GLU H H 57 8.614 8.614 8.399 0.215 18431 6158 1 14 . 1 1 58 58 LYS N N 58 119.832 119.832 118.092 1.740 18431 6159 1 14 . 1 1 58 58 LYS HA H 58 3.760 3.760 4.029 -0.269 18431 6160 1 14 . 1 1 58 58 LYS CA C 58 59.273 59.273 58.334 0.939 18431 6161 1 14 . 1 1 58 58 LYS CB C 58 32.370 32.370 32.317 0.053 18431 6162 1 14 . 1 1 58 58 LYS H H 58 7.527 7.527 7.474 0.053 18431 6163 1 14 . 1 1 59 59 LEU N N 59 117.844 117.844 119.146 -1.302 18431 6164 1 14 . 1 1 59 59 LEU HA H 59 3.912 3.912 4.158 -0.246 18431 6165 1 14 . 1 1 59 59 LEU CA C 59 57.865 57.865 57.682 0.183 18431 6166 1 14 . 1 1 59 59 LEU CB C 59 41.382 41.382 41.469 -0.088 18431 6167 1 14 . 1 1 59 59 LEU H H 59 7.570 7.570 7.414 0.156 18431 6168 1 14 . 1 1 60 60 ASP N N 60 117.630 117.630 119.426 -1.796 18431 6169 1 14 . 1 1 60 60 ASP HA H 60 4.273 4.273 4.289 -0.016 18431 6170 1 14 . 1 1 60 60 ASP CA C 60 57.695 57.695 57.213 0.482 18431 6171 1 14 . 1 1 60 60 ASP CB C 60 42.074 42.074 40.815 1.259 18431 6172 1 14 . 1 1 60 60 ASP H H 60 7.849 7.849 7.977 -0.128 18431 6173 1 14 . 1 1 61 61 LEU N N 61 116.500 116.500 118.470 -1.970 18431 6174 1 14 . 1 1 61 61 LEU HA H 61 3.924 3.924 4.171 -0.247 18431 6175 1 14 . 1 1 61 61 LEU CA C 61 57.886 57.886 56.908 0.978 18431 6176 1 14 . 1 1 61 61 LEU CB C 61 41.825 41.825 41.787 0.038 18431 6177 1 14 . 1 1 61 61 LEU H H 61 7.484 7.484 7.300 0.184 18431 6178 1 14 . 1 1 62 62 VAL N N 62 120.681 120.681 119.717 0.964 18431 6179 1 14 . 1 1 62 62 VAL HA H 62 3.963 3.963 3.939 0.024 18431 6180 1 14 . 1 1 62 62 VAL CA C 62 66.843 66.843 66.564 0.279 18431 6181 1 14 . 1 1 62 62 VAL CB C 62 31.954 31.954 31.163 0.791 18431 6182 1 14 . 1 1 62 62 VAL H H 62 8.682 8.682 7.407 1.275 18431 6183 1 14 . 1 1 63 63 ILE N N 63 122.448 122.448 117.471 4.977 18431 6184 1 14 . 1 1 63 63 ILE HA H 63 3.995 3.995 3.824 0.171 18431 6185 1 14 . 1 1 63 63 ILE CA C 63 63.777 63.777 63.927 -0.150 18431 6186 1 14 . 1 1 63 63 ILE CB C 63 35.707 35.707 36.292 -0.585 18431 6187 1 14 . 1 1 63 63 ILE H H 63 8.824 8.824 8.151 0.673 18431 6188 1 14 . 1 1 64 64 LYS N N 64 118.898 118.898 118.938 -0.040 18431 6189 1 14 . 1 1 64 64 LYS HA H 64 3.889 3.889 4.182 -0.293 18431 6190 1 14 . 1 1 64 64 LYS CA C 64 60.416 60.416 58.505 1.911 18431 6191 1 14 . 1 1 64 64 LYS CB C 64 32.563 32.563 31.937 0.626 18431 6192 1 14 . 1 1 64 64 LYS H H 64 8.368 8.368 7.853 0.515 18431 6193 1 14 . 1 1 65 65 TYR N N 65 121.217 121.217 121.937 -0.720 18431 6194 1 14 . 1 1 65 65 TYR HA H 65 4.330 4.330 4.370 -0.040 18431 6195 1 14 . 1 1 65 65 TYR CA C 65 61.779 61.779 60.754 1.025 18431 6196 1 14 . 1 1 65 65 TYR CB C 65 38.898 38.898 38.857 0.041 18431 6197 1 14 . 1 1 65 65 TYR H H 65 8.200 8.200 7.921 0.279 18431 6198 1 14 . 1 1 66 66 MET N N 66 116.741 116.741 118.296 -1.555 18431 6199 1 14 . 1 1 66 66 MET HA H 66 3.682 3.682 4.062 -0.380 18431 6200 1 14 . 1 1 66 66 MET CA C 66 60.444 60.444 59.055 1.389 18431 6201 1 14 . 1 1 66 66 MET CB C 66 33.627 33.627 33.163 0.464 18431 6202 1 14 . 1 1 66 66 MET H H 66 8.681 8.681 8.639 0.042 18431 6203 1 14 . 1 1 67 67 LYS N N 67 119.826 119.826 118.522 1.304 18431 6204 1 14 . 1 1 67 67 LYS HA H 67 2.637 2.637 3.127 -0.490 18431 6205 1 14 . 1 1 67 67 LYS CA C 67 59.949 59.949 58.839 1.110 18431 6206 1 14 . 1 1 67 67 LYS CB C 67 32.596 32.596 31.896 0.700 18431 6207 1 14 . 1 1 67 67 LYS H H 67 8.563 8.563 8.132 0.431 18431 6208 1 14 . 1 1 68 68 ARG N N 68 116.343 116.343 118.910 -2.567 18431 6209 1 14 . 1 1 68 68 ARG HA H 68 3.859 3.859 4.117 -0.258 18431 6210 1 14 . 1 1 68 68 ARG CA C 68 58.254 58.254 58.346 -0.092 18431 6211 1 14 . 1 1 68 68 ARG CB C 68 29.605 29.605 29.851 -0.246 18431 6212 1 14 . 1 1 68 68 ARG H H 68 7.117 7.117 7.612 -0.495 18431 6213 1 14 . 1 1 69 69 LEU N N 69 116.573 116.573 121.037 -4.464 18431 6214 1 14 . 1 1 69 69 LEU HA H 69 3.847 3.847 3.930 -0.083 18431 6215 1 14 . 1 1 69 69 LEU CA C 69 56.861 56.861 56.999 -0.138 18431 6216 1 14 . 1 1 69 69 LEU CB C 69 42.950 42.950 42.051 0.899 18431 6217 1 14 . 1 1 69 69 LEU H H 69 7.360 7.360 7.487 -0.127 18431 6218 1 14 . 1 1 70 70 MET N N 70 115.874 115.874 115.687 0.187 18431 6219 1 14 . 1 1 70 70 MET HA H 70 3.823 3.823 3.975 -0.152 18431 6220 1 14 . 1 1 70 70 MET CA C 70 59.195 59.195 58.378 0.817 18431 6221 1 14 . 1 1 70 70 MET CB C 70 32.315 32.315 32.438 -0.123 18431 6222 1 14 . 1 1 70 70 MET H H 70 8.769 8.769 7.716 1.053 18431 6223 1 14 . 1 1 71 71 GLN N N 71 114.286 114.286 116.390 -2.104 18431 6224 1 14 . 1 1 71 71 GLN HA H 71 4.416 4.416 4.069 0.347 18431 6225 1 14 . 1 1 71 71 GLN CA C 71 56.527 56.527 58.239 -1.712 18431 6226 1 14 . 1 1 71 71 GLN CB C 71 27.446 27.446 29.107 -1.661 18431 6227 1 14 . 1 1 71 71 GLN H H 71 7.522 7.522 7.517 0.005 18431 6228 1 14 . 1 1 72 72 GLN N N 72 117.645 117.645 116.497 1.148 18431 6229 1 14 . 1 1 72 72 GLN HA H 72 4.198 4.198 4.109 0.089 18431 6230 1 14 . 1 1 72 72 GLN CA C 72 56.549 56.549 56.859 -0.310 18431 6231 1 14 . 1 1 72 72 GLN CB C 72 28.824 28.824 28.624 0.200 18431 6232 1 14 . 1 1 72 72 GLN H H 72 7.279 7.279 7.431 -0.152 18431 6233 1 14 . 1 1 73 73 SER N N 73 113.600 113.600 116.073 -2.473 18431 6234 1 14 . 1 1 73 73 SER HA H 73 4.504 4.504 4.299 0.205 18431 6235 1 14 . 1 1 73 73 SER CA C 73 57.600 57.600 59.070 -1.470 18431 6236 1 14 . 1 1 73 73 SER CB C 73 63.542 63.542 64.519 -0.977 18431 6237 1 14 . 1 1 73 73 SER H H 73 7.588 7.588 7.487 0.101 18431 6238 1 14 . 1 1 74 74 VAL N N 74 121.652 121.652 116.430 5.222 18431 6239 1 14 . 1 1 74 74 VAL HA H 74 4.136 4.136 4.271 -0.135 18431 6240 1 14 . 1 1 74 74 VAL CA C 74 62.985 62.985 62.920 0.065 18431 6241 1 14 . 1 1 74 74 VAL CB C 74 31.797 31.797 32.222 -0.425 18431 6242 1 14 . 1 1 74 74 VAL H H 74 8.300 8.300 8.183 0.117 18431 6243 1 14 . 1 1 75 75 GLU N N 75 120.481 120.481 122.463 -1.982 18431 6244 1 14 . 1 1 75 75 GLU HA H 75 4.415 4.415 4.309 0.106 18431 6245 1 14 . 1 1 75 75 GLU CA C 75 56.061 56.061 57.379 -1.318 18431 6246 1 14 . 1 1 75 75 GLU CB C 75 29.153 29.153 29.081 0.072 18431 6247 1 14 . 1 1 75 75 GLU H H 75 8.486 8.486 8.458 0.028 18431 6248 1 14 . 1 1 76 76 SER HA H 76 4.498 4.498 4.103 0.395 18431 6249 1 14 . 1 1 76 76 SER CA C 76 59.426 59.426 61.593 -2.167 18431 6250 1 14 . 1 1 76 76 SER CB C 76 64.071 64.071 63.087 0.984 18431 6251 1 14 . 1 1 76 76 SER H H 76 8.142 8.142 8.710 -0.568 18431 6252 1 14 . 1 1 77 77 VAL N N 77 122.712 122.712 120.914 1.798 18431 6253 1 14 . 1 1 77 77 VAL HA H 77 4.036 4.036 3.723 0.313 18431 6254 1 14 . 1 1 77 77 VAL CA C 77 64.600 64.600 65.314 -0.714 18431 6255 1 14 . 1 1 77 77 VAL CB C 77 30.843 30.843 31.184 -0.341 18431 6256 1 14 . 1 1 77 77 VAL H H 77 8.750 8.750 8.125 0.625 18431 6257 1 14 . 1 1 78 78 TRP N N 78 121.247 121.247 119.749 1.498 18431 6258 1 14 . 1 1 78 78 TRP HA H 78 4.507 4.507 4.324 0.183 18431 6259 1 14 . 1 1 78 78 TRP CA C 78 59.753 59.753 60.717 -0.964 18431 6260 1 14 . 1 1 78 78 TRP CB C 78 29.332 29.332 29.322 0.010 18431 6261 1 14 . 1 1 78 78 TRP H H 78 7.837 7.837 7.512 0.325 18431 6262 1 14 . 1 1 79 79 ASN N N 79 119.032 119.032 118.454 0.578 18431 6263 1 14 . 1 1 79 79 ASN HA H 79 4.382 4.382 4.472 -0.090 18431 6264 1 14 . 1 1 79 79 ASN CA C 79 57.406 57.406 56.733 0.673 18431 6265 1 14 . 1 1 79 79 ASN CB C 79 38.813 38.813 38.382 0.431 18431 6266 1 14 . 1 1 79 79 ASN H H 79 7.856 7.856 8.214 -0.358 18431 6267 1 14 . 1 1 80 80 MET N N 80 117.280 117.280 117.788 -0.508 18431 6268 1 14 . 1 1 80 80 MET HA H 80 4.383 4.383 4.417 -0.034 18431 6269 1 14 . 1 1 80 80 MET CA C 80 58.111 58.111 57.446 0.666 18431 6270 1 14 . 1 1 80 80 MET CB C 80 32.350 32.350 31.778 0.572 18431 6271 1 14 . 1 1 80 80 MET H H 80 7.765 7.765 8.541 -0.776 18431 6272 1 14 . 1 1 81 81 ALA N N 81 123.582 123.582 123.239 0.343 18431 6273 1 14 . 1 1 81 81 ALA HA H 81 4.220 4.220 4.072 0.148 18431 6274 1 14 . 1 1 81 81 ALA CA C 81 54.997 54.997 55.188 -0.191 18431 6275 1 14 . 1 1 81 81 ALA CB C 81 17.615 17.615 17.867 -0.252 18431 6276 1 14 . 1 1 81 81 ALA H H 81 8.019 8.019 7.780 0.239 18431 6277 1 14 . 1 1 82 82 PHE N N 82 117.853 117.853 119.470 -1.617 18431 6278 1 14 . 1 1 82 82 PHE HA H 82 4.201 4.201 4.272 -0.071 18431 6279 1 14 . 1 1 82 82 PHE CA C 82 62.679 62.679 61.003 1.676 18431 6280 1 14 . 1 1 82 82 PHE CB C 82 38.078 38.078 38.905 -0.827 18431 6281 1 14 . 1 1 82 82 PHE H H 82 8.455 8.455 8.526 -0.071 18431 6282 1 14 . 1 1 83 83 ASP N N 83 118.244 118.244 118.765 -0.521 18431 6283 1 14 . 1 1 83 83 ASP HA H 83 4.250 4.250 4.112 0.138 18431 6284 1 14 . 1 1 83 83 ASP CA C 83 57.602 57.602 57.572 0.030 18431 6285 1 14 . 1 1 83 83 ASP CB C 83 40.117 40.117 40.512 -0.395 18431 6286 1 14 . 1 1 83 83 ASP H H 83 7.615 7.615 8.070 -0.455 18431 6287 1 14 . 1 1 84 84 PHE N N 84 120.090 120.090 120.174 -0.084 18431 6288 1 14 . 1 1 84 84 PHE HA H 84 4.319 4.319 4.240 0.079 18431 6289 1 14 . 1 1 84 84 PHE CA C 84 61.110 61.110 61.179 -0.069 18431 6290 1 14 . 1 1 84 84 PHE CB C 84 39.225 39.225 39.495 -0.270 18431 6291 1 14 . 1 1 84 84 PHE H H 84 7.849 7.849 7.502 0.347 18431 6292 1 14 . 1 1 85 85 ILE N N 85 122.915 122.915 120.145 2.770 18431 6293 1 14 . 1 1 85 85 ILE HA H 85 3.372 3.372 3.625 -0.253 18431 6294 1 14 . 1 1 85 85 ILE CA C 85 65.864 65.864 65.918 -0.054 18431 6295 1 14 . 1 1 85 85 ILE CB C 85 38.422 38.422 38.029 0.393 18431 6296 1 14 . 1 1 85 85 ILE H H 85 8.687 8.687 8.694 -0.006 18431 6297 1 14 . 1 1 86 86 LEU N N 86 119.481 119.481 117.331 2.150 18431 6298 1 14 . 1 1 86 86 LEU HA H 86 3.715 3.715 3.866 -0.151 18431 6299 1 14 . 1 1 86 86 LEU CA C 86 57.875 57.875 58.403 -0.527 18431 6300 1 14 . 1 1 86 86 LEU CB C 86 40.602 40.602 40.538 0.064 18431 6301 1 14 . 1 1 86 86 LEU H H 86 8.682 8.682 8.235 0.447 18431 6302 1 14 . 1 1 87 87 ASP N N 87 118.290 118.290 118.952 -0.662 18431 6303 1 14 . 1 1 87 87 ASP HA H 87 4.255 4.255 4.251 0.004 18431 6304 1 14 . 1 1 87 87 ASP CA C 87 57.604 57.604 56.979 0.625 18431 6305 1 14 . 1 1 87 87 ASP CB C 87 40.580 40.580 40.590 -0.010 18431 6306 1 14 . 1 1 87 87 ASP H H 87 8.301 8.301 7.649 0.652 18431 6307 1 14 . 1 1 88 88 ASN N N 88 115.606 115.606 117.961 -2.355 18431 6308 1 14 . 1 1 88 88 ASN HA H 88 4.139 4.139 4.406 -0.267 18431 6309 1 14 . 1 1 88 88 ASN CA C 88 57.067 57.067 56.241 0.826 18431 6310 1 14 . 1 1 88 88 ASN CB C 88 39.734 39.734 39.148 0.586 18431 6311 1 14 . 1 1 88 88 ASN H H 88 7.421 7.421 7.753 -0.332 18431 6312 1 14 . 1 1 89 89 VAL N N 89 120.092 120.092 117.161 2.931 18431 6313 1 14 . 1 1 89 89 VAL HA H 89 3.421 3.421 3.854 -0.433 18431 6314 1 14 . 1 1 89 89 VAL CA C 89 66.777 66.777 65.646 1.131 18431 6315 1 14 . 1 1 89 89 VAL CB C 89 31.592 31.592 31.695 -0.103 18431 6316 1 14 . 1 1 89 89 VAL H H 89 8.367 8.367 8.117 0.250 18431 6317 1 14 . 1 1 90 90 GLN N N 90 118.315 118.315 117.840 0.475 18431 6318 1 14 . 1 1 90 90 GLN HA H 90 4.427 4.427 4.146 0.281 18431 6319 1 14 . 1 1 90 90 GLN CA C 90 58.918 58.918 58.089 0.829 18431 6320 1 14 . 1 1 90 90 GLN CB C 90 28.471 28.471 28.693 -0.222 18431 6321 1 14 . 1 1 90 90 GLN H H 90 8.780 8.780 8.017 0.763 18431 6322 1 14 . 1 1 91 91 VAL N N 91 118.757 118.757 120.829 -2.072 18431 6323 1 14 . 1 1 91 91 VAL HA H 91 3.720 3.720 3.716 0.004 18431 6324 1 14 . 1 1 91 91 VAL CA C 91 66.303 66.303 65.730 0.573 18431 6325 1 14 . 1 1 91 91 VAL CB C 91 31.641 31.641 31.748 -0.107 18431 6326 1 14 . 1 1 91 91 VAL H H 91 7.640 7.640 7.463 0.177 18431 6327 1 14 . 1 1 92 92 VAL N N 92 120.289 120.289 119.857 0.432 18431 6328 1 14 . 1 1 92 92 VAL HA H 92 3.728 3.728 3.642 0.086 18431 6329 1 14 . 1 1 92 92 VAL CA C 92 66.270 66.270 66.269 0.001 18431 6330 1 14 . 1 1 92 92 VAL CB C 92 31.354 31.354 31.854 -0.500 18431 6331 1 14 . 1 1 92 92 VAL H H 92 7.382 7.382 7.788 -0.406 18431 6332 1 14 . 1 1 93 93 LEU N N 93 123.817 123.817 116.736 7.081 18431 6333 1 14 . 1 1 93 93 LEU HA H 93 4.038 4.038 4.274 -0.236 18431 6334 1 14 . 1 1 93 93 LEU CA C 93 58.777 58.777 57.751 1.026 18431 6335 1 14 . 1 1 93 93 LEU CB C 93 41.790 41.790 41.472 0.318 18431 6336 1 14 . 1 1 93 93 LEU H H 93 8.813 8.813 7.445 1.368 18431 6337 1 14 . 1 1 94 94 GLN N N 94 119.660 119.660 119.553 0.107 18431 6338 1 14 . 1 1 94 94 GLN HA H 94 3.990 3.990 4.281 -0.291 18431 6339 1 14 . 1 1 94 94 GLN CA C 94 58.977 58.977 58.558 0.419 18431 6340 1 14 . 1 1 94 94 GLN CB C 94 28.270 28.270 28.434 -0.164 18431 6341 1 14 . 1 1 94 94 GLN H H 94 8.469 8.469 7.769 0.700 18431 6342 1 14 . 1 1 95 95 GLN N N 95 117.593 117.593 117.078 0.515 18431 6343 1 14 . 1 1 95 95 GLN HA H 95 4.068 4.068 4.159 -0.091 18431 6344 1 14 . 1 1 95 95 GLN CA C 95 57.991 57.991 58.161 -0.170 18431 6345 1 14 . 1 1 95 95 GLN CB C 95 28.548 28.548 28.741 -0.193 18431 6346 1 14 . 1 1 95 95 GLN H H 95 8.088 8.088 7.694 0.394 18431 6347 1 14 . 1 1 96 96 THR N N 96 113.065 113.065 112.322 0.743 18431 6348 1 14 . 1 1 96 96 THR HA H 96 4.003 4.003 4.139 -0.136 18431 6349 1 14 . 1 1 96 96 THR CA C 96 64.857 64.857 64.040 0.817 18431 6350 1 14 . 1 1 96 96 THR CB C 96 69.618 69.618 69.242 0.376 18431 6351 1 14 . 1 1 96 96 THR H H 96 7.970 7.970 7.678 0.292 18431 6352 1 14 . 1 1 97 97 TYR N N 97 118.178 118.178 118.435 -0.257 18431 6353 1 14 . 1 1 97 97 TYR HA H 97 4.717 4.717 4.568 0.149 18431 6354 1 14 . 1 1 97 97 TYR CA C 97 58.312 58.312 59.688 -1.377 18431 6355 1 14 . 1 1 97 97 TYR CB C 97 40.223 40.223 39.778 0.445 18431 6356 1 14 . 1 1 97 97 TYR H H 97 8.438 8.438 8.440 -0.002 18431 6357 1 14 . 1 1 98 98 GLY N N 98 109.735 109.735 103.843 5.892 18431 6358 1 14 . 1 1 98 98 GLY CA C 98 45.908 45.908 45.105 0.803 18431 6359 1 14 . 1 1 98 98 GLY H H 98 8.014 8.014 8.048 -0.034 18431 6360 1 14 . 1 1 99 99 SER N N 99 114.137 114.137 114.634 -0.497 18431 6361 1 14 . 1 1 99 99 SER HA H 99 4.642 4.642 4.825 -0.183 18431 6362 1 14 . 1 1 99 99 SER CA C 99 57.226 57.226 57.101 0.125 18431 6363 1 14 . 1 1 99 99 SER CB C 99 64.294 64.294 66.004 -1.710 18431 6364 1 14 . 1 1 99 99 SER H H 99 7.666 7.666 8.015 -0.349 18431 6365 1 14 . 1 1 100 100 THR N N 100 110.514 110.514 112.256 -1.742 18431 6366 1 14 . 1 1 100 100 THR HA H 100 4.424 4.424 4.554 -0.130 18431 6367 1 14 . 1 1 100 100 THR CA C 100 60.964 60.964 60.185 0.779 18431 6368 1 14 . 1 1 100 100 THR CB C 100 70.303 70.303 71.102 -0.799 18431 6369 1 14 . 1 1 100 100 THR H H 100 7.899 7.899 8.108 -0.209 18431 6370 1 14 . 1 1 101 101 LEU N N 101 124.047 124.047 121.732 2.315 18431 6371 1 14 . 1 1 101 101 LEU HA H 101 4.313 4.313 4.340 -0.027 18431 6372 1 14 . 1 1 101 101 LEU CA C 101 54.930 54.930 54.420 0.509 18431 6373 1 14 . 1 1 101 101 LEU CB C 101 42.501 42.501 42.879 -0.378 18431 6374 1 14 . 1 1 101 101 LEU H H 101 8.847 8.847 8.380 0.467 18431 6375 1 14 . 1 1 102 102 LYS N N 102 124.883 124.883 121.543 3.340 18431 6376 1 14 . 1 1 102 102 LYS HA H 102 4.415 4.415 4.349 0.066 18431 6377 1 14 . 1 1 102 102 LYS CA C 102 55.588 55.588 55.861 -0.273 18431 6378 1 14 . 1 1 102 102 LYS CB C 102 32.596 32.596 31.916 0.680 18431 6379 1 14 . 1 1 102 102 LYS H H 102 8.578 8.578 8.426 0.152 18431 6380 1 14 . 1 1 103 103 VAL N N 103 122.753 122.753 127.749 -4.996 18431 6381 1 14 . 1 1 103 103 VAL HA H 103 4.237 4.237 4.406 -0.169 18431 6382 1 14 . 1 1 103 103 VAL CA C 103 61.956 61.956 62.044 -0.088 18431 6383 1 14 . 1 1 103 103 VAL CB C 103 32.747 32.747 31.835 0.912 18431 6384 1 14 . 1 1 103 103 VAL H H 103 8.348 8.348 8.685 -0.337 18431 6385 1 15 . 1 1 9 9 ALA N N 9 123.345 123.345 125.279 -1.934 18431 6386 1 15 . 1 1 9 9 ALA HA H 9 4.549 4.549 4.469 0.080 18431 6387 1 15 . 1 1 9 9 ALA CA C 9 50.151 50.151 51.134 -0.983 18431 6388 1 15 . 1 1 9 9 ALA CB C 9 18.185 18.185 19.140 -0.955 18431 6389 1 15 . 1 1 9 9 ALA H H 9 7.992 7.992 8.196 -0.204 18431 6390 1 15 . 1 1 10 10 PRO HA H 10 4.299 4.299 4.535 -0.236 18431 6391 1 15 . 1 1 10 10 PRO CA C 10 62.937 62.937 62.885 0.052 18431 6392 1 15 . 1 1 10 10 PRO CB C 10 31.902 31.902 30.676 1.226 18431 6393 1 15 . 1 1 11 11 ASN N N 11 117.877 117.877 121.237 -3.360 18431 6394 1 15 . 1 1 11 11 ASN HA H 11 4.646 4.646 4.627 0.019 18431 6395 1 15 . 1 1 11 11 ASN CA C 11 53.077 53.077 53.959 -0.882 18431 6396 1 15 . 1 1 11 11 ASN CB C 11 38.590 38.590 39.141 -0.550 18431 6397 1 15 . 1 1 11 11 ASN H H 11 8.467 8.467 8.470 -0.003 18431 6398 1 15 . 1 1 12 12 LEU N N 12 122.874 122.874 121.634 1.240 18431 6399 1 15 . 1 1 12 12 LEU HA H 12 4.290 4.290 4.355 -0.065 18431 6400 1 15 . 1 1 12 12 LEU CA C 12 55.170 55.170 56.254 -1.084 18431 6401 1 15 . 1 1 12 12 LEU CB C 12 42.131 42.131 42.166 -0.035 18431 6402 1 15 . 1 1 12 12 LEU H H 12 8.196 8.196 8.360 -0.164 18431 6403 1 15 . 1 1 13 13 ALA N N 13 123.854 123.854 121.026 2.828 18431 6404 1 15 . 1 1 13 13 ALA HA H 13 4.243 4.243 4.601 -0.358 18431 6405 1 15 . 1 1 13 13 ALA CA C 13 52.672 52.672 51.253 1.419 18431 6406 1 15 . 1 1 13 13 ALA CB C 13 18.923 18.923 20.908 -1.985 18431 6407 1 15 . 1 1 13 13 ALA H H 13 8.214 8.214 7.791 0.423 18431 6408 1 15 . 1 1 14 14 GLY N N 14 107.993 107.993 104.494 3.499 18431 6409 1 15 . 1 1 14 14 GLY CA C 14 44.989 44.989 44.589 0.400 18431 6410 1 15 . 1 1 14 14 GLY H H 14 8.246 8.246 8.500 -0.254 18431 6411 1 15 . 1 1 15 15 ALA N N 15 123.594 123.594 122.292 1.302 18431 6412 1 15 . 1 1 15 15 ALA HA H 15 4.330 4.330 4.047 0.283 18431 6413 1 15 . 1 1 15 15 ALA CA C 15 52.147 52.147 52.585 -0.438 18431 6414 1 15 . 1 1 15 15 ALA CB C 15 18.941 18.941 17.690 1.251 18431 6415 1 15 . 1 1 15 15 ALA H H 15 8.017 8.017 8.080 -0.063 18431 6416 1 15 . 1 1 16 16 VAL N N 16 119.010 119.010 113.149 5.861 18431 6417 1 15 . 1 1 16 16 VAL HA H 16 4.036 4.036 3.792 0.244 18431 6418 1 15 . 1 1 16 16 VAL CA C 16 62.127 62.127 64.009 -1.882 18431 6419 1 15 . 1 1 16 16 VAL CB C 16 32.727 32.727 31.959 0.768 18431 6420 1 15 . 1 1 16 16 VAL H H 16 8.060 8.060 8.025 0.035 18431 6421 1 15 . 1 1 17 17 GLU N N 17 124.211 124.211 120.127 4.084 18431 6422 1 15 . 1 1 17 17 GLU HA H 17 4.429 4.429 4.333 0.096 18431 6423 1 15 . 1 1 17 17 GLU CA C 17 57.429 57.429 55.038 2.391 18431 6424 1 15 . 1 1 17 17 GLU CB C 17 29.421 29.421 30.317 -0.896 18431 6425 1 15 . 1 1 17 17 GLU H H 17 8.436 8.436 7.707 0.729 18431 6426 1 15 . 1 1 18 18 PHE HA H 18 4.291 4.291 4.220 0.071 18431 6427 1 15 . 1 1 18 18 PHE CA C 18 60.955 60.955 59.933 1.022 18431 6428 1 15 . 1 1 18 18 PHE CB C 18 38.464 38.464 39.363 -0.899 18431 6429 1 15 . 1 1 19 19 SER N N 19 112.147 112.147 113.777 -1.630 18431 6430 1 15 . 1 1 19 19 SER HA H 19 3.659 3.659 3.848 -0.189 18431 6431 1 15 . 1 1 19 19 SER CA C 19 61.576 61.576 61.600 -0.024 18431 6432 1 15 . 1 1 19 19 SER CB C 19 61.649 61.649 62.186 -0.537 18431 6433 1 15 . 1 1 19 19 SER H H 19 8.871 8.871 8.415 0.456 18431 6434 1 15 . 1 1 20 20 ASP N N 20 120.916 120.916 120.754 0.162 18431 6435 1 15 . 1 1 20 20 ASP HA H 20 4.492 4.492 4.557 -0.065 18431 6436 1 15 . 1 1 20 20 ASP CA C 20 56.696 56.696 56.661 0.035 18431 6437 1 15 . 1 1 20 20 ASP CB C 20 40.543 40.543 40.620 -0.077 18431 6438 1 15 . 1 1 20 20 ASP H H 20 7.019 7.019 7.630 -0.611 18431 6439 1 15 . 1 1 21 21 VAL HA H 21 3.224 3.224 3.649 -0.425 18431 6440 1 15 . 1 1 21 21 VAL CA C 21 66.801 66.801 66.209 0.592 18431 6441 1 15 . 1 1 21 21 VAL CB C 21 31.741 31.741 31.983 -0.242 18431 6442 1 15 . 1 1 22 22 LYS HA H 22 3.435 3.435 3.845 -0.410 18431 6443 1 15 . 1 1 22 22 LYS CA C 22 60.282 60.282 59.284 0.998 18431 6444 1 15 . 1 1 22 22 LYS CB C 22 31.283 31.283 31.047 0.236 18431 6445 1 15 . 1 1 23 23 THR N N 23 116.224 116.224 117.729 -1.505 18431 6446 1 15 . 1 1 23 23 THR HA H 23 3.796 3.796 4.040 -0.244 18431 6447 1 15 . 1 1 23 23 THR CA C 23 66.591 66.591 66.925 -0.334 18431 6448 1 15 . 1 1 23 23 THR CB C 23 68.361 68.361 68.870 -0.509 18431 6449 1 15 . 1 1 23 23 THR H H 23 7.391 7.391 7.286 0.105 18431 6450 1 15 . 1 1 24 24 LEU HA H 24 4.022 4.022 4.469 -0.447 18431 6451 1 15 . 1 1 24 24 LEU CA C 24 57.911 57.911 58.057 -0.146 18431 6452 1 15 . 1 1 24 24 LEU CB C 24 42.110 42.110 41.160 0.950 18431 6453 1 15 . 1 1 24 24 LEU H H 24 7.699 7.699 7.583 0.116 18431 6454 1 15 . 1 1 25 25 LEU N N 25 118.389 118.389 118.982 -0.593 18431 6455 1 15 . 1 1 25 25 LEU HA H 25 4.135 4.135 4.288 -0.153 18431 6456 1 15 . 1 1 25 25 LEU CA C 25 57.864 57.864 57.564 0.300 18431 6457 1 15 . 1 1 25 25 LEU CB C 25 42.653 42.653 41.751 0.902 18431 6458 1 15 . 1 1 25 25 LEU H H 25 8.331 8.331 7.545 0.786 18431 6459 1 15 . 1 1 26 26 LYS N N 26 118.433 118.433 120.022 -1.589 18431 6460 1 15 . 1 1 26 26 LYS HA H 26 3.833 3.833 4.022 -0.189 18431 6461 1 15 . 1 1 26 26 LYS CA C 26 60.095 60.095 58.995 1.101 18431 6462 1 15 . 1 1 26 26 LYS CB C 26 31.623 31.623 32.407 -0.784 18431 6463 1 15 . 1 1 26 26 LYS H H 26 8.464 8.464 8.107 0.357 18431 6464 1 15 . 1 1 27 27 GLU N N 27 120.838 120.838 119.400 1.438 18431 6465 1 15 . 1 1 27 27 GLU HA H 27 3.945 3.945 4.252 -0.307 18431 6466 1 15 . 1 1 27 27 GLU CA C 27 59.509 59.509 58.442 1.067 18431 6467 1 15 . 1 1 27 27 GLU CB C 27 29.199 29.199 29.237 -0.038 18431 6468 1 15 . 1 1 27 27 GLU H H 27 8.246 8.246 8.761 -0.515 18431 6469 1 15 . 1 1 28 28 TRP N N 28 122.200 122.200 121.709 0.491 18431 6470 1 15 . 1 1 28 28 TRP HA H 28 4.597 4.597 4.589 0.008 18431 6471 1 15 . 1 1 28 28 TRP CA C 28 59.443 59.443 60.462 -1.019 18431 6472 1 15 . 1 1 28 28 TRP CB C 28 29.083 29.083 29.558 -0.475 18431 6473 1 15 . 1 1 28 28 TRP H H 28 8.143 8.143 8.071 0.072 18431 6474 1 15 . 1 1 29 29 ILE N N 29 114.954 114.954 116.937 -1.983 18431 6475 1 15 . 1 1 29 29 ILE HA H 29 2.742 2.742 3.493 -0.751 18431 6476 1 15 . 1 1 29 29 ILE CA C 29 62.759 62.759 63.004 -0.245 18431 6477 1 15 . 1 1 29 29 ILE CB C 29 37.992 37.992 38.373 -0.381 18431 6478 1 15 . 1 1 29 29 ILE H H 29 7.999 7.999 7.069 0.930 18431 6479 1 15 . 1 1 30 30 THR N N 30 106.869 106.869 113.727 -6.858 18431 6480 1 15 . 1 1 30 30 THR HA H 30 4.117 4.117 4.105 0.012 18431 6481 1 15 . 1 1 30 30 THR CA C 30 63.447 63.447 64.879 -1.432 18431 6482 1 15 . 1 1 30 30 THR CB C 30 70.045 70.045 69.204 0.841 18431 6483 1 15 . 1 1 30 30 THR H H 30 7.622 7.622 7.687 -0.065 18431 6484 1 15 . 1 1 31 31 THR N N 31 111.890 111.890 114.303 -2.413 18431 6485 1 15 . 1 1 31 31 THR HA H 31 4.503 4.503 4.127 0.376 18431 6486 1 15 . 1 1 31 31 THR CA C 31 63.231 63.231 64.293 -1.062 18431 6487 1 15 . 1 1 31 31 THR CB C 31 70.556 70.556 69.153 1.403 18431 6488 1 15 . 1 1 31 31 THR H H 31 7.588 7.588 7.941 -0.353 18431 6489 1 15 . 1 1 32 32 ILE N N 32 123.663 123.663 120.777 2.886 18431 6490 1 15 . 1 1 32 32 ILE HA H 32 4.499 4.499 4.291 0.208 18431 6491 1 15 . 1 1 32 32 ILE CA C 32 59.426 59.426 59.729 -0.303 18431 6492 1 15 . 1 1 32 32 ILE CB C 32 37.378 37.378 38.204 -0.826 18431 6493 1 15 . 1 1 32 32 ILE H H 32 7.929 7.929 7.497 0.432 18431 6494 1 15 . 1 1 33 33 SER N N 33 119.544 119.544 116.550 2.994 18431 6495 1 15 . 1 1 33 33 SER HA H 33 4.523 4.523 4.725 -0.202 18431 6496 1 15 . 1 1 33 33 SER CA C 33 59.189 59.189 58.442 0.747 18431 6497 1 15 . 1 1 33 33 SER CB C 33 63.838 63.838 64.861 -1.022 18431 6498 1 15 . 1 1 33 33 SER H H 33 8.418 8.418 8.682 -0.264 18431 6499 1 15 . 1 1 34 34 ASP HA H 34 4.821 4.821 4.855 -0.034 18431 6500 1 15 . 1 1 34 34 ASP CA C 34 51.168 51.168 51.318 -0.150 18431 6501 1 15 . 1 1 34 34 ASP CB C 34 41.139 41.139 41.743 -0.604 18431 6502 1 15 . 1 1 34 34 ASP H H 34 7.730 7.730 8.206 -0.476 18431 6503 1 15 . 1 1 35 35 PRO HA H 35 4.167 4.167 4.447 -0.280 18431 6504 1 15 . 1 1 35 35 PRO CA C 35 62.085 62.085 62.767 -0.682 18431 6505 1 15 . 1 1 35 35 PRO CB C 35 31.767 31.767 32.609 -0.842 18431 6506 1 15 . 1 1 36 36 MET N N 36 121.309 121.309 118.515 2.794 18431 6507 1 15 . 1 1 36 36 MET HA H 36 4.565 4.565 4.527 0.038 18431 6508 1 15 . 1 1 36 36 MET CA C 36 53.867 53.867 53.895 -0.028 18431 6509 1 15 . 1 1 36 36 MET CB C 36 32.411 32.411 34.523 -2.112 18431 6510 1 15 . 1 1 36 36 MET H H 36 9.165 9.165 8.334 0.831 18431 6511 1 15 . 1 1 37 37 GLU N N 37 125.284 125.284 122.292 2.992 18431 6512 1 15 . 1 1 37 37 GLU HA H 37 3.744 3.744 3.849 -0.105 18431 6513 1 15 . 1 1 37 37 GLU CA C 37 60.307 60.307 59.499 0.807 18431 6514 1 15 . 1 1 37 37 GLU CB C 37 29.448 29.448 28.895 0.553 18431 6515 1 15 . 1 1 37 37 GLU H H 37 9.034 9.034 8.889 0.145 18431 6516 1 15 . 1 1 38 38 GLU N N 38 116.000 116.000 117.882 -1.882 18431 6517 1 15 . 1 1 38 38 GLU HA H 38 4.003 4.003 4.101 -0.098 18431 6518 1 15 . 1 1 38 38 GLU CA C 38 59.588 59.588 58.985 0.603 18431 6519 1 15 . 1 1 38 38 GLU CB C 38 29.280 29.280 28.890 0.390 18431 6520 1 15 . 1 1 38 38 GLU H H 38 9.356 9.356 8.815 0.541 18431 6521 1 15 . 1 1 39 39 ASP N N 39 118.974 118.974 120.900 -1.926 18431 6522 1 15 . 1 1 39 39 ASP HA H 39 4.493 4.493 4.461 0.032 18431 6523 1 15 . 1 1 39 39 ASP CA C 39 57.231 57.231 57.083 0.148 18431 6524 1 15 . 1 1 39 39 ASP CB C 39 41.226 41.226 40.342 0.884 18431 6525 1 15 . 1 1 39 39 ASP H H 39 7.169 7.169 8.188 -1.019 18431 6526 1 15 . 1 1 40 40 ILE N N 40 120.269 120.269 119.077 1.192 18431 6527 1 15 . 1 1 40 40 ILE HA H 40 3.845 3.845 4.062 -0.217 18431 6528 1 15 . 1 1 40 40 ILE CA C 40 65.345 65.345 64.441 0.904 18431 6529 1 15 . 1 1 40 40 ILE CB C 40 37.500 37.500 38.044 -0.543 18431 6530 1 15 . 1 1 40 40 ILE H H 40 7.766 7.766 7.283 0.483 18431 6531 1 15 . 1 1 41 41 LEU N N 41 118.715 118.715 119.862 -1.147 18431 6532 1 15 . 1 1 41 41 LEU HA H 41 4.131 4.131 4.085 0.046 18431 6533 1 15 . 1 1 41 41 LEU CA C 41 57.835 57.835 57.605 0.230 18431 6534 1 15 . 1 1 41 41 LEU CB C 41 40.819 40.819 41.338 -0.519 18431 6535 1 15 . 1 1 41 41 LEU H H 41 8.726 8.726 7.565 1.161 18431 6536 1 15 . 1 1 42 42 GLN N N 42 119.539 119.539 118.912 0.627 18431 6537 1 15 . 1 1 42 42 GLN HA H 42 4.177 4.177 4.091 0.086 18431 6538 1 15 . 1 1 42 42 GLN CA C 42 59.241 59.241 58.658 0.583 18431 6539 1 15 . 1 1 42 42 GLN CB C 42 28.518 28.518 28.328 0.190 18431 6540 1 15 . 1 1 42 42 GLN H H 42 7.768 7.768 8.032 -0.264 18431 6541 1 15 . 1 1 43 43 VAL N N 43 121.194 121.194 115.780 5.414 18431 6542 1 15 . 1 1 43 43 VAL HA H 43 3.787 3.787 3.737 0.050 18431 6543 1 15 . 1 1 43 43 VAL CA C 43 66.760 66.760 65.857 0.903 18431 6544 1 15 . 1 1 43 43 VAL CB C 43 31.423 31.423 31.216 0.207 18431 6545 1 15 . 1 1 43 43 VAL H H 43 7.712 7.712 7.390 0.322 18431 6546 1 15 . 1 1 44 44 VAL N N 44 120.876 120.876 120.115 0.761 18431 6547 1 15 . 1 1 44 44 VAL HA H 44 3.422 3.422 3.879 -0.457 18431 6548 1 15 . 1 1 44 44 VAL CA C 44 67.910 67.910 66.227 1.683 18431 6549 1 15 . 1 1 44 44 VAL CB C 44 31.392 31.392 31.131 0.261 18431 6550 1 15 . 1 1 44 44 VAL H H 44 8.232 8.232 7.501 0.731 18431 6551 1 15 . 1 1 45 45 ARG N N 45 120.934 120.934 120.869 0.065 18431 6552 1 15 . 1 1 45 45 ARG HA H 45 4.148 4.148 4.090 0.058 18431 6553 1 15 . 1 1 45 45 ARG CA C 45 58.593 58.593 58.707 -0.114 18431 6554 1 15 . 1 1 45 45 ARG CB C 45 29.608 29.608 29.558 0.050 18431 6555 1 15 . 1 1 45 45 ARG H H 45 8.489 8.489 7.736 0.753 18431 6556 1 15 . 1 1 46 46 TYR N N 46 120.548 120.548 120.920 -0.372 18431 6557 1 15 . 1 1 46 46 TYR HA H 46 4.547 4.547 4.225 0.322 18431 6558 1 15 . 1 1 46 46 TYR CA C 46 60.926 60.926 61.311 -0.385 18431 6559 1 15 . 1 1 46 46 TYR CB C 46 38.447 38.447 38.185 0.262 18431 6560 1 15 . 1 1 46 46 TYR H H 46 7.870 7.870 7.860 0.010 18431 6561 1 15 . 1 1 47 47 CYS N N 47 115.132 115.132 117.176 -2.044 18431 6562 1 15 . 1 1 47 47 CYS HA H 47 3.738 3.738 3.816 -0.078 18431 6563 1 15 . 1 1 47 47 CYS CA C 47 64.313 64.313 63.426 0.887 18431 6564 1 15 . 1 1 47 47 CYS CB C 47 27.744 27.744 27.948 -0.204 18431 6565 1 15 . 1 1 47 47 CYS H H 47 8.109 8.109 7.723 0.386 18431 6566 1 15 . 1 1 48 48 THR N N 48 114.153 114.153 115.633 -1.480 18431 6567 1 15 . 1 1 48 48 THR HA H 48 3.877 3.877 4.015 -0.138 18431 6568 1 15 . 1 1 48 48 THR CA C 48 66.755 66.755 67.345 -0.590 18431 6569 1 15 . 1 1 48 48 THR CB C 48 67.593 67.593 68.238 -0.645 18431 6570 1 15 . 1 1 48 48 THR H H 48 8.776 8.776 8.303 0.473 18431 6571 1 15 . 1 1 49 49 ASP N N 49 126.528 126.528 121.117 5.411 18431 6572 1 15 . 1 1 49 49 ASP HA H 49 4.425 4.425 4.495 -0.070 18431 6573 1 15 . 1 1 49 49 ASP CA C 49 57.688 57.688 56.282 1.406 18431 6574 1 15 . 1 1 49 49 ASP CB C 49 39.249 39.249 40.938 -1.689 18431 6575 1 15 . 1 1 49 49 ASP H H 49 8.697 8.697 7.897 0.800 18431 6576 1 15 . 1 1 50 50 LEU HA H 50 3.924 3.924 4.145 -0.221 18431 6577 1 15 . 1 1 50 50 LEU CA C 50 58.157 58.157 57.471 0.686 18431 6578 1 15 . 1 1 50 50 LEU CB C 50 41.408 41.408 42.095 -0.687 18431 6579 1 15 . 1 1 51 51 ILE N N 51 118.832 118.832 117.255 1.577 18431 6580 1 15 . 1 1 51 51 ILE HA H 51 3.417 3.417 3.719 -0.302 18431 6581 1 15 . 1 1 51 51 ILE CA C 51 66.261 66.261 65.189 1.072 18431 6582 1 15 . 1 1 51 51 ILE CB C 51 37.691 37.691 37.347 0.344 18431 6583 1 15 . 1 1 51 51 ILE H H 51 7.639 7.639 7.508 0.131 18431 6584 1 15 . 1 1 52 52 GLU N N 52 123.247 123.247 119.183 4.064 18431 6585 1 15 . 1 1 52 52 GLU HA H 52 4.001 4.001 4.167 -0.166 18431 6586 1 15 . 1 1 52 52 GLU CA C 52 59.592 59.592 58.637 0.955 18431 6587 1 15 . 1 1 52 52 GLU CB C 52 29.068 29.068 29.194 -0.126 18431 6588 1 15 . 1 1 52 52 GLU H H 52 8.506 8.506 8.243 0.263 18431 6589 1 15 . 1 1 53 53 GLU N N 53 116.384 116.384 116.223 0.161 18431 6590 1 15 . 1 1 53 53 GLU HA H 53 4.294 4.294 4.453 -0.159 18431 6591 1 15 . 1 1 53 53 GLU CA C 53 55.907 55.907 55.755 0.152 18431 6592 1 15 . 1 1 53 53 GLU CB C 53 29.710 29.710 29.669 0.040 18431 6593 1 15 . 1 1 53 53 GLU H H 53 7.716 7.716 7.668 0.048 18431 6594 1 15 . 1 1 54 54 LYS N N 54 116.934 116.934 114.457 2.477 18431 6595 1 15 . 1 1 54 54 LYS HA H 54 3.662 3.662 3.973 -0.311 18431 6596 1 15 . 1 1 54 54 LYS CA C 54 57.278 57.278 58.106 -0.828 18431 6597 1 15 . 1 1 54 54 LYS CB C 54 29.785 29.785 30.227 -0.442 18431 6598 1 15 . 1 1 54 54 LYS H H 54 8.089 8.089 7.511 0.578 18431 6599 1 15 . 1 1 55 55 ASP N N 55 122.549 122.549 118.973 3.576 18431 6600 1 15 . 1 1 55 55 ASP HA H 55 5.058 5.058 4.796 0.262 18431 6601 1 15 . 1 1 55 55 ASP CA C 55 51.306 51.306 53.922 -2.615 18431 6602 1 15 . 1 1 55 55 ASP CB C 55 38.856 38.856 39.986 -1.130 18431 6603 1 15 . 1 1 55 55 ASP H H 55 8.497 8.497 8.482 0.015 18431 6604 1 15 . 1 1 56 56 LEU N N 56 119.627 119.627 116.998 2.629 18431 6605 1 15 . 1 1 56 56 LEU HA H 56 3.901 3.901 4.365 -0.464 18431 6606 1 15 . 1 1 56 56 LEU CA C 56 56.528 56.528 55.212 1.316 18431 6607 1 15 . 1 1 56 56 LEU CB C 56 40.034 40.034 40.280 -0.246 18431 6608 1 15 . 1 1 56 56 LEU H H 56 7.578 7.578 7.947 -0.369 18431 6609 1 15 . 1 1 57 57 GLU N N 57 121.433 121.433 120.680 0.753 18431 6610 1 15 . 1 1 57 57 GLU HA H 57 4.041 4.041 3.845 0.196 18431 6611 1 15 . 1 1 57 57 GLU CA C 57 59.321 59.321 59.691 -0.370 18431 6612 1 15 . 1 1 57 57 GLU CB C 57 29.229 29.229 29.064 0.165 18431 6613 1 15 . 1 1 57 57 GLU H H 57 8.614 8.614 8.530 0.084 18431 6614 1 15 . 1 1 58 58 LYS N N 58 119.832 119.832 117.363 2.469 18431 6615 1 15 . 1 1 58 58 LYS HA H 58 3.760 3.760 3.873 -0.113 18431 6616 1 15 . 1 1 58 58 LYS CA C 58 59.273 59.273 58.720 0.553 18431 6617 1 15 . 1 1 58 58 LYS CB C 58 32.370 32.370 31.929 0.441 18431 6618 1 15 . 1 1 58 58 LYS H H 58 7.527 7.527 7.460 0.067 18431 6619 1 15 . 1 1 59 59 LEU N N 59 117.844 117.844 122.118 -4.274 18431 6620 1 15 . 1 1 59 59 LEU HA H 59 3.912 3.912 3.975 -0.063 18431 6621 1 15 . 1 1 59 59 LEU CA C 59 57.865 57.865 57.669 0.196 18431 6622 1 15 . 1 1 59 59 LEU CB C 59 41.382 41.382 41.475 -0.093 18431 6623 1 15 . 1 1 59 59 LEU H H 59 7.570 7.570 7.522 0.048 18431 6624 1 15 . 1 1 60 60 ASP N N 60 117.630 117.630 118.429 -0.799 18431 6625 1 15 . 1 1 60 60 ASP HA H 60 4.273 4.273 4.290 -0.017 18431 6626 1 15 . 1 1 60 60 ASP CA C 60 57.695 57.695 57.369 0.326 18431 6627 1 15 . 1 1 60 60 ASP CB C 60 42.074 42.074 40.789 1.285 18431 6628 1 15 . 1 1 60 60 ASP H H 60 7.849 7.849 8.041 -0.192 18431 6629 1 15 . 1 1 61 61 LEU N N 61 116.500 116.500 118.383 -1.883 18431 6630 1 15 . 1 1 61 61 LEU HA H 61 3.924 3.924 4.139 -0.215 18431 6631 1 15 . 1 1 61 61 LEU CA C 61 57.886 57.886 57.005 0.881 18431 6632 1 15 . 1 1 61 61 LEU CB C 61 41.825 41.825 41.605 0.220 18431 6633 1 15 . 1 1 61 61 LEU H H 61 7.484 7.484 7.213 0.271 18431 6634 1 15 . 1 1 62 62 VAL N N 62 120.681 120.681 119.068 1.613 18431 6635 1 15 . 1 1 62 62 VAL HA H 62 3.963 3.963 3.972 -0.009 18431 6636 1 15 . 1 1 62 62 VAL CA C 62 66.843 66.843 65.861 0.982 18431 6637 1 15 . 1 1 62 62 VAL CB C 62 31.954 31.954 31.164 0.790 18431 6638 1 15 . 1 1 62 62 VAL H H 62 8.682 8.682 7.253 1.429 18431 6639 1 15 . 1 1 63 63 ILE N N 63 122.448 122.448 118.522 3.926 18431 6640 1 15 . 1 1 63 63 ILE HA H 63 3.995 3.995 3.847 0.148 18431 6641 1 15 . 1 1 63 63 ILE CA C 63 63.777 63.777 64.554 -0.777 18431 6642 1 15 . 1 1 63 63 ILE CB C 63 35.707 35.707 36.520 -0.813 18431 6643 1 15 . 1 1 63 63 ILE H H 63 8.824 8.824 8.334 0.490 18431 6644 1 15 . 1 1 64 64 LYS N N 64 118.898 118.898 118.717 0.181 18431 6645 1 15 . 1 1 64 64 LYS HA H 64 3.889 3.889 4.157 -0.268 18431 6646 1 15 . 1 1 64 64 LYS CA C 64 60.416 60.416 58.950 1.466 18431 6647 1 15 . 1 1 64 64 LYS CB C 64 32.563 32.563 31.782 0.781 18431 6648 1 15 . 1 1 64 64 LYS H H 64 8.368 8.368 7.784 0.584 18431 6649 1 15 . 1 1 65 65 TYR N N 65 121.217 121.217 121.697 -0.480 18431 6650 1 15 . 1 1 65 65 TYR HA H 65 4.330 4.330 4.336 -0.006 18431 6651 1 15 . 1 1 65 65 TYR CA C 65 61.779 61.779 61.239 0.540 18431 6652 1 15 . 1 1 65 65 TYR CB C 65 38.898 38.898 38.804 0.094 18431 6653 1 15 . 1 1 65 65 TYR H H 65 8.200 8.200 7.563 0.637 18431 6654 1 15 . 1 1 66 66 MET N N 66 116.741 116.741 118.602 -1.861 18431 6655 1 15 . 1 1 66 66 MET HA H 66 3.682 3.682 3.974 -0.292 18431 6656 1 15 . 1 1 66 66 MET CA C 66 60.444 60.444 59.372 1.072 18431 6657 1 15 . 1 1 66 66 MET CB C 66 33.627 33.627 33.377 0.249 18431 6658 1 15 . 1 1 66 66 MET H H 66 8.681 8.681 8.533 0.148 18431 6659 1 15 . 1 1 67 67 LYS N N 67 119.826 119.826 118.325 1.501 18431 6660 1 15 . 1 1 67 67 LYS HA H 67 2.637 2.637 3.053 -0.416 18431 6661 1 15 . 1 1 67 67 LYS CA C 67 59.949 59.949 59.021 0.928 18431 6662 1 15 . 1 1 67 67 LYS CB C 67 32.596 32.596 31.832 0.764 18431 6663 1 15 . 1 1 67 67 LYS H H 67 8.563 8.563 8.127 0.436 18431 6664 1 15 . 1 1 68 68 ARG N N 68 116.343 116.343 117.396 -1.053 18431 6665 1 15 . 1 1 68 68 ARG HA H 68 3.859 3.859 4.338 -0.479 18431 6666 1 15 . 1 1 68 68 ARG CA C 68 58.254 58.254 58.054 0.200 18431 6667 1 15 . 1 1 68 68 ARG CB C 68 29.605 29.605 29.834 -0.229 18431 6668 1 15 . 1 1 68 68 ARG H H 68 7.117 7.117 7.357 -0.240 18431 6669 1 15 . 1 1 69 69 LEU N N 69 116.573 116.573 121.596 -5.023 18431 6670 1 15 . 1 1 69 69 LEU HA H 69 3.847 3.847 4.068 -0.221 18431 6671 1 15 . 1 1 69 69 LEU CA C 69 56.861 56.861 56.978 -0.117 18431 6672 1 15 . 1 1 69 69 LEU CB C 69 42.950 42.950 41.995 0.955 18431 6673 1 15 . 1 1 69 69 LEU H H 69 7.360 7.360 7.362 -0.002 18431 6674 1 15 . 1 1 70 70 MET N N 70 115.874 115.874 116.828 -0.954 18431 6675 1 15 . 1 1 70 70 MET HA H 70 3.823 3.823 3.788 0.035 18431 6676 1 15 . 1 1 70 70 MET CA C 70 59.195 59.195 57.934 1.261 18431 6677 1 15 . 1 1 70 70 MET CB C 70 32.315 32.315 31.649 0.665 18431 6678 1 15 . 1 1 70 70 MET H H 70 8.769 8.769 8.270 0.499 18431 6679 1 15 . 1 1 71 71 GLN N N 71 114.286 114.286 117.529 -3.243 18431 6680 1 15 . 1 1 71 71 GLN HA H 71 4.416 4.416 3.944 0.472 18431 6681 1 15 . 1 1 71 71 GLN CA C 71 56.527 56.527 58.481 -1.954 18431 6682 1 15 . 1 1 71 71 GLN CB C 71 27.446 27.446 28.490 -1.044 18431 6683 1 15 . 1 1 71 71 GLN H H 71 7.522 7.522 7.680 -0.158 18431 6684 1 15 . 1 1 72 72 GLN N N 72 117.645 117.645 115.760 1.885 18431 6685 1 15 . 1 1 72 72 GLN HA H 72 4.198 4.198 4.053 0.145 18431 6686 1 15 . 1 1 72 72 GLN CA C 72 56.549 56.549 56.685 -0.136 18431 6687 1 15 . 1 1 72 72 GLN CB C 72 28.824 28.824 28.535 0.289 18431 6688 1 15 . 1 1 72 72 GLN H H 72 7.279 7.279 7.504 -0.225 18431 6689 1 15 . 1 1 73 73 SER N N 73 113.600 113.600 115.583 -1.983 18431 6690 1 15 . 1 1 73 73 SER HA H 73 4.504 4.504 4.494 0.010 18431 6691 1 15 . 1 1 73 73 SER CA C 73 57.600 57.600 57.692 -0.092 18431 6692 1 15 . 1 1 73 73 SER CB C 73 63.542 63.542 65.095 -1.553 18431 6693 1 15 . 1 1 73 73 SER H H 73 7.588 7.588 7.465 0.123 18431 6694 1 15 . 1 1 74 74 VAL N N 74 121.652 121.652 118.433 3.219 18431 6695 1 15 . 1 1 74 74 VAL HA H 74 4.136 4.136 4.226 -0.090 18431 6696 1 15 . 1 1 74 74 VAL CA C 74 62.985 62.985 62.420 0.564 18431 6697 1 15 . 1 1 74 74 VAL CB C 74 31.797 31.797 32.121 -0.324 18431 6698 1 15 . 1 1 74 74 VAL H H 74 8.300 8.300 8.201 0.099 18431 6699 1 15 . 1 1 75 75 GLU N N 75 120.481 120.481 121.766 -1.285 18431 6700 1 15 . 1 1 75 75 GLU HA H 75 4.415 4.415 4.328 0.087 18431 6701 1 15 . 1 1 75 75 GLU CA C 75 56.061 56.061 57.153 -1.092 18431 6702 1 15 . 1 1 75 75 GLU CB C 75 29.153 29.153 29.953 -0.800 18431 6703 1 15 . 1 1 75 75 GLU H H 75 8.486 8.486 8.389 0.097 18431 6704 1 15 . 1 1 76 76 SER HA H 76 4.498 4.498 4.220 0.278 18431 6705 1 15 . 1 1 76 76 SER CA C 76 59.426 59.426 61.134 -1.708 18431 6706 1 15 . 1 1 76 76 SER CB C 76 64.071 64.071 63.319 0.752 18431 6707 1 15 . 1 1 76 76 SER H H 76 8.142 8.142 8.889 -0.747 18431 6708 1 15 . 1 1 77 77 VAL N N 77 122.712 122.712 121.249 1.463 18431 6709 1 15 . 1 1 77 77 VAL HA H 77 4.036 4.036 3.698 0.338 18431 6710 1 15 . 1 1 77 77 VAL CA C 77 64.600 64.600 65.708 -1.108 18431 6711 1 15 . 1 1 77 77 VAL CB C 77 30.843 30.843 31.477 -0.633 18431 6712 1 15 . 1 1 77 77 VAL H H 77 8.750 8.750 8.086 0.664 18431 6713 1 15 . 1 1 78 78 TRP N N 78 121.247 121.247 119.293 1.954 18431 6714 1 15 . 1 1 78 78 TRP HA H 78 4.507 4.507 4.360 0.147 18431 6715 1 15 . 1 1 78 78 TRP CA C 78 59.753 59.753 60.477 -0.724 18431 6716 1 15 . 1 1 78 78 TRP CB C 78 29.332 29.332 29.429 -0.097 18431 6717 1 15 . 1 1 78 78 TRP H H 78 7.837 7.837 7.372 0.465 18431 6718 1 15 . 1 1 79 79 ASN N N 79 119.032 119.032 118.519 0.513 18431 6719 1 15 . 1 1 79 79 ASN HA H 79 4.382 4.382 4.551 -0.169 18431 6720 1 15 . 1 1 79 79 ASN CA C 79 57.406 57.406 56.699 0.707 18431 6721 1 15 . 1 1 79 79 ASN CB C 79 38.813 38.813 38.495 0.318 18431 6722 1 15 . 1 1 79 79 ASN H H 79 7.856 7.856 7.926 -0.070 18431 6723 1 15 . 1 1 80 80 MET N N 80 117.280 117.280 118.823 -1.543 18431 6724 1 15 . 1 1 80 80 MET HA H 80 4.383 4.383 4.269 0.114 18431 6725 1 15 . 1 1 80 80 MET CA C 80 58.111 58.111 59.112 -1.001 18431 6726 1 15 . 1 1 80 80 MET CB C 80 32.350 32.350 32.558 -0.208 18431 6727 1 15 . 1 1 80 80 MET H H 80 7.765 7.765 8.691 -0.926 18431 6728 1 15 . 1 1 81 81 ALA N N 81 123.582 123.582 122.955 0.627 18431 6729 1 15 . 1 1 81 81 ALA HA H 81 4.220 4.220 4.037 0.183 18431 6730 1 15 . 1 1 81 81 ALA CA C 81 54.997 54.997 55.385 -0.388 18431 6731 1 15 . 1 1 81 81 ALA CB C 81 17.615 17.615 18.182 -0.567 18431 6732 1 15 . 1 1 81 81 ALA H H 81 8.019 8.019 8.025 -0.006 18431 6733 1 15 . 1 1 82 82 PHE N N 82 117.853 117.853 119.260 -1.407 18431 6734 1 15 . 1 1 82 82 PHE HA H 82 4.201 4.201 4.271 -0.070 18431 6735 1 15 . 1 1 82 82 PHE CA C 82 62.679 62.679 60.354 2.325 18431 6736 1 15 . 1 1 82 82 PHE CB C 82 38.078 38.078 38.920 -0.842 18431 6737 1 15 . 1 1 82 82 PHE H H 82 8.455 8.455 8.514 -0.059 18431 6738 1 15 . 1 1 83 83 ASP N N 83 118.244 118.244 119.896 -1.652 18431 6739 1 15 . 1 1 83 83 ASP HA H 83 4.250 4.250 3.962 0.288 18431 6740 1 15 . 1 1 83 83 ASP CA C 83 57.602 57.602 57.426 0.176 18431 6741 1 15 . 1 1 83 83 ASP CB C 83 40.117 40.117 40.708 -0.591 18431 6742 1 15 . 1 1 83 83 ASP H H 83 7.615 7.615 7.989 -0.374 18431 6743 1 15 . 1 1 84 84 PHE N N 84 120.090 120.090 119.725 0.365 18431 6744 1 15 . 1 1 84 84 PHE HA H 84 4.319 4.319 4.269 0.050 18431 6745 1 15 . 1 1 84 84 PHE CA C 84 61.110 61.110 61.280 -0.170 18431 6746 1 15 . 1 1 84 84 PHE CB C 84 39.225 39.225 39.632 -0.407 18431 6747 1 15 . 1 1 84 84 PHE H H 84 7.849 7.849 7.705 0.144 18431 6748 1 15 . 1 1 85 85 ILE N N 85 122.915 122.915 120.429 2.486 18431 6749 1 15 . 1 1 85 85 ILE HA H 85 3.372 3.372 3.663 -0.291 18431 6750 1 15 . 1 1 85 85 ILE CA C 85 65.864 65.864 66.050 -0.186 18431 6751 1 15 . 1 1 85 85 ILE CB C 85 38.422 38.422 38.126 0.296 18431 6752 1 15 . 1 1 85 85 ILE H H 85 8.687 8.687 8.659 0.028 18431 6753 1 15 . 1 1 86 86 LEU N N 86 119.481 119.481 117.986 1.495 18431 6754 1 15 . 1 1 86 86 LEU HA H 86 3.715 3.715 3.937 -0.222 18431 6755 1 15 . 1 1 86 86 LEU CA C 86 57.875 57.875 58.392 -0.517 18431 6756 1 15 . 1 1 86 86 LEU CB C 86 40.602 40.602 40.713 -0.111 18431 6757 1 15 . 1 1 86 86 LEU H H 86 8.682 8.682 8.268 0.414 18431 6758 1 15 . 1 1 87 87 ASP N N 87 118.290 118.290 118.755 -0.465 18431 6759 1 15 . 1 1 87 87 ASP HA H 87 4.255 4.255 4.200 0.055 18431 6760 1 15 . 1 1 87 87 ASP CA C 87 57.604 57.604 56.858 0.746 18431 6761 1 15 . 1 1 87 87 ASP CB C 87 40.580 40.580 40.495 0.086 18431 6762 1 15 . 1 1 87 87 ASP H H 87 8.301 8.301 7.673 0.628 18431 6763 1 15 . 1 1 88 88 ASN N N 88 115.606 115.606 117.831 -2.225 18431 6764 1 15 . 1 1 88 88 ASN HA H 88 4.139 4.139 4.359 -0.220 18431 6765 1 15 . 1 1 88 88 ASN CA C 88 57.067 57.067 55.999 1.068 18431 6766 1 15 . 1 1 88 88 ASN CB C 88 39.734 39.734 38.897 0.837 18431 6767 1 15 . 1 1 88 88 ASN H H 88 7.421 7.421 7.682 -0.261 18431 6768 1 15 . 1 1 89 89 VAL N N 89 120.092 120.092 117.122 2.970 18431 6769 1 15 . 1 1 89 89 VAL HA H 89 3.421 3.421 3.936 -0.515 18431 6770 1 15 . 1 1 89 89 VAL CA C 89 66.777 66.777 65.882 0.895 18431 6771 1 15 . 1 1 89 89 VAL CB C 89 31.592 31.592 30.842 0.750 18431 6772 1 15 . 1 1 89 89 VAL H H 89 8.367 8.367 7.734 0.633 18431 6773 1 15 . 1 1 90 90 GLN N N 90 118.315 118.315 118.416 -0.101 18431 6774 1 15 . 1 1 90 90 GLN HA H 90 4.427 4.427 4.137 0.290 18431 6775 1 15 . 1 1 90 90 GLN CA C 90 58.918 58.918 58.422 0.496 18431 6776 1 15 . 1 1 90 90 GLN CB C 90 28.471 28.471 28.571 -0.100 18431 6777 1 15 . 1 1 90 90 GLN H H 90 8.780 8.780 8.127 0.653 18431 6778 1 15 . 1 1 91 91 VAL N N 91 118.757 118.757 120.258 -1.501 18431 6779 1 15 . 1 1 91 91 VAL HA H 91 3.720 3.720 3.729 -0.009 18431 6780 1 15 . 1 1 91 91 VAL CA C 91 66.303 66.303 66.020 0.283 18431 6781 1 15 . 1 1 91 91 VAL CB C 91 31.641 31.641 31.689 -0.048 18431 6782 1 15 . 1 1 91 91 VAL H H 91 7.640 7.640 7.743 -0.103 18431 6783 1 15 . 1 1 92 92 VAL N N 92 120.289 120.289 120.354 -0.065 18431 6784 1 15 . 1 1 92 92 VAL HA H 92 3.728 3.728 3.717 0.011 18431 6785 1 15 . 1 1 92 92 VAL CA C 92 66.270 66.270 66.262 0.008 18431 6786 1 15 . 1 1 92 92 VAL CB C 92 31.354 31.354 31.530 -0.176 18431 6787 1 15 . 1 1 92 92 VAL H H 92 7.382 7.382 7.875 -0.493 18431 6788 1 15 . 1 1 93 93 LEU N N 93 123.817 123.817 115.857 7.960 18431 6789 1 15 . 1 1 93 93 LEU HA H 93 4.038 4.038 4.267 -0.229 18431 6790 1 15 . 1 1 93 93 LEU CA C 93 58.777 58.777 57.914 0.862 18431 6791 1 15 . 1 1 93 93 LEU CB C 93 41.790 41.790 41.055 0.735 18431 6792 1 15 . 1 1 93 93 LEU H H 93 8.813 8.813 7.406 1.407 18431 6793 1 15 . 1 1 94 94 GLN N N 94 119.660 119.660 119.494 0.166 18431 6794 1 15 . 1 1 94 94 GLN HA H 94 3.990 3.990 4.280 -0.290 18431 6795 1 15 . 1 1 94 94 GLN CA C 94 58.977 58.977 58.541 0.436 18431 6796 1 15 . 1 1 94 94 GLN CB C 94 28.270 28.270 28.439 -0.169 18431 6797 1 15 . 1 1 94 94 GLN H H 94 8.469 8.469 7.764 0.705 18431 6798 1 15 . 1 1 95 95 GLN N N 95 117.593 117.593 116.161 1.432 18431 6799 1 15 . 1 1 95 95 GLN HA H 95 4.068 4.068 4.162 -0.094 18431 6800 1 15 . 1 1 95 95 GLN CA C 95 57.991 57.991 57.986 0.005 18431 6801 1 15 . 1 1 95 95 GLN CB C 95 28.548 28.548 28.778 -0.230 18431 6802 1 15 . 1 1 95 95 GLN H H 95 8.088 8.088 7.658 0.430 18431 6803 1 15 . 1 1 96 96 THR N N 96 113.065 113.065 112.816 0.249 18431 6804 1 15 . 1 1 96 96 THR HA H 96 4.003 4.003 4.208 -0.205 18431 6805 1 15 . 1 1 96 96 THR CA C 96 64.857 64.857 64.054 0.803 18431 6806 1 15 . 1 1 96 96 THR CB C 96 69.618 69.618 69.469 0.149 18431 6807 1 15 . 1 1 96 96 THR H H 96 7.970 7.970 7.627 0.343 18431 6808 1 15 . 1 1 97 97 TYR N N 97 118.178 118.178 118.428 -0.250 18431 6809 1 15 . 1 1 97 97 TYR HA H 97 4.717 4.717 4.564 0.153 18431 6810 1 15 . 1 1 97 97 TYR CA C 97 58.312 58.312 59.715 -1.403 18431 6811 1 15 . 1 1 97 97 TYR CB C 97 40.223 40.223 39.786 0.437 18431 6812 1 15 . 1 1 97 97 TYR H H 97 8.438 8.438 8.448 -0.010 18431 6813 1 15 . 1 1 98 98 GLY N N 98 109.735 109.735 104.832 4.903 18431 6814 1 15 . 1 1 98 98 GLY CA C 98 45.908 45.908 45.070 0.838 18431 6815 1 15 . 1 1 98 98 GLY H H 98 8.014 8.014 8.174 -0.160 18431 6816 1 15 . 1 1 99 99 SER N N 99 114.137 114.137 113.559 0.578 18431 6817 1 15 . 1 1 99 99 SER HA H 99 4.642 4.642 4.768 -0.126 18431 6818 1 15 . 1 1 99 99 SER CA C 99 57.226 57.226 56.458 0.768 18431 6819 1 15 . 1 1 99 99 SER CB C 99 64.294 64.294 65.605 -1.311 18431 6820 1 15 . 1 1 99 99 SER H H 99 7.666 7.666 7.857 -0.191 18431 6821 1 15 . 1 1 100 100 THR N N 100 110.514 110.514 110.978 -0.464 18431 6822 1 15 . 1 1 100 100 THR HA H 100 4.424 4.424 4.479 -0.055 18431 6823 1 15 . 1 1 100 100 THR CA C 100 60.964 60.964 60.621 0.343 18431 6824 1 15 . 1 1 100 100 THR CB C 100 70.303 70.303 71.348 -1.045 18431 6825 1 15 . 1 1 100 100 THR H H 100 7.899 7.899 8.081 -0.181 18431 6826 1 15 . 1 1 101 101 LEU N N 101 124.047 124.047 121.112 2.935 18431 6827 1 15 . 1 1 101 101 LEU HA H 101 4.313 4.313 4.426 -0.113 18431 6828 1 15 . 1 1 101 101 LEU CA C 101 54.930 54.930 53.984 0.946 18431 6829 1 15 . 1 1 101 101 LEU CB C 101 42.501 42.501 42.935 -0.434 18431 6830 1 15 . 1 1 101 101 LEU H H 101 8.847 8.847 8.168 0.679 18431 6831 1 15 . 1 1 102 102 LYS N N 102 124.883 124.883 121.640 3.243 18431 6832 1 15 . 1 1 102 102 LYS HA H 102 4.415 4.415 4.345 0.070 18431 6833 1 15 . 1 1 102 102 LYS CA C 102 55.588 55.588 55.760 -0.171 18431 6834 1 15 . 1 1 102 102 LYS CB C 102 32.596 32.596 32.254 0.342 18431 6835 1 15 . 1 1 102 102 LYS H H 102 8.578 8.578 8.360 0.218 18431 6836 1 15 . 1 1 103 103 VAL N N 103 122.753 122.753 127.652 -4.899 18431 6837 1 15 . 1 1 103 103 VAL HA H 103 4.237 4.237 4.339 -0.102 18431 6838 1 15 . 1 1 103 103 VAL CA C 103 61.956 61.956 61.290 0.666 18431 6839 1 15 . 1 1 103 103 VAL CB C 103 32.747 32.747 31.524 1.223 18431 6840 1 15 . 1 1 103 103 VAL H H 103 8.348 8.348 8.556 -0.208 18431 6841 1 16 . 1 1 9 9 ALA N N 9 123.345 123.345 125.884 -2.539 18431 6842 1 16 . 1 1 9 9 ALA HA H 9 4.549 4.549 4.877 -0.328 18431 6843 1 16 . 1 1 9 9 ALA CA C 9 50.151 50.151 50.926 -0.775 18431 6844 1 16 . 1 1 9 9 ALA CB C 9 18.185 18.185 19.108 -0.923 18431 6845 1 16 . 1 1 9 9 ALA H H 9 7.992 7.992 8.291 -0.299 18431 6846 1 16 . 1 1 10 10 PRO HA H 10 4.299 4.299 4.460 -0.161 18431 6847 1 16 . 1 1 10 10 PRO CA C 10 62.937 62.937 62.057 0.880 18431 6848 1 16 . 1 1 10 10 PRO CB C 10 31.902 31.902 32.291 -0.390 18431 6849 1 16 . 1 1 11 11 ASN N N 11 117.877 117.877 118.525 -0.648 18431 6850 1 16 . 1 1 11 11 ASN HA H 11 4.646 4.646 4.770 -0.124 18431 6851 1 16 . 1 1 11 11 ASN CA C 11 53.077 53.077 52.973 0.104 18431 6852 1 16 . 1 1 11 11 ASN CB C 11 38.590 38.590 37.423 1.167 18431 6853 1 16 . 1 1 11 11 ASN H H 11 8.467 8.467 8.521 -0.054 18431 6854 1 16 . 1 1 12 12 LEU N N 12 122.874 122.874 122.613 0.261 18431 6855 1 16 . 1 1 12 12 LEU HA H 12 4.290 4.290 4.559 -0.269 18431 6856 1 16 . 1 1 12 12 LEU CA C 12 55.170 55.170 54.277 0.893 18431 6857 1 16 . 1 1 12 12 LEU CB C 12 42.131 42.131 43.218 -1.087 18431 6858 1 16 . 1 1 12 12 LEU H H 12 8.196 8.196 7.665 0.531 18431 6859 1 16 . 1 1 13 13 ALA N N 13 123.854 123.854 125.325 -1.471 18431 6860 1 16 . 1 1 13 13 ALA HA H 13 4.243 4.243 4.057 0.186 18431 6861 1 16 . 1 1 13 13 ALA CA C 13 52.672 52.672 53.946 -1.274 18431 6862 1 16 . 1 1 13 13 ALA CB C 13 18.923 18.923 18.628 0.295 18431 6863 1 16 . 1 1 13 13 ALA H H 13 8.214 8.214 8.600 -0.386 18431 6864 1 16 . 1 1 14 14 GLY N N 14 107.993 107.993 106.132 1.861 18431 6865 1 16 . 1 1 14 14 GLY CA C 14 44.989 44.989 45.186 -0.197 18431 6866 1 16 . 1 1 14 14 GLY H H 14 8.246 8.246 8.299 -0.053 18431 6867 1 16 . 1 1 15 15 ALA N N 15 123.594 123.594 121.264 2.330 18431 6868 1 16 . 1 1 15 15 ALA HA H 15 4.330 4.330 4.296 0.034 18431 6869 1 16 . 1 1 15 15 ALA CA C 15 52.147 52.147 51.748 0.399 18431 6870 1 16 . 1 1 15 15 ALA CB C 15 18.941 18.941 20.049 -1.108 18431 6871 1 16 . 1 1 15 15 ALA H H 15 8.017 8.017 7.555 0.462 18431 6872 1 16 . 1 1 16 16 VAL N N 16 119.010 119.010 118.752 0.258 18431 6873 1 16 . 1 1 16 16 VAL HA H 16 4.036 4.036 4.316 -0.280 18431 6874 1 16 . 1 1 16 16 VAL CA C 16 62.127 62.127 62.924 -0.797 18431 6875 1 16 . 1 1 16 16 VAL CB C 16 32.727 32.727 32.815 -0.088 18431 6876 1 16 . 1 1 16 16 VAL H H 16 8.060 8.060 8.176 -0.116 18431 6877 1 16 . 1 1 17 17 GLU N N 17 124.211 124.211 119.914 4.297 18431 6878 1 16 . 1 1 17 17 GLU HA H 17 4.429 4.429 4.539 -0.110 18431 6879 1 16 . 1 1 17 17 GLU CA C 17 57.429 57.429 55.214 2.215 18431 6880 1 16 . 1 1 17 17 GLU CB C 17 29.421 29.421 30.492 -1.071 18431 6881 1 16 . 1 1 17 17 GLU H H 17 8.436 8.436 8.032 0.404 18431 6882 1 16 . 1 1 18 18 PHE HA H 18 4.291 4.291 4.179 0.112 18431 6883 1 16 . 1 1 18 18 PHE CA C 18 60.955 60.955 60.974 -0.019 18431 6884 1 16 . 1 1 18 18 PHE CB C 18 38.464 38.464 39.105 -0.641 18431 6885 1 16 . 1 1 19 19 SER N N 19 112.147 112.147 114.105 -1.958 18431 6886 1 16 . 1 1 19 19 SER HA H 19 3.659 3.659 3.907 -0.248 18431 6887 1 16 . 1 1 19 19 SER CA C 19 61.576 61.576 61.845 -0.269 18431 6888 1 16 . 1 1 19 19 SER CB C 19 61.649 61.649 62.499 -0.850 18431 6889 1 16 . 1 1 19 19 SER H H 19 8.871 8.871 8.320 0.551 18431 6890 1 16 . 1 1 20 20 ASP N N 20 120.916 120.916 121.371 -0.455 18431 6891 1 16 . 1 1 20 20 ASP HA H 20 4.492 4.492 4.494 -0.002 18431 6892 1 16 . 1 1 20 20 ASP CA C 20 56.696 56.696 56.579 0.117 18431 6893 1 16 . 1 1 20 20 ASP CB C 20 40.543 40.543 41.022 -0.479 18431 6894 1 16 . 1 1 20 20 ASP H H 20 7.019 7.019 7.538 -0.519 18431 6895 1 16 . 1 1 21 21 VAL HA H 21 3.224 3.224 3.419 -0.195 18431 6896 1 16 . 1 1 21 21 VAL CA C 21 66.801 66.801 66.848 -0.047 18431 6897 1 16 . 1 1 21 21 VAL CB C 21 31.741 31.741 31.509 0.232 18431 6898 1 16 . 1 1 22 22 LYS HA H 22 3.435 3.435 3.805 -0.370 18431 6899 1 16 . 1 1 22 22 LYS CA C 22 60.282 60.282 59.370 0.912 18431 6900 1 16 . 1 1 22 22 LYS CB C 22 31.283 31.283 31.141 0.142 18431 6901 1 16 . 1 1 23 23 THR N N 23 116.224 116.224 118.014 -1.790 18431 6902 1 16 . 1 1 23 23 THR HA H 23 3.796 3.796 4.050 -0.254 18431 6903 1 16 . 1 1 23 23 THR CA C 23 66.591 66.591 67.130 -0.539 18431 6904 1 16 . 1 1 23 23 THR CB C 23 68.361 68.361 68.859 -0.498 18431 6905 1 16 . 1 1 23 23 THR H H 23 7.391 7.391 7.201 0.190 18431 6906 1 16 . 1 1 24 24 LEU HA H 24 4.022 4.022 4.293 -0.271 18431 6907 1 16 . 1 1 24 24 LEU CA C 24 57.911 57.911 58.129 -0.218 18431 6908 1 16 . 1 1 24 24 LEU CB C 24 42.110 42.110 41.129 0.981 18431 6909 1 16 . 1 1 24 24 LEU H H 24 7.699 7.699 8.488 -0.789 18431 6910 1 16 . 1 1 25 25 LEU N N 25 118.389 118.389 120.381 -1.992 18431 6911 1 16 . 1 1 25 25 LEU HA H 25 4.135 4.135 4.223 -0.088 18431 6912 1 16 . 1 1 25 25 LEU CA C 25 57.864 57.864 58.218 -0.353 18431 6913 1 16 . 1 1 25 25 LEU CB C 25 42.653 42.653 41.753 0.900 18431 6914 1 16 . 1 1 25 25 LEU H H 25 8.331 8.331 8.137 0.194 18431 6915 1 16 . 1 1 26 26 LYS N N 26 118.433 118.433 119.019 -0.586 18431 6916 1 16 . 1 1 26 26 LYS HA H 26 3.833 3.833 3.958 -0.125 18431 6917 1 16 . 1 1 26 26 LYS CA C 26 60.095 60.095 59.059 1.036 18431 6918 1 16 . 1 1 26 26 LYS CB C 26 31.623 31.623 32.322 -0.699 18431 6919 1 16 . 1 1 26 26 LYS H H 26 8.464 8.464 8.242 0.222 18431 6920 1 16 . 1 1 27 27 GLU N N 27 120.838 120.838 119.870 0.968 18431 6921 1 16 . 1 1 27 27 GLU HA H 27 3.945 3.945 4.235 -0.290 18431 6922 1 16 . 1 1 27 27 GLU CA C 27 59.509 59.509 58.651 0.858 18431 6923 1 16 . 1 1 27 27 GLU CB C 27 29.199 29.199 29.787 -0.588 18431 6924 1 16 . 1 1 27 27 GLU H H 27 8.246 8.246 8.526 -0.280 18431 6925 1 16 . 1 1 28 28 TRP N N 28 122.200 122.200 121.170 1.030 18431 6926 1 16 . 1 1 28 28 TRP HA H 28 4.597 4.597 4.608 -0.011 18431 6927 1 16 . 1 1 28 28 TRP CA C 28 59.443 59.443 60.779 -1.336 18431 6928 1 16 . 1 1 28 28 TRP CB C 28 29.083 29.083 29.519 -0.436 18431 6929 1 16 . 1 1 28 28 TRP H H 28 8.143 8.143 8.371 -0.229 18431 6930 1 16 . 1 1 29 29 ILE N N 29 114.954 114.954 116.828 -1.874 18431 6931 1 16 . 1 1 29 29 ILE HA H 29 2.742 2.742 3.436 -0.694 18431 6932 1 16 . 1 1 29 29 ILE CA C 29 62.759 62.759 62.342 0.417 18431 6933 1 16 . 1 1 29 29 ILE CB C 29 37.992 37.992 38.133 -0.141 18431 6934 1 16 . 1 1 29 29 ILE H H 29 7.999 7.999 7.236 0.763 18431 6935 1 16 . 1 1 30 30 THR N N 30 106.869 106.869 112.980 -6.111 18431 6936 1 16 . 1 1 30 30 THR HA H 30 4.117 4.117 4.188 -0.071 18431 6937 1 16 . 1 1 30 30 THR CA C 30 63.447 63.447 64.144 -0.697 18431 6938 1 16 . 1 1 30 30 THR CB C 30 70.045 70.045 69.214 0.831 18431 6939 1 16 . 1 1 30 30 THR H H 30 7.622 7.622 7.613 0.009 18431 6940 1 16 . 1 1 31 31 THR N N 31 111.890 111.890 114.959 -3.069 18431 6941 1 16 . 1 1 31 31 THR HA H 31 4.503 4.503 4.125 0.378 18431 6942 1 16 . 1 1 31 31 THR CA C 31 63.231 63.231 64.552 -1.321 18431 6943 1 16 . 1 1 31 31 THR CB C 31 70.556 70.556 69.013 1.543 18431 6944 1 16 . 1 1 31 31 THR H H 31 7.588 7.588 8.147 -0.559 18431 6945 1 16 . 1 1 32 32 ILE N N 32 123.663 123.663 122.794 0.869 18431 6946 1 16 . 1 1 32 32 ILE HA H 32 4.499 4.499 4.300 0.199 18431 6947 1 16 . 1 1 32 32 ILE CA C 32 59.426 59.426 60.253 -0.827 18431 6948 1 16 . 1 1 32 32 ILE CB C 32 37.378 37.378 38.102 -0.724 18431 6949 1 16 . 1 1 32 32 ILE H H 32 7.929 7.929 7.516 0.413 18431 6950 1 16 . 1 1 33 33 SER N N 33 119.544 119.544 120.162 -0.618 18431 6951 1 16 . 1 1 33 33 SER HA H 33 4.523 4.523 4.838 -0.315 18431 6952 1 16 . 1 1 33 33 SER CA C 33 59.189 59.189 57.094 2.095 18431 6953 1 16 . 1 1 33 33 SER CB C 33 63.838 63.838 65.131 -1.293 18431 6954 1 16 . 1 1 33 33 SER H H 33 8.418 8.418 8.283 0.135 18431 6955 1 16 . 1 1 34 34 ASP HA H 34 4.821 4.821 3.973 0.848 18431 6956 1 16 . 1 1 34 34 ASP CA C 34 51.168 51.168 53.661 -2.493 18431 6957 1 16 . 1 1 34 34 ASP CB C 34 41.139 41.139 40.950 0.189 18431 6958 1 16 . 1 1 34 34 ASP H H 34 7.730 7.730 8.662 -0.932 18431 6959 1 16 . 1 1 35 35 PRO HA H 35 4.167 4.167 4.407 -0.240 18431 6960 1 16 . 1 1 35 35 PRO CA C 35 62.085 62.085 62.918 -0.833 18431 6961 1 16 . 1 1 35 35 PRO CB C 35 31.767 31.767 32.610 -0.843 18431 6962 1 16 . 1 1 36 36 MET N N 36 121.309 121.309 116.788 4.521 18431 6963 1 16 . 1 1 36 36 MET HA H 36 4.565 4.565 4.835 -0.270 18431 6964 1 16 . 1 1 36 36 MET CA C 36 53.867 53.867 53.094 0.773 18431 6965 1 16 . 1 1 36 36 MET CB C 36 32.411 32.411 35.235 -2.824 18431 6966 1 16 . 1 1 36 36 MET H H 36 9.165 9.165 8.099 1.066 18431 6967 1 16 . 1 1 37 37 GLU N N 37 125.284 125.284 120.856 4.428 18431 6968 1 16 . 1 1 37 37 GLU HA H 37 3.744 3.744 3.905 -0.161 18431 6969 1 16 . 1 1 37 37 GLU CA C 37 60.307 60.307 59.838 0.469 18431 6970 1 16 . 1 1 37 37 GLU CB C 37 29.448 29.448 28.818 0.630 18431 6971 1 16 . 1 1 37 37 GLU H H 37 9.034 9.034 8.888 0.146 18431 6972 1 16 . 1 1 38 38 GLU N N 38 116.000 116.000 118.080 -2.080 18431 6973 1 16 . 1 1 38 38 GLU HA H 38 4.003 4.003 4.060 -0.057 18431 6974 1 16 . 1 1 38 38 GLU CA C 38 59.588 59.588 59.029 0.559 18431 6975 1 16 . 1 1 38 38 GLU CB C 38 29.280 29.280 28.864 0.416 18431 6976 1 16 . 1 1 38 38 GLU H H 38 9.356 9.356 8.896 0.460 18431 6977 1 16 . 1 1 39 39 ASP N N 39 118.974 118.974 120.943 -1.969 18431 6978 1 16 . 1 1 39 39 ASP HA H 39 4.493 4.493 4.490 0.003 18431 6979 1 16 . 1 1 39 39 ASP CA C 39 57.231 57.231 57.705 -0.474 18431 6980 1 16 . 1 1 39 39 ASP CB C 39 41.226 41.226 41.077 0.149 18431 6981 1 16 . 1 1 39 39 ASP H H 39 7.169 7.169 8.127 -0.958 18431 6982 1 16 . 1 1 40 40 ILE N N 40 120.269 120.269 120.291 -0.022 18431 6983 1 16 . 1 1 40 40 ILE HA H 40 3.845 3.845 3.916 -0.071 18431 6984 1 16 . 1 1 40 40 ILE CA C 40 65.345 65.345 65.341 0.004 18431 6985 1 16 . 1 1 40 40 ILE CB C 40 37.500 37.500 37.984 -0.484 18431 6986 1 16 . 1 1 40 40 ILE H H 40 7.766 7.766 7.585 0.181 18431 6987 1 16 . 1 1 41 41 LEU N N 41 118.715 118.715 118.933 -0.218 18431 6988 1 16 . 1 1 41 41 LEU HA H 41 4.131 4.131 4.128 0.003 18431 6989 1 16 . 1 1 41 41 LEU CA C 41 57.835 57.835 57.822 0.013 18431 6990 1 16 . 1 1 41 41 LEU CB C 41 40.819 40.819 41.410 -0.591 18431 6991 1 16 . 1 1 41 41 LEU H H 41 8.726 8.726 8.527 0.199 18431 6992 1 16 . 1 1 42 42 GLN N N 42 119.539 119.539 118.742 0.797 18431 6993 1 16 . 1 1 42 42 GLN HA H 42 4.177 4.177 4.086 0.091 18431 6994 1 16 . 1 1 42 42 GLN CA C 42 59.241 59.241 58.847 0.394 18431 6995 1 16 . 1 1 42 42 GLN CB C 42 28.518 28.518 28.304 0.214 18431 6996 1 16 . 1 1 42 42 GLN H H 42 7.768 7.768 7.395 0.373 18431 6997 1 16 . 1 1 43 43 VAL N N 43 121.194 121.194 115.819 5.375 18431 6998 1 16 . 1 1 43 43 VAL HA H 43 3.787 3.787 3.783 0.004 18431 6999 1 16 . 1 1 43 43 VAL CA C 43 66.760 66.760 66.056 0.704 18431 7000 1 16 . 1 1 43 43 VAL CB C 43 31.423 31.423 31.158 0.265 18431 7001 1 16 . 1 1 43 43 VAL H H 43 7.712 7.712 7.635 0.077 18431 7002 1 16 . 1 1 44 44 VAL N N 44 120.876 120.876 120.412 0.464 18431 7003 1 16 . 1 1 44 44 VAL HA H 44 3.422 3.422 3.763 -0.341 18431 7004 1 16 . 1 1 44 44 VAL CA C 44 67.910 67.910 66.293 1.617 18431 7005 1 16 . 1 1 44 44 VAL CB C 44 31.392 31.392 31.018 0.374 18431 7006 1 16 . 1 1 44 44 VAL H H 44 8.232 8.232 7.480 0.752 18431 7007 1 16 . 1 1 45 45 ARG N N 45 120.934 120.934 119.763 1.171 18431 7008 1 16 . 1 1 45 45 ARG HA H 45 4.148 4.148 4.100 0.048 18431 7009 1 16 . 1 1 45 45 ARG CA C 45 58.593 58.593 58.775 -0.182 18431 7010 1 16 . 1 1 45 45 ARG CB C 45 29.608 29.608 29.283 0.325 18431 7011 1 16 . 1 1 45 45 ARG H H 45 8.489 8.489 7.712 0.777 18431 7012 1 16 . 1 1 46 46 TYR N N 46 120.548 120.548 121.521 -0.973 18431 7013 1 16 . 1 1 46 46 TYR HA H 46 4.547 4.547 4.265 0.282 18431 7014 1 16 . 1 1 46 46 TYR CA C 46 60.926 60.926 60.608 0.318 18431 7015 1 16 . 1 1 46 46 TYR CB C 46 38.447 38.447 38.023 0.424 18431 7016 1 16 . 1 1 46 46 TYR H H 46 7.870 7.870 7.822 0.048 18431 7017 1 16 . 1 1 47 47 CYS N N 47 115.132 115.132 117.623 -2.491 18431 7018 1 16 . 1 1 47 47 CYS HA H 47 3.738 3.738 3.620 0.118 18431 7019 1 16 . 1 1 47 47 CYS CA C 47 64.313 64.313 62.515 1.798 18431 7020 1 16 . 1 1 47 47 CYS CB C 47 27.744 27.744 26.404 1.340 18431 7021 1 16 . 1 1 47 47 CYS H H 47 8.109 8.109 7.707 0.402 18431 7022 1 16 . 1 1 48 48 THR N N 48 114.153 114.153 117.379 -3.226 18431 7023 1 16 . 1 1 48 48 THR HA H 48 3.877 3.877 3.941 -0.064 18431 7024 1 16 . 1 1 48 48 THR CA C 48 66.755 66.755 67.571 -0.816 18431 7025 1 16 . 1 1 48 48 THR CB C 48 67.593 67.593 68.308 -0.715 18431 7026 1 16 . 1 1 48 48 THR H H 48 8.776 8.776 8.388 0.388 18431 7027 1 16 . 1 1 49 49 ASP N N 49 126.528 126.528 121.055 5.473 18431 7028 1 16 . 1 1 49 49 ASP HA H 49 4.425 4.425 4.439 -0.014 18431 7029 1 16 . 1 1 49 49 ASP CA C 49 57.688 57.688 57.005 0.682 18431 7030 1 16 . 1 1 49 49 ASP CB C 49 39.249 39.249 40.328 -1.079 18431 7031 1 16 . 1 1 49 49 ASP H H 49 8.697 8.697 8.383 0.314 18431 7032 1 16 . 1 1 50 50 LEU HA H 50 3.924 3.924 4.326 -0.402 18431 7033 1 16 . 1 1 50 50 LEU CA C 50 58.157 58.157 57.626 0.531 18431 7034 1 16 . 1 1 50 50 LEU CB C 50 41.408 41.408 42.098 -0.690 18431 7035 1 16 . 1 1 51 51 ILE N N 51 118.832 118.832 117.621 1.211 18431 7036 1 16 . 1 1 51 51 ILE HA H 51 3.417 3.417 3.707 -0.290 18431 7037 1 16 . 1 1 51 51 ILE CA C 51 66.261 66.261 64.873 1.388 18431 7038 1 16 . 1 1 51 51 ILE CB C 51 37.691 37.691 37.503 0.188 18431 7039 1 16 . 1 1 51 51 ILE H H 51 7.639 7.639 7.496 0.143 18431 7040 1 16 . 1 1 52 52 GLU N N 52 123.247 123.247 119.459 3.788 18431 7041 1 16 . 1 1 52 52 GLU HA H 52 4.001 4.001 4.170 -0.169 18431 7042 1 16 . 1 1 52 52 GLU CA C 52 59.592 59.592 58.667 0.925 18431 7043 1 16 . 1 1 52 52 GLU CB C 52 29.068 29.068 29.068 0.000 18431 7044 1 16 . 1 1 52 52 GLU H H 52 8.506 8.506 7.960 0.546 18431 7045 1 16 . 1 1 53 53 GLU N N 53 116.384 116.384 116.386 -0.002 18431 7046 1 16 . 1 1 53 53 GLU HA H 53 4.294 4.294 4.453 -0.159 18431 7047 1 16 . 1 1 53 53 GLU CA C 53 55.907 55.907 55.805 0.102 18431 7048 1 16 . 1 1 53 53 GLU CB C 53 29.710 29.710 29.712 -0.002 18431 7049 1 16 . 1 1 53 53 GLU H H 53 7.716 7.716 7.581 0.135 18431 7050 1 16 . 1 1 54 54 LYS N N 54 116.934 116.934 114.349 2.585 18431 7051 1 16 . 1 1 54 54 LYS HA H 54 3.662 3.662 3.987 -0.325 18431 7052 1 16 . 1 1 54 54 LYS CA C 54 57.278 57.278 58.128 -0.850 18431 7053 1 16 . 1 1 54 54 LYS CB C 54 29.785 29.785 30.145 -0.360 18431 7054 1 16 . 1 1 54 54 LYS H H 54 8.089 8.089 7.537 0.552 18431 7055 1 16 . 1 1 55 55 ASP N N 55 122.549 122.549 118.740 3.809 18431 7056 1 16 . 1 1 55 55 ASP HA H 55 5.058 5.058 4.841 0.217 18431 7057 1 16 . 1 1 55 55 ASP CA C 55 51.306 51.306 53.988 -2.682 18431 7058 1 16 . 1 1 55 55 ASP CB C 55 38.856 38.856 40.110 -1.254 18431 7059 1 16 . 1 1 55 55 ASP H H 55 8.497 8.497 8.363 0.134 18431 7060 1 16 . 1 1 56 56 LEU N N 56 119.627 119.627 117.877 1.750 18431 7061 1 16 . 1 1 56 56 LEU HA H 56 3.901 3.901 4.208 -0.307 18431 7062 1 16 . 1 1 56 56 LEU CA C 56 56.528 56.528 55.875 0.653 18431 7063 1 16 . 1 1 56 56 LEU CB C 56 40.034 40.034 40.121 -0.087 18431 7064 1 16 . 1 1 56 56 LEU H H 56 7.578 7.578 7.921 -0.343 18431 7065 1 16 . 1 1 57 57 GLU N N 57 121.433 121.433 120.596 0.837 18431 7066 1 16 . 1 1 57 57 GLU HA H 57 4.041 4.041 3.841 0.200 18431 7067 1 16 . 1 1 57 57 GLU CA C 57 59.321 59.321 59.663 -0.342 18431 7068 1 16 . 1 1 57 57 GLU CB C 57 29.229 29.229 28.931 0.298 18431 7069 1 16 . 1 1 57 57 GLU H H 57 8.614 8.614 8.442 0.172 18431 7070 1 16 . 1 1 58 58 LYS N N 58 119.832 119.832 117.789 2.043 18431 7071 1 16 . 1 1 58 58 LYS HA H 58 3.760 3.760 3.901 -0.141 18431 7072 1 16 . 1 1 58 58 LYS CA C 58 59.273 59.273 59.127 0.146 18431 7073 1 16 . 1 1 58 58 LYS CB C 58 32.370 32.370 32.414 -0.044 18431 7074 1 16 . 1 1 58 58 LYS H H 58 7.527 7.527 7.391 0.136 18431 7075 1 16 . 1 1 59 59 LEU N N 59 117.844 117.844 121.593 -3.749 18431 7076 1 16 . 1 1 59 59 LEU HA H 59 3.912 3.912 3.942 -0.030 18431 7077 1 16 . 1 1 59 59 LEU CA C 59 57.865 57.865 57.858 0.007 18431 7078 1 16 . 1 1 59 59 LEU CB C 59 41.382 41.382 41.527 -0.145 18431 7079 1 16 . 1 1 59 59 LEU H H 59 7.570 7.570 7.628 -0.058 18431 7080 1 16 . 1 1 60 60 ASP N N 60 117.630 117.630 118.492 -0.862 18431 7081 1 16 . 1 1 60 60 ASP HA H 60 4.273 4.273 4.282 -0.009 18431 7082 1 16 . 1 1 60 60 ASP CA C 60 57.695 57.695 57.461 0.234 18431 7083 1 16 . 1 1 60 60 ASP CB C 60 42.074 42.074 40.808 1.266 18431 7084 1 16 . 1 1 60 60 ASP H H 60 7.849 7.849 8.061 -0.212 18431 7085 1 16 . 1 1 61 61 LEU N N 61 116.500 116.500 118.127 -1.627 18431 7086 1 16 . 1 1 61 61 LEU HA H 61 3.924 3.924 4.109 -0.185 18431 7087 1 16 . 1 1 61 61 LEU CA C 61 57.886 57.886 56.954 0.932 18431 7088 1 16 . 1 1 61 61 LEU CB C 61 41.825 41.825 41.722 0.103 18431 7089 1 16 . 1 1 61 61 LEU H H 61 7.484 7.484 7.339 0.145 18431 7090 1 16 . 1 1 62 62 VAL N N 62 120.681 120.681 120.108 0.573 18431 7091 1 16 . 1 1 62 62 VAL HA H 62 3.963 3.963 3.926 0.037 18431 7092 1 16 . 1 1 62 62 VAL CA C 62 66.843 66.843 66.513 0.331 18431 7093 1 16 . 1 1 62 62 VAL CB C 62 31.954 31.954 31.771 0.183 18431 7094 1 16 . 1 1 62 62 VAL H H 62 8.682 8.682 7.274 1.408 18431 7095 1 16 . 1 1 63 63 ILE N N 63 122.448 122.448 119.026 3.422 18431 7096 1 16 . 1 1 63 63 ILE HA H 63 3.995 3.995 3.842 0.153 18431 7097 1 16 . 1 1 63 63 ILE CA C 63 63.777 63.777 64.870 -1.093 18431 7098 1 16 . 1 1 63 63 ILE CB C 63 35.707 35.707 36.448 -0.741 18431 7099 1 16 . 1 1 63 63 ILE H H 63 8.824 8.824 8.402 0.422 18431 7100 1 16 . 1 1 64 64 LYS N N 64 118.898 118.898 118.762 0.136 18431 7101 1 16 . 1 1 64 64 LYS HA H 64 3.889 3.889 4.147 -0.258 18431 7102 1 16 . 1 1 64 64 LYS CA C 64 60.416 60.416 59.097 1.319 18431 7103 1 16 . 1 1 64 64 LYS CB C 64 32.563 32.563 31.736 0.827 18431 7104 1 16 . 1 1 64 64 LYS H H 64 8.368 8.368 8.025 0.343 18431 7105 1 16 . 1 1 65 65 TYR N N 65 121.217 121.217 121.690 -0.473 18431 7106 1 16 . 1 1 65 65 TYR HA H 65 4.330 4.330 4.364 -0.034 18431 7107 1 16 . 1 1 65 65 TYR CA C 65 61.779 61.779 60.913 0.866 18431 7108 1 16 . 1 1 65 65 TYR CB C 65 38.898 38.898 38.669 0.229 18431 7109 1 16 . 1 1 65 65 TYR H H 65 8.200 8.200 7.437 0.763 18431 7110 1 16 . 1 1 66 66 MET N N 66 116.741 116.741 118.836 -2.095 18431 7111 1 16 . 1 1 66 66 MET HA H 66 3.682 3.682 3.976 -0.294 18431 7112 1 16 . 1 1 66 66 MET CA C 66 60.444 60.444 59.470 0.974 18431 7113 1 16 . 1 1 66 66 MET CB C 66 33.627 33.627 33.443 0.184 18431 7114 1 16 . 1 1 66 66 MET H H 66 8.681 8.681 8.812 -0.131 18431 7115 1 16 . 1 1 67 67 LYS N N 67 119.826 119.826 118.164 1.662 18431 7116 1 16 . 1 1 67 67 LYS HA H 67 2.637 2.637 3.133 -0.496 18431 7117 1 16 . 1 1 67 67 LYS CA C 67 59.949 59.949 59.040 0.909 18431 7118 1 16 . 1 1 67 67 LYS CB C 67 32.596 32.596 31.827 0.769 18431 7119 1 16 . 1 1 67 67 LYS H H 67 8.563 8.563 8.155 0.408 18431 7120 1 16 . 1 1 68 68 ARG N N 68 116.343 116.343 117.502 -1.159 18431 7121 1 16 . 1 1 68 68 ARG HA H 68 3.859 3.859 4.181 -0.322 18431 7122 1 16 . 1 1 68 68 ARG CA C 68 58.254 58.254 58.073 0.181 18431 7123 1 16 . 1 1 68 68 ARG CB C 68 29.605 29.605 29.899 -0.294 18431 7124 1 16 . 1 1 68 68 ARG H H 68 7.117 7.117 7.427 -0.310 18431 7125 1 16 . 1 1 69 69 LEU N N 69 116.573 116.573 121.604 -5.031 18431 7126 1 16 . 1 1 69 69 LEU HA H 69 3.847 3.847 4.100 -0.253 18431 7127 1 16 . 1 1 69 69 LEU CA C 69 56.861 56.861 56.896 -0.035 18431 7128 1 16 . 1 1 69 69 LEU CB C 69 42.950 42.950 42.014 0.936 18431 7129 1 16 . 1 1 69 69 LEU H H 69 7.360 7.360 7.414 -0.054 18431 7130 1 16 . 1 1 70 70 MET N N 70 115.874 115.874 117.061 -1.187 18431 7131 1 16 . 1 1 70 70 MET HA H 70 3.823 3.823 3.820 0.003 18431 7132 1 16 . 1 1 70 70 MET CA C 70 59.195 59.195 58.047 1.147 18431 7133 1 16 . 1 1 70 70 MET CB C 70 32.315 32.315 31.717 0.598 18431 7134 1 16 . 1 1 70 70 MET H H 70 8.769 8.769 8.292 0.477 18431 7135 1 16 . 1 1 71 71 GLN N N 71 114.286 114.286 117.403 -3.117 18431 7136 1 16 . 1 1 71 71 GLN HA H 71 4.416 4.416 3.956 0.460 18431 7137 1 16 . 1 1 71 71 GLN CA C 71 56.527 56.527 58.386 -1.859 18431 7138 1 16 . 1 1 71 71 GLN CB C 71 27.446 27.446 28.573 -1.127 18431 7139 1 16 . 1 1 71 71 GLN H H 71 7.522 7.522 7.651 -0.129 18431 7140 1 16 . 1 1 72 72 GLN N N 72 117.645 117.645 115.757 1.888 18431 7141 1 16 . 1 1 72 72 GLN HA H 72 4.198 4.198 4.071 0.127 18431 7142 1 16 . 1 1 72 72 GLN CA C 72 56.549 56.549 56.629 -0.080 18431 7143 1 16 . 1 1 72 72 GLN CB C 72 28.824 28.824 28.571 0.253 18431 7144 1 16 . 1 1 72 72 GLN H H 72 7.279 7.279 7.551 -0.272 18431 7145 1 16 . 1 1 73 73 SER N N 73 113.600 113.600 114.598 -0.998 18431 7146 1 16 . 1 1 73 73 SER HA H 73 4.504 4.504 4.411 0.093 18431 7147 1 16 . 1 1 73 73 SER CA C 73 57.600 57.600 57.502 0.097 18431 7148 1 16 . 1 1 73 73 SER CB C 73 63.542 63.542 64.545 -1.003 18431 7149 1 16 . 1 1 73 73 SER H H 73 7.588 7.588 7.363 0.225 18431 7150 1 16 . 1 1 74 74 VAL N N 74 121.652 121.652 116.595 5.057 18431 7151 1 16 . 1 1 74 74 VAL HA H 74 4.136 4.136 4.298 -0.162 18431 7152 1 16 . 1 1 74 74 VAL CA C 74 62.985 62.985 62.107 0.878 18431 7153 1 16 . 1 1 74 74 VAL CB C 74 31.797 31.797 32.487 -0.690 18431 7154 1 16 . 1 1 74 74 VAL H H 74 8.300 8.300 8.143 0.157 18431 7155 1 16 . 1 1 75 75 GLU N N 75 120.481 120.481 122.080 -1.599 18431 7156 1 16 . 1 1 75 75 GLU HA H 75 4.415 4.415 4.272 0.143 18431 7157 1 16 . 1 1 75 75 GLU CA C 75 56.061 56.061 56.527 -0.466 18431 7158 1 16 . 1 1 75 75 GLU CB C 75 29.153 29.153 29.635 -0.482 18431 7159 1 16 . 1 1 75 75 GLU H H 75 8.486 8.486 7.984 0.502 18431 7160 1 16 . 1 1 76 76 SER HA H 76 4.498 4.498 4.193 0.305 18431 7161 1 16 . 1 1 76 76 SER CA C 76 59.426 59.426 61.874 -2.448 18431 7162 1 16 . 1 1 76 76 SER CB C 76 64.071 64.071 63.093 0.978 18431 7163 1 16 . 1 1 76 76 SER H H 76 8.142 8.142 8.943 -0.801 18431 7164 1 16 . 1 1 77 77 VAL N N 77 122.712 122.712 121.661 1.051 18431 7165 1 16 . 1 1 77 77 VAL HA H 77 4.036 4.036 3.761 0.275 18431 7166 1 16 . 1 1 77 77 VAL CA C 77 64.600 64.600 65.958 -1.358 18431 7167 1 16 . 1 1 77 77 VAL CB C 77 30.843 30.843 31.698 -0.855 18431 7168 1 16 . 1 1 77 77 VAL H H 77 8.750 8.750 7.945 0.805 18431 7169 1 16 . 1 1 78 78 TRP N N 78 121.247 121.247 119.515 1.732 18431 7170 1 16 . 1 1 78 78 TRP HA H 78 4.507 4.507 4.344 0.163 18431 7171 1 16 . 1 1 78 78 TRP CA C 78 59.753 59.753 61.003 -1.250 18431 7172 1 16 . 1 1 78 78 TRP CB C 78 29.332 29.332 29.434 -0.102 18431 7173 1 16 . 1 1 78 78 TRP H H 78 7.837 7.837 7.686 0.151 18431 7174 1 16 . 1 1 79 79 ASN N N 79 119.032 119.032 118.271 0.761 18431 7175 1 16 . 1 1 79 79 ASN HA H 79 4.382 4.382 4.586 -0.204 18431 7176 1 16 . 1 1 79 79 ASN CA C 79 57.406 57.406 56.589 0.817 18431 7177 1 16 . 1 1 79 79 ASN CB C 79 38.813 38.813 38.475 0.338 18431 7178 1 16 . 1 1 79 79 ASN H H 79 7.856 7.856 7.956 -0.100 18431 7179 1 16 . 1 1 80 80 MET N N 80 117.280 117.280 118.496 -1.216 18431 7180 1 16 . 1 1 80 80 MET HA H 80 4.383 4.383 4.348 0.035 18431 7181 1 16 . 1 1 80 80 MET CA C 80 58.111 58.111 58.079 0.032 18431 7182 1 16 . 1 1 80 80 MET CB C 80 32.350 32.350 31.873 0.477 18431 7183 1 16 . 1 1 80 80 MET H H 80 7.765 7.765 8.587 -0.822 18431 7184 1 16 . 1 1 81 81 ALA N N 81 123.582 123.582 122.773 0.809 18431 7185 1 16 . 1 1 81 81 ALA HA H 81 4.220 4.220 4.138 0.082 18431 7186 1 16 . 1 1 81 81 ALA CA C 81 54.997 54.997 55.180 -0.183 18431 7187 1 16 . 1 1 81 81 ALA CB C 81 17.615 17.615 17.948 -0.333 18431 7188 1 16 . 1 1 81 81 ALA H H 81 8.019 8.019 7.888 0.131 18431 7189 1 16 . 1 1 82 82 PHE N N 82 117.853 117.853 119.536 -1.683 18431 7190 1 16 . 1 1 82 82 PHE HA H 82 4.201 4.201 4.280 -0.079 18431 7191 1 16 . 1 1 82 82 PHE CA C 82 62.679 62.679 60.339 2.340 18431 7192 1 16 . 1 1 82 82 PHE CB C 82 38.078 38.078 38.964 -0.886 18431 7193 1 16 . 1 1 82 82 PHE H H 82 8.455 8.455 8.281 0.174 18431 7194 1 16 . 1 1 83 83 ASP N N 83 118.244 118.244 119.869 -1.625 18431 7195 1 16 . 1 1 83 83 ASP HA H 83 4.250 4.250 3.987 0.263 18431 7196 1 16 . 1 1 83 83 ASP CA C 83 57.602 57.602 57.235 0.367 18431 7197 1 16 . 1 1 83 83 ASP CB C 83 40.117 40.117 40.569 -0.452 18431 7198 1 16 . 1 1 83 83 ASP H H 83 7.615 7.615 7.943 -0.328 18431 7199 1 16 . 1 1 84 84 PHE N N 84 120.090 120.090 120.131 -0.041 18431 7200 1 16 . 1 1 84 84 PHE HA H 84 4.319 4.319 4.257 0.062 18431 7201 1 16 . 1 1 84 84 PHE CA C 84 61.110 61.110 61.242 -0.132 18431 7202 1 16 . 1 1 84 84 PHE CB C 84 39.225 39.225 39.533 -0.308 18431 7203 1 16 . 1 1 84 84 PHE H H 84 7.849 7.849 7.547 0.302 18431 7204 1 16 . 1 1 85 85 ILE N N 85 122.915 122.915 120.278 2.637 18431 7205 1 16 . 1 1 85 85 ILE HA H 85 3.372 3.372 3.589 -0.217 18431 7206 1 16 . 1 1 85 85 ILE CA C 85 65.864 65.864 66.034 -0.170 18431 7207 1 16 . 1 1 85 85 ILE CB C 85 38.422 38.422 38.100 0.322 18431 7208 1 16 . 1 1 85 85 ILE H H 85 8.687 8.687 8.595 0.092 18431 7209 1 16 . 1 1 86 86 LEU N N 86 119.481 119.481 118.071 1.410 18431 7210 1 16 . 1 1 86 86 LEU HA H 86 3.715 3.715 3.893 -0.178 18431 7211 1 16 . 1 1 86 86 LEU CA C 86 57.875 57.875 58.364 -0.489 18431 7212 1 16 . 1 1 86 86 LEU CB C 86 40.602 40.602 40.607 -0.005 18431 7213 1 16 . 1 1 86 86 LEU H H 86 8.682 8.682 8.244 0.438 18431 7214 1 16 . 1 1 87 87 ASP N N 87 118.290 118.290 118.808 -0.518 18431 7215 1 16 . 1 1 87 87 ASP HA H 87 4.255 4.255 4.216 0.039 18431 7216 1 16 . 1 1 87 87 ASP CA C 87 57.604 57.604 57.100 0.504 18431 7217 1 16 . 1 1 87 87 ASP CB C 87 40.580 40.580 40.469 0.111 18431 7218 1 16 . 1 1 87 87 ASP H H 87 8.301 8.301 7.814 0.487 18431 7219 1 16 . 1 1 88 88 ASN N N 88 115.606 115.606 117.895 -2.289 18431 7220 1 16 . 1 1 88 88 ASN HA H 88 4.139 4.139 4.353 -0.214 18431 7221 1 16 . 1 1 88 88 ASN CA C 88 57.067 57.067 56.226 0.841 18431 7222 1 16 . 1 1 88 88 ASN CB C 88 39.734 39.734 38.947 0.787 18431 7223 1 16 . 1 1 88 88 ASN H H 88 7.421 7.421 7.578 -0.157 18431 7224 1 16 . 1 1 89 89 VAL N N 89 120.092 120.092 117.158 2.934 18431 7225 1 16 . 1 1 89 89 VAL HA H 89 3.421 3.421 3.789 -0.368 18431 7226 1 16 . 1 1 89 89 VAL CA C 89 66.777 66.777 65.686 1.091 18431 7227 1 16 . 1 1 89 89 VAL CB C 89 31.592 31.592 31.622 -0.030 18431 7228 1 16 . 1 1 89 89 VAL H H 89 8.367 8.367 7.814 0.553 18431 7229 1 16 . 1 1 90 90 GLN N N 90 118.315 118.315 118.126 0.189 18431 7230 1 16 . 1 1 90 90 GLN HA H 90 4.427 4.427 4.098 0.329 18431 7231 1 16 . 1 1 90 90 GLN CA C 90 58.918 58.918 58.306 0.612 18431 7232 1 16 . 1 1 90 90 GLN CB C 90 28.471 28.471 28.680 -0.209 18431 7233 1 16 . 1 1 90 90 GLN H H 90 8.780 8.780 8.115 0.665 18431 7234 1 16 . 1 1 91 91 VAL N N 91 118.757 118.757 120.635 -1.878 18431 7235 1 16 . 1 1 91 91 VAL HA H 91 3.720 3.720 3.687 0.033 18431 7236 1 16 . 1 1 91 91 VAL CA C 91 66.303 66.303 66.164 0.139 18431 7237 1 16 . 1 1 91 91 VAL CB C 91 31.641 31.641 31.635 0.006 18431 7238 1 16 . 1 1 91 91 VAL H H 91 7.640 7.640 7.791 -0.151 18431 7239 1 16 . 1 1 92 92 VAL N N 92 120.289 120.289 119.745 0.544 18431 7240 1 16 . 1 1 92 92 VAL HA H 92 3.728 3.728 3.640 0.088 18431 7241 1 16 . 1 1 92 92 VAL CA C 92 66.270 66.270 66.299 -0.029 18431 7242 1 16 . 1 1 92 92 VAL CB C 92 31.354 31.354 31.867 -0.513 18431 7243 1 16 . 1 1 92 92 VAL H H 92 7.382 7.382 7.718 -0.336 18431 7244 1 16 . 1 1 93 93 LEU N N 93 123.817 123.817 116.522 7.295 18431 7245 1 16 . 1 1 93 93 LEU HA H 93 4.038 4.038 4.252 -0.214 18431 7246 1 16 . 1 1 93 93 LEU CA C 93 58.777 58.777 57.764 1.013 18431 7247 1 16 . 1 1 93 93 LEU CB C 93 41.790 41.790 41.317 0.473 18431 7248 1 16 . 1 1 93 93 LEU H H 93 8.813 8.813 7.434 1.379 18431 7249 1 16 . 1 1 94 94 GLN N N 94 119.660 119.660 119.531 0.129 18431 7250 1 16 . 1 1 94 94 GLN HA H 94 3.990 3.990 4.281 -0.291 18431 7251 1 16 . 1 1 94 94 GLN CA C 94 58.977 58.977 58.558 0.419 18431 7252 1 16 . 1 1 94 94 GLN CB C 94 28.270 28.270 28.451 -0.181 18431 7253 1 16 . 1 1 94 94 GLN H H 94 8.469 8.469 7.792 0.677 18431 7254 1 16 . 1 1 95 95 GLN N N 95 117.593 117.593 116.881 0.712 18431 7255 1 16 . 1 1 95 95 GLN HA H 95 4.068 4.068 4.157 -0.089 18431 7256 1 16 . 1 1 95 95 GLN CA C 95 57.991 57.991 58.160 -0.169 18431 7257 1 16 . 1 1 95 95 GLN CB C 95 28.548 28.548 28.739 -0.191 18431 7258 1 16 . 1 1 95 95 GLN H H 95 8.088 8.088 7.618 0.470 18431 7259 1 16 . 1 1 96 96 THR N N 96 113.065 113.065 112.349 0.716 18431 7260 1 16 . 1 1 96 96 THR HA H 96 4.003 4.003 4.145 -0.142 18431 7261 1 16 . 1 1 96 96 THR CA C 96 64.857 64.857 64.002 0.855 18431 7262 1 16 . 1 1 96 96 THR CB C 96 69.618 69.618 69.403 0.215 18431 7263 1 16 . 1 1 96 96 THR H H 96 7.970 7.970 7.619 0.351 18431 7264 1 16 . 1 1 97 97 TYR N N 97 118.178 118.178 119.128 -0.950 18431 7265 1 16 . 1 1 97 97 TYR HA H 97 4.717 4.717 4.561 0.156 18431 7266 1 16 . 1 1 97 97 TYR CA C 97 58.312 58.312 59.377 -1.065 18431 7267 1 16 . 1 1 97 97 TYR CB C 97 40.223 40.223 39.895 0.328 18431 7268 1 16 . 1 1 97 97 TYR H H 97 8.438 8.438 8.238 0.200 18431 7269 1 16 . 1 1 98 98 GLY N N 98 109.735 109.735 105.061 4.674 18431 7270 1 16 . 1 1 98 98 GLY CA C 98 45.908 45.908 45.002 0.906 18431 7271 1 16 . 1 1 98 98 GLY H H 98 8.014 8.014 8.140 -0.126 18431 7272 1 16 . 1 1 99 99 SER N N 99 114.137 114.137 114.222 -0.085 18431 7273 1 16 . 1 1 99 99 SER HA H 99 4.642 4.642 4.819 -0.177 18431 7274 1 16 . 1 1 99 99 SER CA C 99 57.226 57.226 56.795 0.431 18431 7275 1 16 . 1 1 99 99 SER CB C 99 64.294 64.294 66.079 -1.785 18431 7276 1 16 . 1 1 99 99 SER H H 99 7.666 7.666 7.967 -0.301 18431 7277 1 16 . 1 1 100 100 THR N N 100 110.514 110.514 111.906 -1.392 18431 7278 1 16 . 1 1 100 100 THR HA H 100 4.424 4.424 4.495 -0.071 18431 7279 1 16 . 1 1 100 100 THR CA C 100 60.964 60.964 60.223 0.741 18431 7280 1 16 . 1 1 100 100 THR CB C 100 70.303 70.303 71.416 -1.113 18431 7281 1 16 . 1 1 100 100 THR H H 100 7.899 7.899 8.040 -0.141 18431 7282 1 16 . 1 1 101 101 LEU N N 101 124.047 124.047 121.218 2.829 18431 7283 1 16 . 1 1 101 101 LEU HA H 101 4.313 4.313 4.495 -0.182 18431 7284 1 16 . 1 1 101 101 LEU CA C 101 54.930 54.930 54.173 0.757 18431 7285 1 16 . 1 1 101 101 LEU CB C 101 42.501 42.501 43.056 -0.555 18431 7286 1 16 . 1 1 101 101 LEU H H 101 8.847 8.847 8.530 0.317 18431 7287 1 16 . 1 1 102 102 LYS N N 102 124.883 124.883 121.386 3.497 18431 7288 1 16 . 1 1 102 102 LYS HA H 102 4.415 4.415 4.337 0.078 18431 7289 1 16 . 1 1 102 102 LYS CA C 102 55.588 55.588 55.987 -0.399 18431 7290 1 16 . 1 1 102 102 LYS CB C 102 32.596 32.596 32.965 -0.369 18431 7291 1 16 . 1 1 102 102 LYS H H 102 8.578 8.578 8.328 0.250 18431 7292 1 16 . 1 1 103 103 VAL N N 103 122.753 122.753 126.859 -4.106 18431 7293 1 16 . 1 1 103 103 VAL HA H 103 4.237 4.237 4.396 -0.159 18431 7294 1 16 . 1 1 103 103 VAL CA C 103 61.956 61.956 60.791 1.165 18431 7295 1 16 . 1 1 103 103 VAL CB C 103 32.747 32.747 31.770 0.977 18431 7296 1 16 . 1 1 103 103 VAL H H 103 8.348 8.348 8.464 -0.116 18431 7297 1 17 . 1 1 9 9 ALA N N 9 123.345 123.345 125.710 -2.365 18431 7298 1 17 . 1 1 9 9 ALA HA H 9 4.549 4.549 5.244 -0.695 18431 7299 1 17 . 1 1 9 9 ALA CA C 9 50.151 50.151 50.975 -0.824 18431 7300 1 17 . 1 1 9 9 ALA CB C 9 18.185 18.185 18.601 -0.416 18431 7301 1 17 . 1 1 9 9 ALA H H 9 7.992 7.992 9.037 -1.045 18431 7302 1 17 . 1 1 10 10 PRO HA H 10 4.299 4.299 4.596 -0.297 18431 7303 1 17 . 1 1 10 10 PRO CA C 10 62.937 62.937 62.540 0.397 18431 7304 1 17 . 1 1 10 10 PRO CB C 10 31.902 31.902 32.395 -0.493 18431 7305 1 17 . 1 1 11 11 ASN N N 11 117.877 117.877 116.750 1.127 18431 7306 1 17 . 1 1 11 11 ASN HA H 11 4.646 4.646 4.811 -0.165 18431 7307 1 17 . 1 1 11 11 ASN CA C 11 53.077 53.077 52.714 0.363 18431 7308 1 17 . 1 1 11 11 ASN CB C 11 38.590 38.590 38.300 0.290 18431 7309 1 17 . 1 1 11 11 ASN H H 11 8.467 8.467 8.588 -0.121 18431 7310 1 17 . 1 1 12 12 LEU N N 12 122.874 122.874 120.349 2.525 18431 7311 1 17 . 1 1 12 12 LEU HA H 12 4.290 4.290 4.557 -0.267 18431 7312 1 17 . 1 1 12 12 LEU CA C 12 55.170 55.170 54.001 1.169 18431 7313 1 17 . 1 1 12 12 LEU CB C 12 42.131 42.131 43.753 -1.622 18431 7314 1 17 . 1 1 12 12 LEU H H 12 8.196 8.196 7.519 0.677 18431 7315 1 17 . 1 1 13 13 ALA N N 13 123.854 123.854 125.500 -1.646 18431 7316 1 17 . 1 1 13 13 ALA HA H 13 4.243 4.243 4.276 -0.033 18431 7317 1 17 . 1 1 13 13 ALA CA C 13 52.672 52.672 52.264 0.408 18431 7318 1 17 . 1 1 13 13 ALA CB C 13 18.923 18.923 19.169 -0.246 18431 7319 1 17 . 1 1 13 13 ALA H H 13 8.214 8.214 8.426 -0.212 18431 7320 1 17 . 1 1 14 14 GLY N N 14 107.993 107.993 106.166 1.827 18431 7321 1 17 . 1 1 14 14 GLY CA C 14 44.989 44.989 44.710 0.279 18431 7322 1 17 . 1 1 14 14 GLY H H 14 8.246 8.246 8.247 -0.001 18431 7323 1 17 . 1 1 15 15 ALA N N 15 123.594 123.594 120.533 3.061 18431 7324 1 17 . 1 1 15 15 ALA HA H 15 4.330 4.330 4.170 0.160 18431 7325 1 17 . 1 1 15 15 ALA CA C 15 52.147 52.147 52.613 -0.466 18431 7326 1 17 . 1 1 15 15 ALA CB C 15 18.941 18.941 18.122 0.819 18431 7327 1 17 . 1 1 15 15 ALA H H 15 8.017 8.017 7.594 0.423 18431 7328 1 17 . 1 1 16 16 VAL N N 16 119.010 119.010 114.521 4.489 18431 7329 1 17 . 1 1 16 16 VAL HA H 16 4.036 4.036 4.482 -0.446 18431 7330 1 17 . 1 1 16 16 VAL CA C 16 62.127 62.127 61.702 0.425 18431 7331 1 17 . 1 1 16 16 VAL CB C 16 32.727 32.727 33.159 -0.432 18431 7332 1 17 . 1 1 16 16 VAL H H 16 8.060 8.060 8.233 -0.173 18431 7333 1 17 . 1 1 17 17 GLU N N 17 124.211 124.211 118.472 5.739 18431 7334 1 17 . 1 1 17 17 GLU HA H 17 4.429 4.429 4.574 -0.145 18431 7335 1 17 . 1 1 17 17 GLU CA C 17 57.429 57.429 54.563 2.866 18431 7336 1 17 . 1 1 17 17 GLU CB C 17 29.421 29.421 31.347 -1.926 18431 7337 1 17 . 1 1 17 17 GLU H H 17 8.436 8.436 7.971 0.465 18431 7338 1 17 . 1 1 18 18 PHE HA H 18 4.291 4.291 4.387 -0.096 18431 7339 1 17 . 1 1 18 18 PHE CA C 18 60.955 60.955 60.854 0.101 18431 7340 1 17 . 1 1 18 18 PHE CB C 18 38.464 38.464 39.388 -0.924 18431 7341 1 17 . 1 1 19 19 SER N N 19 112.147 112.147 114.872 -2.725 18431 7342 1 17 . 1 1 19 19 SER HA H 19 3.659 3.659 3.875 -0.216 18431 7343 1 17 . 1 1 19 19 SER CA C 19 61.576 61.576 61.395 0.181 18431 7344 1 17 . 1 1 19 19 SER CB C 19 61.649 61.649 62.620 -0.971 18431 7345 1 17 . 1 1 19 19 SER H H 19 8.871 8.871 8.181 0.690 18431 7346 1 17 . 1 1 20 20 ASP N N 20 120.916 120.916 121.235 -0.319 18431 7347 1 17 . 1 1 20 20 ASP HA H 20 4.492 4.492 4.347 0.145 18431 7348 1 17 . 1 1 20 20 ASP CA C 20 56.696 56.696 56.384 0.312 18431 7349 1 17 . 1 1 20 20 ASP CB C 20 40.543 40.543 39.971 0.572 18431 7350 1 17 . 1 1 20 20 ASP H H 20 7.019 7.019 8.233 -1.214 18431 7351 1 17 . 1 1 21 21 VAL HA H 21 3.224 3.224 3.555 -0.331 18431 7352 1 17 . 1 1 21 21 VAL CA C 21 66.801 66.801 65.665 1.137 18431 7353 1 17 . 1 1 21 21 VAL CB C 21 31.741 31.741 31.947 -0.206 18431 7354 1 17 . 1 1 22 22 LYS HA H 22 3.435 3.435 3.876 -0.441 18431 7355 1 17 . 1 1 22 22 LYS CA C 22 60.282 60.282 59.359 0.923 18431 7356 1 17 . 1 1 22 22 LYS CB C 22 31.283 31.283 31.636 -0.352 18431 7357 1 17 . 1 1 23 23 THR N N 23 116.224 116.224 117.076 -0.852 18431 7358 1 17 . 1 1 23 23 THR HA H 23 3.796 3.796 4.112 -0.316 18431 7359 1 17 . 1 1 23 23 THR CA C 23 66.591 66.591 66.792 -0.201 18431 7360 1 17 . 1 1 23 23 THR CB C 23 68.361 68.361 68.989 -0.628 18431 7361 1 17 . 1 1 23 23 THR H H 23 7.391 7.391 7.530 -0.139 18431 7362 1 17 . 1 1 24 24 LEU HA H 24 4.022 4.022 4.314 -0.292 18431 7363 1 17 . 1 1 24 24 LEU CA C 24 57.911 57.911 58.140 -0.229 18431 7364 1 17 . 1 1 24 24 LEU CB C 24 42.110 42.110 41.940 0.170 18431 7365 1 17 . 1 1 24 24 LEU H H 24 7.699 7.699 8.323 -0.624 18431 7366 1 17 . 1 1 25 25 LEU N N 25 118.389 118.389 117.762 0.627 18431 7367 1 17 . 1 1 25 25 LEU HA H 25 4.135 4.135 4.263 -0.128 18431 7368 1 17 . 1 1 25 25 LEU CA C 25 57.864 57.864 57.451 0.413 18431 7369 1 17 . 1 1 25 25 LEU CB C 25 42.653 42.653 41.803 0.850 18431 7370 1 17 . 1 1 25 25 LEU H H 25 8.331 8.331 7.636 0.695 18431 7371 1 17 . 1 1 26 26 LYS N N 26 118.433 118.433 119.871 -1.438 18431 7372 1 17 . 1 1 26 26 LYS HA H 26 3.833 3.833 3.962 -0.129 18431 7373 1 17 . 1 1 26 26 LYS CA C 26 60.095 60.095 58.994 1.101 18431 7374 1 17 . 1 1 26 26 LYS CB C 26 31.623 31.623 32.141 -0.518 18431 7375 1 17 . 1 1 26 26 LYS H H 26 8.464 8.464 7.588 0.876 18431 7376 1 17 . 1 1 27 27 GLU N N 27 120.838 120.838 119.373 1.465 18431 7377 1 17 . 1 1 27 27 GLU HA H 27 3.945 3.945 4.254 -0.309 18431 7378 1 17 . 1 1 27 27 GLU CA C 27 59.509 59.509 58.346 1.163 18431 7379 1 17 . 1 1 27 27 GLU CB C 27 29.199 29.199 29.275 -0.076 18431 7380 1 17 . 1 1 27 27 GLU H H 27 8.246 8.246 8.721 -0.475 18431 7381 1 17 . 1 1 28 28 TRP N N 28 122.200 122.200 121.800 0.400 18431 7382 1 17 . 1 1 28 28 TRP HA H 28 4.597 4.597 4.564 0.033 18431 7383 1 17 . 1 1 28 28 TRP CA C 28 59.443 59.443 60.593 -1.150 18431 7384 1 17 . 1 1 28 28 TRP CB C 28 29.083 29.083 29.542 -0.459 18431 7385 1 17 . 1 1 28 28 TRP H H 28 8.143 8.143 8.076 0.067 18431 7386 1 17 . 1 1 29 29 ILE N N 29 114.954 114.954 116.844 -1.890 18431 7387 1 17 . 1 1 29 29 ILE HA H 29 2.742 2.742 3.011 -0.269 18431 7388 1 17 . 1 1 29 29 ILE CA C 29 62.759 62.759 62.640 0.119 18431 7389 1 17 . 1 1 29 29 ILE CB C 29 37.992 37.992 38.412 -0.420 18431 7390 1 17 . 1 1 29 29 ILE H H 29 7.999 7.999 7.019 0.980 18431 7391 1 17 . 1 1 30 30 THR N N 30 106.869 106.869 113.664 -6.795 18431 7392 1 17 . 1 1 30 30 THR HA H 30 4.117 4.117 4.070 0.047 18431 7393 1 17 . 1 1 30 30 THR CA C 30 63.447 63.447 64.742 -1.294 18431 7394 1 17 . 1 1 30 30 THR CB C 30 70.045 70.045 68.880 1.165 18431 7395 1 17 . 1 1 30 30 THR H H 30 7.622 7.622 7.604 0.018 18431 7396 1 17 . 1 1 31 31 THR N N 31 111.890 111.890 114.463 -2.573 18431 7397 1 17 . 1 1 31 31 THR HA H 31 4.503 4.503 4.109 0.394 18431 7398 1 17 . 1 1 31 31 THR CA C 31 63.231 63.231 64.517 -1.286 18431 7399 1 17 . 1 1 31 31 THR CB C 31 70.556 70.556 69.049 1.507 18431 7400 1 17 . 1 1 31 31 THR H H 31 7.588 7.588 7.930 -0.342 18431 7401 1 17 . 1 1 32 32 ILE N N 32 123.663 123.663 122.254 1.409 18431 7402 1 17 . 1 1 32 32 ILE HA H 32 4.499 4.499 4.347 0.152 18431 7403 1 17 . 1 1 32 32 ILE CA C 32 59.426 59.426 59.756 -0.330 18431 7404 1 17 . 1 1 32 32 ILE CB C 32 37.378 37.378 37.967 -0.589 18431 7405 1 17 . 1 1 32 32 ILE H H 32 7.929 7.929 7.494 0.435 18431 7406 1 17 . 1 1 33 33 SER N N 33 119.544 119.544 117.594 1.950 18431 7407 1 17 . 1 1 33 33 SER HA H 33 4.523 4.523 4.753 -0.230 18431 7408 1 17 . 1 1 33 33 SER CA C 33 59.189 59.189 58.524 0.665 18431 7409 1 17 . 1 1 33 33 SER CB C 33 63.838 63.838 65.547 -1.709 18431 7410 1 17 . 1 1 33 33 SER H H 33 8.418 8.418 8.738 -0.320 18431 7411 1 17 . 1 1 34 34 ASP HA H 34 4.821 4.821 4.734 0.087 18431 7412 1 17 . 1 1 34 34 ASP CA C 34 51.168 51.168 51.565 -0.397 18431 7413 1 17 . 1 1 34 34 ASP CB C 34 41.139 41.139 41.137 0.002 18431 7414 1 17 . 1 1 34 34 ASP H H 34 7.730 7.730 7.782 -0.052 18431 7415 1 17 . 1 1 35 35 PRO HA H 35 4.167 4.167 4.403 -0.236 18431 7416 1 17 . 1 1 35 35 PRO CA C 35 62.085 62.085 62.739 -0.654 18431 7417 1 17 . 1 1 35 35 PRO CB C 35 31.767 31.767 33.064 -1.297 18431 7418 1 17 . 1 1 36 36 MET N N 36 121.309 121.309 117.850 3.459 18431 7419 1 17 . 1 1 36 36 MET HA H 36 4.565 4.565 4.603 -0.038 18431 7420 1 17 . 1 1 36 36 MET CA C 36 53.867 53.867 54.279 -0.412 18431 7421 1 17 . 1 1 36 36 MET CB C 36 32.411 32.411 35.202 -2.791 18431 7422 1 17 . 1 1 36 36 MET H H 36 9.165 9.165 8.180 0.985 18431 7423 1 17 . 1 1 37 37 GLU N N 37 125.284 125.284 120.740 4.544 18431 7424 1 17 . 1 1 37 37 GLU HA H 37 3.744 3.744 3.864 -0.120 18431 7425 1 17 . 1 1 37 37 GLU CA C 37 60.307 60.307 59.558 0.749 18431 7426 1 17 . 1 1 37 37 GLU CB C 37 29.448 29.448 28.910 0.538 18431 7427 1 17 . 1 1 37 37 GLU H H 37 9.034 9.034 8.889 0.145 18431 7428 1 17 . 1 1 38 38 GLU N N 38 116.000 116.000 117.883 -1.883 18431 7429 1 17 . 1 1 38 38 GLU HA H 38 4.003 4.003 4.077 -0.074 18431 7430 1 17 . 1 1 38 38 GLU CA C 38 59.588 59.588 59.026 0.562 18431 7431 1 17 . 1 1 38 38 GLU CB C 38 29.280 29.280 28.867 0.413 18431 7432 1 17 . 1 1 38 38 GLU H H 38 9.356 9.356 8.789 0.567 18431 7433 1 17 . 1 1 39 39 ASP N N 39 118.974 118.974 120.607 -1.633 18431 7434 1 17 . 1 1 39 39 ASP HA H 39 4.493 4.493 4.440 0.053 18431 7435 1 17 . 1 1 39 39 ASP CA C 39 57.231 57.231 57.183 0.048 18431 7436 1 17 . 1 1 39 39 ASP CB C 39 41.226 41.226 40.396 0.830 18431 7437 1 17 . 1 1 39 39 ASP H H 39 7.169 7.169 8.095 -0.926 18431 7438 1 17 . 1 1 40 40 ILE N N 40 120.269 120.269 119.120 1.149 18431 7439 1 17 . 1 1 40 40 ILE HA H 40 3.845 3.845 4.120 -0.275 18431 7440 1 17 . 1 1 40 40 ILE CA C 40 65.345 65.345 64.446 0.899 18431 7441 1 17 . 1 1 40 40 ILE CB C 40 37.500 37.500 38.166 -0.666 18431 7442 1 17 . 1 1 40 40 ILE H H 40 7.766 7.766 7.313 0.453 18431 7443 1 17 . 1 1 41 41 LEU N N 41 118.715 118.715 119.972 -1.257 18431 7444 1 17 . 1 1 41 41 LEU HA H 41 4.131 4.131 4.126 0.005 18431 7445 1 17 . 1 1 41 41 LEU CA C 41 57.835 57.835 57.593 0.242 18431 7446 1 17 . 1 1 41 41 LEU CB C 41 40.819 40.819 40.646 0.173 18431 7447 1 17 . 1 1 41 41 LEU H H 41 8.726 8.726 7.485 1.241 18431 7448 1 17 . 1 1 42 42 GLN N N 42 119.539 119.539 119.018 0.521 18431 7449 1 17 . 1 1 42 42 GLN HA H 42 4.177 4.177 4.092 0.085 18431 7450 1 17 . 1 1 42 42 GLN CA C 42 59.241 59.241 58.957 0.284 18431 7451 1 17 . 1 1 42 42 GLN CB C 42 28.518 28.518 28.559 -0.041 18431 7452 1 17 . 1 1 42 42 GLN H H 42 7.768 7.768 8.172 -0.404 18431 7453 1 17 . 1 1 43 43 VAL N N 43 121.194 121.194 116.052 5.142 18431 7454 1 17 . 1 1 43 43 VAL HA H 43 3.787 3.787 3.734 0.053 18431 7455 1 17 . 1 1 43 43 VAL CA C 43 66.760 66.760 66.083 0.677 18431 7456 1 17 . 1 1 43 43 VAL CB C 43 31.423 31.423 31.240 0.183 18431 7457 1 17 . 1 1 43 43 VAL H H 43 7.712 7.712 7.450 0.262 18431 7458 1 17 . 1 1 44 44 VAL N N 44 120.876 120.876 120.407 0.469 18431 7459 1 17 . 1 1 44 44 VAL HA H 44 3.422 3.422 3.820 -0.398 18431 7460 1 17 . 1 1 44 44 VAL CA C 44 67.910 67.910 66.198 1.712 18431 7461 1 17 . 1 1 44 44 VAL CB C 44 31.392 31.392 31.229 0.163 18431 7462 1 17 . 1 1 44 44 VAL H H 44 8.232 8.232 7.532 0.700 18431 7463 1 17 . 1 1 45 45 ARG N N 45 120.934 120.934 120.743 0.191 18431 7464 1 17 . 1 1 45 45 ARG HA H 45 4.148 4.148 4.071 0.077 18431 7465 1 17 . 1 1 45 45 ARG CA C 45 58.593 58.593 58.283 0.310 18431 7466 1 17 . 1 1 45 45 ARG CB C 45 29.608 29.608 29.306 0.302 18431 7467 1 17 . 1 1 45 45 ARG H H 45 8.489 8.489 8.009 0.480 18431 7468 1 17 . 1 1 46 46 TYR N N 46 120.548 120.548 120.206 0.342 18431 7469 1 17 . 1 1 46 46 TYR HA H 46 4.547 4.547 4.318 0.229 18431 7470 1 17 . 1 1 46 46 TYR CA C 46 60.926 60.926 61.071 -0.145 18431 7471 1 17 . 1 1 46 46 TYR CB C 46 38.447 38.447 38.446 0.001 18431 7472 1 17 . 1 1 46 46 TYR H H 46 7.870 7.870 7.711 0.159 18431 7473 1 17 . 1 1 47 47 CYS N N 47 115.132 115.132 118.316 -3.184 18431 7474 1 17 . 1 1 47 47 CYS HA H 47 3.738 3.738 3.713 0.025 18431 7475 1 17 . 1 1 47 47 CYS CA C 47 64.313 64.313 64.070 0.243 18431 7476 1 17 . 1 1 47 47 CYS CB C 47 27.744 27.744 28.038 -0.294 18431 7477 1 17 . 1 1 47 47 CYS H H 47 8.109 8.109 7.749 0.360 18431 7478 1 17 . 1 1 48 48 THR N N 48 114.153 114.153 114.681 -0.528 18431 7479 1 17 . 1 1 48 48 THR HA H 48 3.877 3.877 4.006 -0.129 18431 7480 1 17 . 1 1 48 48 THR CA C 48 66.755 66.755 67.130 -0.375 18431 7481 1 17 . 1 1 48 48 THR CB C 48 67.593 67.593 68.160 -0.567 18431 7482 1 17 . 1 1 48 48 THR H H 48 8.776 8.776 8.283 0.493 18431 7483 1 17 . 1 1 49 49 ASP N N 49 126.528 126.528 121.136 5.392 18431 7484 1 17 . 1 1 49 49 ASP HA H 49 4.425 4.425 4.906 -0.481 18431 7485 1 17 . 1 1 49 49 ASP CA C 49 57.688 57.688 56.432 1.256 18431 7486 1 17 . 1 1 49 49 ASP CB C 49 39.249 39.249 40.479 -1.230 18431 7487 1 17 . 1 1 49 49 ASP H H 49 8.697 8.697 7.587 1.110 18431 7488 1 17 . 1 1 50 50 LEU HA H 50 3.924 3.924 3.894 0.030 18431 7489 1 17 . 1 1 50 50 LEU CA C 50 58.157 58.157 57.831 0.326 18431 7490 1 17 . 1 1 50 50 LEU CB C 50 41.408 41.408 41.931 -0.523 18431 7491 1 17 . 1 1 51 51 ILE N N 51 118.832 118.832 116.650 2.182 18431 7492 1 17 . 1 1 51 51 ILE HA H 51 3.417 3.417 3.702 -0.285 18431 7493 1 17 . 1 1 51 51 ILE CA C 51 66.261 66.261 64.752 1.509 18431 7494 1 17 . 1 1 51 51 ILE CB C 51 37.691 37.691 37.563 0.128 18431 7495 1 17 . 1 1 51 51 ILE H H 51 7.639 7.639 7.519 0.120 18431 7496 1 17 . 1 1 52 52 GLU N N 52 123.247 123.247 117.468 5.779 18431 7497 1 17 . 1 1 52 52 GLU HA H 52 4.001 4.001 4.091 -0.090 18431 7498 1 17 . 1 1 52 52 GLU CA C 52 59.592 59.592 58.510 1.082 18431 7499 1 17 . 1 1 52 52 GLU CB C 52 29.068 29.068 29.737 -0.669 18431 7500 1 17 . 1 1 52 52 GLU H H 52 8.506 8.506 7.980 0.526 18431 7501 1 17 . 1 1 53 53 GLU N N 53 116.384 116.384 115.417 0.967 18431 7502 1 17 . 1 1 53 53 GLU HA H 53 4.294 4.294 4.417 -0.123 18431 7503 1 17 . 1 1 53 53 GLU CA C 53 55.907 55.907 55.856 0.051 18431 7504 1 17 . 1 1 53 53 GLU CB C 53 29.710 29.710 29.635 0.075 18431 7505 1 17 . 1 1 53 53 GLU H H 53 7.716 7.716 7.818 -0.102 18431 7506 1 17 . 1 1 54 54 LYS N N 54 116.934 116.934 114.477 2.457 18431 7507 1 17 . 1 1 54 54 LYS HA H 54 3.662 3.662 3.951 -0.289 18431 7508 1 17 . 1 1 54 54 LYS CA C 54 57.278 57.278 57.965 -0.687 18431 7509 1 17 . 1 1 54 54 LYS CB C 54 29.785 29.785 30.117 -0.333 18431 7510 1 17 . 1 1 54 54 LYS H H 54 8.089 8.089 7.443 0.646 18431 7511 1 17 . 1 1 55 55 ASP N N 55 122.549 122.549 119.116 3.433 18431 7512 1 17 . 1 1 55 55 ASP HA H 55 5.058 5.058 4.771 0.287 18431 7513 1 17 . 1 1 55 55 ASP CA C 55 51.306 51.306 53.496 -2.190 18431 7514 1 17 . 1 1 55 55 ASP CB C 55 38.856 38.856 40.553 -1.697 18431 7515 1 17 . 1 1 55 55 ASP H H 55 8.497 8.497 8.133 0.364 18431 7516 1 17 . 1 1 56 56 LEU N N 56 119.627 119.627 116.990 2.637 18431 7517 1 17 . 1 1 56 56 LEU HA H 56 3.901 3.901 4.317 -0.416 18431 7518 1 17 . 1 1 56 56 LEU CA C 56 56.528 56.528 55.045 1.483 18431 7519 1 17 . 1 1 56 56 LEU CB C 56 40.034 40.034 40.327 -0.293 18431 7520 1 17 . 1 1 56 56 LEU H H 56 7.578 7.578 8.032 -0.454 18431 7521 1 17 . 1 1 57 57 GLU N N 57 121.433 121.433 121.604 -0.171 18431 7522 1 17 . 1 1 57 57 GLU HA H 57 4.041 4.041 3.821 0.220 18431 7523 1 17 . 1 1 57 57 GLU CA C 57 59.321 59.321 59.915 -0.594 18431 7524 1 17 . 1 1 57 57 GLU CB C 57 29.229 29.229 29.035 0.194 18431 7525 1 17 . 1 1 57 57 GLU H H 57 8.614 8.614 8.430 0.184 18431 7526 1 17 . 1 1 58 58 LYS N N 58 119.832 119.832 118.241 1.591 18431 7527 1 17 . 1 1 58 58 LYS HA H 58 3.760 3.760 3.859 -0.099 18431 7528 1 17 . 1 1 58 58 LYS CA C 58 59.273 59.273 58.206 1.067 18431 7529 1 17 . 1 1 58 58 LYS CB C 58 32.370 32.370 32.066 0.304 18431 7530 1 17 . 1 1 58 58 LYS H H 58 7.527 7.527 7.687 -0.160 18431 7531 1 17 . 1 1 59 59 LEU N N 59 117.844 117.844 122.570 -4.726 18431 7532 1 17 . 1 1 59 59 LEU HA H 59 3.912 3.912 3.938 -0.026 18431 7533 1 17 . 1 1 59 59 LEU CA C 59 57.865 57.865 58.081 -0.215 18431 7534 1 17 . 1 1 59 59 LEU CB C 59 41.382 41.382 41.766 -0.384 18431 7535 1 17 . 1 1 59 59 LEU H H 59 7.570 7.570 7.737 -0.167 18431 7536 1 17 . 1 1 60 60 ASP N N 60 117.630 117.630 118.527 -0.897 18431 7537 1 17 . 1 1 60 60 ASP HA H 60 4.273 4.273 4.296 -0.023 18431 7538 1 17 . 1 1 60 60 ASP CA C 60 57.695 57.695 57.834 -0.139 18431 7539 1 17 . 1 1 60 60 ASP CB C 60 42.074 42.074 40.742 1.332 18431 7540 1 17 . 1 1 60 60 ASP H H 60 7.849 7.849 8.051 -0.202 18431 7541 1 17 . 1 1 61 61 LEU N N 61 116.500 116.500 118.448 -1.948 18431 7542 1 17 . 1 1 61 61 LEU HA H 61 3.924 3.924 4.124 -0.200 18431 7543 1 17 . 1 1 61 61 LEU CA C 61 57.886 57.886 56.910 0.976 18431 7544 1 17 . 1 1 61 61 LEU CB C 61 41.825 41.825 41.666 0.159 18431 7545 1 17 . 1 1 61 61 LEU H H 61 7.484 7.484 7.018 0.466 18431 7546 1 17 . 1 1 62 62 VAL N N 62 120.681 120.681 119.727 0.954 18431 7547 1 17 . 1 1 62 62 VAL HA H 62 3.963 3.963 3.827 0.136 18431 7548 1 17 . 1 1 62 62 VAL CA C 62 66.843 66.843 66.878 -0.035 18431 7549 1 17 . 1 1 62 62 VAL CB C 62 31.954 31.954 31.676 0.278 18431 7550 1 17 . 1 1 62 62 VAL H H 62 8.682 8.682 7.844 0.838 18431 7551 1 17 . 1 1 63 63 ILE N N 63 122.448 122.448 119.320 3.128 18431 7552 1 17 . 1 1 63 63 ILE HA H 63 3.995 3.995 3.824 0.171 18431 7553 1 17 . 1 1 63 63 ILE CA C 63 63.777 63.777 64.531 -0.754 18431 7554 1 17 . 1 1 63 63 ILE CB C 63 35.707 35.707 36.639 -0.932 18431 7555 1 17 . 1 1 63 63 ILE H H 63 8.824 8.824 8.161 0.663 18431 7556 1 17 . 1 1 64 64 LYS N N 64 118.898 118.898 118.613 0.285 18431 7557 1 17 . 1 1 64 64 LYS HA H 64 3.889 3.889 4.062 -0.173 18431 7558 1 17 . 1 1 64 64 LYS CA C 64 60.416 60.416 59.643 0.773 18431 7559 1 17 . 1 1 64 64 LYS CB C 64 32.563 32.563 31.991 0.573 18431 7560 1 17 . 1 1 64 64 LYS H H 64 8.368 8.368 8.049 0.319 18431 7561 1 17 . 1 1 65 65 TYR N N 65 121.217 121.217 120.789 0.428 18431 7562 1 17 . 1 1 65 65 TYR HA H 65 4.330 4.330 4.337 -0.007 18431 7563 1 17 . 1 1 65 65 TYR CA C 65 61.779 61.779 60.653 1.126 18431 7564 1 17 . 1 1 65 65 TYR CB C 65 38.898 38.898 38.784 0.114 18431 7565 1 17 . 1 1 65 65 TYR H H 65 8.200 8.200 7.745 0.455 18431 7566 1 17 . 1 1 66 66 MET N N 66 116.741 116.741 118.914 -2.173 18431 7567 1 17 . 1 1 66 66 MET HA H 66 3.682 3.682 3.992 -0.310 18431 7568 1 17 . 1 1 66 66 MET CA C 66 60.444 60.444 58.681 1.763 18431 7569 1 17 . 1 1 66 66 MET CB C 66 33.627 33.627 33.247 0.380 18431 7570 1 17 . 1 1 66 66 MET H H 66 8.681 8.681 8.477 0.204 18431 7571 1 17 . 1 1 67 67 LYS N N 67 119.826 119.826 118.774 1.052 18431 7572 1 17 . 1 1 67 67 LYS HA H 67 2.637 2.637 3.126 -0.489 18431 7573 1 17 . 1 1 67 67 LYS CA C 67 59.949 59.949 58.826 1.123 18431 7574 1 17 . 1 1 67 67 LYS CB C 67 32.596 32.596 32.010 0.586 18431 7575 1 17 . 1 1 67 67 LYS H H 67 8.563 8.563 8.455 0.108 18431 7576 1 17 . 1 1 68 68 ARG N N 68 116.343 116.343 118.201 -1.858 18431 7577 1 17 . 1 1 68 68 ARG HA H 68 3.859 3.859 4.190 -0.331 18431 7578 1 17 . 1 1 68 68 ARG CA C 68 58.254 58.254 58.208 0.046 18431 7579 1 17 . 1 1 68 68 ARG CB C 68 29.605 29.605 29.893 -0.288 18431 7580 1 17 . 1 1 68 68 ARG H H 68 7.117 7.117 7.467 -0.350 18431 7581 1 17 . 1 1 69 69 LEU N N 69 116.573 116.573 121.075 -4.502 18431 7582 1 17 . 1 1 69 69 LEU HA H 69 3.847 3.847 3.895 -0.048 18431 7583 1 17 . 1 1 69 69 LEU CA C 69 56.861 56.861 57.072 -0.210 18431 7584 1 17 . 1 1 69 69 LEU CB C 69 42.950 42.950 41.961 0.989 18431 7585 1 17 . 1 1 69 69 LEU H H 69 7.360 7.360 7.386 -0.026 18431 7586 1 17 . 1 1 70 70 MET N N 70 115.874 115.874 115.411 0.463 18431 7587 1 17 . 1 1 70 70 MET HA H 70 3.823 3.823 3.868 -0.045 18431 7588 1 17 . 1 1 70 70 MET CA C 70 59.195 59.195 57.498 1.697 18431 7589 1 17 . 1 1 70 70 MET CB C 70 32.315 32.315 32.052 0.263 18431 7590 1 17 . 1 1 70 70 MET H H 70 8.769 8.769 7.594 1.175 18431 7591 1 17 . 1 1 71 71 GLN N N 71 114.286 114.286 115.848 -1.562 18431 7592 1 17 . 1 1 71 71 GLN HA H 71 4.416 4.416 3.987 0.429 18431 7593 1 17 . 1 1 71 71 GLN CA C 71 56.527 56.527 57.974 -1.448 18431 7594 1 17 . 1 1 71 71 GLN CB C 71 27.446 27.446 29.144 -1.698 18431 7595 1 17 . 1 1 71 71 GLN H H 71 7.522 7.522 7.491 0.031 18431 7596 1 17 . 1 1 72 72 GLN N N 72 117.645 117.645 116.314 1.331 18431 7597 1 17 . 1 1 72 72 GLN HA H 72 4.198 4.198 4.075 0.123 18431 7598 1 17 . 1 1 72 72 GLN CA C 72 56.549 56.549 56.819 -0.270 18431 7599 1 17 . 1 1 72 72 GLN CB C 72 28.824 28.824 28.417 0.407 18431 7600 1 17 . 1 1 72 72 GLN H H 72 7.279 7.279 7.709 -0.430 18431 7601 1 17 . 1 1 73 73 SER N N 73 113.600 113.600 115.616 -2.016 18431 7602 1 17 . 1 1 73 73 SER HA H 73 4.504 4.504 4.366 0.138 18431 7603 1 17 . 1 1 73 73 SER CA C 73 57.600 57.600 57.777 -0.177 18431 7604 1 17 . 1 1 73 73 SER CB C 73 63.542 63.542 64.030 -0.488 18431 7605 1 17 . 1 1 73 73 SER H H 73 7.588 7.588 7.472 0.116 18431 7606 1 17 . 1 1 74 74 VAL N N 74 121.652 121.652 120.937 0.715 18431 7607 1 17 . 1 1 74 74 VAL HA H 74 4.136 4.136 4.233 -0.097 18431 7608 1 17 . 1 1 74 74 VAL CA C 74 62.985 62.985 61.796 1.189 18431 7609 1 17 . 1 1 74 74 VAL CB C 74 31.797 31.797 32.475 -0.678 18431 7610 1 17 . 1 1 74 74 VAL H H 74 8.300 8.300 8.362 -0.062 18431 7611 1 17 . 1 1 75 75 GLU N N 75 120.481 120.481 121.198 -0.717 18431 7612 1 17 . 1 1 75 75 GLU HA H 75 4.415 4.415 4.247 0.168 18431 7613 1 17 . 1 1 75 75 GLU CA C 75 56.061 56.061 57.514 -1.454 18431 7614 1 17 . 1 1 75 75 GLU CB C 75 29.153 29.153 29.695 -0.542 18431 7615 1 17 . 1 1 75 75 GLU H H 75 8.486 8.486 8.054 0.432 18431 7616 1 17 . 1 1 76 76 SER HA H 76 4.498 4.498 4.111 0.387 18431 7617 1 17 . 1 1 76 76 SER CA C 76 59.426 59.426 61.562 -2.136 18431 7618 1 17 . 1 1 76 76 SER CB C 76 64.071 64.071 63.100 0.971 18431 7619 1 17 . 1 1 76 76 SER H H 76 8.142 8.142 8.749 -0.607 18431 7620 1 17 . 1 1 77 77 VAL N N 77 122.712 122.712 120.969 1.743 18431 7621 1 17 . 1 1 77 77 VAL HA H 77 4.036 4.036 3.671 0.365 18431 7622 1 17 . 1 1 77 77 VAL CA C 77 64.600 64.600 65.519 -0.919 18431 7623 1 17 . 1 1 77 77 VAL CB C 77 30.843 30.843 31.492 -0.649 18431 7624 1 17 . 1 1 77 77 VAL H H 77 8.750 8.750 8.044 0.706 18431 7625 1 17 . 1 1 78 78 TRP N N 78 121.247 121.247 119.483 1.764 18431 7626 1 17 . 1 1 78 78 TRP HA H 78 4.507 4.507 4.324 0.183 18431 7627 1 17 . 1 1 78 78 TRP CA C 78 59.753 59.753 60.395 -0.642 18431 7628 1 17 . 1 1 78 78 TRP CB C 78 29.332 29.332 29.395 -0.063 18431 7629 1 17 . 1 1 78 78 TRP H H 78 7.837 7.837 7.481 0.356 18431 7630 1 17 . 1 1 79 79 ASN N N 79 119.032 119.032 117.538 1.494 18431 7631 1 17 . 1 1 79 79 ASN HA H 79 4.382 4.382 4.498 -0.116 18431 7632 1 17 . 1 1 79 79 ASN CA C 79 57.406 57.406 56.911 0.495 18431 7633 1 17 . 1 1 79 79 ASN CB C 79 38.813 38.813 38.475 0.338 18431 7634 1 17 . 1 1 79 79 ASN H H 79 7.856 7.856 8.454 -0.598 18431 7635 1 17 . 1 1 80 80 MET N N 80 117.280 117.280 118.451 -1.171 18431 7636 1 17 . 1 1 80 80 MET HA H 80 4.383 4.383 4.327 0.056 18431 7637 1 17 . 1 1 80 80 MET CA C 80 58.111 58.111 58.871 -0.760 18431 7638 1 17 . 1 1 80 80 MET CB C 80 32.350 32.350 32.570 -0.220 18431 7639 1 17 . 1 1 80 80 MET H H 80 7.765 7.765 8.695 -0.930 18431 7640 1 17 . 1 1 81 81 ALA N N 81 123.582 123.582 123.333 0.249 18431 7641 1 17 . 1 1 81 81 ALA HA H 81 4.220 4.220 4.104 0.116 18431 7642 1 17 . 1 1 81 81 ALA CA C 81 54.997 54.997 55.278 -0.281 18431 7643 1 17 . 1 1 81 81 ALA CB C 81 17.615 17.615 18.010 -0.395 18431 7644 1 17 . 1 1 81 81 ALA H H 81 8.019 8.019 7.808 0.211 18431 7645 1 17 . 1 1 82 82 PHE N N 82 117.853 117.853 118.914 -1.061 18431 7646 1 17 . 1 1 82 82 PHE HA H 82 4.201 4.201 4.242 -0.041 18431 7647 1 17 . 1 1 82 82 PHE CA C 82 62.679 62.679 60.572 2.107 18431 7648 1 17 . 1 1 82 82 PHE CB C 82 38.078 38.078 38.986 -0.908 18431 7649 1 17 . 1 1 82 82 PHE H H 82 8.455 8.455 8.631 -0.176 18431 7650 1 17 . 1 1 83 83 ASP N N 83 118.244 118.244 119.676 -1.432 18431 7651 1 17 . 1 1 83 83 ASP HA H 83 4.250 4.250 3.972 0.278 18431 7652 1 17 . 1 1 83 83 ASP CA C 83 57.602 57.602 57.632 -0.030 18431 7653 1 17 . 1 1 83 83 ASP CB C 83 40.117 40.117 40.422 -0.305 18431 7654 1 17 . 1 1 83 83 ASP H H 83 7.615 7.615 7.873 -0.258 18431 7655 1 17 . 1 1 84 84 PHE N N 84 120.090 120.090 120.702 -0.612 18431 7656 1 17 . 1 1 84 84 PHE HA H 84 4.319 4.319 4.250 0.069 18431 7657 1 17 . 1 1 84 84 PHE CA C 84 61.110 61.110 61.364 -0.254 18431 7658 1 17 . 1 1 84 84 PHE CB C 84 39.225 39.225 39.558 -0.333 18431 7659 1 17 . 1 1 84 84 PHE H H 84 7.849 7.849 7.603 0.246 18431 7660 1 17 . 1 1 85 85 ILE N N 85 122.915 122.915 120.035 2.880 18431 7661 1 17 . 1 1 85 85 ILE HA H 85 3.372 3.372 3.623 -0.251 18431 7662 1 17 . 1 1 85 85 ILE CA C 85 65.864 65.864 66.072 -0.208 18431 7663 1 17 . 1 1 85 85 ILE CB C 85 38.422 38.422 38.048 0.374 18431 7664 1 17 . 1 1 85 85 ILE H H 85 8.687 8.687 8.715 -0.028 18431 7665 1 17 . 1 1 86 86 LEU N N 86 119.481 119.481 117.222 2.259 18431 7666 1 17 . 1 1 86 86 LEU HA H 86 3.715 3.715 3.998 -0.283 18431 7667 1 17 . 1 1 86 86 LEU CA C 86 57.875 57.875 58.575 -0.700 18431 7668 1 17 . 1 1 86 86 LEU CB C 86 40.602 40.602 40.665 -0.063 18431 7669 1 17 . 1 1 86 86 LEU H H 86 8.682 8.682 8.251 0.431 18431 7670 1 17 . 1 1 87 87 ASP N N 87 118.290 118.290 119.193 -0.903 18431 7671 1 17 . 1 1 87 87 ASP HA H 87 4.255 4.255 4.178 0.077 18431 7672 1 17 . 1 1 87 87 ASP CA C 87 57.604 57.604 57.121 0.483 18431 7673 1 17 . 1 1 87 87 ASP CB C 87 40.580 40.580 40.389 0.191 18431 7674 1 17 . 1 1 87 87 ASP H H 87 8.301 8.301 7.814 0.487 18431 7675 1 17 . 1 1 88 88 ASN N N 88 115.606 115.606 117.773 -2.167 18431 7676 1 17 . 1 1 88 88 ASN HA H 88 4.139 4.139 4.407 -0.268 18431 7677 1 17 . 1 1 88 88 ASN CA C 88 57.067 57.067 56.000 1.067 18431 7678 1 17 . 1 1 88 88 ASN CB C 88 39.734 39.734 39.012 0.722 18431 7679 1 17 . 1 1 88 88 ASN H H 88 7.421 7.421 7.646 -0.225 18431 7680 1 17 . 1 1 89 89 VAL N N 89 120.092 120.092 118.074 2.018 18431 7681 1 17 . 1 1 89 89 VAL HA H 89 3.421 3.421 3.861 -0.440 18431 7682 1 17 . 1 1 89 89 VAL CA C 89 66.777 66.777 66.008 0.769 18431 7683 1 17 . 1 1 89 89 VAL CB C 89 31.592 31.592 30.790 0.802 18431 7684 1 17 . 1 1 89 89 VAL H H 89 8.367 8.367 7.674 0.693 18431 7685 1 17 . 1 1 90 90 GLN N N 90 118.315 118.315 118.815 -0.500 18431 7686 1 17 . 1 1 90 90 GLN HA H 90 4.427 4.427 4.176 0.251 18431 7687 1 17 . 1 1 90 90 GLN CA C 90 58.918 58.918 58.049 0.869 18431 7688 1 17 . 1 1 90 90 GLN CB C 90 28.471 28.471 28.075 0.396 18431 7689 1 17 . 1 1 90 90 GLN H H 90 8.780 8.780 8.383 0.397 18431 7690 1 17 . 1 1 91 91 VAL N N 91 118.757 118.757 120.707 -1.950 18431 7691 1 17 . 1 1 91 91 VAL HA H 91 3.720 3.720 3.730 -0.010 18431 7692 1 17 . 1 1 91 91 VAL CA C 91 66.303 66.303 65.631 0.672 18431 7693 1 17 . 1 1 91 91 VAL CB C 91 31.641 31.641 31.844 -0.203 18431 7694 1 17 . 1 1 91 91 VAL H H 91 7.640 7.640 7.149 0.491 18431 7695 1 17 . 1 1 92 92 VAL N N 92 120.289 120.289 120.002 0.287 18431 7696 1 17 . 1 1 92 92 VAL HA H 92 3.728 3.728 3.634 0.094 18431 7697 1 17 . 1 1 92 92 VAL CA C 92 66.270 66.270 66.329 -0.059 18431 7698 1 17 . 1 1 92 92 VAL CB C 92 31.354 31.354 32.051 -0.697 18431 7699 1 17 . 1 1 92 92 VAL H H 92 7.382 7.382 8.073 -0.691 18431 7700 1 17 . 1 1 93 93 LEU N N 93 123.817 123.817 116.856 6.961 18431 7701 1 17 . 1 1 93 93 LEU HA H 93 4.038 4.038 4.281 -0.243 18431 7702 1 17 . 1 1 93 93 LEU CA C 93 58.777 58.777 57.763 1.014 18431 7703 1 17 . 1 1 93 93 LEU CB C 93 41.790 41.790 41.508 0.283 18431 7704 1 17 . 1 1 93 93 LEU H H 93 8.813 8.813 7.484 1.329 18431 7705 1 17 . 1 1 94 94 GLN N N 94 119.660 119.660 119.558 0.102 18431 7706 1 17 . 1 1 94 94 GLN HA H 94 3.990 3.990 4.269 -0.279 18431 7707 1 17 . 1 1 94 94 GLN CA C 94 58.977 58.977 58.584 0.393 18431 7708 1 17 . 1 1 94 94 GLN CB C 94 28.270 28.270 28.439 -0.169 18431 7709 1 17 . 1 1 94 94 GLN H H 94 8.469 8.469 7.779 0.690 18431 7710 1 17 . 1 1 95 95 GLN N N 95 117.593 117.593 117.126 0.467 18431 7711 1 17 . 1 1 95 95 GLN HA H 95 4.068 4.068 4.162 -0.094 18431 7712 1 17 . 1 1 95 95 GLN CA C 95 57.991 57.991 58.182 -0.191 18431 7713 1 17 . 1 1 95 95 GLN CB C 95 28.548 28.548 28.739 -0.191 18431 7714 1 17 . 1 1 95 95 GLN H H 95 8.088 8.088 7.698 0.390 18431 7715 1 17 . 1 1 96 96 THR N N 96 113.065 113.065 112.315 0.750 18431 7716 1 17 . 1 1 96 96 THR HA H 96 4.003 4.003 4.141 -0.138 18431 7717 1 17 . 1 1 96 96 THR CA C 96 64.857 64.857 64.040 0.818 18431 7718 1 17 . 1 1 96 96 THR CB C 96 69.618 69.618 69.248 0.370 18431 7719 1 17 . 1 1 96 96 THR H H 96 7.970 7.970 7.684 0.286 18431 7720 1 17 . 1 1 97 97 TYR N N 97 118.178 118.178 118.422 -0.244 18431 7721 1 17 . 1 1 97 97 TYR HA H 97 4.717 4.717 4.562 0.155 18431 7722 1 17 . 1 1 97 97 TYR CA C 97 58.312 58.312 59.700 -1.388 18431 7723 1 17 . 1 1 97 97 TYR CB C 97 40.223 40.223 39.760 0.463 18431 7724 1 17 . 1 1 97 97 TYR H H 97 8.438 8.438 8.443 -0.005 18431 7725 1 17 . 1 1 98 98 GLY N N 98 109.735 109.735 104.405 5.330 18431 7726 1 17 . 1 1 98 98 GLY CA C 98 45.908 45.908 45.056 0.852 18431 7727 1 17 . 1 1 98 98 GLY H H 98 8.014 8.014 8.093 -0.079 18431 7728 1 17 . 1 1 99 99 SER N N 99 114.137 114.137 114.559 -0.422 18431 7729 1 17 . 1 1 99 99 SER HA H 99 4.642 4.642 4.813 -0.171 18431 7730 1 17 . 1 1 99 99 SER CA C 99 57.226 57.226 56.868 0.358 18431 7731 1 17 . 1 1 99 99 SER CB C 99 64.294 64.294 64.292 0.002 18431 7732 1 17 . 1 1 99 99 SER H H 99 7.666 7.666 7.955 -0.289 18431 7733 1 17 . 1 1 100 100 THR N N 100 110.514 110.514 110.045 0.469 18431 7734 1 17 . 1 1 100 100 THR HA H 100 4.424 4.424 4.514 -0.090 18431 7735 1 17 . 1 1 100 100 THR CA C 100 60.964 60.964 60.408 0.556 18431 7736 1 17 . 1 1 100 100 THR CB C 100 70.303 70.303 70.846 -0.543 18431 7737 1 17 . 1 1 100 100 THR H H 100 7.899 7.899 7.920 -0.021 18431 7738 1 17 . 1 1 101 101 LEU N N 101 124.047 124.047 121.539 2.508 18431 7739 1 17 . 1 1 101 101 LEU HA H 101 4.313 4.313 4.526 -0.213 18431 7740 1 17 . 1 1 101 101 LEU CA C 101 54.930 54.930 54.728 0.202 18431 7741 1 17 . 1 1 101 101 LEU CB C 101 42.501 42.501 43.011 -0.510 18431 7742 1 17 . 1 1 101 101 LEU H H 101 8.847 8.847 8.426 0.421 18431 7743 1 17 . 1 1 102 102 LYS N N 102 124.883 124.883 122.631 2.252 18431 7744 1 17 . 1 1 102 102 LYS HA H 102 4.415 4.415 4.375 0.040 18431 7745 1 17 . 1 1 102 102 LYS CA C 102 55.588 55.588 55.914 -0.326 18431 7746 1 17 . 1 1 102 102 LYS CB C 102 32.596 32.596 32.028 0.568 18431 7747 1 17 . 1 1 102 102 LYS H H 102 8.578 8.578 8.466 0.112 18431 7748 1 17 . 1 1 103 103 VAL N N 103 122.753 122.753 128.325 -5.572 18431 7749 1 17 . 1 1 103 103 VAL HA H 103 4.237 4.237 4.411 -0.174 18431 7750 1 17 . 1 1 103 103 VAL CA C 103 61.956 61.956 62.150 -0.194 18431 7751 1 17 . 1 1 103 103 VAL CB C 103 32.747 32.747 31.341 1.406 18431 7752 1 17 . 1 1 103 103 VAL H H 103 8.348 8.348 8.645 -0.297 18431 7753 1 18 . 1 1 9 9 ALA N N 9 123.345 123.345 126.065 -2.720 18431 7754 1 18 . 1 1 9 9 ALA HA H 9 4.549 4.549 4.544 0.005 18431 7755 1 18 . 1 1 9 9 ALA CA C 9 50.151 50.151 51.295 -1.144 18431 7756 1 18 . 1 1 9 9 ALA CB C 9 18.185 18.185 18.960 -0.775 18431 7757 1 18 . 1 1 9 9 ALA H H 9 7.992 7.992 8.160 -0.168 18431 7758 1 18 . 1 1 10 10 PRO HA H 10 4.299 4.299 4.348 -0.049 18431 7759 1 18 . 1 1 10 10 PRO CA C 10 62.937 62.937 63.587 -0.650 18431 7760 1 18 . 1 1 10 10 PRO CB C 10 31.902 31.902 32.138 -0.236 18431 7761 1 18 . 1 1 11 11 ASN N N 11 117.877 117.877 117.686 0.191 18431 7762 1 18 . 1 1 11 11 ASN HA H 11 4.646 4.646 4.609 0.037 18431 7763 1 18 . 1 1 11 11 ASN CA C 11 53.077 53.077 53.066 0.011 18431 7764 1 18 . 1 1 11 11 ASN CB C 11 38.590 38.590 39.134 -0.544 18431 7765 1 18 . 1 1 11 11 ASN H H 11 8.467 8.467 7.841 0.626 18431 7766 1 18 . 1 1 12 12 LEU N N 12 122.874 122.874 119.741 3.133 18431 7767 1 18 . 1 1 12 12 LEU HA H 12 4.290 4.290 4.631 -0.341 18431 7768 1 18 . 1 1 12 12 LEU CA C 12 55.170 55.170 55.696 -0.526 18431 7769 1 18 . 1 1 12 12 LEU CB C 12 42.131 42.131 42.080 0.051 18431 7770 1 18 . 1 1 12 12 LEU H H 12 8.196 8.196 8.316 -0.120 18431 7771 1 18 . 1 1 13 13 ALA N N 13 123.854 123.854 123.460 0.394 18431 7772 1 18 . 1 1 13 13 ALA HA H 13 4.243 4.243 4.589 -0.346 18431 7773 1 18 . 1 1 13 13 ALA CA C 13 52.672 52.672 51.422 1.250 18431 7774 1 18 . 1 1 13 13 ALA CB C 13 18.923 18.923 19.320 -0.397 18431 7775 1 18 . 1 1 13 13 ALA H H 13 8.214 8.214 7.660 0.554 18431 7776 1 18 . 1 1 14 14 GLY N N 14 107.993 107.993 106.790 1.203 18431 7777 1 18 . 1 1 14 14 GLY CA C 14 44.989 44.989 45.249 -0.260 18431 7778 1 18 . 1 1 14 14 GLY H H 14 8.246 8.246 8.323 -0.077 18431 7779 1 18 . 1 1 15 15 ALA N N 15 123.594 123.594 120.358 3.236 18431 7780 1 18 . 1 1 15 15 ALA HA H 15 4.330 4.330 4.046 0.284 18431 7781 1 18 . 1 1 15 15 ALA CA C 15 52.147 52.147 52.072 0.075 18431 7782 1 18 . 1 1 15 15 ALA CB C 15 18.941 18.941 17.393 1.548 18431 7783 1 18 . 1 1 15 15 ALA H H 15 8.017 8.017 7.850 0.167 18431 7784 1 18 . 1 1 16 16 VAL N N 16 119.010 119.010 110.293 8.717 18431 7785 1 18 . 1 1 16 16 VAL HA H 16 4.036 4.036 3.915 0.121 18431 7786 1 18 . 1 1 16 16 VAL CA C 16 62.127 62.127 63.871 -1.744 18431 7787 1 18 . 1 1 16 16 VAL CB C 16 32.727 32.727 32.064 0.663 18431 7788 1 18 . 1 1 16 16 VAL H H 16 8.060 8.060 7.962 0.098 18431 7789 1 18 . 1 1 17 17 GLU N N 17 124.211 124.211 120.193 4.018 18431 7790 1 18 . 1 1 17 17 GLU HA H 17 4.429 4.429 4.294 0.135 18431 7791 1 18 . 1 1 17 17 GLU CA C 17 57.429 57.429 55.569 1.859 18431 7792 1 18 . 1 1 17 17 GLU CB C 17 29.421 29.421 29.775 -0.354 18431 7793 1 18 . 1 1 17 17 GLU H H 17 8.436 8.436 7.678 0.758 18431 7794 1 18 . 1 1 18 18 PHE HA H 18 4.291 4.291 4.189 0.102 18431 7795 1 18 . 1 1 18 18 PHE CA C 18 60.955 60.955 60.998 -0.043 18431 7796 1 18 . 1 1 18 18 PHE CB C 18 38.464 38.464 39.269 -0.805 18431 7797 1 18 . 1 1 19 19 SER N N 19 112.147 112.147 113.312 -1.165 18431 7798 1 18 . 1 1 19 19 SER HA H 19 3.659 3.659 3.928 -0.269 18431 7799 1 18 . 1 1 19 19 SER CA C 19 61.576 61.576 61.948 -0.372 18431 7800 1 18 . 1 1 19 19 SER CB C 19 61.649 61.649 62.006 -0.357 18431 7801 1 18 . 1 1 19 19 SER H H 19 8.871 8.871 8.447 0.424 18431 7802 1 18 . 1 1 20 20 ASP N N 20 120.916 120.916 121.160 -0.244 18431 7803 1 18 . 1 1 20 20 ASP HA H 20 4.492 4.492 4.544 -0.052 18431 7804 1 18 . 1 1 20 20 ASP CA C 20 56.696 56.696 56.176 0.520 18431 7805 1 18 . 1 1 20 20 ASP CB C 20 40.543 40.543 40.728 -0.185 18431 7806 1 18 . 1 1 20 20 ASP H H 20 7.019 7.019 7.579 -0.560 18431 7807 1 18 . 1 1 21 21 VAL HA H 21 3.224 3.224 3.590 -0.366 18431 7808 1 18 . 1 1 21 21 VAL CA C 21 66.801 66.801 65.846 0.955 18431 7809 1 18 . 1 1 21 21 VAL CB C 21 31.741 31.741 31.508 0.233 18431 7810 1 18 . 1 1 22 22 LYS HA H 22 3.435 3.435 3.754 -0.319 18431 7811 1 18 . 1 1 22 22 LYS CA C 22 60.282 60.282 59.358 0.924 18431 7812 1 18 . 1 1 22 22 LYS CB C 22 31.283 31.283 31.129 0.154 18431 7813 1 18 . 1 1 23 23 THR N N 23 116.224 116.224 116.716 -0.492 18431 7814 1 18 . 1 1 23 23 THR HA H 23 3.796 3.796 4.152 -0.356 18431 7815 1 18 . 1 1 23 23 THR CA C 23 66.591 66.591 66.409 0.182 18431 7816 1 18 . 1 1 23 23 THR CB C 23 68.361 68.361 68.732 -0.371 18431 7817 1 18 . 1 1 23 23 THR H H 23 7.391 7.391 7.356 0.035 18431 7818 1 18 . 1 1 24 24 LEU HA H 24 4.022 4.022 4.258 -0.235 18431 7819 1 18 . 1 1 24 24 LEU CA C 24 57.911 57.911 58.082 -0.171 18431 7820 1 18 . 1 1 24 24 LEU CB C 24 42.110 42.110 41.838 0.272 18431 7821 1 18 . 1 1 24 24 LEU H H 24 7.699 7.699 7.522 0.177 18431 7822 1 18 . 1 1 25 25 LEU N N 25 118.389 118.389 118.056 0.333 18431 7823 1 18 . 1 1 25 25 LEU HA H 25 4.135 4.135 4.264 -0.129 18431 7824 1 18 . 1 1 25 25 LEU CA C 25 57.864 57.864 57.712 0.152 18431 7825 1 18 . 1 1 25 25 LEU CB C 25 42.653 42.653 41.866 0.787 18431 7826 1 18 . 1 1 25 25 LEU H H 25 8.331 8.331 8.092 0.239 18431 7827 1 18 . 1 1 26 26 LYS N N 26 118.433 118.433 119.836 -1.403 18431 7828 1 18 . 1 1 26 26 LYS HA H 26 3.833 3.833 3.992 -0.159 18431 7829 1 18 . 1 1 26 26 LYS CA C 26 60.095 60.095 58.771 1.324 18431 7830 1 18 . 1 1 26 26 LYS CB C 26 31.623 31.623 31.969 -0.346 18431 7831 1 18 . 1 1 26 26 LYS H H 26 8.464 8.464 7.586 0.878 18431 7832 1 18 . 1 1 27 27 GLU N N 27 120.838 120.838 119.442 1.396 18431 7833 1 18 . 1 1 27 27 GLU HA H 27 3.945 3.945 4.242 -0.297 18431 7834 1 18 . 1 1 27 27 GLU CA C 27 59.509 59.509 58.415 1.094 18431 7835 1 18 . 1 1 27 27 GLU CB C 27 29.199 29.199 29.188 0.011 18431 7836 1 18 . 1 1 27 27 GLU H H 27 8.246 8.246 8.777 -0.531 18431 7837 1 18 . 1 1 28 28 TRP N N 28 122.200 122.200 121.721 0.479 18431 7838 1 18 . 1 1 28 28 TRP HA H 28 4.597 4.597 4.584 0.013 18431 7839 1 18 . 1 1 28 28 TRP CA C 28 59.443 59.443 60.445 -1.002 18431 7840 1 18 . 1 1 28 28 TRP CB C 28 29.083 29.083 29.556 -0.473 18431 7841 1 18 . 1 1 28 28 TRP H H 28 8.143 8.143 8.073 0.070 18431 7842 1 18 . 1 1 29 29 ILE N N 29 114.954 114.954 117.412 -2.458 18431 7843 1 18 . 1 1 29 29 ILE HA H 29 2.742 2.742 3.419 -0.677 18431 7844 1 18 . 1 1 29 29 ILE CA C 29 62.759 62.759 63.231 -0.472 18431 7845 1 18 . 1 1 29 29 ILE CB C 29 37.992 37.992 38.176 -0.184 18431 7846 1 18 . 1 1 29 29 ILE H H 29 7.999 7.999 7.045 0.954 18431 7847 1 18 . 1 1 30 30 THR N N 30 106.869 106.869 114.335 -7.466 18431 7848 1 18 . 1 1 30 30 THR HA H 30 4.117 4.117 4.106 0.011 18431 7849 1 18 . 1 1 30 30 THR CA C 30 63.447 63.447 64.763 -1.316 18431 7850 1 18 . 1 1 30 30 THR CB C 30 70.045 70.045 68.758 1.287 18431 7851 1 18 . 1 1 30 30 THR H H 30 7.622 7.622 7.777 -0.155 18431 7852 1 18 . 1 1 31 31 THR N N 31 111.890 111.890 114.502 -2.612 18431 7853 1 18 . 1 1 31 31 THR HA H 31 4.503 4.503 4.118 0.385 18431 7854 1 18 . 1 1 31 31 THR CA C 31 63.231 63.231 64.623 -1.392 18431 7855 1 18 . 1 1 31 31 THR CB C 31 70.556 70.556 69.138 1.418 18431 7856 1 18 . 1 1 31 31 THR H H 31 7.588 7.588 7.980 -0.392 18431 7857 1 18 . 1 1 32 32 ILE N N 32 123.663 123.663 120.894 2.769 18431 7858 1 18 . 1 1 32 32 ILE HA H 32 4.499 4.499 4.256 0.243 18431 7859 1 18 . 1 1 32 32 ILE CA C 32 59.426 59.426 60.326 -0.900 18431 7860 1 18 . 1 1 32 32 ILE CB C 32 37.378 37.378 38.302 -0.924 18431 7861 1 18 . 1 1 32 32 ILE H H 32 7.929 7.929 7.461 0.468 18431 7862 1 18 . 1 1 33 33 SER N N 33 119.544 119.544 116.468 3.076 18431 7863 1 18 . 1 1 33 33 SER HA H 33 4.523 4.523 4.788 -0.265 18431 7864 1 18 . 1 1 33 33 SER CA C 33 59.189 59.189 59.382 -0.193 18431 7865 1 18 . 1 1 33 33 SER CB C 33 63.838 63.838 65.654 -1.816 18431 7866 1 18 . 1 1 33 33 SER H H 33 8.418 8.418 8.598 -0.180 18431 7867 1 18 . 1 1 34 34 ASP HA H 34 4.821 4.821 4.867 -0.046 18431 7868 1 18 . 1 1 34 34 ASP CA C 34 51.168 51.168 51.962 -0.794 18431 7869 1 18 . 1 1 34 34 ASP CB C 34 41.139 41.139 42.374 -1.235 18431 7870 1 18 . 1 1 34 34 ASP H H 34 7.730 7.730 8.172 -0.442 18431 7871 1 18 . 1 1 35 35 PRO HA H 35 4.167 4.167 4.460 -0.293 18431 7872 1 18 . 1 1 35 35 PRO CA C 35 62.085 62.085 62.679 -0.594 18431 7873 1 18 . 1 1 35 35 PRO CB C 35 31.767 31.767 32.591 -0.824 18431 7874 1 18 . 1 1 36 36 MET N N 36 121.309 121.309 119.530 1.779 18431 7875 1 18 . 1 1 36 36 MET HA H 36 4.565 4.565 4.485 0.080 18431 7876 1 18 . 1 1 36 36 MET CA C 36 53.867 53.867 53.980 -0.113 18431 7877 1 18 . 1 1 36 36 MET CB C 36 32.411 32.411 34.596 -2.185 18431 7878 1 18 . 1 1 36 36 MET H H 36 9.165 9.165 8.684 0.481 18431 7879 1 18 . 1 1 37 37 GLU N N 37 125.284 125.284 121.745 3.539 18431 7880 1 18 . 1 1 37 37 GLU HA H 37 3.744 3.744 3.833 -0.089 18431 7881 1 18 . 1 1 37 37 GLU CA C 37 60.307 60.307 59.685 0.622 18431 7882 1 18 . 1 1 37 37 GLU CB C 37 29.448 29.448 28.952 0.496 18431 7883 1 18 . 1 1 37 37 GLU H H 37 9.034 9.034 8.828 0.206 18431 7884 1 18 . 1 1 38 38 GLU N N 38 116.000 116.000 117.300 -1.300 18431 7885 1 18 . 1 1 38 38 GLU HA H 38 4.003 4.003 4.048 -0.045 18431 7886 1 18 . 1 1 38 38 GLU CA C 38 59.588 59.588 59.012 0.576 18431 7887 1 18 . 1 1 38 38 GLU CB C 38 29.280 29.280 28.795 0.485 18431 7888 1 18 . 1 1 38 38 GLU H H 38 9.356 9.356 8.690 0.666 18431 7889 1 18 . 1 1 39 39 ASP N N 39 118.974 118.974 120.539 -1.565 18431 7890 1 18 . 1 1 39 39 ASP HA H 39 4.493 4.493 4.448 0.045 18431 7891 1 18 . 1 1 39 39 ASP CA C 39 57.231 57.231 56.971 0.260 18431 7892 1 18 . 1 1 39 39 ASP CB C 39 41.226 41.226 40.431 0.795 18431 7893 1 18 . 1 1 39 39 ASP H H 39 7.169 7.169 8.116 -0.947 18431 7894 1 18 . 1 1 40 40 ILE N N 40 120.269 120.269 119.299 0.970 18431 7895 1 18 . 1 1 40 40 ILE HA H 40 3.845 3.845 4.054 -0.209 18431 7896 1 18 . 1 1 40 40 ILE CA C 40 65.345 65.345 64.462 0.883 18431 7897 1 18 . 1 1 40 40 ILE CB C 40 37.500 37.500 37.975 -0.475 18431 7898 1 18 . 1 1 40 40 ILE H H 40 7.766 7.766 7.325 0.441 18431 7899 1 18 . 1 1 41 41 LEU N N 41 118.715 118.715 120.191 -1.476 18431 7900 1 18 . 1 1 41 41 LEU HA H 41 4.131 4.131 4.178 -0.047 18431 7901 1 18 . 1 1 41 41 LEU CA C 41 57.835 57.835 57.267 0.568 18431 7902 1 18 . 1 1 41 41 LEU CB C 41 40.819 40.819 40.616 0.203 18431 7903 1 18 . 1 1 41 41 LEU H H 41 8.726 8.726 7.560 1.166 18431 7904 1 18 . 1 1 42 42 GLN N N 42 119.539 119.539 119.191 0.348 18431 7905 1 18 . 1 1 42 42 GLN HA H 42 4.177 4.177 4.100 0.077 18431 7906 1 18 . 1 1 42 42 GLN CA C 42 59.241 59.241 58.615 0.626 18431 7907 1 18 . 1 1 42 42 GLN CB C 42 28.518 28.518 28.247 0.271 18431 7908 1 18 . 1 1 42 42 GLN H H 42 7.768 7.768 8.196 -0.428 18431 7909 1 18 . 1 1 43 43 VAL N N 43 121.194 121.194 116.407 4.787 18431 7910 1 18 . 1 1 43 43 VAL HA H 43 3.787 3.787 3.774 0.013 18431 7911 1 18 . 1 1 43 43 VAL CA C 43 66.760 66.760 65.360 1.400 18431 7912 1 18 . 1 1 43 43 VAL CB C 43 31.423 31.423 30.432 0.991 18431 7913 1 18 . 1 1 43 43 VAL H H 43 7.712 7.712 7.434 0.278 18431 7914 1 18 . 1 1 44 44 VAL N N 44 120.876 120.876 120.974 -0.098 18431 7915 1 18 . 1 1 44 44 VAL HA H 44 3.422 3.422 3.836 -0.414 18431 7916 1 18 . 1 1 44 44 VAL CA C 44 67.910 67.910 66.341 1.569 18431 7917 1 18 . 1 1 44 44 VAL CB C 44 31.392 31.392 31.116 0.276 18431 7918 1 18 . 1 1 44 44 VAL H H 44 8.232 8.232 7.331 0.901 18431 7919 1 18 . 1 1 45 45 ARG N N 45 120.934 120.934 120.362 0.572 18431 7920 1 18 . 1 1 45 45 ARG HA H 45 4.148 4.148 4.051 0.097 18431 7921 1 18 . 1 1 45 45 ARG CA C 45 58.593 58.593 58.785 -0.192 18431 7922 1 18 . 1 1 45 45 ARG CB C 45 29.608 29.608 29.479 0.129 18431 7923 1 18 . 1 1 45 45 ARG H H 45 8.489 8.489 8.046 0.443 18431 7924 1 18 . 1 1 46 46 TYR N N 46 120.548 120.548 121.612 -1.064 18431 7925 1 18 . 1 1 46 46 TYR HA H 46 4.547 4.547 4.316 0.231 18431 7926 1 18 . 1 1 46 46 TYR CA C 46 60.926 60.926 61.230 -0.304 18431 7927 1 18 . 1 1 46 46 TYR CB C 46 38.447 38.447 37.988 0.459 18431 7928 1 18 . 1 1 46 46 TYR H H 46 7.870 7.870 7.711 0.159 18431 7929 1 18 . 1 1 47 47 CYS N N 47 115.132 115.132 117.231 -2.099 18431 7930 1 18 . 1 1 47 47 CYS HA H 47 3.738 3.738 3.755 -0.017 18431 7931 1 18 . 1 1 47 47 CYS CA C 47 64.313 64.313 63.877 0.436 18431 7932 1 18 . 1 1 47 47 CYS CB C 47 27.744 27.744 27.561 0.182 18431 7933 1 18 . 1 1 47 47 CYS H H 47 8.109 8.109 7.815 0.294 18431 7934 1 18 . 1 1 48 48 THR N N 48 114.153 114.153 116.594 -2.441 18431 7935 1 18 . 1 1 48 48 THR HA H 48 3.877 3.877 4.009 -0.132 18431 7936 1 18 . 1 1 48 48 THR CA C 48 66.755 66.755 67.399 -0.644 18431 7937 1 18 . 1 1 48 48 THR CB C 48 67.593 67.593 68.211 -0.618 18431 7938 1 18 . 1 1 48 48 THR H H 48 8.776 8.776 8.477 0.299 18431 7939 1 18 . 1 1 49 49 ASP N N 49 126.528 126.528 121.366 5.162 18431 7940 1 18 . 1 1 49 49 ASP HA H 49 4.425 4.425 4.517 -0.092 18431 7941 1 18 . 1 1 49 49 ASP CA C 49 57.688 57.688 56.898 0.790 18431 7942 1 18 . 1 1 49 49 ASP CB C 49 39.249 39.249 40.572 -1.323 18431 7943 1 18 . 1 1 49 49 ASP H H 49 8.697 8.697 7.904 0.793 18431 7944 1 18 . 1 1 50 50 LEU HA H 50 3.924 3.924 3.958 -0.034 18431 7945 1 18 . 1 1 50 50 LEU CA C 50 58.157 58.157 57.562 0.595 18431 7946 1 18 . 1 1 50 50 LEU CB C 50 41.408 41.408 41.875 -0.467 18431 7947 1 18 . 1 1 51 51 ILE N N 51 118.832 118.832 117.550 1.282 18431 7948 1 18 . 1 1 51 51 ILE HA H 51 3.417 3.417 3.713 -0.296 18431 7949 1 18 . 1 1 51 51 ILE CA C 51 66.261 66.261 65.090 1.171 18431 7950 1 18 . 1 1 51 51 ILE CB C 51 37.691 37.691 37.327 0.364 18431 7951 1 18 . 1 1 51 51 ILE H H 51 7.639 7.639 7.653 -0.014 18431 7952 1 18 . 1 1 52 52 GLU N N 52 123.247 123.247 119.154 4.093 18431 7953 1 18 . 1 1 52 52 GLU HA H 52 4.001 4.001 4.165 -0.164 18431 7954 1 18 . 1 1 52 52 GLU CA C 52 59.592 59.592 58.726 0.866 18431 7955 1 18 . 1 1 52 52 GLU CB C 52 29.068 29.068 29.381 -0.313 18431 7956 1 18 . 1 1 52 52 GLU H H 52 8.506 8.506 7.992 0.514 18431 7957 1 18 . 1 1 53 53 GLU N N 53 116.384 116.384 116.268 0.116 18431 7958 1 18 . 1 1 53 53 GLU HA H 53 4.294 4.294 4.455 -0.161 18431 7959 1 18 . 1 1 53 53 GLU CA C 53 55.907 55.907 55.767 0.140 18431 7960 1 18 . 1 1 53 53 GLU CB C 53 29.710 29.710 29.610 0.100 18431 7961 1 18 . 1 1 53 53 GLU H H 53 7.716 7.716 7.721 -0.005 18431 7962 1 18 . 1 1 54 54 LYS N N 54 116.934 116.934 114.536 2.398 18431 7963 1 18 . 1 1 54 54 LYS HA H 54 3.662 3.662 3.960 -0.298 18431 7964 1 18 . 1 1 54 54 LYS CA C 54 57.278 57.278 57.922 -0.644 18431 7965 1 18 . 1 1 54 54 LYS CB C 54 29.785 29.785 30.124 -0.339 18431 7966 1 18 . 1 1 54 54 LYS H H 54 8.089 8.089 7.518 0.571 18431 7967 1 18 . 1 1 55 55 ASP N N 55 122.549 122.549 119.198 3.351 18431 7968 1 18 . 1 1 55 55 ASP HA H 55 5.058 5.058 4.780 0.278 18431 7969 1 18 . 1 1 55 55 ASP CA C 55 51.306 51.306 53.326 -2.020 18431 7970 1 18 . 1 1 55 55 ASP CB C 55 38.856 38.856 40.432 -1.576 18431 7971 1 18 . 1 1 55 55 ASP H H 55 8.497 8.497 8.351 0.146 18431 7972 1 18 . 1 1 56 56 LEU N N 56 119.627 119.627 117.195 2.432 18431 7973 1 18 . 1 1 56 56 LEU HA H 56 3.901 3.901 4.293 -0.392 18431 7974 1 18 . 1 1 56 56 LEU CA C 56 56.528 56.528 55.729 0.799 18431 7975 1 18 . 1 1 56 56 LEU CB C 56 40.034 40.034 40.390 -0.356 18431 7976 1 18 . 1 1 56 56 LEU H H 56 7.578 7.578 7.993 -0.415 18431 7977 1 18 . 1 1 57 57 GLU N N 57 121.433 121.433 120.492 0.941 18431 7978 1 18 . 1 1 57 57 GLU HA H 57 4.041 4.041 3.911 0.130 18431 7979 1 18 . 1 1 57 57 GLU CA C 57 59.321 59.321 59.730 -0.409 18431 7980 1 18 . 1 1 57 57 GLU CB C 57 29.229 29.229 28.930 0.299 18431 7981 1 18 . 1 1 57 57 GLU H H 57 8.614 8.614 8.343 0.271 18431 7982 1 18 . 1 1 58 58 LYS N N 58 119.832 119.832 118.125 1.707 18431 7983 1 18 . 1 1 58 58 LYS HA H 58 3.760 3.760 3.972 -0.212 18431 7984 1 18 . 1 1 58 58 LYS CA C 58 59.273 59.273 58.268 1.005 18431 7985 1 18 . 1 1 58 58 LYS CB C 58 32.370 32.370 32.262 0.108 18431 7986 1 18 . 1 1 58 58 LYS H H 58 7.527 7.527 7.472 0.055 18431 7987 1 18 . 1 1 59 59 LEU N N 59 117.844 117.844 119.132 -1.288 18431 7988 1 18 . 1 1 59 59 LEU HA H 59 3.912 3.912 4.188 -0.276 18431 7989 1 18 . 1 1 59 59 LEU CA C 59 57.865 57.865 57.680 0.185 18431 7990 1 18 . 1 1 59 59 LEU CB C 59 41.382 41.382 41.418 -0.036 18431 7991 1 18 . 1 1 59 59 LEU H H 59 7.570 7.570 7.389 0.181 18431 7992 1 18 . 1 1 60 60 ASP N N 60 117.630 117.630 119.764 -2.134 18431 7993 1 18 . 1 1 60 60 ASP HA H 60 4.273 4.273 4.355 -0.082 18431 7994 1 18 . 1 1 60 60 ASP CA C 60 57.695 57.695 58.258 -0.563 18431 7995 1 18 . 1 1 60 60 ASP CB C 60 42.074 42.074 40.661 1.413 18431 7996 1 18 . 1 1 60 60 ASP H H 60 7.849 7.849 7.994 -0.145 18431 7997 1 18 . 1 1 61 61 LEU N N 61 116.500 116.500 118.668 -2.168 18431 7998 1 18 . 1 1 61 61 LEU HA H 61 3.924 3.924 4.121 -0.197 18431 7999 1 18 . 1 1 61 61 LEU CA C 61 57.886 57.886 57.027 0.859 18431 8000 1 18 . 1 1 61 61 LEU CB C 61 41.825 41.825 41.634 0.191 18431 8001 1 18 . 1 1 61 61 LEU H H 61 7.484 7.484 7.252 0.232 18431 8002 1 18 . 1 1 62 62 VAL N N 62 120.681 120.681 119.449 1.232 18431 8003 1 18 . 1 1 62 62 VAL HA H 62 3.963 3.963 3.944 0.019 18431 8004 1 18 . 1 1 62 62 VAL CA C 62 66.843 66.843 66.404 0.439 18431 8005 1 18 . 1 1 62 62 VAL CB C 62 31.954 31.954 31.007 0.947 18431 8006 1 18 . 1 1 62 62 VAL H H 62 8.682 8.682 7.358 1.324 18431 8007 1 18 . 1 1 63 63 ILE N N 63 122.448 122.448 119.439 3.009 18431 8008 1 18 . 1 1 63 63 ILE HA H 63 3.995 3.995 3.942 0.053 18431 8009 1 18 . 1 1 63 63 ILE CA C 63 63.777 63.777 64.868 -1.091 18431 8010 1 18 . 1 1 63 63 ILE CB C 63 35.707 35.707 36.453 -0.746 18431 8011 1 18 . 1 1 63 63 ILE H H 63 8.824 8.824 7.875 0.949 18431 8012 1 18 . 1 1 64 64 LYS N N 64 118.898 118.898 118.993 -0.095 18431 8013 1 18 . 1 1 64 64 LYS HA H 64 3.889 3.889 4.165 -0.276 18431 8014 1 18 . 1 1 64 64 LYS CA C 64 60.416 60.416 59.064 1.352 18431 8015 1 18 . 1 1 64 64 LYS CB C 64 32.563 32.563 31.776 0.787 18431 8016 1 18 . 1 1 64 64 LYS H H 64 8.368 8.368 7.738 0.630 18431 8017 1 18 . 1 1 65 65 TYR N N 65 121.217 121.217 121.561 -0.344 18431 8018 1 18 . 1 1 65 65 TYR HA H 65 4.330 4.330 4.377 -0.047 18431 8019 1 18 . 1 1 65 65 TYR CA C 65 61.779 61.779 60.809 0.970 18431 8020 1 18 . 1 1 65 65 TYR CB C 65 38.898 38.898 38.663 0.235 18431 8021 1 18 . 1 1 65 65 TYR H H 65 8.200 8.200 7.422 0.778 18431 8022 1 18 . 1 1 66 66 MET N N 66 116.741 116.741 118.656 -1.915 18431 8023 1 18 . 1 1 66 66 MET HA H 66 3.682 3.682 3.958 -0.276 18431 8024 1 18 . 1 1 66 66 MET CA C 66 60.444 60.444 59.288 1.156 18431 8025 1 18 . 1 1 66 66 MET CB C 66 33.627 33.627 33.283 0.343 18431 8026 1 18 . 1 1 66 66 MET H H 66 8.681 8.681 8.740 -0.059 18431 8027 1 18 . 1 1 67 67 LYS N N 67 119.826 119.826 118.438 1.388 18431 8028 1 18 . 1 1 67 67 LYS HA H 67 2.637 2.637 3.143 -0.506 18431 8029 1 18 . 1 1 67 67 LYS CA C 67 59.949 59.949 59.015 0.934 18431 8030 1 18 . 1 1 67 67 LYS CB C 67 32.596 32.596 31.892 0.704 18431 8031 1 18 . 1 1 67 67 LYS H H 67 8.563 8.563 8.201 0.362 18431 8032 1 18 . 1 1 68 68 ARG N N 68 116.343 116.343 118.398 -2.055 18431 8033 1 18 . 1 1 68 68 ARG HA H 68 3.859 3.859 4.113 -0.254 18431 8034 1 18 . 1 1 68 68 ARG CA C 68 58.254 58.254 58.227 0.027 18431 8035 1 18 . 1 1 68 68 ARG CB C 68 29.605 29.605 29.779 -0.174 18431 8036 1 18 . 1 1 68 68 ARG H H 68 7.117 7.117 7.440 -0.323 18431 8037 1 18 . 1 1 69 69 LEU N N 69 116.573 116.573 121.173 -4.600 18431 8038 1 18 . 1 1 69 69 LEU HA H 69 3.847 3.847 3.854 -0.007 18431 8039 1 18 . 1 1 69 69 LEU CA C 69 56.861 56.861 57.108 -0.247 18431 8040 1 18 . 1 1 69 69 LEU CB C 69 42.950 42.950 41.894 1.056 18431 8041 1 18 . 1 1 69 69 LEU H H 69 7.360 7.360 7.486 -0.126 18431 8042 1 18 . 1 1 70 70 MET N N 70 115.874 115.874 116.422 -0.548 18431 8043 1 18 . 1 1 70 70 MET HA H 70 3.823 3.823 3.874 -0.051 18431 8044 1 18 . 1 1 70 70 MET CA C 70 59.195 59.195 57.680 1.515 18431 8045 1 18 . 1 1 70 70 MET CB C 70 32.315 32.315 31.817 0.498 18431 8046 1 18 . 1 1 70 70 MET H H 70 8.769 8.769 8.234 0.535 18431 8047 1 18 . 1 1 71 71 GLN N N 71 114.286 114.286 117.548 -3.262 18431 8048 1 18 . 1 1 71 71 GLN HA H 71 4.416 4.416 3.987 0.429 18431 8049 1 18 . 1 1 71 71 GLN CA C 71 56.527 56.527 58.621 -2.094 18431 8050 1 18 . 1 1 71 71 GLN CB C 71 27.446 27.446 28.338 -0.892 18431 8051 1 18 . 1 1 71 71 GLN H H 71 7.522 7.522 7.727 -0.205 18431 8052 1 18 . 1 1 72 72 GLN N N 72 117.645 117.645 115.430 2.215 18431 8053 1 18 . 1 1 72 72 GLN HA H 72 4.198 4.198 4.074 0.124 18431 8054 1 18 . 1 1 72 72 GLN CA C 72 56.549 56.549 56.653 -0.104 18431 8055 1 18 . 1 1 72 72 GLN CB C 72 28.824 28.824 28.370 0.454 18431 8056 1 18 . 1 1 72 72 GLN H H 72 7.279 7.279 7.554 -0.275 18431 8057 1 18 . 1 1 73 73 SER N N 73 113.600 113.600 115.392 -1.792 18431 8058 1 18 . 1 1 73 73 SER HA H 73 4.504 4.504 4.411 0.093 18431 8059 1 18 . 1 1 73 73 SER CA C 73 57.600 57.600 57.559 0.041 18431 8060 1 18 . 1 1 73 73 SER CB C 73 63.542 63.542 64.585 -1.043 18431 8061 1 18 . 1 1 73 73 SER H H 73 7.588 7.588 7.510 0.078 18431 8062 1 18 . 1 1 74 74 VAL N N 74 121.652 121.652 116.511 5.141 18431 8063 1 18 . 1 1 74 74 VAL HA H 74 4.136 4.136 4.227 -0.091 18431 8064 1 18 . 1 1 74 74 VAL CA C 74 62.985 62.985 62.178 0.807 18431 8065 1 18 . 1 1 74 74 VAL CB C 74 31.797 31.797 32.518 -0.721 18431 8066 1 18 . 1 1 74 74 VAL H H 74 8.300 8.300 8.195 0.105 18431 8067 1 18 . 1 1 75 75 GLU N N 75 120.481 120.481 121.359 -0.878 18431 8068 1 18 . 1 1 75 75 GLU HA H 75 4.415 4.415 4.322 0.093 18431 8069 1 18 . 1 1 75 75 GLU CA C 75 56.061 56.061 56.547 -0.486 18431 8070 1 18 . 1 1 75 75 GLU CB C 75 29.153 29.153 29.790 -0.637 18431 8071 1 18 . 1 1 75 75 GLU H H 75 8.486 8.486 8.033 0.453 18431 8072 1 18 . 1 1 76 76 SER HA H 76 4.498 4.498 4.224 0.274 18431 8073 1 18 . 1 1 76 76 SER CA C 76 59.426 59.426 61.455 -2.029 18431 8074 1 18 . 1 1 76 76 SER CB C 76 64.071 64.071 63.076 0.995 18431 8075 1 18 . 1 1 76 76 SER H H 76 8.142 8.142 8.885 -0.743 18431 8076 1 18 . 1 1 77 77 VAL N N 77 122.712 122.712 121.738 0.974 18431 8077 1 18 . 1 1 77 77 VAL HA H 77 4.036 4.036 3.820 0.216 18431 8078 1 18 . 1 1 77 77 VAL CA C 77 64.600 64.600 64.612 -0.012 18431 8079 1 18 . 1 1 77 77 VAL CB C 77 30.843 30.843 31.085 -0.242 18431 8080 1 18 . 1 1 77 77 VAL H H 77 8.750 8.750 8.052 0.698 18431 8081 1 18 . 1 1 78 78 TRP N N 78 121.247 121.247 120.216 1.031 18431 8082 1 18 . 1 1 78 78 TRP HA H 78 4.507 4.507 4.333 0.174 18431 8083 1 18 . 1 1 78 78 TRP CA C 78 59.753 59.753 60.857 -1.104 18431 8084 1 18 . 1 1 78 78 TRP CB C 78 29.332 29.332 29.386 -0.054 18431 8085 1 18 . 1 1 78 78 TRP H H 78 7.837 7.837 7.590 0.247 18431 8086 1 18 . 1 1 79 79 ASN N N 79 119.032 119.032 118.177 0.855 18431 8087 1 18 . 1 1 79 79 ASN HA H 79 4.382 4.382 4.588 -0.206 18431 8088 1 18 . 1 1 79 79 ASN CA C 79 57.406 57.406 56.598 0.808 18431 8089 1 18 . 1 1 79 79 ASN CB C 79 38.813 38.813 38.454 0.359 18431 8090 1 18 . 1 1 79 79 ASN H H 79 7.856 7.856 7.990 -0.134 18431 8091 1 18 . 1 1 80 80 MET N N 80 117.280 117.280 118.765 -1.485 18431 8092 1 18 . 1 1 80 80 MET HA H 80 4.383 4.383 4.388 -0.005 18431 8093 1 18 . 1 1 80 80 MET CA C 80 58.111 58.111 57.713 0.398 18431 8094 1 18 . 1 1 80 80 MET CB C 80 32.350 32.350 31.871 0.479 18431 8095 1 18 . 1 1 80 80 MET H H 80 7.765 7.765 8.433 -0.668 18431 8096 1 18 . 1 1 81 81 ALA N N 81 123.582 123.582 123.141 0.441 18431 8097 1 18 . 1 1 81 81 ALA HA H 81 4.220 4.220 4.101 0.119 18431 8098 1 18 . 1 1 81 81 ALA CA C 81 54.997 54.997 55.270 -0.273 18431 8099 1 18 . 1 1 81 81 ALA CB C 81 17.615 17.615 17.970 -0.355 18431 8100 1 18 . 1 1 81 81 ALA H H 81 8.019 8.019 7.902 0.117 18431 8101 1 18 . 1 1 82 82 PHE N N 82 117.853 117.853 119.424 -1.571 18431 8102 1 18 . 1 1 82 82 PHE HA H 82 4.201 4.201 4.252 -0.051 18431 8103 1 18 . 1 1 82 82 PHE CA C 82 62.679 62.679 60.562 2.117 18431 8104 1 18 . 1 1 82 82 PHE CB C 82 38.078 38.078 38.871 -0.793 18431 8105 1 18 . 1 1 82 82 PHE H H 82 8.455 8.455 8.469 -0.014 18431 8106 1 18 . 1 1 83 83 ASP N N 83 118.244 118.244 119.576 -1.332 18431 8107 1 18 . 1 1 83 83 ASP HA H 83 4.250 4.250 3.943 0.307 18431 8108 1 18 . 1 1 83 83 ASP CA C 83 57.602 57.602 57.080 0.522 18431 8109 1 18 . 1 1 83 83 ASP CB C 83 40.117 40.117 40.524 -0.407 18431 8110 1 18 . 1 1 83 83 ASP H H 83 7.615 7.615 7.895 -0.280 18431 8111 1 18 . 1 1 84 84 PHE N N 84 120.090 120.090 120.301 -0.211 18431 8112 1 18 . 1 1 84 84 PHE HA H 84 4.319 4.319 4.292 0.027 18431 8113 1 18 . 1 1 84 84 PHE CA C 84 61.110 61.110 61.144 -0.034 18431 8114 1 18 . 1 1 84 84 PHE CB C 84 39.225 39.225 39.584 -0.359 18431 8115 1 18 . 1 1 84 84 PHE H H 84 7.849 7.849 7.622 0.227 18431 8116 1 18 . 1 1 85 85 ILE N N 85 122.915 122.915 120.491 2.424 18431 8117 1 18 . 1 1 85 85 ILE HA H 85 3.372 3.372 3.644 -0.272 18431 8118 1 18 . 1 1 85 85 ILE CA C 85 65.864 65.864 66.074 -0.210 18431 8119 1 18 . 1 1 85 85 ILE CB C 85 38.422 38.422 38.113 0.309 18431 8120 1 18 . 1 1 85 85 ILE H H 85 8.687 8.687 8.544 0.143 18431 8121 1 18 . 1 1 86 86 LEU N N 86 119.481 119.481 117.486 1.995 18431 8122 1 18 . 1 1 86 86 LEU HA H 86 3.715 3.715 3.926 -0.211 18431 8123 1 18 . 1 1 86 86 LEU CA C 86 57.875 57.875 58.545 -0.670 18431 8124 1 18 . 1 1 86 86 LEU CB C 86 40.602 40.602 40.717 -0.115 18431 8125 1 18 . 1 1 86 86 LEU H H 86 8.682 8.682 8.420 0.262 18431 8126 1 18 . 1 1 87 87 ASP N N 87 118.290 118.290 119.244 -0.954 18431 8127 1 18 . 1 1 87 87 ASP HA H 87 4.255 4.255 4.190 0.065 18431 8128 1 18 . 1 1 87 87 ASP CA C 87 57.604 57.604 57.436 0.168 18431 8129 1 18 . 1 1 87 87 ASP CB C 87 40.580 40.580 40.328 0.252 18431 8130 1 18 . 1 1 87 87 ASP H H 87 8.301 8.301 7.849 0.452 18431 8131 1 18 . 1 1 88 88 ASN N N 88 115.606 115.606 118.156 -2.550 18431 8132 1 18 . 1 1 88 88 ASN HA H 88 4.139 4.139 4.316 -0.177 18431 8133 1 18 . 1 1 88 88 ASN CA C 88 57.067 57.067 56.070 0.997 18431 8134 1 18 . 1 1 88 88 ASN CB C 88 39.734 39.734 38.840 0.894 18431 8135 1 18 . 1 1 88 88 ASN H H 88 7.421 7.421 7.720 -0.299 18431 8136 1 18 . 1 1 89 89 VAL N N 89 120.092 120.092 117.343 2.749 18431 8137 1 18 . 1 1 89 89 VAL HA H 89 3.421 3.421 3.839 -0.418 18431 8138 1 18 . 1 1 89 89 VAL CA C 89 66.777 66.777 65.497 1.280 18431 8139 1 18 . 1 1 89 89 VAL CB C 89 31.592 31.592 31.133 0.459 18431 8140 1 18 . 1 1 89 89 VAL H H 89 8.367 8.367 7.680 0.687 18431 8141 1 18 . 1 1 90 90 GLN N N 90 118.315 118.315 118.353 -0.038 18431 8142 1 18 . 1 1 90 90 GLN HA H 90 4.427 4.427 4.102 0.325 18431 8143 1 18 . 1 1 90 90 GLN CA C 90 58.918 58.918 58.544 0.374 18431 8144 1 18 . 1 1 90 90 GLN CB C 90 28.471 28.471 28.744 -0.273 18431 8145 1 18 . 1 1 90 90 GLN H H 90 8.780 8.780 8.154 0.626 18431 8146 1 18 . 1 1 91 91 VAL N N 91 118.757 118.757 120.574 -1.817 18431 8147 1 18 . 1 1 91 91 VAL HA H 91 3.720 3.720 3.750 -0.030 18431 8148 1 18 . 1 1 91 91 VAL CA C 91 66.303 66.303 65.442 0.861 18431 8149 1 18 . 1 1 91 91 VAL CB C 91 31.641 31.641 31.391 0.250 18431 8150 1 18 . 1 1 91 91 VAL H H 91 7.640 7.640 7.939 -0.299 18431 8151 1 18 . 1 1 92 92 VAL N N 92 120.289 120.289 119.883 0.406 18431 8152 1 18 . 1 1 92 92 VAL HA H 92 3.728 3.728 3.680 0.048 18431 8153 1 18 . 1 1 92 92 VAL CA C 92 66.270 66.270 66.422 -0.153 18431 8154 1 18 . 1 1 92 92 VAL CB C 92 31.354 31.354 31.946 -0.592 18431 8155 1 18 . 1 1 92 92 VAL H H 92 7.382 7.382 7.700 -0.318 18431 8156 1 18 . 1 1 93 93 LEU N N 93 123.817 123.817 117.113 6.704 18431 8157 1 18 . 1 1 93 93 LEU HA H 93 4.038 4.038 4.282 -0.244 18431 8158 1 18 . 1 1 93 93 LEU CA C 93 58.777 58.777 57.913 0.864 18431 8159 1 18 . 1 1 93 93 LEU CB C 93 41.790 41.790 41.464 0.326 18431 8160 1 18 . 1 1 93 93 LEU H H 93 8.813 8.813 7.402 1.411 18431 8161 1 18 . 1 1 94 94 GLN N N 94 119.660 119.660 119.491 0.169 18431 8162 1 18 . 1 1 94 94 GLN HA H 94 3.990 3.990 4.283 -0.293 18431 8163 1 18 . 1 1 94 94 GLN CA C 94 58.977 58.977 58.544 0.433 18431 8164 1 18 . 1 1 94 94 GLN CB C 94 28.270 28.270 28.464 -0.194 18431 8165 1 18 . 1 1 94 94 GLN H H 94 8.469 8.469 7.795 0.674 18431 8166 1 18 . 1 1 95 95 GLN N N 95 117.593 117.593 116.136 1.457 18431 8167 1 18 . 1 1 95 95 GLN HA H 95 4.068 4.068 4.162 -0.094 18431 8168 1 18 . 1 1 95 95 GLN CA C 95 57.991 57.991 57.965 0.026 18431 8169 1 18 . 1 1 95 95 GLN CB C 95 28.548 28.548 28.779 -0.231 18431 8170 1 18 . 1 1 95 95 GLN H H 95 8.088 8.088 7.647 0.441 18431 8171 1 18 . 1 1 96 96 THR N N 96 113.065 113.065 112.841 0.224 18431 8172 1 18 . 1 1 96 96 THR HA H 96 4.003 4.003 4.205 -0.202 18431 8173 1 18 . 1 1 96 96 THR CA C 96 64.857 64.857 64.058 0.799 18431 8174 1 18 . 1 1 96 96 THR CB C 96 69.618 69.618 69.463 0.155 18431 8175 1 18 . 1 1 96 96 THR H H 96 7.970 7.970 7.623 0.347 18431 8176 1 18 . 1 1 97 97 TYR N N 97 118.178 118.178 118.383 -0.205 18431 8177 1 18 . 1 1 97 97 TYR HA H 97 4.717 4.717 4.569 0.148 18431 8178 1 18 . 1 1 97 97 TYR CA C 97 58.312 58.312 59.684 -1.372 18431 8179 1 18 . 1 1 97 97 TYR CB C 97 40.223 40.223 39.811 0.412 18431 8180 1 18 . 1 1 97 97 TYR H H 97 8.438 8.438 8.427 0.011 18431 8181 1 18 . 1 1 98 98 GLY N N 98 109.735 109.735 104.062 5.673 18431 8182 1 18 . 1 1 98 98 GLY CA C 98 45.908 45.908 45.154 0.754 18431 8183 1 18 . 1 1 98 98 GLY H H 98 8.014 8.014 8.028 -0.014 18431 8184 1 18 . 1 1 99 99 SER N N 99 114.137 114.137 114.607 -0.470 18431 8185 1 18 . 1 1 99 99 SER HA H 99 4.642 4.642 4.784 -0.142 18431 8186 1 18 . 1 1 99 99 SER CA C 99 57.226 57.226 56.764 0.462 18431 8187 1 18 . 1 1 99 99 SER CB C 99 64.294 64.294 66.004 -1.710 18431 8188 1 18 . 1 1 99 99 SER H H 99 7.666 7.666 7.963 -0.297 18431 8189 1 18 . 1 1 100 100 THR N N 100 110.514 110.514 111.846 -1.332 18431 8190 1 18 . 1 1 100 100 THR HA H 100 4.424 4.424 4.477 -0.053 18431 8191 1 18 . 1 1 100 100 THR CA C 100 60.964 60.964 60.302 0.662 18431 8192 1 18 . 1 1 100 100 THR CB C 100 70.303 70.303 71.098 -0.795 18431 8193 1 18 . 1 1 100 100 THR H H 100 7.899 7.899 8.093 -0.194 18431 8194 1 18 . 1 1 101 101 LEU N N 101 124.047 124.047 121.296 2.751 18431 8195 1 18 . 1 1 101 101 LEU HA H 101 4.313 4.313 4.397 -0.084 18431 8196 1 18 . 1 1 101 101 LEU CA C 101 54.930 54.930 54.234 0.696 18431 8197 1 18 . 1 1 101 101 LEU CB C 101 42.501 42.501 43.028 -0.527 18431 8198 1 18 . 1 1 101 101 LEU H H 101 8.847 8.847 8.373 0.474 18431 8199 1 18 . 1 1 102 102 LYS N N 102 124.883 124.883 122.215 2.668 18431 8200 1 18 . 1 1 102 102 LYS HA H 102 4.415 4.415 4.317 0.098 18431 8201 1 18 . 1 1 102 102 LYS CA C 102 55.588 55.588 56.176 -0.588 18431 8202 1 18 . 1 1 102 102 LYS CB C 102 32.596 32.596 31.731 0.865 18431 8203 1 18 . 1 1 102 102 LYS H H 102 8.578 8.578 8.421 0.157 18431 8204 1 18 . 1 1 103 103 VAL N N 103 122.753 122.753 127.821 -5.068 18431 8205 1 18 . 1 1 103 103 VAL HA H 103 4.237 4.237 4.442 -0.205 18431 8206 1 18 . 1 1 103 103 VAL CA C 103 61.956 61.956 61.574 0.383 18431 8207 1 18 . 1 1 103 103 VAL CB C 103 32.747 32.747 32.307 0.440 18431 8208 1 18 . 1 1 103 103 VAL H H 103 8.348 8.348 8.534 -0.186 18431 8209 1 19 . 1 1 9 9 ALA N N 9 123.345 123.345 125.811 -2.466 18431 8210 1 19 . 1 1 9 9 ALA HA H 9 4.549 4.549 4.407 0.142 18431 8211 1 19 . 1 1 9 9 ALA CA C 9 50.151 50.151 50.978 -0.827 18431 8212 1 19 . 1 1 9 9 ALA CB C 9 18.185 18.185 19.058 -0.873 18431 8213 1 19 . 1 1 9 9 ALA H H 9 7.992 7.992 8.246 -0.254 18431 8214 1 19 . 1 1 10 10 PRO HA H 10 4.299 4.299 4.205 0.094 18431 8215 1 19 . 1 1 10 10 PRO CA C 10 62.937 62.937 63.709 -0.772 18431 8216 1 19 . 1 1 10 10 PRO CB C 10 31.902 31.902 32.448 -0.546 18431 8217 1 19 . 1 1 11 11 ASN N N 11 117.877 117.877 112.441 5.436 18431 8218 1 19 . 1 1 11 11 ASN HA H 11 4.646 4.646 4.654 -0.008 18431 8219 1 19 . 1 1 11 11 ASN CA C 11 53.077 53.077 53.068 0.009 18431 8220 1 19 . 1 1 11 11 ASN CB C 11 38.590 38.590 39.388 -0.798 18431 8221 1 19 . 1 1 11 11 ASN H H 11 8.467 8.467 7.553 0.914 18431 8222 1 19 . 1 1 12 12 LEU N N 12 122.874 122.874 119.050 3.824 18431 8223 1 19 . 1 1 12 12 LEU HA H 12 4.290 4.290 5.020 -0.730 18431 8224 1 19 . 1 1 12 12 LEU CA C 12 55.170 55.170 55.633 -0.463 18431 8225 1 19 . 1 1 12 12 LEU CB C 12 42.131 42.131 42.737 -0.606 18431 8226 1 19 . 1 1 12 12 LEU H H 12 8.196 8.196 8.391 -0.195 18431 8227 1 19 . 1 1 13 13 ALA N N 13 123.854 123.854 121.907 1.947 18431 8228 1 19 . 1 1 13 13 ALA HA H 13 4.243 4.243 4.881 -0.638 18431 8229 1 19 . 1 1 13 13 ALA CA C 13 52.672 52.672 52.031 0.641 18431 8230 1 19 . 1 1 13 13 ALA CB C 13 18.923 18.923 20.128 -1.205 18431 8231 1 19 . 1 1 13 13 ALA H H 13 8.214 8.214 8.011 0.203 18431 8232 1 19 . 1 1 14 14 GLY N N 14 107.993 107.993 105.898 2.095 18431 8233 1 19 . 1 1 14 14 GLY CA C 14 44.989 44.989 45.497 -0.508 18431 8234 1 19 . 1 1 14 14 GLY H H 14 8.246 8.246 8.557 -0.311 18431 8235 1 19 . 1 1 15 15 ALA N N 15 123.594 123.594 120.193 3.401 18431 8236 1 19 . 1 1 15 15 ALA HA H 15 4.330 4.330 3.996 0.334 18431 8237 1 19 . 1 1 15 15 ALA CA C 15 52.147 52.147 52.350 -0.203 18431 8238 1 19 . 1 1 15 15 ALA CB C 15 18.941 18.941 17.193 1.748 18431 8239 1 19 . 1 1 15 15 ALA H H 15 8.017 8.017 8.225 -0.208 18431 8240 1 19 . 1 1 16 16 VAL N N 16 119.010 119.010 113.642 5.368 18431 8241 1 19 . 1 1 16 16 VAL HA H 16 4.036 4.036 3.820 0.216 18431 8242 1 19 . 1 1 16 16 VAL CA C 16 62.127 62.127 64.263 -2.136 18431 8243 1 19 . 1 1 16 16 VAL CB C 16 32.727 32.727 31.888 0.839 18431 8244 1 19 . 1 1 16 16 VAL H H 16 8.060 8.060 8.179 -0.119 18431 8245 1 19 . 1 1 17 17 GLU N N 17 124.211 124.211 119.469 4.742 18431 8246 1 19 . 1 1 17 17 GLU HA H 17 4.429 4.429 4.401 0.028 18431 8247 1 19 . 1 1 17 17 GLU CA C 17 57.429 57.429 55.348 2.081 18431 8248 1 19 . 1 1 17 17 GLU CB C 17 29.421 29.421 30.271 -0.850 18431 8249 1 19 . 1 1 17 17 GLU H H 17 8.436 8.436 7.882 0.554 18431 8250 1 19 . 1 1 18 18 PHE HA H 18 4.291 4.291 4.251 0.040 18431 8251 1 19 . 1 1 18 18 PHE CA C 18 60.955 60.955 60.225 0.730 18431 8252 1 19 . 1 1 18 18 PHE CB C 18 38.464 38.464 39.207 -0.743 18431 8253 1 19 . 1 1 19 19 SER N N 19 112.147 112.147 114.117 -1.970 18431 8254 1 19 . 1 1 19 19 SER HA H 19 3.659 3.659 3.896 -0.237 18431 8255 1 19 . 1 1 19 19 SER CA C 19 61.576 61.576 62.017 -0.441 18431 8256 1 19 . 1 1 19 19 SER CB C 19 61.649 61.649 62.243 -0.594 18431 8257 1 19 . 1 1 19 19 SER H H 19 8.871 8.871 8.348 0.523 18431 8258 1 19 . 1 1 20 20 ASP N N 20 120.916 120.916 121.601 -0.685 18431 8259 1 19 . 1 1 20 20 ASP HA H 20 4.492 4.492 4.407 0.085 18431 8260 1 19 . 1 1 20 20 ASP CA C 20 56.696 56.696 57.145 -0.449 18431 8261 1 19 . 1 1 20 20 ASP CB C 20 40.543 40.543 40.282 0.260 18431 8262 1 19 . 1 1 20 20 ASP H H 20 7.019 7.019 7.623 -0.604 18431 8263 1 19 . 1 1 21 21 VAL HA H 21 3.224 3.224 3.575 -0.351 18431 8264 1 19 . 1 1 21 21 VAL CA C 21 66.801 66.801 66.235 0.566 18431 8265 1 19 . 1 1 21 21 VAL CB C 21 31.741 31.741 31.421 0.320 18431 8266 1 19 . 1 1 22 22 LYS HA H 22 3.435 3.435 3.849 -0.413 18431 8267 1 19 . 1 1 22 22 LYS CA C 22 60.282 60.282 59.439 0.843 18431 8268 1 19 . 1 1 22 22 LYS CB C 22 31.283 31.283 31.759 -0.476 18431 8269 1 19 . 1 1 23 23 THR N N 23 116.224 116.224 117.079 -0.855 18431 8270 1 19 . 1 1 23 23 THR HA H 23 3.796 3.796 4.106 -0.310 18431 8271 1 19 . 1 1 23 23 THR CA C 23 66.591 66.591 67.687 -1.096 18431 8272 1 19 . 1 1 23 23 THR CB C 23 68.361 68.361 68.683 -0.322 18431 8273 1 19 . 1 1 23 23 THR H H 23 7.391 7.391 7.395 -0.004 18431 8274 1 19 . 1 1 24 24 LEU HA H 24 4.022 4.022 4.440 -0.418 18431 8275 1 19 . 1 1 24 24 LEU CA C 24 57.911 57.911 58.333 -0.422 18431 8276 1 19 . 1 1 24 24 LEU CB C 24 42.110 42.110 41.103 1.007 18431 8277 1 19 . 1 1 24 24 LEU H H 24 7.699 7.699 7.644 0.055 18431 8278 1 19 . 1 1 25 25 LEU N N 25 118.389 118.389 118.892 -0.503 18431 8279 1 19 . 1 1 25 25 LEU HA H 25 4.135 4.135 4.243 -0.108 18431 8280 1 19 . 1 1 25 25 LEU CA C 25 57.864 57.864 57.678 0.186 18431 8281 1 19 . 1 1 25 25 LEU CB C 25 42.653 42.653 41.814 0.839 18431 8282 1 19 . 1 1 25 25 LEU H H 25 8.331 8.331 7.889 0.442 18431 8283 1 19 . 1 1 26 26 LYS N N 26 118.433 118.433 119.019 -0.586 18431 8284 1 19 . 1 1 26 26 LYS HA H 26 3.833 3.833 4.007 -0.174 18431 8285 1 19 . 1 1 26 26 LYS CA C 26 60.095 60.095 59.122 0.973 18431 8286 1 19 . 1 1 26 26 LYS CB C 26 31.623 31.623 32.767 -1.144 18431 8287 1 19 . 1 1 26 26 LYS H H 26 8.464 8.464 7.708 0.756 18431 8288 1 19 . 1 1 27 27 GLU N N 27 120.838 120.838 120.112 0.726 18431 8289 1 19 . 1 1 27 27 GLU HA H 27 3.945 3.945 4.046 -0.101 18431 8290 1 19 . 1 1 27 27 GLU CA C 27 59.509 59.509 58.825 0.684 18431 8291 1 19 . 1 1 27 27 GLU CB C 27 29.199 29.199 28.951 0.248 18431 8292 1 19 . 1 1 27 27 GLU H H 27 8.246 8.246 8.851 -0.605 18431 8293 1 19 . 1 1 28 28 TRP N N 28 122.200 122.200 120.841 1.359 18431 8294 1 19 . 1 1 28 28 TRP HA H 28 4.597 4.597 4.556 0.041 18431 8295 1 19 . 1 1 28 28 TRP CA C 28 59.443 59.443 60.346 -0.903 18431 8296 1 19 . 1 1 28 28 TRP CB C 28 29.083 29.083 29.631 -0.548 18431 8297 1 19 . 1 1 28 28 TRP H H 28 8.143 8.143 7.879 0.264 18431 8298 1 19 . 1 1 29 29 ILE N N 29 114.954 114.954 117.199 -2.245 18431 8299 1 19 . 1 1 29 29 ILE HA H 29 2.742 2.742 3.507 -0.765 18431 8300 1 19 . 1 1 29 29 ILE CA C 29 62.759 62.759 62.572 0.187 18431 8301 1 19 . 1 1 29 29 ILE CB C 29 37.992 37.992 38.447 -0.455 18431 8302 1 19 . 1 1 29 29 ILE H H 29 7.999 7.999 7.631 0.368 18431 8303 1 19 . 1 1 30 30 THR N N 30 106.869 106.869 111.800 -4.931 18431 8304 1 19 . 1 1 30 30 THR HA H 30 4.117 4.117 4.187 -0.070 18431 8305 1 19 . 1 1 30 30 THR CA C 30 63.447 63.447 64.180 -0.733 18431 8306 1 19 . 1 1 30 30 THR CB C 30 70.045 70.045 69.540 0.505 18431 8307 1 19 . 1 1 30 30 THR H H 30 7.622 7.622 7.671 -0.049 18431 8308 1 19 . 1 1 31 31 THR N N 31 111.890 111.890 115.395 -3.505 18431 8309 1 19 . 1 1 31 31 THR HA H 31 4.503 4.503 4.136 0.367 18431 8310 1 19 . 1 1 31 31 THR CA C 31 63.231 63.231 64.812 -1.581 18431 8311 1 19 . 1 1 31 31 THR CB C 31 70.556 70.556 69.191 1.365 18431 8312 1 19 . 1 1 31 31 THR H H 31 7.588 7.588 7.997 -0.409 18431 8313 1 19 . 1 1 32 32 ILE N N 32 123.663 123.663 120.414 3.249 18431 8314 1 19 . 1 1 32 32 ILE HA H 32 4.499 4.499 4.343 0.156 18431 8315 1 19 . 1 1 32 32 ILE CA C 32 59.426 59.426 58.521 0.905 18431 8316 1 19 . 1 1 32 32 ILE CB C 32 37.378 37.378 39.207 -1.829 18431 8317 1 19 . 1 1 32 32 ILE H H 32 7.929 7.929 7.348 0.581 18431 8318 1 19 . 1 1 33 33 SER N N 33 119.544 119.544 120.863 -1.319 18431 8319 1 19 . 1 1 33 33 SER HA H 33 4.523 4.523 4.718 -0.195 18431 8320 1 19 . 1 1 33 33 SER CA C 33 59.189 59.189 57.295 1.893 18431 8321 1 19 . 1 1 33 33 SER CB C 33 63.838 63.838 64.719 -0.881 18431 8322 1 19 . 1 1 33 33 SER H H 33 8.418 8.418 8.444 -0.026 18431 8323 1 19 . 1 1 34 34 ASP HA H 34 4.821 4.821 4.222 0.599 18431 8324 1 19 . 1 1 34 34 ASP CA C 34 51.168 51.168 54.319 -3.151 18431 8325 1 19 . 1 1 34 34 ASP CB C 34 41.139 41.139 40.004 1.135 18431 8326 1 19 . 1 1 34 34 ASP H H 34 7.730 7.730 8.993 -1.263 18431 8327 1 19 . 1 1 35 35 PRO HA H 35 4.167 4.167 4.274 -0.107 18431 8328 1 19 . 1 1 35 35 PRO CA C 35 62.085 62.085 62.787 -0.702 18431 8329 1 19 . 1 1 35 35 PRO CB C 35 31.767 31.767 32.532 -0.765 18431 8330 1 19 . 1 1 36 36 MET N N 36 121.309 121.309 117.977 3.332 18431 8331 1 19 . 1 1 36 36 MET HA H 36 4.565 4.565 4.644 -0.079 18431 8332 1 19 . 1 1 36 36 MET CA C 36 53.867 53.867 54.228 -0.361 18431 8333 1 19 . 1 1 36 36 MET CB C 36 32.411 32.411 35.154 -2.743 18431 8334 1 19 . 1 1 36 36 MET H H 36 9.165 9.165 8.784 0.381 18431 8335 1 19 . 1 1 37 37 GLU N N 37 125.284 125.284 120.912 4.372 18431 8336 1 19 . 1 1 37 37 GLU HA H 37 3.744 3.744 3.809 -0.065 18431 8337 1 19 . 1 1 37 37 GLU CA C 37 60.307 60.307 59.671 0.636 18431 8338 1 19 . 1 1 37 37 GLU CB C 37 29.448 29.448 28.808 0.640 18431 8339 1 19 . 1 1 37 37 GLU H H 37 9.034 9.034 8.874 0.160 18431 8340 1 19 . 1 1 38 38 GLU N N 38 116.000 116.000 117.894 -1.894 18431 8341 1 19 . 1 1 38 38 GLU HA H 38 4.003 4.003 4.032 -0.029 18431 8342 1 19 . 1 1 38 38 GLU CA C 38 59.588 59.588 59.040 0.548 18431 8343 1 19 . 1 1 38 38 GLU CB C 38 29.280 29.280 28.831 0.449 18431 8344 1 19 . 1 1 38 38 GLU H H 38 9.356 9.356 8.779 0.577 18431 8345 1 19 . 1 1 39 39 ASP N N 39 118.974 118.974 120.333 -1.359 18431 8346 1 19 . 1 1 39 39 ASP HA H 39 4.493 4.493 4.465 0.028 18431 8347 1 19 . 1 1 39 39 ASP CA C 39 57.231 57.231 57.896 -0.665 18431 8348 1 19 . 1 1 39 39 ASP CB C 39 41.226 41.226 40.672 0.554 18431 8349 1 19 . 1 1 39 39 ASP H H 39 7.169 7.169 7.999 -0.830 18431 8350 1 19 . 1 1 40 40 ILE N N 40 120.269 120.269 118.570 1.699 18431 8351 1 19 . 1 1 40 40 ILE HA H 40 3.845 3.845 4.009 -0.164 18431 8352 1 19 . 1 1 40 40 ILE CA C 40 65.345 65.345 64.635 0.710 18431 8353 1 19 . 1 1 40 40 ILE CB C 40 37.500 37.500 38.228 -0.728 18431 8354 1 19 . 1 1 40 40 ILE H H 40 7.766 7.766 7.319 0.447 18431 8355 1 19 . 1 1 41 41 LEU N N 41 118.715 118.715 119.614 -0.899 18431 8356 1 19 . 1 1 41 41 LEU HA H 41 4.131 4.131 4.041 0.090 18431 8357 1 19 . 1 1 41 41 LEU CA C 41 57.835 57.835 57.631 0.204 18431 8358 1 19 . 1 1 41 41 LEU CB C 41 40.819 40.819 41.168 -0.349 18431 8359 1 19 . 1 1 41 41 LEU H H 41 8.726 8.726 7.331 1.395 18431 8360 1 19 . 1 1 42 42 GLN N N 42 119.539 119.539 118.583 0.956 18431 8361 1 19 . 1 1 42 42 GLN HA H 42 4.177 4.177 4.068 0.109 18431 8362 1 19 . 1 1 42 42 GLN CA C 42 59.241 59.241 59.028 0.213 18431 8363 1 19 . 1 1 42 42 GLN CB C 42 28.518 28.518 28.816 -0.298 18431 8364 1 19 . 1 1 42 42 GLN H H 42 7.768 7.768 7.772 -0.004 18431 8365 1 19 . 1 1 43 43 VAL N N 43 121.194 121.194 116.283 4.911 18431 8366 1 19 . 1 1 43 43 VAL HA H 43 3.787 3.787 3.710 0.077 18431 8367 1 19 . 1 1 43 43 VAL CA C 43 66.760 66.760 65.920 0.840 18431 8368 1 19 . 1 1 43 43 VAL CB C 43 31.423 31.423 31.376 0.047 18431 8369 1 19 . 1 1 43 43 VAL H H 43 7.712 7.712 7.444 0.268 18431 8370 1 19 . 1 1 44 44 VAL N N 44 120.876 120.876 119.560 1.316 18431 8371 1 19 . 1 1 44 44 VAL HA H 44 3.422 3.422 3.832 -0.410 18431 8372 1 19 . 1 1 44 44 VAL CA C 44 67.910 67.910 66.045 1.865 18431 8373 1 19 . 1 1 44 44 VAL CB C 44 31.392 31.392 31.036 0.356 18431 8374 1 19 . 1 1 44 44 VAL H H 44 8.232 8.232 7.836 0.396 18431 8375 1 19 . 1 1 45 45 ARG N N 45 120.934 120.934 119.933 1.001 18431 8376 1 19 . 1 1 45 45 ARG HA H 45 4.148 4.148 4.058 0.090 18431 8377 1 19 . 1 1 45 45 ARG CA C 45 58.593 58.593 58.761 -0.169 18431 8378 1 19 . 1 1 45 45 ARG CB C 45 29.608 29.608 29.499 0.109 18431 8379 1 19 . 1 1 45 45 ARG H H 45 8.489 8.489 7.756 0.733 18431 8380 1 19 . 1 1 46 46 TYR N N 46 120.548 120.548 121.143 -0.595 18431 8381 1 19 . 1 1 46 46 TYR HA H 46 4.547 4.547 4.336 0.211 18431 8382 1 19 . 1 1 46 46 TYR CA C 46 60.926 60.926 61.007 -0.081 18431 8383 1 19 . 1 1 46 46 TYR CB C 46 38.447 38.447 38.109 0.338 18431 8384 1 19 . 1 1 46 46 TYR H H 46 7.870 7.870 7.498 0.372 18431 8385 1 19 . 1 1 47 47 CYS N N 47 115.132 115.132 118.448 -3.316 18431 8386 1 19 . 1 1 47 47 CYS HA H 47 3.738 3.738 3.671 0.067 18431 8387 1 19 . 1 1 47 47 CYS CA C 47 64.313 64.313 64.299 0.014 18431 8388 1 19 . 1 1 47 47 CYS CB C 47 27.744 27.744 27.578 0.167 18431 8389 1 19 . 1 1 47 47 CYS H H 47 8.109 8.109 7.789 0.320 18431 8390 1 19 . 1 1 48 48 THR N N 48 114.153 114.153 114.688 -0.535 18431 8391 1 19 . 1 1 48 48 THR HA H 48 3.877 3.877 4.044 -0.167 18431 8392 1 19 . 1 1 48 48 THR CA C 48 66.755 66.755 66.405 0.350 18431 8393 1 19 . 1 1 48 48 THR CB C 48 67.593 67.593 67.851 -0.258 18431 8394 1 19 . 1 1 48 48 THR H H 48 8.776 8.776 8.246 0.530 18431 8395 1 19 . 1 1 49 49 ASP N N 49 126.528 126.528 120.757 5.771 18431 8396 1 19 . 1 1 49 49 ASP HA H 49 4.425 4.425 4.600 -0.175 18431 8397 1 19 . 1 1 49 49 ASP CA C 49 57.688 57.688 56.439 1.249 18431 8398 1 19 . 1 1 49 49 ASP CB C 49 39.249 39.249 40.813 -1.564 18431 8399 1 19 . 1 1 49 49 ASP H H 49 8.697 8.697 7.589 1.108 18431 8400 1 19 . 1 1 50 50 LEU HA H 50 3.924 3.924 4.188 -0.264 18431 8401 1 19 . 1 1 50 50 LEU CA C 50 58.157 58.157 57.261 0.896 18431 8402 1 19 . 1 1 50 50 LEU CB C 50 41.408 41.408 42.143 -0.735 18431 8403 1 19 . 1 1 51 51 ILE N N 51 118.832 118.832 117.410 1.422 18431 8404 1 19 . 1 1 51 51 ILE HA H 51 3.417 3.417 3.726 -0.309 18431 8405 1 19 . 1 1 51 51 ILE CA C 51 66.261 66.261 65.229 1.032 18431 8406 1 19 . 1 1 51 51 ILE CB C 51 37.691 37.691 37.391 0.300 18431 8407 1 19 . 1 1 51 51 ILE H H 51 7.639 7.639 7.648 -0.009 18431 8408 1 19 . 1 1 52 52 GLU N N 52 123.247 123.247 119.353 3.894 18431 8409 1 19 . 1 1 52 52 GLU HA H 52 4.001 4.001 4.164 -0.163 18431 8410 1 19 . 1 1 52 52 GLU CA C 52 59.592 59.592 58.632 0.960 18431 8411 1 19 . 1 1 52 52 GLU CB C 52 29.068 29.068 29.203 -0.135 18431 8412 1 19 . 1 1 52 52 GLU H H 52 8.506 8.506 8.164 0.342 18431 8413 1 19 . 1 1 53 53 GLU N N 53 116.384 116.384 116.241 0.143 18431 8414 1 19 . 1 1 53 53 GLU HA H 53 4.294 4.294 4.451 -0.157 18431 8415 1 19 . 1 1 53 53 GLU CA C 53 55.907 55.907 55.790 0.117 18431 8416 1 19 . 1 1 53 53 GLU CB C 53 29.710 29.710 29.727 -0.017 18431 8417 1 19 . 1 1 53 53 GLU H H 53 7.716 7.716 7.597 0.119 18431 8418 1 19 . 1 1 54 54 LYS N N 54 116.934 116.934 114.547 2.387 18431 8419 1 19 . 1 1 54 54 LYS HA H 54 3.662 3.662 3.966 -0.304 18431 8420 1 19 . 1 1 54 54 LYS CA C 54 57.278 57.278 58.085 -0.807 18431 8421 1 19 . 1 1 54 54 LYS CB C 54 29.785 29.785 30.216 -0.431 18431 8422 1 19 . 1 1 54 54 LYS H H 54 8.089 8.089 7.515 0.574 18431 8423 1 19 . 1 1 55 55 ASP N N 55 122.549 122.549 118.979 3.570 18431 8424 1 19 . 1 1 55 55 ASP HA H 55 5.058 5.058 4.797 0.261 18431 8425 1 19 . 1 1 55 55 ASP CA C 55 51.306 51.306 53.964 -2.658 18431 8426 1 19 . 1 1 55 55 ASP CB C 55 38.856 38.856 40.038 -1.182 18431 8427 1 19 . 1 1 55 55 ASP H H 55 8.497 8.497 8.477 0.020 18431 8428 1 19 . 1 1 56 56 LEU N N 56 119.627 119.627 116.595 3.032 18431 8429 1 19 . 1 1 56 56 LEU HA H 56 3.901 3.901 4.369 -0.468 18431 8430 1 19 . 1 1 56 56 LEU CA C 56 56.528 56.528 55.245 1.283 18431 8431 1 19 . 1 1 56 56 LEU CB C 56 40.034 40.034 40.376 -0.342 18431 8432 1 19 . 1 1 56 56 LEU H H 56 7.578 7.578 7.881 -0.303 18431 8433 1 19 . 1 1 57 57 GLU N N 57 121.433 121.433 121.321 0.112 18431 8434 1 19 . 1 1 57 57 GLU HA H 57 4.041 4.041 3.875 0.166 18431 8435 1 19 . 1 1 57 57 GLU CA C 57 59.321 59.321 59.903 -0.582 18431 8436 1 19 . 1 1 57 57 GLU CB C 57 29.229 29.229 28.901 0.328 18431 8437 1 19 . 1 1 57 57 GLU H H 57 8.614 8.614 8.452 0.162 18431 8438 1 19 . 1 1 58 58 LYS N N 58 119.832 119.832 117.982 1.850 18431 8439 1 19 . 1 1 58 58 LYS HA H 58 3.760 3.760 3.884 -0.124 18431 8440 1 19 . 1 1 58 58 LYS CA C 58 59.273 59.273 58.167 1.106 18431 8441 1 19 . 1 1 58 58 LYS CB C 58 32.370 32.370 32.085 0.285 18431 8442 1 19 . 1 1 58 58 LYS H H 58 7.527 7.527 7.732 -0.205 18431 8443 1 19 . 1 1 59 59 LEU N N 59 117.844 117.844 121.926 -4.082 18431 8444 1 19 . 1 1 59 59 LEU HA H 59 3.912 3.912 4.014 -0.102 18431 8445 1 19 . 1 1 59 59 LEU CA C 59 57.865 57.865 57.939 -0.074 18431 8446 1 19 . 1 1 59 59 LEU CB C 59 41.382 41.382 41.490 -0.108 18431 8447 1 19 . 1 1 59 59 LEU H H 59 7.570 7.570 7.680 -0.110 18431 8448 1 19 . 1 1 60 60 ASP N N 60 117.630 117.630 118.483 -0.853 18431 8449 1 19 . 1 1 60 60 ASP HA H 60 4.273 4.273 4.311 -0.038 18431 8450 1 19 . 1 1 60 60 ASP CA C 60 57.695 57.695 58.083 -0.388 18431 8451 1 19 . 1 1 60 60 ASP CB C 60 42.074 42.074 40.651 1.423 18431 8452 1 19 . 1 1 60 60 ASP H H 60 7.849 7.849 8.118 -0.269 18431 8453 1 19 . 1 1 61 61 LEU N N 61 116.500 116.500 118.662 -2.162 18431 8454 1 19 . 1 1 61 61 LEU HA H 61 3.924 3.924 4.131 -0.207 18431 8455 1 19 . 1 1 61 61 LEU CA C 61 57.886 57.886 56.977 0.909 18431 8456 1 19 . 1 1 61 61 LEU CB C 61 41.825 41.825 41.609 0.216 18431 8457 1 19 . 1 1 61 61 LEU H H 61 7.484 7.484 7.397 0.087 18431 8458 1 19 . 1 1 62 62 VAL N N 62 120.681 120.681 119.391 1.290 18431 8459 1 19 . 1 1 62 62 VAL HA H 62 3.963 3.963 3.936 0.027 18431 8460 1 19 . 1 1 62 62 VAL CA C 62 66.843 66.843 66.487 0.356 18431 8461 1 19 . 1 1 62 62 VAL CB C 62 31.954 31.954 31.361 0.593 18431 8462 1 19 . 1 1 62 62 VAL H H 62 8.682 8.682 7.286 1.396 18431 8463 1 19 . 1 1 63 63 ILE N N 63 122.448 122.448 117.664 4.784 18431 8464 1 19 . 1 1 63 63 ILE HA H 63 3.995 3.995 3.898 0.097 18431 8465 1 19 . 1 1 63 63 ILE CA C 63 63.777 63.777 63.717 0.060 18431 8466 1 19 . 1 1 63 63 ILE CB C 63 35.707 35.707 36.168 -0.461 18431 8467 1 19 . 1 1 63 63 ILE H H 63 8.824 8.824 8.107 0.717 18431 8468 1 19 . 1 1 64 64 LYS N N 64 118.898 118.898 118.958 -0.060 18431 8469 1 19 . 1 1 64 64 LYS HA H 64 3.889 3.889 4.140 -0.251 18431 8470 1 19 . 1 1 64 64 LYS CA C 64 60.416 60.416 59.392 1.024 18431 8471 1 19 . 1 1 64 64 LYS CB C 64 32.563 32.563 32.237 0.326 18431 8472 1 19 . 1 1 64 64 LYS H H 64 8.368 8.368 7.633 0.735 18431 8473 1 19 . 1 1 65 65 TYR N N 65 121.217 121.217 121.929 -0.712 18431 8474 1 19 . 1 1 65 65 TYR HA H 65 4.330 4.330 4.387 -0.057 18431 8475 1 19 . 1 1 65 65 TYR CA C 65 61.779 61.779 60.627 1.152 18431 8476 1 19 . 1 1 65 65 TYR CB C 65 38.898 38.898 38.894 0.004 18431 8477 1 19 . 1 1 65 65 TYR H H 65 8.200 8.200 7.869 0.331 18431 8478 1 19 . 1 1 66 66 MET N N 66 116.741 116.741 117.904 -1.163 18431 8479 1 19 . 1 1 66 66 MET HA H 66 3.682 3.682 4.113 -0.431 18431 8480 1 19 . 1 1 66 66 MET CA C 66 60.444 60.444 59.031 1.413 18431 8481 1 19 . 1 1 66 66 MET CB C 66 33.627 33.627 33.367 0.259 18431 8482 1 19 . 1 1 66 66 MET H H 66 8.681 8.681 8.705 -0.024 18431 8483 1 19 . 1 1 67 67 LYS N N 67 119.826 119.826 118.180 1.646 18431 8484 1 19 . 1 1 67 67 LYS HA H 67 2.637 2.637 2.912 -0.275 18431 8485 1 19 . 1 1 67 67 LYS CA C 67 59.949 59.949 58.742 1.207 18431 8486 1 19 . 1 1 67 67 LYS CB C 67 32.596 32.596 31.645 0.951 18431 8487 1 19 . 1 1 67 67 LYS H H 67 8.563 8.563 8.039 0.524 18431 8488 1 19 . 1 1 68 68 ARG N N 68 116.343 116.343 118.660 -2.317 18431 8489 1 19 . 1 1 68 68 ARG HA H 68 3.859 3.859 4.414 -0.555 18431 8490 1 19 . 1 1 68 68 ARG CA C 68 58.254 58.254 58.081 0.173 18431 8491 1 19 . 1 1 68 68 ARG CB C 68 29.605 29.605 29.977 -0.372 18431 8492 1 19 . 1 1 68 68 ARG H H 68 7.117 7.117 7.453 -0.336 18431 8493 1 19 . 1 1 69 69 LEU N N 69 116.573 116.573 120.956 -4.383 18431 8494 1 19 . 1 1 69 69 LEU HA H 69 3.847 3.847 3.918 -0.071 18431 8495 1 19 . 1 1 69 69 LEU CA C 69 56.861 56.861 56.992 -0.131 18431 8496 1 19 . 1 1 69 69 LEU CB C 69 42.950 42.950 42.059 0.892 18431 8497 1 19 . 1 1 69 69 LEU H H 69 7.360 7.360 7.364 -0.004 18431 8498 1 19 . 1 1 70 70 MET N N 70 115.874 115.874 115.712 0.162 18431 8499 1 19 . 1 1 70 70 MET HA H 70 3.823 3.823 3.885 -0.062 18431 8500 1 19 . 1 1 70 70 MET CA C 70 59.195 59.195 57.481 1.714 18431 8501 1 19 . 1 1 70 70 MET CB C 70 32.315 32.315 31.913 0.402 18431 8502 1 19 . 1 1 70 70 MET H H 70 8.769 8.769 7.645 1.124 18431 8503 1 19 . 1 1 71 71 GLN N N 71 114.286 114.286 116.380 -2.094 18431 8504 1 19 . 1 1 71 71 GLN HA H 71 4.416 4.416 3.976 0.440 18431 8505 1 19 . 1 1 71 71 GLN CA C 71 56.527 56.527 58.130 -1.603 18431 8506 1 19 . 1 1 71 71 GLN CB C 71 27.446 27.446 29.080 -1.634 18431 8507 1 19 . 1 1 71 71 GLN H H 71 7.522 7.522 7.498 0.024 18431 8508 1 19 . 1 1 72 72 GLN N N 72 117.645 117.645 115.324 2.321 18431 8509 1 19 . 1 1 72 72 GLN HA H 72 4.198 4.198 4.092 0.106 18431 8510 1 19 . 1 1 72 72 GLN CA C 72 56.549 56.549 56.629 -0.080 18431 8511 1 19 . 1 1 72 72 GLN CB C 72 28.824 28.824 28.224 0.600 18431 8512 1 19 . 1 1 72 72 GLN H H 72 7.279 7.279 7.629 -0.350 18431 8513 1 19 . 1 1 73 73 SER N N 73 113.600 113.600 114.779 -1.179 18431 8514 1 19 . 1 1 73 73 SER HA H 73 4.504 4.504 4.347 0.157 18431 8515 1 19 . 1 1 73 73 SER CA C 73 57.600 57.600 58.060 -0.460 18431 8516 1 19 . 1 1 73 73 SER CB C 73 63.542 63.542 64.086 -0.544 18431 8517 1 19 . 1 1 73 73 SER H H 73 7.588 7.588 7.335 0.253 18431 8518 1 19 . 1 1 74 74 VAL N N 74 121.652 121.652 117.706 3.946 18431 8519 1 19 . 1 1 74 74 VAL HA H 74 4.136 4.136 4.248 -0.112 18431 8520 1 19 . 1 1 74 74 VAL CA C 74 62.985 62.985 62.702 0.284 18431 8521 1 19 . 1 1 74 74 VAL CB C 74 31.797 31.797 32.252 -0.455 18431 8522 1 19 . 1 1 74 74 VAL H H 74 8.300 8.300 8.201 0.099 18431 8523 1 19 . 1 1 75 75 GLU N N 75 120.481 120.481 122.602 -2.121 18431 8524 1 19 . 1 1 75 75 GLU HA H 75 4.415 4.415 4.371 0.044 18431 8525 1 19 . 1 1 75 75 GLU CA C 75 56.061 56.061 57.020 -0.959 18431 8526 1 19 . 1 1 75 75 GLU CB C 75 29.153 29.153 29.234 -0.081 18431 8527 1 19 . 1 1 75 75 GLU H H 75 8.486 8.486 8.431 0.055 18431 8528 1 19 . 1 1 76 76 SER HA H 76 4.498 4.498 4.140 0.358 18431 8529 1 19 . 1 1 76 76 SER CA C 76 59.426 59.426 62.336 -2.910 18431 8530 1 19 . 1 1 76 76 SER CB C 76 64.071 64.071 63.054 1.017 18431 8531 1 19 . 1 1 76 76 SER H H 76 8.142 8.142 8.804 -0.662 18431 8532 1 19 . 1 1 77 77 VAL N N 77 122.712 122.712 121.203 1.509 18431 8533 1 19 . 1 1 77 77 VAL HA H 77 4.036 4.036 3.722 0.314 18431 8534 1 19 . 1 1 77 77 VAL CA C 77 64.600 64.600 66.006 -1.406 18431 8535 1 19 . 1 1 77 77 VAL CB C 77 30.843 30.843 31.591 -0.748 18431 8536 1 19 . 1 1 77 77 VAL H H 77 8.750 8.750 8.171 0.579 18431 8537 1 19 . 1 1 78 78 TRP N N 78 121.247 121.247 119.312 1.935 18431 8538 1 19 . 1 1 78 78 TRP HA H 78 4.507 4.507 4.334 0.173 18431 8539 1 19 . 1 1 78 78 TRP CA C 78 59.753 59.753 60.692 -0.939 18431 8540 1 19 . 1 1 78 78 TRP CB C 78 29.332 29.332 29.382 -0.050 18431 8541 1 19 . 1 1 78 78 TRP H H 78 7.837 7.837 7.660 0.177 18431 8542 1 19 . 1 1 79 79 ASN N N 79 119.032 119.032 118.548 0.484 18431 8543 1 19 . 1 1 79 79 ASN HA H 79 4.382 4.382 4.555 -0.173 18431 8544 1 19 . 1 1 79 79 ASN CA C 79 57.406 57.406 56.869 0.537 18431 8545 1 19 . 1 1 79 79 ASN CB C 79 38.813 38.813 38.599 0.214 18431 8546 1 19 . 1 1 79 79 ASN H H 79 7.856 7.856 8.189 -0.333 18431 8547 1 19 . 1 1 80 80 MET N N 80 117.280 117.280 118.691 -1.411 18431 8548 1 19 . 1 1 80 80 MET HA H 80 4.383 4.383 4.310 0.073 18431 8549 1 19 . 1 1 80 80 MET CA C 80 58.111 58.111 58.950 -0.839 18431 8550 1 19 . 1 1 80 80 MET CB C 80 32.350 32.350 32.543 -0.193 18431 8551 1 19 . 1 1 80 80 MET H H 80 7.765 7.765 8.715 -0.950 18431 8552 1 19 . 1 1 81 81 ALA N N 81 123.582 123.582 122.900 0.682 18431 8553 1 19 . 1 1 81 81 ALA HA H 81 4.220 4.220 4.094 0.126 18431 8554 1 19 . 1 1 81 81 ALA CA C 81 54.997 54.997 55.248 -0.251 18431 8555 1 19 . 1 1 81 81 ALA CB C 81 17.615 17.615 17.937 -0.322 18431 8556 1 19 . 1 1 81 81 ALA H H 81 8.019 8.019 7.994 0.025 18431 8557 1 19 . 1 1 82 82 PHE N N 82 117.853 117.853 119.061 -1.208 18431 8558 1 19 . 1 1 82 82 PHE HA H 82 4.201 4.201 4.233 -0.032 18431 8559 1 19 . 1 1 82 82 PHE CA C 82 62.679 62.679 60.520 2.159 18431 8560 1 19 . 1 1 82 82 PHE CB C 82 38.078 38.078 38.948 -0.870 18431 8561 1 19 . 1 1 82 82 PHE H H 82 8.455 8.455 8.001 0.454 18431 8562 1 19 . 1 1 83 83 ASP N N 83 118.244 118.244 119.870 -1.626 18431 8563 1 19 . 1 1 83 83 ASP HA H 83 4.250 4.250 3.927 0.323 18431 8564 1 19 . 1 1 83 83 ASP CA C 83 57.602 57.602 57.579 0.023 18431 8565 1 19 . 1 1 83 83 ASP CB C 83 40.117 40.117 40.764 -0.647 18431 8566 1 19 . 1 1 83 83 ASP H H 83 7.615 7.615 7.801 -0.186 18431 8567 1 19 . 1 1 84 84 PHE N N 84 120.090 120.090 120.430 -0.340 18431 8568 1 19 . 1 1 84 84 PHE HA H 84 4.319 4.319 4.232 0.087 18431 8569 1 19 . 1 1 84 84 PHE CA C 84 61.110 61.110 61.345 -0.235 18431 8570 1 19 . 1 1 84 84 PHE CB C 84 39.225 39.225 39.487 -0.262 18431 8571 1 19 . 1 1 84 84 PHE H H 84 7.849 7.849 7.637 0.212 18431 8572 1 19 . 1 1 85 85 ILE N N 85 122.915 122.915 120.190 2.725 18431 8573 1 19 . 1 1 85 85 ILE HA H 85 3.372 3.372 3.587 -0.215 18431 8574 1 19 . 1 1 85 85 ILE CA C 85 65.864 65.864 66.125 -0.261 18431 8575 1 19 . 1 1 85 85 ILE CB C 85 38.422 38.422 38.015 0.407 18431 8576 1 19 . 1 1 85 85 ILE H H 85 8.687 8.687 8.677 0.010 18431 8577 1 19 . 1 1 86 86 LEU N N 86 119.481 119.481 117.902 1.579 18431 8578 1 19 . 1 1 86 86 LEU HA H 86 3.715 3.715 3.918 -0.203 18431 8579 1 19 . 1 1 86 86 LEU CA C 86 57.875 57.875 58.385 -0.510 18431 8580 1 19 . 1 1 86 86 LEU CB C 86 40.602 40.602 40.733 -0.131 18431 8581 1 19 . 1 1 86 86 LEU H H 86 8.682 8.682 8.315 0.367 18431 8582 1 19 . 1 1 87 87 ASP N N 87 118.290 118.290 118.962 -0.672 18431 8583 1 19 . 1 1 87 87 ASP HA H 87 4.255 4.255 4.248 0.007 18431 8584 1 19 . 1 1 87 87 ASP CA C 87 57.604 57.604 56.981 0.623 18431 8585 1 19 . 1 1 87 87 ASP CB C 87 40.580 40.580 40.508 0.073 18431 8586 1 19 . 1 1 87 87 ASP H H 87 8.301 8.301 7.675 0.626 18431 8587 1 19 . 1 1 88 88 ASN N N 88 115.606 115.606 118.016 -2.410 18431 8588 1 19 . 1 1 88 88 ASN HA H 88 4.139 4.139 4.374 -0.235 18431 8589 1 19 . 1 1 88 88 ASN CA C 88 57.067 57.067 56.060 1.007 18431 8590 1 19 . 1 1 88 88 ASN CB C 88 39.734 39.734 39.056 0.679 18431 8591 1 19 . 1 1 88 88 ASN H H 88 7.421 7.421 7.880 -0.459 18431 8592 1 19 . 1 1 89 89 VAL N N 89 120.092 120.092 117.150 2.942 18431 8593 1 19 . 1 1 89 89 VAL HA H 89 3.421 3.421 3.862 -0.441 18431 8594 1 19 . 1 1 89 89 VAL CA C 89 66.777 66.777 65.617 1.160 18431 8595 1 19 . 1 1 89 89 VAL CB C 89 31.592 31.592 31.659 -0.067 18431 8596 1 19 . 1 1 89 89 VAL H H 89 8.367 8.367 8.100 0.267 18431 8597 1 19 . 1 1 90 90 GLN N N 90 118.315 118.315 117.986 0.329 18431 8598 1 19 . 1 1 90 90 GLN HA H 90 4.427 4.427 4.140 0.287 18431 8599 1 19 . 1 1 90 90 GLN CA C 90 58.918 58.918 58.177 0.741 18431 8600 1 19 . 1 1 90 90 GLN CB C 90 28.471 28.471 28.664 -0.193 18431 8601 1 19 . 1 1 90 90 GLN H H 90 8.780 8.780 8.107 0.673 18431 8602 1 19 . 1 1 91 91 VAL N N 91 118.757 118.757 120.359 -1.602 18431 8603 1 19 . 1 1 91 91 VAL HA H 91 3.720 3.720 3.737 -0.017 18431 8604 1 19 . 1 1 91 91 VAL CA C 91 66.303 66.303 65.344 0.959 18431 8605 1 19 . 1 1 91 91 VAL CB C 91 31.641 31.641 31.524 0.117 18431 8606 1 19 . 1 1 91 91 VAL H H 91 7.640 7.640 7.495 0.145 18431 8607 1 19 . 1 1 92 92 VAL N N 92 120.289 120.289 120.045 0.244 18431 8608 1 19 . 1 1 92 92 VAL HA H 92 3.728 3.728 3.677 0.051 18431 8609 1 19 . 1 1 92 92 VAL CA C 92 66.270 66.270 66.465 -0.195 18431 8610 1 19 . 1 1 92 92 VAL CB C 92 31.354 31.354 31.963 -0.609 18431 8611 1 19 . 1 1 92 92 VAL H H 92 7.382 7.382 7.761 -0.379 18431 8612 1 19 . 1 1 93 93 LEU N N 93 123.817 123.817 116.640 7.177 18431 8613 1 19 . 1 1 93 93 LEU HA H 93 4.038 4.038 4.219 -0.181 18431 8614 1 19 . 1 1 93 93 LEU CA C 93 58.777 58.777 57.975 0.802 18431 8615 1 19 . 1 1 93 93 LEU CB C 93 41.790 41.790 41.318 0.472 18431 8616 1 19 . 1 1 93 93 LEU H H 93 8.813 8.813 7.406 1.407 18431 8617 1 19 . 1 1 94 94 GLN N N 94 119.660 119.660 119.528 0.132 18431 8618 1 19 . 1 1 94 94 GLN HA H 94 3.990 3.990 4.277 -0.287 18431 8619 1 19 . 1 1 94 94 GLN CA C 94 58.977 58.977 58.562 0.416 18431 8620 1 19 . 1 1 94 94 GLN CB C 94 28.270 28.270 28.435 -0.165 18431 8621 1 19 . 1 1 94 94 GLN H H 94 8.469 8.469 7.772 0.697 18431 8622 1 19 . 1 1 95 95 GLN N N 95 117.593 117.593 117.070 0.523 18431 8623 1 19 . 1 1 95 95 GLN HA H 95 4.068 4.068 4.156 -0.088 18431 8624 1 19 . 1 1 95 95 GLN CA C 95 57.991 57.991 58.154 -0.163 18431 8625 1 19 . 1 1 95 95 GLN CB C 95 28.548 28.548 28.749 -0.201 18431 8626 1 19 . 1 1 95 95 GLN H H 95 8.088 8.088 7.681 0.407 18431 8627 1 19 . 1 1 96 96 THR N N 96 113.065 113.065 112.307 0.758 18431 8628 1 19 . 1 1 96 96 THR HA H 96 4.003 4.003 4.137 -0.134 18431 8629 1 19 . 1 1 96 96 THR CA C 96 64.857 64.857 64.052 0.805 18431 8630 1 19 . 1 1 96 96 THR CB C 96 69.618 69.618 69.236 0.382 18431 8631 1 19 . 1 1 96 96 THR H H 96 7.970 7.970 7.669 0.301 18431 8632 1 19 . 1 1 97 97 TYR N N 97 118.178 118.178 118.404 -0.226 18431 8633 1 19 . 1 1 97 97 TYR HA H 97 4.717 4.717 4.569 0.148 18431 8634 1 19 . 1 1 97 97 TYR CA C 97 58.312 58.312 59.682 -1.370 18431 8635 1 19 . 1 1 97 97 TYR CB C 97 40.223 40.223 39.795 0.428 18431 8636 1 19 . 1 1 97 97 TYR H H 97 8.438 8.438 8.436 0.002 18431 8637 1 19 . 1 1 98 98 GLY N N 98 109.735 109.735 103.854 5.881 18431 8638 1 19 . 1 1 98 98 GLY CA C 98 45.908 45.908 45.104 0.804 18431 8639 1 19 . 1 1 98 98 GLY H H 98 8.014 8.014 8.027 -0.013 18431 8640 1 19 . 1 1 99 99 SER N N 99 114.137 114.137 114.665 -0.528 18431 8641 1 19 . 1 1 99 99 SER HA H 99 4.642 4.642 4.812 -0.170 18431 8642 1 19 . 1 1 99 99 SER CA C 99 57.226 57.226 57.287 -0.061 18431 8643 1 19 . 1 1 99 99 SER CB C 99 64.294 64.294 66.121 -1.827 18431 8644 1 19 . 1 1 99 99 SER H H 99 7.666 7.666 7.994 -0.328 18431 8645 1 19 . 1 1 100 100 THR N N 100 110.514 110.514 111.448 -0.934 18431 8646 1 19 . 1 1 100 100 THR HA H 100 4.424 4.424 4.521 -0.097 18431 8647 1 19 . 1 1 100 100 THR CA C 100 60.964 60.964 60.154 0.810 18431 8648 1 19 . 1 1 100 100 THR CB C 100 70.303 70.303 70.988 -0.685 18431 8649 1 19 . 1 1 100 100 THR H H 100 7.899 7.899 8.041 -0.142 18431 8650 1 19 . 1 1 101 101 LEU N N 101 124.047 124.047 122.266 1.781 18431 8651 1 19 . 1 1 101 101 LEU HA H 101 4.313 4.313 4.369 -0.056 18431 8652 1 19 . 1 1 101 101 LEU CA C 101 54.930 54.930 54.658 0.272 18431 8653 1 19 . 1 1 101 101 LEU CB C 101 42.501 42.501 42.730 -0.229 18431 8654 1 19 . 1 1 101 101 LEU H H 101 8.847 8.847 8.241 0.606 18431 8655 1 19 . 1 1 102 102 LYS N N 102 124.883 124.883 121.373 3.510 18431 8656 1 19 . 1 1 102 102 LYS HA H 102 4.415 4.415 4.243 0.172 18431 8657 1 19 . 1 1 102 102 LYS CA C 102 55.588 55.588 56.286 -0.698 18431 8658 1 19 . 1 1 102 102 LYS CB C 102 32.596 32.596 32.828 -0.232 18431 8659 1 19 . 1 1 102 102 LYS H H 102 8.578 8.578 8.205 0.373 18431 8660 1 19 . 1 1 103 103 VAL N N 103 122.753 122.753 127.149 -4.396 18431 8661 1 19 . 1 1 103 103 VAL HA H 103 4.237 4.237 4.443 -0.206 18431 8662 1 19 . 1 1 103 103 VAL CA C 103 61.956 61.956 61.758 0.198 18431 8663 1 19 . 1 1 103 103 VAL CB C 103 32.747 32.747 31.935 0.812 18431 8664 1 19 . 1 1 103 103 VAL H H 103 8.348 8.348 8.512 -0.164 18431 8665 1 20 . 1 1 9 9 ALA N N 9 123.345 123.345 125.678 -2.333 18431 8666 1 20 . 1 1 9 9 ALA HA H 9 4.549 4.549 4.578 -0.029 18431 8667 1 20 . 1 1 9 9 ALA CA C 9 50.151 50.151 51.109 -0.958 18431 8668 1 20 . 1 1 9 9 ALA CB C 9 18.185 18.185 19.008 -0.823 18431 8669 1 20 . 1 1 9 9 ALA H H 9 7.992 7.992 8.241 -0.249 18431 8670 1 20 . 1 1 10 10 PRO HA H 10 4.299 4.299 4.383 -0.084 18431 8671 1 20 . 1 1 10 10 PRO CA C 10 62.937 62.937 62.853 0.083 18431 8672 1 20 . 1 1 10 10 PRO CB C 10 31.902 31.902 31.623 0.279 18431 8673 1 20 . 1 1 11 11 ASN N N 11 117.877 117.877 122.256 -4.379 18431 8674 1 20 . 1 1 11 11 ASN HA H 11 4.646 4.646 4.685 -0.039 18431 8675 1 20 . 1 1 11 11 ASN CA C 11 53.077 53.077 54.069 -0.992 18431 8676 1 20 . 1 1 11 11 ASN CB C 11 38.590 38.590 38.823 -0.233 18431 8677 1 20 . 1 1 11 11 ASN H H 11 8.467 8.467 8.798 -0.331 18431 8678 1 20 . 1 1 12 12 LEU N N 12 122.874 122.874 121.330 1.544 18431 8679 1 20 . 1 1 12 12 LEU HA H 12 4.290 4.290 4.252 0.038 18431 8680 1 20 . 1 1 12 12 LEU CA C 12 55.170 55.170 55.789 -0.619 18431 8681 1 20 . 1 1 12 12 LEU CB C 12 42.131 42.131 42.027 0.104 18431 8682 1 20 . 1 1 12 12 LEU H H 12 8.196 8.196 7.883 0.313 18431 8683 1 20 . 1 1 13 13 ALA N N 13 123.854 123.854 120.465 3.389 18431 8684 1 20 . 1 1 13 13 ALA HA H 13 4.243 4.243 4.509 -0.266 18431 8685 1 20 . 1 1 13 13 ALA CA C 13 52.672 52.672 51.367 1.306 18431 8686 1 20 . 1 1 13 13 ALA CB C 13 18.923 18.923 20.157 -1.234 18431 8687 1 20 . 1 1 13 13 ALA H H 13 8.214 8.214 7.657 0.557 18431 8688 1 20 . 1 1 14 14 GLY N N 14 107.993 107.993 106.188 1.805 18431 8689 1 20 . 1 1 14 14 GLY CA C 14 44.989 44.989 44.309 0.680 18431 8690 1 20 . 1 1 14 14 GLY H H 14 8.246 8.246 8.444 -0.198 18431 8691 1 20 . 1 1 15 15 ALA N N 15 123.594 123.594 120.814 2.780 18431 8692 1 20 . 1 1 15 15 ALA HA H 15 4.330 4.330 3.954 0.376 18431 8693 1 20 . 1 1 15 15 ALA CA C 15 52.147 52.147 52.502 -0.355 18431 8694 1 20 . 1 1 15 15 ALA CB C 15 18.941 18.941 17.307 1.634 18431 8695 1 20 . 1 1 15 15 ALA H H 15 8.017 8.017 7.935 0.082 18431 8696 1 20 . 1 1 16 16 VAL N N 16 119.010 119.010 112.008 7.002 18431 8697 1 20 . 1 1 16 16 VAL HA H 16 4.036 4.036 3.856 0.180 18431 8698 1 20 . 1 1 16 16 VAL CA C 16 62.127 62.127 64.142 -2.015 18431 8699 1 20 . 1 1 16 16 VAL CB C 16 32.727 32.727 32.014 0.713 18431 8700 1 20 . 1 1 16 16 VAL H H 16 8.060 8.060 8.138 -0.078 18431 8701 1 20 . 1 1 17 17 GLU N N 17 124.211 124.211 118.475 5.736 18431 8702 1 20 . 1 1 17 17 GLU HA H 17 4.429 4.429 4.486 -0.057 18431 8703 1 20 . 1 1 17 17 GLU CA C 17 57.429 57.429 55.431 1.998 18431 8704 1 20 . 1 1 17 17 GLU CB C 17 29.421 29.421 30.984 -1.563 18431 8705 1 20 . 1 1 17 17 GLU H H 17 8.436 8.436 7.832 0.604 18431 8706 1 20 . 1 1 18 18 PHE HA H 18 4.291 4.291 4.282 0.009 18431 8707 1 20 . 1 1 18 18 PHE CA C 18 60.955 60.955 60.141 0.814 18431 8708 1 20 . 1 1 18 18 PHE CB C 18 38.464 38.464 39.636 -1.172 18431 8709 1 20 . 1 1 19 19 SER N N 19 112.147 112.147 115.027 -2.880 18431 8710 1 20 . 1 1 19 19 SER HA H 19 3.659 3.659 3.801 -0.142 18431 8711 1 20 . 1 1 19 19 SER CA C 19 61.576 61.576 62.261 -0.685 18431 8712 1 20 . 1 1 19 19 SER CB C 19 61.649 61.649 62.573 -0.924 18431 8713 1 20 . 1 1 19 19 SER H H 19 8.871 8.871 8.581 0.290 18431 8714 1 20 . 1 1 20 20 ASP N N 20 120.916 120.916 121.247 -0.331 18431 8715 1 20 . 1 1 20 20 ASP HA H 20 4.492 4.492 4.414 0.078 18431 8716 1 20 . 1 1 20 20 ASP CA C 20 56.696 56.696 57.039 -0.343 18431 8717 1 20 . 1 1 20 20 ASP CB C 20 40.543 40.543 40.364 0.179 18431 8718 1 20 . 1 1 20 20 ASP H H 20 7.019 7.019 7.729 -0.710 18431 8719 1 20 . 1 1 21 21 VAL HA H 21 3.224 3.224 3.483 -0.259 18431 8720 1 20 . 1 1 21 21 VAL CA C 21 66.801 66.801 66.544 0.257 18431 8721 1 20 . 1 1 21 21 VAL CB C 21 31.741 31.741 31.217 0.524 18431 8722 1 20 . 1 1 22 22 LYS HA H 22 3.435 3.435 3.799 -0.364 18431 8723 1 20 . 1 1 22 22 LYS CA C 22 60.282 60.282 59.754 0.528 18431 8724 1 20 . 1 1 22 22 LYS CB C 22 31.283 31.283 31.588 -0.305 18431 8725 1 20 . 1 1 23 23 THR N N 23 116.224 116.224 116.746 -0.522 18431 8726 1 20 . 1 1 23 23 THR HA H 23 3.796 3.796 4.172 -0.376 18431 8727 1 20 . 1 1 23 23 THR CA C 23 66.591 66.591 65.914 0.677 18431 8728 1 20 . 1 1 23 23 THR CB C 23 68.361 68.361 68.426 -0.065 18431 8729 1 20 . 1 1 23 23 THR H H 23 7.391 7.391 7.498 -0.107 18431 8730 1 20 . 1 1 24 24 LEU HA H 24 4.022 4.022 4.239 -0.217 18431 8731 1 20 . 1 1 24 24 LEU CA C 24 57.911 57.911 58.510 -0.599 18431 8732 1 20 . 1 1 24 24 LEU CB C 24 42.110 42.110 41.845 0.265 18431 8733 1 20 . 1 1 24 24 LEU H H 24 7.699 7.699 8.087 -0.388 18431 8734 1 20 . 1 1 25 25 LEU N N 25 118.389 118.389 118.444 -0.055 18431 8735 1 20 . 1 1 25 25 LEU HA H 25 4.135 4.135 4.196 -0.061 18431 8736 1 20 . 1 1 25 25 LEU CA C 25 57.864 57.864 57.753 0.111 18431 8737 1 20 . 1 1 25 25 LEU CB C 25 42.653 42.653 41.861 0.792 18431 8738 1 20 . 1 1 25 25 LEU H H 25 8.331 8.331 7.944 0.387 18431 8739 1 20 . 1 1 26 26 LYS N N 26 118.433 118.433 119.985 -1.552 18431 8740 1 20 . 1 1 26 26 LYS HA H 26 3.833 3.833 3.899 -0.066 18431 8741 1 20 . 1 1 26 26 LYS CA C 26 60.095 60.095 59.441 0.654 18431 8742 1 20 . 1 1 26 26 LYS CB C 26 31.623 31.623 32.333 -0.710 18431 8743 1 20 . 1 1 26 26 LYS H H 26 8.464 8.464 8.072 0.392 18431 8744 1 20 . 1 1 27 27 GLU N N 27 120.838 120.838 119.640 1.198 18431 8745 1 20 . 1 1 27 27 GLU HA H 27 3.945 3.945 4.249 -0.304 18431 8746 1 20 . 1 1 27 27 GLU CA C 27 59.509 59.509 58.446 1.063 18431 8747 1 20 . 1 1 27 27 GLU CB C 27 29.199 29.199 29.305 -0.106 18431 8748 1 20 . 1 1 27 27 GLU H H 27 8.246 8.246 8.682 -0.436 18431 8749 1 20 . 1 1 28 28 TRP N N 28 122.200 122.200 122.230 -0.030 18431 8750 1 20 . 1 1 28 28 TRP HA H 28 4.597 4.597 4.487 0.110 18431 8751 1 20 . 1 1 28 28 TRP CA C 28 59.443 59.443 60.500 -1.057 18431 8752 1 20 . 1 1 28 28 TRP CB C 28 29.083 29.083 29.547 -0.464 18431 8753 1 20 . 1 1 28 28 TRP H H 28 8.143 8.143 7.979 0.164 18431 8754 1 20 . 1 1 29 29 ILE N N 29 114.954 114.954 117.543 -2.589 18431 8755 1 20 . 1 1 29 29 ILE HA H 29 2.742 2.742 3.198 -0.456 18431 8756 1 20 . 1 1 29 29 ILE CA C 29 62.759 62.759 62.761 -0.003 18431 8757 1 20 . 1 1 29 29 ILE CB C 29 37.992 37.992 38.342 -0.350 18431 8758 1 20 . 1 1 29 29 ILE H H 29 7.999 7.999 7.287 0.712 18431 8759 1 20 . 1 1 30 30 THR N N 30 106.869 106.869 113.579 -6.710 18431 8760 1 20 . 1 1 30 30 THR HA H 30 4.117 4.117 4.121 -0.004 18431 8761 1 20 . 1 1 30 30 THR CA C 30 63.447 63.447 65.132 -1.685 18431 8762 1 20 . 1 1 30 30 THR CB C 30 70.045 70.045 69.019 1.026 18431 8763 1 20 . 1 1 30 30 THR H H 30 7.622 7.622 7.404 0.218 18431 8764 1 20 . 1 1 31 31 THR N N 31 111.890 111.890 117.248 -5.358 18431 8765 1 20 . 1 1 31 31 THR HA H 31 4.503 4.503 4.075 0.428 18431 8766 1 20 . 1 1 31 31 THR CA C 31 63.231 63.231 65.238 -2.007 18431 8767 1 20 . 1 1 31 31 THR CB C 31 70.556 70.556 68.990 1.566 18431 8768 1 20 . 1 1 31 31 THR H H 31 7.588 7.588 7.953 -0.365 18431 8769 1 20 . 1 1 32 32 ILE N N 32 123.663 123.663 119.897 3.766 18431 8770 1 20 . 1 1 32 32 ILE HA H 32 4.499 4.499 4.283 0.216 18431 8771 1 20 . 1 1 32 32 ILE CA C 32 59.426 59.426 59.823 -0.397 18431 8772 1 20 . 1 1 32 32 ILE CB C 32 37.378 37.378 38.088 -0.710 18431 8773 1 20 . 1 1 32 32 ILE H H 32 7.929 7.929 7.353 0.576 18431 8774 1 20 . 1 1 33 33 SER N N 33 119.544 119.544 117.604 1.940 18431 8775 1 20 . 1 1 33 33 SER HA H 33 4.523 4.523 4.719 -0.196 18431 8776 1 20 . 1 1 33 33 SER CA C 33 59.189 59.189 59.167 0.022 18431 8777 1 20 . 1 1 33 33 SER CB C 33 63.838 63.838 65.470 -1.632 18431 8778 1 20 . 1 1 33 33 SER H H 33 8.418 8.418 8.609 -0.191 18431 8779 1 20 . 1 1 34 34 ASP HA H 34 4.821 4.821 4.855 -0.034 18431 8780 1 20 . 1 1 34 34 ASP CA C 34 51.168 51.168 51.446 -0.278 18431 8781 1 20 . 1 1 34 34 ASP CB C 34 41.139 41.139 42.198 -1.059 18431 8782 1 20 . 1 1 34 34 ASP H H 34 7.730 7.730 7.940 -0.210 18431 8783 1 20 . 1 1 35 35 PRO HA H 35 4.167 4.167 4.721 -0.554 18431 8784 1 20 . 1 1 35 35 PRO CA C 35 62.085 62.085 62.729 -0.644 18431 8785 1 20 . 1 1 35 35 PRO CB C 35 31.767 31.767 32.655 -0.888 18431 8786 1 20 . 1 1 36 36 MET N N 36 121.309 121.309 119.495 1.814 18431 8787 1 20 . 1 1 36 36 MET HA H 36 4.565 4.565 4.720 -0.155 18431 8788 1 20 . 1 1 36 36 MET CA C 36 53.867 53.867 53.701 0.166 18431 8789 1 20 . 1 1 36 36 MET CB C 36 32.411 32.411 35.066 -2.655 18431 8790 1 20 . 1 1 36 36 MET H H 36 9.165 9.165 8.372 0.793 18431 8791 1 20 . 1 1 37 37 GLU N N 37 125.284 125.284 120.213 5.071 18431 8792 1 20 . 1 1 37 37 GLU HA H 37 3.744 3.744 3.883 -0.139 18431 8793 1 20 . 1 1 37 37 GLU CA C 37 60.307 60.307 59.606 0.701 18431 8794 1 20 . 1 1 37 37 GLU CB C 37 29.448 29.448 28.704 0.744 18431 8795 1 20 . 1 1 37 37 GLU H H 37 9.034 9.034 8.928 0.106 18431 8796 1 20 . 1 1 38 38 GLU N N 38 116.000 116.000 117.594 -1.594 18431 8797 1 20 . 1 1 38 38 GLU HA H 38 4.003 4.003 4.066 -0.063 18431 8798 1 20 . 1 1 38 38 GLU CA C 38 59.588 59.588 58.958 0.630 18431 8799 1 20 . 1 1 38 38 GLU CB C 38 29.280 29.280 28.846 0.434 18431 8800 1 20 . 1 1 38 38 GLU H H 38 9.356 9.356 8.875 0.481 18431 8801 1 20 . 1 1 39 39 ASP N N 39 118.974 118.974 120.835 -1.861 18431 8802 1 20 . 1 1 39 39 ASP HA H 39 4.493 4.493 4.561 -0.068 18431 8803 1 20 . 1 1 39 39 ASP CA C 39 57.231 57.231 56.850 0.381 18431 8804 1 20 . 1 1 39 39 ASP CB C 39 41.226 41.226 40.613 0.613 18431 8805 1 20 . 1 1 39 39 ASP H H 39 7.169 7.169 8.132 -0.963 18431 8806 1 20 . 1 1 40 40 ILE N N 40 120.269 120.269 120.354 -0.085 18431 8807 1 20 . 1 1 40 40 ILE HA H 40 3.845 3.845 4.029 -0.184 18431 8808 1 20 . 1 1 40 40 ILE CA C 40 65.345 65.345 64.803 0.542 18431 8809 1 20 . 1 1 40 40 ILE CB C 40 37.500 37.500 38.077 -0.577 18431 8810 1 20 . 1 1 40 40 ILE H H 40 7.766 7.766 7.471 0.295 18431 8811 1 20 . 1 1 41 41 LEU N N 41 118.715 118.715 119.472 -0.757 18431 8812 1 20 . 1 1 41 41 LEU HA H 41 4.131 4.131 4.051 0.080 18431 8813 1 20 . 1 1 41 41 LEU CA C 41 57.835 57.835 57.568 0.267 18431 8814 1 20 . 1 1 41 41 LEU CB C 41 40.819 40.819 41.217 -0.397 18431 8815 1 20 . 1 1 41 41 LEU H H 41 8.726 8.726 8.188 0.538 18431 8816 1 20 . 1 1 42 42 GLN N N 42 119.539 119.539 119.066 0.473 18431 8817 1 20 . 1 1 42 42 GLN HA H 42 4.177 4.177 4.121 0.056 18431 8818 1 20 . 1 1 42 42 GLN CA C 42 59.241 59.241 58.605 0.636 18431 8819 1 20 . 1 1 42 42 GLN CB C 42 28.518 28.518 28.359 0.159 18431 8820 1 20 . 1 1 42 42 GLN H H 42 7.768 7.768 7.717 0.051 18431 8821 1 20 . 1 1 43 43 VAL N N 43 121.194 121.194 116.803 4.391 18431 8822 1 20 . 1 1 43 43 VAL HA H 43 3.787 3.787 3.724 0.063 18431 8823 1 20 . 1 1 43 43 VAL CA C 43 66.760 66.760 65.593 1.167 18431 8824 1 20 . 1 1 43 43 VAL CB C 43 31.423 31.423 30.404 1.019 18431 8825 1 20 . 1 1 43 43 VAL H H 43 7.712 7.712 7.629 0.083 18431 8826 1 20 . 1 1 44 44 VAL N N 44 120.876 120.876 120.647 0.229 18431 8827 1 20 . 1 1 44 44 VAL HA H 44 3.422 3.422 3.825 -0.403 18431 8828 1 20 . 1 1 44 44 VAL CA C 44 67.910 67.910 66.060 1.850 18431 8829 1 20 . 1 1 44 44 VAL CB C 44 31.392 31.392 30.805 0.587 18431 8830 1 20 . 1 1 44 44 VAL H H 44 8.232 8.232 7.578 0.654 18431 8831 1 20 . 1 1 45 45 ARG N N 45 120.934 120.934 121.273 -0.339 18431 8832 1 20 . 1 1 45 45 ARG HA H 45 4.148 4.148 4.029 0.119 18431 8833 1 20 . 1 1 45 45 ARG CA C 45 58.593 58.593 58.544 0.049 18431 8834 1 20 . 1 1 45 45 ARG CB C 45 29.608 29.608 29.541 0.067 18431 8835 1 20 . 1 1 45 45 ARG H H 45 8.489 8.489 7.895 0.594 18431 8836 1 20 . 1 1 46 46 TYR N N 46 120.548 120.548 120.180 0.368 18431 8837 1 20 . 1 1 46 46 TYR HA H 46 4.547 4.547 4.316 0.231 18431 8838 1 20 . 1 1 46 46 TYR CA C 46 60.926 60.926 61.547 -0.621 18431 8839 1 20 . 1 1 46 46 TYR CB C 46 38.447 38.447 38.125 0.322 18431 8840 1 20 . 1 1 46 46 TYR H H 46 7.870 7.870 7.759 0.111 18431 8841 1 20 . 1 1 47 47 CYS N N 47 115.132 115.132 117.098 -1.966 18431 8842 1 20 . 1 1 47 47 CYS HA H 47 3.738 3.738 3.842 -0.104 18431 8843 1 20 . 1 1 47 47 CYS CA C 47 64.313 64.313 63.988 0.325 18431 8844 1 20 . 1 1 47 47 CYS CB C 47 27.744 27.744 28.096 -0.352 18431 8845 1 20 . 1 1 47 47 CYS H H 47 8.109 8.109 7.543 0.566 18431 8846 1 20 . 1 1 48 48 THR N N 48 114.153 114.153 115.075 -0.922 18431 8847 1 20 . 1 1 48 48 THR HA H 48 3.877 3.877 4.009 -0.132 18431 8848 1 20 . 1 1 48 48 THR CA C 48 66.755 66.755 66.547 0.208 18431 8849 1 20 . 1 1 48 48 THR CB C 48 67.593 67.593 67.832 -0.239 18431 8850 1 20 . 1 1 48 48 THR H H 48 8.776 8.776 8.493 0.283 18431 8851 1 20 . 1 1 49 49 ASP N N 49 126.528 126.528 120.785 5.743 18431 8852 1 20 . 1 1 49 49 ASP HA H 49 4.425 4.425 4.486 -0.061 18431 8853 1 20 . 1 1 49 49 ASP CA C 49 57.688 57.688 56.315 1.373 18431 8854 1 20 . 1 1 49 49 ASP CB C 49 39.249 39.249 40.976 -1.727 18431 8855 1 20 . 1 1 49 49 ASP H H 49 8.697 8.697 7.644 1.053 18431 8856 1 20 . 1 1 50 50 LEU HA H 50 3.924 3.924 3.895 0.029 18431 8857 1 20 . 1 1 50 50 LEU CA C 50 58.157 58.157 57.490 0.667 18431 8858 1 20 . 1 1 50 50 LEU CB C 50 41.408 41.408 42.019 -0.611 18431 8859 1 20 . 1 1 51 51 ILE N N 51 118.832 118.832 116.692 2.140 18431 8860 1 20 . 1 1 51 51 ILE HA H 51 3.417 3.417 3.731 -0.314 18431 8861 1 20 . 1 1 51 51 ILE CA C 51 66.261 66.261 64.986 1.275 18431 8862 1 20 . 1 1 51 51 ILE CB C 51 37.691 37.691 37.343 0.348 18431 8863 1 20 . 1 1 51 51 ILE H H 51 7.639 7.639 7.550 0.089 18431 8864 1 20 . 1 1 52 52 GLU N N 52 123.247 123.247 118.915 4.332 18431 8865 1 20 . 1 1 52 52 GLU HA H 52 4.001 4.001 4.185 -0.184 18431 8866 1 20 . 1 1 52 52 GLU CA C 52 59.592 59.592 58.613 0.979 18431 8867 1 20 . 1 1 52 52 GLU CB C 52 29.068 29.068 29.464 -0.396 18431 8868 1 20 . 1 1 52 52 GLU H H 52 8.506 8.506 8.182 0.324 18431 8869 1 20 . 1 1 53 53 GLU N N 53 116.384 116.384 116.169 0.215 18431 8870 1 20 . 1 1 53 53 GLU HA H 53 4.294 4.294 4.442 -0.148 18431 8871 1 20 . 1 1 53 53 GLU CA C 53 55.907 55.907 55.827 0.080 18431 8872 1 20 . 1 1 53 53 GLU CB C 53 29.710 29.710 29.602 0.108 18431 8873 1 20 . 1 1 53 53 GLU H H 53 7.716 7.716 7.807 -0.091 18431 8874 1 20 . 1 1 54 54 LYS N N 54 116.934 116.934 114.468 2.466 18431 8875 1 20 . 1 1 54 54 LYS HA H 54 3.662 3.662 3.946 -0.284 18431 8876 1 20 . 1 1 54 54 LYS CA C 54 57.278 57.278 57.945 -0.667 18431 8877 1 20 . 1 1 54 54 LYS CB C 54 29.785 29.785 30.097 -0.312 18431 8878 1 20 . 1 1 54 54 LYS H H 54 8.089 8.089 7.448 0.641 18431 8879 1 20 . 1 1 55 55 ASP N N 55 122.549 122.549 119.252 3.297 18431 8880 1 20 . 1 1 55 55 ASP HA H 55 5.058 5.058 4.779 0.279 18431 8881 1 20 . 1 1 55 55 ASP CA C 55 51.306 51.306 53.427 -2.121 18431 8882 1 20 . 1 1 55 55 ASP CB C 55 38.856 38.856 40.524 -1.668 18431 8883 1 20 . 1 1 55 55 ASP H H 55 8.497 8.497 8.090 0.407 18431 8884 1 20 . 1 1 56 56 LEU N N 56 119.627 119.627 116.551 3.076 18431 8885 1 20 . 1 1 56 56 LEU HA H 56 3.901 3.901 4.315 -0.414 18431 8886 1 20 . 1 1 56 56 LEU CA C 56 56.528 56.528 55.300 1.228 18431 8887 1 20 . 1 1 56 56 LEU CB C 56 40.034 40.034 40.459 -0.425 18431 8888 1 20 . 1 1 56 56 LEU H H 56 7.578 7.578 7.991 -0.413 18431 8889 1 20 . 1 1 57 57 GLU N N 57 121.433 121.433 121.469 -0.036 18431 8890 1 20 . 1 1 57 57 GLU HA H 57 4.041 4.041 3.857 0.184 18431 8891 1 20 . 1 1 57 57 GLU CA C 57 59.321 59.321 59.995 -0.674 18431 8892 1 20 . 1 1 57 57 GLU CB C 57 29.229 29.229 28.907 0.322 18431 8893 1 20 . 1 1 57 57 GLU H H 57 8.614 8.614 8.453 0.161 18431 8894 1 20 . 1 1 58 58 LYS N N 58 119.832 119.832 118.575 1.257 18431 8895 1 20 . 1 1 58 58 LYS HA H 58 3.760 3.760 3.901 -0.141 18431 8896 1 20 . 1 1 58 58 LYS CA C 58 59.273 59.273 57.940 1.333 18431 8897 1 20 . 1 1 58 58 LYS CB C 58 32.370 32.370 32.029 0.341 18431 8898 1 20 . 1 1 58 58 LYS H H 58 7.527 7.527 7.725 -0.198 18431 8899 1 20 . 1 1 59 59 LEU N N 59 117.844 117.844 122.314 -4.470 18431 8900 1 20 . 1 1 59 59 LEU HA H 59 3.912 3.912 3.886 0.026 18431 8901 1 20 . 1 1 59 59 LEU CA C 59 57.865 57.865 58.029 -0.164 18431 8902 1 20 . 1 1 59 59 LEU CB C 59 41.382 41.382 41.764 -0.382 18431 8903 1 20 . 1 1 59 59 LEU H H 59 7.570 7.570 7.670 -0.099 18431 8904 1 20 . 1 1 60 60 ASP N N 60 117.630 117.630 117.975 -0.345 18431 8905 1 20 . 1 1 60 60 ASP HA H 60 4.273 4.273 4.313 -0.040 18431 8906 1 20 . 1 1 60 60 ASP CA C 60 57.695 57.695 57.483 0.212 18431 8907 1 20 . 1 1 60 60 ASP CB C 60 42.074 42.074 40.887 1.187 18431 8908 1 20 . 1 1 60 60 ASP H H 60 7.849 7.849 8.021 -0.172 18431 8909 1 20 . 1 1 61 61 LEU N N 61 116.500 116.500 118.628 -2.128 18431 8910 1 20 . 1 1 61 61 LEU HA H 61 3.924 3.924 4.079 -0.155 18431 8911 1 20 . 1 1 61 61 LEU CA C 61 57.886 57.886 57.008 0.878 18431 8912 1 20 . 1 1 61 61 LEU CB C 61 41.825 41.825 41.761 0.064 18431 8913 1 20 . 1 1 61 61 LEU H H 61 7.484 7.484 7.080 0.404 18431 8914 1 20 . 1 1 62 62 VAL N N 62 120.681 120.681 119.094 1.587 18431 8915 1 20 . 1 1 62 62 VAL HA H 62 3.963 3.963 3.920 0.043 18431 8916 1 20 . 1 1 62 62 VAL CA C 62 66.843 66.843 66.551 0.292 18431 8917 1 20 . 1 1 62 62 VAL CB C 62 31.954 31.954 31.074 0.880 18431 8918 1 20 . 1 1 62 62 VAL H H 62 8.682 8.682 7.650 1.032 18431 8919 1 20 . 1 1 63 63 ILE N N 63 122.448 122.448 118.537 3.911 18431 8920 1 20 . 1 1 63 63 ILE HA H 63 3.995 3.995 3.794 0.201 18431 8921 1 20 . 1 1 63 63 ILE CA C 63 63.777 63.777 64.381 -0.604 18431 8922 1 20 . 1 1 63 63 ILE CB C 63 35.707 35.707 36.370 -0.663 18431 8923 1 20 . 1 1 63 63 ILE H H 63 8.824 8.824 8.093 0.731 18431 8924 1 20 . 1 1 64 64 LYS N N 64 118.898 118.898 118.741 0.157 18431 8925 1 20 . 1 1 64 64 LYS HA H 64 3.889 3.889 4.143 -0.254 18431 8926 1 20 . 1 1 64 64 LYS CA C 64 60.416 60.416 58.688 1.728 18431 8927 1 20 . 1 1 64 64 LYS CB C 64 32.563 32.563 31.887 0.676 18431 8928 1 20 . 1 1 64 64 LYS H H 64 8.368 8.368 7.847 0.521 18431 8929 1 20 . 1 1 65 65 TYR N N 65 121.217 121.217 121.540 -0.323 18431 8930 1 20 . 1 1 65 65 TYR HA H 65 4.330 4.330 4.382 -0.052 18431 8931 1 20 . 1 1 65 65 TYR CA C 65 61.779 61.779 60.934 0.845 18431 8932 1 20 . 1 1 65 65 TYR CB C 65 38.898 38.898 38.935 -0.037 18431 8933 1 20 . 1 1 65 65 TYR H H 65 8.200 8.200 7.787 0.413 18431 8934 1 20 . 1 1 66 66 MET N N 66 116.741 116.741 118.870 -2.129 18431 8935 1 20 . 1 1 66 66 MET HA H 66 3.682 3.682 4.029 -0.347 18431 8936 1 20 . 1 1 66 66 MET CA C 66 60.444 60.444 59.104 1.340 18431 8937 1 20 . 1 1 66 66 MET CB C 66 33.627 33.627 33.140 0.487 18431 8938 1 20 . 1 1 66 66 MET H H 66 8.681 8.681 8.781 -0.100 18431 8939 1 20 . 1 1 67 67 LYS N N 67 119.826 119.826 118.284 1.542 18431 8940 1 20 . 1 1 67 67 LYS HA H 67 2.637 2.637 3.058 -0.421 18431 8941 1 20 . 1 1 67 67 LYS CA C 67 59.949 59.949 58.911 1.038 18431 8942 1 20 . 1 1 67 67 LYS CB C 67 32.596 32.596 31.837 0.759 18431 8943 1 20 . 1 1 67 67 LYS H H 67 8.563 8.563 8.325 0.238 18431 8944 1 20 . 1 1 68 68 ARG N N 68 116.343 116.343 118.699 -2.356 18431 8945 1 20 . 1 1 68 68 ARG HA H 68 3.859 3.859 4.114 -0.255 18431 8946 1 20 . 1 1 68 68 ARG CA C 68 58.254 58.254 58.240 0.014 18431 8947 1 20 . 1 1 68 68 ARG CB C 68 29.605 29.605 29.808 -0.203 18431 8948 1 20 . 1 1 68 68 ARG H H 68 7.117 7.117 7.550 -0.433 18431 8949 1 20 . 1 1 69 69 LEU N N 69 116.573 116.573 121.556 -4.983 18431 8950 1 20 . 1 1 69 69 LEU HA H 69 3.847 3.847 4.149 -0.302 18431 8951 1 20 . 1 1 69 69 LEU CA C 69 56.861 56.861 56.772 0.089 18431 8952 1 20 . 1 1 69 69 LEU CB C 69 42.950 42.950 42.081 0.869 18431 8953 1 20 . 1 1 69 69 LEU H H 69 7.360 7.360 7.443 -0.083 18431 8954 1 20 . 1 1 70 70 MET N N 70 115.874 115.874 115.984 -0.110 18431 8955 1 20 . 1 1 70 70 MET HA H 70 3.823 3.823 3.890 -0.067 18431 8956 1 20 . 1 1 70 70 MET CA C 70 59.195 59.195 58.326 0.869 18431 8957 1 20 . 1 1 70 70 MET CB C 70 32.315 32.315 32.135 0.180 18431 8958 1 20 . 1 1 70 70 MET H H 70 8.769 8.769 7.710 1.059 18431 8959 1 20 . 1 1 71 71 GLN N N 71 114.286 114.286 117.069 -2.783 18431 8960 1 20 . 1 1 71 71 GLN HA H 71 4.416 4.416 4.023 0.393 18431 8961 1 20 . 1 1 71 71 GLN CA C 71 56.527 56.527 58.516 -1.988 18431 8962 1 20 . 1 1 71 71 GLN CB C 71 27.446 27.446 28.692 -1.246 18431 8963 1 20 . 1 1 71 71 GLN H H 71 7.522 7.522 7.612 -0.090 18431 8964 1 20 . 1 1 72 72 GLN N N 72 117.645 117.645 116.239 1.406 18431 8965 1 20 . 1 1 72 72 GLN HA H 72 4.198 4.198 4.072 0.126 18431 8966 1 20 . 1 1 72 72 GLN CA C 72 56.549 56.549 56.937 -0.388 18431 8967 1 20 . 1 1 72 72 GLN CB C 72 28.824 28.824 28.532 0.292 18431 8968 1 20 . 1 1 72 72 GLN H H 72 7.279 7.279 7.633 -0.354 18431 8969 1 20 . 1 1 73 73 SER N N 73 113.600 113.600 114.672 -1.072 18431 8970 1 20 . 1 1 73 73 SER HA H 73 4.504 4.504 4.402 0.102 18431 8971 1 20 . 1 1 73 73 SER CA C 73 57.600 57.600 57.674 -0.074 18431 8972 1 20 . 1 1 73 73 SER CB C 73 63.542 63.542 64.365 -0.824 18431 8973 1 20 . 1 1 73 73 SER H H 73 7.588 7.588 7.131 0.457 18431 8974 1 20 . 1 1 74 74 VAL N N 74 121.652 121.652 118.265 3.387 18431 8975 1 20 . 1 1 74 74 VAL HA H 74 4.136 4.136 4.194 -0.058 18431 8976 1 20 . 1 1 74 74 VAL CA C 74 62.985 62.985 62.662 0.323 18431 8977 1 20 . 1 1 74 74 VAL CB C 74 31.797 31.797 32.274 -0.477 18431 8978 1 20 . 1 1 74 74 VAL H H 74 8.300 8.300 8.259 0.041 18431 8979 1 20 . 1 1 75 75 GLU N N 75 120.481 120.481 122.398 -1.917 18431 8980 1 20 . 1 1 75 75 GLU HA H 75 4.415 4.415 4.354 0.061 18431 8981 1 20 . 1 1 75 75 GLU CA C 75 56.061 56.061 57.149 -1.088 18431 8982 1 20 . 1 1 75 75 GLU CB C 75 29.153 29.153 29.234 -0.081 18431 8983 1 20 . 1 1 75 75 GLU H H 75 8.486 8.486 8.413 0.073 18431 8984 1 20 . 1 1 76 76 SER HA H 76 4.498 4.498 4.168 0.330 18431 8985 1 20 . 1 1 76 76 SER CA C 76 59.426 59.426 62.205 -2.779 18431 8986 1 20 . 1 1 76 76 SER CB C 76 64.071 64.071 63.185 0.886 18431 8987 1 20 . 1 1 76 76 SER H H 76 8.142 8.142 8.753 -0.611 18431 8988 1 20 . 1 1 77 77 VAL N N 77 122.712 122.712 121.133 1.579 18431 8989 1 20 . 1 1 77 77 VAL HA H 77 4.036 4.036 3.707 0.329 18431 8990 1 20 . 1 1 77 77 VAL CA C 77 64.600 64.600 65.847 -1.247 18431 8991 1 20 . 1 1 77 77 VAL CB C 77 30.843 30.843 31.718 -0.875 18431 8992 1 20 . 1 1 77 77 VAL H H 77 8.750 8.750 8.115 0.635 18431 8993 1 20 . 1 1 78 78 TRP N N 78 121.247 121.247 118.970 2.277 18431 8994 1 20 . 1 1 78 78 TRP HA H 78 4.507 4.507 4.339 0.168 18431 8995 1 20 . 1 1 78 78 TRP CA C 78 59.753 59.753 60.558 -0.805 18431 8996 1 20 . 1 1 78 78 TRP CB C 78 29.332 29.332 29.353 -0.021 18431 8997 1 20 . 1 1 78 78 TRP H H 78 7.837 7.837 7.416 0.421 18431 8998 1 20 . 1 1 79 79 ASN N N 79 119.032 119.032 118.082 0.950 18431 8999 1 20 . 1 1 79 79 ASN HA H 79 4.382 4.382 4.467 -0.085 18431 9000 1 20 . 1 1 79 79 ASN CA C 79 57.406 57.406 57.072 0.334 18431 9001 1 20 . 1 1 79 79 ASN CB C 79 38.813 38.813 38.485 0.328 18431 9002 1 20 . 1 1 79 79 ASN H H 79 7.856 7.856 8.116 -0.260 18431 9003 1 20 . 1 1 80 80 MET N N 80 117.280 117.280 118.251 -0.971 18431 9004 1 20 . 1 1 80 80 MET HA H 80 4.383 4.383 4.293 0.090 18431 9005 1 20 . 1 1 80 80 MET CA C 80 58.111 58.111 58.987 -0.876 18431 9006 1 20 . 1 1 80 80 MET CB C 80 32.350 32.350 32.446 -0.096 18431 9007 1 20 . 1 1 80 80 MET H H 80 7.765 7.765 8.735 -0.970 18431 9008 1 20 . 1 1 81 81 ALA N N 81 123.582 123.582 122.669 0.913 18431 9009 1 20 . 1 1 81 81 ALA HA H 81 4.220 4.220 4.158 0.062 18431 9010 1 20 . 1 1 81 81 ALA CA C 81 54.997 54.997 55.058 -0.061 18431 9011 1 20 . 1 1 81 81 ALA CB C 81 17.615 17.615 17.973 -0.358 18431 9012 1 20 . 1 1 81 81 ALA H H 81 8.019 8.019 7.720 0.299 18431 9013 1 20 . 1 1 82 82 PHE N N 82 117.853 117.853 120.387 -2.534 18431 9014 1 20 . 1 1 82 82 PHE HA H 82 4.201 4.201 4.300 -0.099 18431 9015 1 20 . 1 1 82 82 PHE CA C 82 62.679 62.679 60.284 2.395 18431 9016 1 20 . 1 1 82 82 PHE CB C 82 38.078 38.078 38.920 -0.842 18431 9017 1 20 . 1 1 82 82 PHE H H 82 8.455 8.455 8.295 0.160 18431 9018 1 20 . 1 1 83 83 ASP N N 83 118.244 118.244 119.501 -1.257 18431 9019 1 20 . 1 1 83 83 ASP HA H 83 4.250 4.250 3.971 0.279 18431 9020 1 20 . 1 1 83 83 ASP CA C 83 57.602 57.602 57.747 -0.145 18431 9021 1 20 . 1 1 83 83 ASP CB C 83 40.117 40.117 40.746 -0.629 18431 9022 1 20 . 1 1 83 83 ASP H H 83 7.615 7.615 7.915 -0.300 18431 9023 1 20 . 1 1 84 84 PHE N N 84 120.090 120.090 119.869 0.221 18431 9024 1 20 . 1 1 84 84 PHE HA H 84 4.319 4.319 4.241 0.078 18431 9025 1 20 . 1 1 84 84 PHE CA C 84 61.110 61.110 61.512 -0.402 18431 9026 1 20 . 1 1 84 84 PHE CB C 84 39.225 39.225 39.613 -0.388 18431 9027 1 20 . 1 1 84 84 PHE H H 84 7.849 7.849 7.431 0.418 18431 9028 1 20 . 1 1 85 85 ILE N N 85 122.915 122.915 119.977 2.938 18431 9029 1 20 . 1 1 85 85 ILE HA H 85 3.372 3.372 3.698 -0.326 18431 9030 1 20 . 1 1 85 85 ILE CA C 85 65.864 65.864 66.103 -0.239 18431 9031 1 20 . 1 1 85 85 ILE CB C 85 38.422 38.422 38.090 0.332 18431 9032 1 20 . 1 1 85 85 ILE H H 85 8.687 8.687 8.628 0.059 18431 9033 1 20 . 1 1 86 86 LEU N N 86 119.481 119.481 117.057 2.424 18431 9034 1 20 . 1 1 86 86 LEU HA H 86 3.715 3.715 3.960 -0.245 18431 9035 1 20 . 1 1 86 86 LEU CA C 86 57.875 57.875 58.576 -0.701 18431 9036 1 20 . 1 1 86 86 LEU CB C 86 40.602 40.602 40.538 0.064 18431 9037 1 20 . 1 1 86 86 LEU H H 86 8.682 8.682 8.269 0.413 18431 9038 1 20 . 1 1 87 87 ASP N N 87 118.290 118.290 119.061 -0.771 18431 9039 1 20 . 1 1 87 87 ASP HA H 87 4.255 4.255 4.152 0.103 18431 9040 1 20 . 1 1 87 87 ASP CA C 87 57.604 57.604 57.200 0.404 18431 9041 1 20 . 1 1 87 87 ASP CB C 87 40.580 40.580 40.389 0.191 18431 9042 1 20 . 1 1 87 87 ASP H H 87 8.301 8.301 7.813 0.488 18431 9043 1 20 . 1 1 88 88 ASN N N 88 115.606 115.606 117.717 -2.111 18431 9044 1 20 . 1 1 88 88 ASN HA H 88 4.139 4.139 4.387 -0.248 18431 9045 1 20 . 1 1 88 88 ASN CA C 88 57.067 57.067 56.118 0.949 18431 9046 1 20 . 1 1 88 88 ASN CB C 88 39.734 39.734 38.995 0.739 18431 9047 1 20 . 1 1 88 88 ASN H H 88 7.421 7.421 7.558 -0.137 18431 9048 1 20 . 1 1 89 89 VAL N N 89 120.092 120.092 118.461 1.631 18431 9049 1 20 . 1 1 89 89 VAL HA H 89 3.421 3.421 3.775 -0.354 18431 9050 1 20 . 1 1 89 89 VAL CA C 89 66.777 66.777 65.614 1.163 18431 9051 1 20 . 1 1 89 89 VAL CB C 89 31.592 31.592 31.215 0.377 18431 9052 1 20 . 1 1 89 89 VAL H H 89 8.367 8.367 7.592 0.775 18431 9053 1 20 . 1 1 90 90 GLN N N 90 118.315 118.315 118.091 0.224 18431 9054 1 20 . 1 1 90 90 GLN HA H 90 4.427 4.427 4.176 0.251 18431 9055 1 20 . 1 1 90 90 GLN CA C 90 58.918 58.918 57.992 0.926 18431 9056 1 20 . 1 1 90 90 GLN CB C 90 28.471 28.471 28.160 0.311 18431 9057 1 20 . 1 1 90 90 GLN H H 90 8.780 8.780 8.499 0.281 18431 9058 1 20 . 1 1 91 91 VAL N N 91 118.757 118.757 120.160 -1.403 18431 9059 1 20 . 1 1 91 91 VAL HA H 91 3.720 3.720 3.749 -0.029 18431 9060 1 20 . 1 1 91 91 VAL CA C 91 66.303 66.303 65.799 0.504 18431 9061 1 20 . 1 1 91 91 VAL CB C 91 31.641 31.641 31.720 -0.079 18431 9062 1 20 . 1 1 91 91 VAL H H 91 7.640 7.640 7.183 0.457 18431 9063 1 20 . 1 1 92 92 VAL N N 92 120.289 120.289 120.506 -0.217 18431 9064 1 20 . 1 1 92 92 VAL HA H 92 3.728 3.728 3.715 0.013 18431 9065 1 20 . 1 1 92 92 VAL CA C 92 66.270 66.270 66.386 -0.117 18431 9066 1 20 . 1 1 92 92 VAL CB C 92 31.354 31.354 31.541 -0.187 18431 9067 1 20 . 1 1 92 92 VAL H H 92 7.382 7.382 8.324 -0.942 18431 9068 1 20 . 1 1 93 93 LEU N N 93 123.817 123.817 115.553 8.264 18431 9069 1 20 . 1 1 93 93 LEU HA H 93 4.038 4.038 4.262 -0.224 18431 9070 1 20 . 1 1 93 93 LEU CA C 93 58.777 58.777 57.849 0.928 18431 9071 1 20 . 1 1 93 93 LEU CB C 93 41.790 41.790 40.997 0.793 18431 9072 1 20 . 1 1 93 93 LEU H H 93 8.813 8.813 7.379 1.434 18431 9073 1 20 . 1 1 94 94 GLN N N 94 119.660 119.660 119.581 0.079 18431 9074 1 20 . 1 1 94 94 GLN HA H 94 3.990 3.990 4.276 -0.286 18431 9075 1 20 . 1 1 94 94 GLN CA C 94 58.977 58.977 58.567 0.410 18431 9076 1 20 . 1 1 94 94 GLN CB C 94 28.270 28.270 28.432 -0.162 18431 9077 1 20 . 1 1 94 94 GLN H H 94 8.469 8.469 7.771 0.698 18431 9078 1 20 . 1 1 95 95 GLN N N 95 117.593 117.593 116.890 0.703 18431 9079 1 20 . 1 1 95 95 GLN HA H 95 4.068 4.068 4.157 -0.089 18431 9080 1 20 . 1 1 95 95 GLN CA C 95 57.991 57.991 58.163 -0.171 18431 9081 1 20 . 1 1 95 95 GLN CB C 95 28.548 28.548 28.732 -0.184 18431 9082 1 20 . 1 1 95 95 GLN H H 95 8.088 8.088 7.621 0.467 18431 9083 1 20 . 1 1 96 96 THR N N 96 113.065 113.065 112.367 0.698 18431 9084 1 20 . 1 1 96 96 THR HA H 96 4.003 4.003 4.144 -0.141 18431 9085 1 20 . 1 1 96 96 THR CA C 96 64.857 64.857 64.017 0.840 18431 9086 1 20 . 1 1 96 96 THR CB C 96 69.618 69.618 69.397 0.221 18431 9087 1 20 . 1 1 96 96 THR H H 96 7.970 7.970 7.629 0.341 18431 9088 1 20 . 1 1 97 97 TYR N N 97 118.178 118.178 119.614 -1.436 18431 9089 1 20 . 1 1 97 97 TYR HA H 97 4.717 4.717 4.537 0.180 18431 9090 1 20 . 1 1 97 97 TYR CA C 97 58.312 58.312 60.116 -1.804 18431 9091 1 20 . 1 1 97 97 TYR CB C 97 40.223 40.223 39.383 0.840 18431 9092 1 20 . 1 1 97 97 TYR H H 97 8.438 8.438 8.404 0.034 18431 9093 1 20 . 1 1 98 98 GLY N N 98 109.735 109.735 104.309 5.426 18431 9094 1 20 . 1 1 98 98 GLY CA C 98 45.908 45.908 44.955 0.953 18431 9095 1 20 . 1 1 98 98 GLY H H 98 8.014 8.014 7.777 0.237 18431 9096 1 20 . 1 1 99 99 SER N N 99 114.137 114.137 115.267 -1.130 18431 9097 1 20 . 1 1 99 99 SER HA H 99 4.642 4.642 4.815 -0.173 18431 9098 1 20 . 1 1 99 99 SER CA C 99 57.226 57.226 56.933 0.293 18431 9099 1 20 . 1 1 99 99 SER CB C 99 64.294 64.294 64.010 0.284 18431 9100 1 20 . 1 1 99 99 SER H H 99 7.666 7.666 8.041 -0.375 18431 9101 1 20 . 1 1 100 100 THR N N 100 110.514 110.514 112.114 -1.600 18431 9102 1 20 . 1 1 100 100 THR HA H 100 4.424 4.424 4.604 -0.180 18431 9103 1 20 . 1 1 100 100 THR CA C 100 60.964 60.964 60.532 0.431 18431 9104 1 20 . 1 1 100 100 THR CB C 100 70.303 70.303 70.674 -0.371 18431 9105 1 20 . 1 1 100 100 THR H H 100 7.899 7.899 8.030 -0.131 18431 9106 1 20 . 1 1 101 101 LEU N N 101 124.047 124.047 121.123 2.924 18431 9107 1 20 . 1 1 101 101 LEU HA H 101 4.313 4.313 4.586 -0.273 18431 9108 1 20 . 1 1 101 101 LEU CA C 101 54.930 54.930 54.260 0.670 18431 9109 1 20 . 1 1 101 101 LEU CB C 101 42.501 42.501 43.502 -1.000 18431 9110 1 20 . 1 1 101 101 LEU H H 101 8.847 8.847 8.268 0.579 18431 9111 1 20 . 1 1 102 102 LYS N N 102 124.883 124.883 121.532 3.351 18431 9112 1 20 . 1 1 102 102 LYS HA H 102 4.415 4.415 4.374 0.041 18431 9113 1 20 . 1 1 102 102 LYS CA C 102 55.588 55.588 56.261 -0.673 18431 9114 1 20 . 1 1 102 102 LYS CB C 102 32.596 32.596 32.879 -0.283 18431 9115 1 20 . 1 1 102 102 LYS H H 102 8.578 8.578 8.405 0.173 18431 9116 1 20 . 1 1 103 103 VAL N N 103 122.753 122.753 127.319 -4.566 18431 9117 1 20 . 1 1 103 103 VAL HA H 103 4.237 4.237 4.432 -0.195 18431 9118 1 20 . 1 1 103 103 VAL CA C 103 61.956 61.956 61.354 0.602 18431 9119 1 20 . 1 1 103 103 VAL CB C 103 32.747 32.747 31.889 0.858 18431 9120 1 20 . 1 1 103 103 VAL H H 103 8.348 8.348 8.564 -0.216 18431 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 86 2.640 -0.365 2.630 18431 2 1 1 "Average Difference" HA 97 0.213 0.055 0.207 18431 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18431 4 1 1 "Average Difference" CA 95 0.877 -0.127 0.873 18431 5 1 1 "Average Difference" CB 93 0.719 0.105 0.715 18431 6 1 1 "Average Difference" HN 89 0.450 -0.165 0.421 18431 7 1 2 "Average Difference" N 86 2.618 -0.398 2.603 18431 8 1 2 "Average Difference" HA 97 0.225 0.060 0.218 18431 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18431 10 1 2 "Average Difference" CA 95 0.903 -0.197 0.886 18431 11 1 2 "Average Difference" CB 93 0.738 0.082 0.738 18431 12 1 2 "Average Difference" HN 89 0.483 -0.161 0.458 18431 13 1 3 "Average Difference" N 86 2.636 -0.450 2.613 18431 14 1 3 "Average Difference" HA 97 0.220 0.054 0.215 18431 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18431 16 1 3 "Average Difference" CA 95 0.939 -0.114 0.937 18431 17 1 3 "Average Difference" CB 93 0.760 0.102 0.757 18431 18 1 3 "Average Difference" HN 89 0.475 -0.143 0.455 18431 19 1 4 "Average Difference" N 86 2.697 -0.430 2.678 18431 20 1 4 "Average Difference" HA 97 0.246 0.066 0.239 18431 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18431 22 1 4 "Average Difference" CA 95 0.958 -0.106 0.957 18431 23 1 4 "Average Difference" CB 93 0.737 0.091 0.735 18431 24 1 4 "Average Difference" HN 89 0.509 -0.157 0.487 18431 25 1 5 "Average Difference" N 86 2.745 -0.510 2.713 18431 26 1 5 "Average Difference" HA 97 0.234 0.074 0.223 18431 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18431 28 1 5 "Average Difference" CA 95 0.872 -0.159 0.862 18431 29 1 5 "Average Difference" CB 93 0.782 0.133 0.775 18431 30 1 5 "Average Difference" HN 89 0.506 -0.186 0.473 18431 31 1 6 "Average Difference" N 86 2.397 -0.395 2.378 18431 32 1 6 "Average Difference" HA 97 0.222 0.051 0.217 18431 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18431 34 1 6 "Average Difference" CA 95 0.937 -0.115 0.935 18431 35 1 6 "Average Difference" CB 93 0.698 0.073 0.698 18431 36 1 6 "Average Difference" HN 89 0.467 -0.171 0.437 18431 37 1 7 "Average Difference" N 86 2.666 -0.526 2.629 18431 38 1 7 "Average Difference" HA 97 0.240 0.067 0.231 18431 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18431 40 1 7 "Average Difference" CA 95 0.887 -0.168 0.875 18431 41 1 7 "Average Difference" CB 93 0.701 0.074 0.701 18431 42 1 7 "Average Difference" HN 89 0.468 -0.171 0.438 18431 43 1 8 "Average Difference" N 86 2.706 -0.621 2.649 18431 44 1 8 "Average Difference" HA 97 0.236 0.063 0.229 18431 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18431 46 1 8 "Average Difference" CA 95 0.885 -0.112 0.883 18431 47 1 8 "Average Difference" CB 93 0.781 0.058 0.783 18431 48 1 8 "Average Difference" HN 89 0.500 -0.190 0.465 18431 49 1 9 "Average Difference" N 86 2.964 -0.713 2.894 18431 50 1 9 "Average Difference" HA 97 0.219 0.044 0.216 18431 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18431 52 1 9 "Average Difference" CA 95 0.968 -0.182 0.956 18431 53 1 9 "Average Difference" CB 93 0.711 0.074 0.711 18431 54 1 9 "Average Difference" HN 89 0.526 -0.202 0.488 18431 55 1 10 "Average Difference" N 86 2.494 -0.330 2.487 18431 56 1 10 "Average Difference" HA 97 0.209 0.043 0.206 18431 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18431 58 1 10 "Average Difference" CA 95 0.911 -0.163 0.901 18431 59 1 10 "Average Difference" CB 93 0.712 0.105 0.708 18431 60 1 10 "Average Difference" HN 89 0.457 -0.151 0.433 18431 61 1 11 "Average Difference" N 86 2.794 -0.639 2.736 18431 62 1 11 "Average Difference" HA 97 0.226 0.045 0.222 18431 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18431 64 1 11 "Average Difference" CA 95 0.973 -0.099 0.973 18431 65 1 11 "Average Difference" CB 93 0.732 0.043 0.735 18431 66 1 11 "Average Difference" HN 89 0.500 -0.180 0.469 18431 67 1 12 "Average Difference" N 86 2.796 -0.475 2.772 18431 68 1 12 "Average Difference" HA 97 0.239 0.062 0.232 18431 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18431 70 1 12 "Average Difference" CA 95 0.879 -0.128 0.874 18431 71 1 12 "Average Difference" CB 93 0.741 0.079 0.741 18431 72 1 12 "Average Difference" HN 89 0.469 -0.149 0.447 18431 73 1 13 "Average Difference" N 86 2.776 -0.566 2.734 18431 74 1 13 "Average Difference" HA 97 0.245 0.073 0.235 18431 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18431 76 1 13 "Average Difference" CA 95 0.892 -0.114 0.889 18431 77 1 13 "Average Difference" CB 93 0.736 0.109 0.732 18431 78 1 13 "Average Difference" HN 89 0.542 -0.189 0.511 18431 79 1 14 "Average Difference" N 86 2.695 -0.424 2.677 18431 80 1 14 "Average Difference" HA 97 0.220 0.041 0.217 18431 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18431 82 1 14 "Average Difference" CA 95 0.902 -0.071 0.904 18431 83 1 14 "Average Difference" CB 93 0.735 0.072 0.736 18431 84 1 14 "Average Difference" HN 89 0.507 -0.148 0.488 18431 85 1 15 "Average Difference" N 86 2.627 -0.480 2.598 18431 86 1 15 "Average Difference" HA 97 0.235 0.066 0.227 18431 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18431 88 1 15 "Average Difference" CA 95 0.926 -0.175 0.914 18431 89 1 15 "Average Difference" CB 93 0.740 0.091 0.739 18431 90 1 15 "Average Difference" HN 89 0.492 -0.172 0.464 18431 91 1 16 "Average Difference" N 86 2.496 -0.268 2.497 18431 92 1 16 "Average Difference" HA 97 0.237 0.054 0.232 18431 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18431 94 1 16 "Average Difference" CA 95 0.958 -0.140 0.953 18431 95 1 16 "Average Difference" CB 93 0.737 0.119 0.731 18431 96 1 16 "Average Difference" HN 89 0.471 -0.147 0.450 18431 97 1 17 "Average Difference" N 86 2.574 -0.454 2.548 18431 98 1 17 "Average Difference" HA 97 0.234 0.065 0.226 18431 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18431 100 1 17 "Average Difference" CA 95 0.909 -0.209 0.889 18431 101 1 17 "Average Difference" CB 93 0.754 0.129 0.747 18431 102 1 17 "Average Difference" HN 89 0.537 -0.157 0.516 18431 103 1 18 "Average Difference" N 86 2.644 -0.456 2.619 18431 104 1 18 "Average Difference" HA 97 0.220 0.061 0.213 18431 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18431 106 1 18 "Average Difference" CA 95 0.887 -0.154 0.878 18431 107 1 18 "Average Difference" CB 93 0.716 0.043 0.718 18431 108 1 18 "Average Difference" HN 89 0.493 -0.188 0.458 18431 109 1 19 "Average Difference" N 86 2.672 -0.629 2.612 18431 110 1 19 "Average Difference" HA 97 0.253 0.053 0.249 18431 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18431 112 1 19 "Average Difference" CA 95 1.009 -0.085 1.011 18431 113 1 19 "Average Difference" CB 93 0.757 0.112 0.753 18431 114 1 19 "Average Difference" HN 89 0.519 -0.170 0.493 18431 115 1 20 "Average Difference" N 86 2.813 -0.415 2.799 18431 116 1 20 "Average Difference" HA 97 0.216 0.056 0.210 18431 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18431 118 1 20 "Average Difference" CA 95 0.964 -0.110 0.963 18431 119 1 20 "Average Difference" CB 93 0.755 0.078 0.755 18431 120 1 20 "Average Difference" HN 89 0.484 -0.165 0.457 18431 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 18431 _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 9 9 ALA N N 9 123.345 123.345 125.512 -2.167 18431 2 1 . 1 1 9 9 ALA HA H 9 4.549 4.549 4.610 -0.061 18431 3 1 . 1 1 9 9 ALA CA C 9 50.151 50.151 51.169 -1.018 18431 4 1 . 1 1 9 9 ALA CB C 9 18.185 18.185 18.954 -0.769 18431 5 1 . 1 1 9 9 ALA H H 9 7.992 7.992 8.309 -0.318 18431 6 1 . 1 1 10 10 PRO HA H 10 4.299 4.299 4.378 -0.079 18431 7 1 . 1 1 10 10 PRO CA C 10 62.937 62.937 62.757 0.180 18431 8 1 . 1 1 10 10 PRO CB C 10 31.902 31.902 32.081 -0.179 18431 9 1 . 1 1 11 11 ASN N N 11 117.877 117.877 117.435 0.442 18431 10 1 . 1 1 11 11 ASN HA H 11 4.646 4.646 4.607 0.039 18431 11 1 . 1 1 11 11 ASN CA C 11 53.077 53.077 53.334 -0.257 18431 12 1 . 1 1 11 11 ASN CB C 11 38.590 38.590 38.191 0.399 18431 13 1 . 1 1 11 11 ASN H H 11 8.467 8.467 8.441 0.026 18431 14 1 . 1 1 12 12 LEU N N 12 122.874 122.874 120.197 2.677 18431 15 1 . 1 1 12 12 LEU HA H 12 4.290 4.290 4.582 -0.292 18431 16 1 . 1 1 12 12 LEU CA C 12 55.170 55.170 55.447 -0.277 18431 17 1 . 1 1 12 12 LEU CB C 12 42.131 42.131 42.753 -0.622 18431 18 1 . 1 1 12 12 LEU H H 12 8.196 8.196 8.010 0.186 18431 19 1 . 1 1 13 13 ALA N N 13 123.854 123.854 123.381 0.473 18431 20 1 . 1 1 13 13 ALA HA H 13 4.243 4.243 4.468 -0.225 18431 21 1 . 1 1 13 13 ALA CA C 13 52.672 52.672 52.062 0.610 18431 22 1 . 1 1 13 13 ALA CB C 13 18.923 18.923 19.689 -0.766 18431 23 1 . 1 1 13 13 ALA H H 13 8.214 8.214 8.036 0.178 18431 24 1 . 1 1 14 14 GLY N N 14 107.993 107.993 105.515 2.478 18431 25 1 . 1 1 14 14 GLY CA C 14 44.989 44.989 44.915 0.074 18431 26 1 . 1 1 14 14 GLY H H 14 8.246 8.246 8.377 -0.131 18431 27 1 . 1 1 15 15 ALA N N 15 123.594 123.594 120.949 2.645 18431 28 1 . 1 1 15 15 ALA HA H 15 4.330 4.330 4.049 0.281 18431 29 1 . 1 1 15 15 ALA CA C 15 52.147 52.147 52.312 -0.165 18431 30 1 . 1 1 15 15 ALA CB C 15 18.941 18.941 17.519 1.422 18431 31 1 . 1 1 15 15 ALA H H 15 8.017 8.017 7.906 0.111 18431 32 1 . 1 1 16 16 VAL N N 16 119.010 119.010 113.305 5.705 18431 33 1 . 1 1 16 16 VAL HA H 16 4.036 4.036 3.939 0.097 18431 34 1 . 1 1 16 16 VAL CA C 16 62.127 62.127 64.032 -1.905 18431 35 1 . 1 1 16 16 VAL CB C 16 32.727 32.727 31.982 0.745 18431 36 1 . 1 1 16 16 VAL H H 16 8.060 8.060 8.078 -0.018 18431 37 1 . 1 1 17 17 GLU N N 17 124.211 124.211 119.361 4.850 18431 38 1 . 1 1 17 17 GLU HA H 17 4.429 4.429 4.413 0.016 18431 39 1 . 1 1 17 17 GLU CA C 17 57.429 57.429 55.385 2.044 18431 40 1 . 1 1 17 17 GLU CB C 17 29.421 29.421 30.313 -0.892 18431 41 1 . 1 1 17 17 GLU H H 17 8.436 8.436 7.868 0.568 18431 42 1 . 1 1 18 18 PHE HA H 18 4.291 4.291 4.242 0.049 18431 43 1 . 1 1 18 18 PHE CA C 18 60.955 60.955 60.595 0.361 18431 44 1 . 1 1 18 18 PHE CB C 18 38.464 38.464 39.333 -0.869 18431 45 1 . 1 1 19 19 SER N N 19 112.147 112.147 113.955 -1.808 18431 46 1 . 1 1 19 19 SER HA H 19 3.659 3.659 3.863 -0.204 18431 47 1 . 1 1 19 19 SER CA C 19 61.576 61.576 61.585 -0.009 18431 48 1 . 1 1 19 19 SER CB C 19 61.649 61.649 62.401 -0.752 18431 49 1 . 1 1 19 19 SER H H 19 8.871 8.871 8.362 0.509 18431 50 1 . 1 1 20 20 ASP N N 20 120.916 120.916 121.568 -0.652 18431 51 1 . 1 1 20 20 ASP HA H 20 4.492 4.492 4.473 0.019 18431 52 1 . 1 1 20 20 ASP CA C 20 56.696 56.696 56.751 -0.055 18431 53 1 . 1 1 20 20 ASP CB C 20 40.543 40.543 40.694 -0.151 18431 54 1 . 1 1 20 20 ASP H H 20 7.019 7.019 7.643 -0.624 18431 55 1 . 1 1 21 21 VAL HA H 21 3.224 3.224 3.546 -0.322 18431 56 1 . 1 1 21 21 VAL CA C 21 66.801 66.801 66.115 0.686 18431 57 1 . 1 1 21 21 VAL CB C 21 31.741 31.741 31.541 0.200 18431 58 1 . 1 1 22 22 LYS HA H 22 3.435 3.435 3.871 -0.436 18431 59 1 . 1 1 22 22 LYS CA C 22 60.282 60.282 59.706 0.576 18431 60 1 . 1 1 22 22 LYS CB C 22 31.283 31.283 31.422 -0.139 18431 61 1 . 1 1 23 23 THR N N 23 116.224 116.224 116.987 -0.763 18431 62 1 . 1 1 23 23 THR HA H 23 3.796 3.796 4.111 -0.315 18431 63 1 . 1 1 23 23 THR CA C 23 66.591 66.591 66.779 -0.188 18431 64 1 . 1 1 23 23 THR CB C 23 68.361 68.361 68.738 -0.377 18431 65 1 . 1 1 23 23 THR H H 23 7.391 7.391 7.473 -0.082 18431 66 1 . 1 1 24 24 LEU HA H 24 4.022 4.022 4.173 -0.151 18431 67 1 . 1 1 24 24 LEU CA C 24 57.911 57.911 58.163 -0.252 18431 68 1 . 1 1 24 24 LEU CB C 24 42.110 42.110 41.604 0.506 18431 69 1 . 1 1 24 24 LEU H H 24 7.699 7.699 7.848 -0.149 18431 70 1 . 1 1 25 25 LEU N N 25 118.389 118.389 119.351 -0.962 18431 71 1 . 1 1 25 25 LEU HA H 25 4.135 4.135 4.205 -0.070 18431 72 1 . 1 1 25 25 LEU CA C 25 57.864 57.864 57.972 -0.108 18431 73 1 . 1 1 25 25 LEU CB C 25 42.653 42.653 41.860 0.793 18431 74 1 . 1 1 25 25 LEU H H 25 8.331 8.331 8.005 0.326 18431 75 1 . 1 1 26 26 LYS N N 26 118.433 118.433 119.252 -0.819 18431 76 1 . 1 1 26 26 LYS HA H 26 3.833 3.833 3.900 -0.067 18431 77 1 . 1 1 26 26 LYS CA C 26 60.095 60.095 59.276 0.819 18431 78 1 . 1 1 26 26 LYS CB C 26 31.623 31.623 32.151 -0.528 18431 79 1 . 1 1 26 26 LYS H H 26 8.464 8.464 8.055 0.409 18431 80 1 . 1 1 27 27 GLU N N 27 120.838 120.838 119.645 1.193 18431 81 1 . 1 1 27 27 GLU HA H 27 3.945 3.945 4.233 -0.288 18431 82 1 . 1 1 27 27 GLU CA C 27 59.509 59.509 58.780 0.729 18431 83 1 . 1 1 27 27 GLU CB C 27 29.199 29.199 29.565 -0.366 18431 84 1 . 1 1 27 27 GLU H H 27 8.246 8.246 8.451 -0.205 18431 85 1 . 1 1 28 28 TRP N N 28 122.200 122.200 121.441 0.759 18431 86 1 . 1 1 28 28 TRP HA H 28 4.597 4.597 4.591 0.006 18431 87 1 . 1 1 28 28 TRP CA C 28 59.443 59.443 60.586 -1.143 18431 88 1 . 1 1 28 28 TRP CB C 28 29.083 29.083 29.512 -0.429 18431 89 1 . 1 1 28 28 TRP H H 28 8.143 8.143 8.060 0.083 18431 90 1 . 1 1 29 29 ILE N N 29 114.954 114.954 116.872 -1.918 18431 91 1 . 1 1 29 29 ILE HA H 29 2.742 2.742 3.368 -0.626 18431 92 1 . 1 1 29 29 ILE CA C 29 62.759 62.759 62.748 0.011 18431 93 1 . 1 1 29 29 ILE CB C 29 37.992 37.992 38.195 -0.203 18431 94 1 . 1 1 29 29 ILE H H 29 7.999 7.999 7.383 0.616 18431 95 1 . 1 1 30 30 THR N N 30 106.869 106.869 113.334 -6.465 18431 96 1 . 1 1 30 30 THR HA H 30 4.117 4.117 4.143 -0.026 18431 97 1 . 1 1 30 30 THR CA C 30 63.447 63.447 64.646 -1.199 18431 98 1 . 1 1 30 30 THR CB C 30 70.045 70.045 69.172 0.873 18431 99 1 . 1 1 30 30 THR H H 30 7.622 7.622 7.709 -0.087 18431 100 1 . 1 1 31 31 THR N N 31 111.890 111.890 114.982 -3.092 18431 101 1 . 1 1 31 31 THR HA H 31 4.503 4.503 4.129 0.374 18431 102 1 . 1 1 31 31 THR CA C 31 63.231 63.231 64.590 -1.359 18431 103 1 . 1 1 31 31 THR CB C 31 70.556 70.556 69.129 1.427 18431 104 1 . 1 1 31 31 THR H H 31 7.588 7.588 8.015 -0.427 18431 105 1 . 1 1 32 32 ILE N N 32 123.663 123.663 121.614 2.049 18431 106 1 . 1 1 32 32 ILE HA H 32 4.499 4.499 4.303 0.196 18431 107 1 . 1 1 32 32 ILE CA C 32 59.426 59.426 59.851 -0.425 18431 108 1 . 1 1 32 32 ILE CB C 32 37.378 37.378 38.181 -0.803 18431 109 1 . 1 1 32 32 ILE H H 32 7.929 7.929 7.508 0.421 18431 110 1 . 1 1 33 33 SER N N 33 119.544 119.544 117.846 1.698 18431 111 1 . 1 1 33 33 SER HA H 33 4.523 4.523 4.742 -0.219 18431 112 1 . 1 1 33 33 SER CA C 33 59.189 59.189 58.812 0.377 18431 113 1 . 1 1 33 33 SER CB C 33 63.838 63.838 65.247 -1.409 18431 114 1 . 1 1 33 33 SER H H 33 8.418 8.418 8.625 -0.207 18431 115 1 . 1 1 34 34 ASP HA H 34 4.821 4.821 4.788 0.033 18431 116 1 . 1 1 34 34 ASP CA C 34 51.168 51.168 51.952 -0.784 18431 117 1 . 1 1 34 34 ASP CB C 34 41.139 41.139 41.613 -0.473 18431 118 1 . 1 1 34 34 ASP H H 34 7.730 7.730 8.163 -0.433 18431 119 1 . 1 1 35 35 PRO HA H 35 4.167 4.167 4.465 -0.298 18431 120 1 . 1 1 35 35 PRO CA C 35 62.085 62.085 62.814 -0.729 18431 121 1 . 1 1 35 35 PRO CB C 35 31.767 31.767 32.752 -0.985 18431 122 1 . 1 1 36 36 MET N N 36 121.309 121.309 118.571 2.738 18431 123 1 . 1 1 36 36 MET HA H 36 4.565 4.565 4.647 -0.082 18431 124 1 . 1 1 36 36 MET CA C 36 53.867 53.867 53.961 -0.094 18431 125 1 . 1 1 36 36 MET CB C 36 32.411 32.411 34.855 -2.444 18431 126 1 . 1 1 36 36 MET H H 36 9.165 9.165 8.403 0.762 18431 127 1 . 1 1 37 37 GLU N N 37 125.284 125.284 120.694 4.590 18431 128 1 . 1 1 37 37 GLU HA H 37 3.744 3.744 3.879 -0.135 18431 129 1 . 1 1 37 37 GLU CA C 37 60.307 60.307 59.602 0.704 18431 130 1 . 1 1 37 37 GLU CB C 37 29.448 29.448 28.890 0.558 18431 131 1 . 1 1 37 37 GLU H H 37 9.034 9.034 8.882 0.152 18431 132 1 . 1 1 38 38 GLU N N 38 116.000 116.000 117.859 -1.859 18431 133 1 . 1 1 38 38 GLU HA H 38 4.003 4.003 4.042 -0.039 18431 134 1 . 1 1 38 38 GLU CA C 38 59.588 59.588 59.037 0.551 18431 135 1 . 1 1 38 38 GLU CB C 38 29.280 29.280 28.848 0.432 18431 136 1 . 1 1 38 38 GLU H H 38 9.356 9.356 8.777 0.579 18431 137 1 . 1 1 39 39 ASP N N 39 118.974 118.974 120.593 -1.619 18431 138 1 . 1 1 39 39 ASP HA H 39 4.493 4.493 4.437 0.056 18431 139 1 . 1 1 39 39 ASP CA C 39 57.231 57.231 57.183 0.048 18431 140 1 . 1 1 39 39 ASP CB C 39 41.226 41.226 40.637 0.589 18431 141 1 . 1 1 39 39 ASP H H 39 7.169 7.169 7.981 -0.812 18431 142 1 . 1 1 40 40 ILE N N 40 120.269 120.269 119.510 0.759 18431 143 1 . 1 1 40 40 ILE HA H 40 3.845 3.845 3.998 -0.153 18431 144 1 . 1 1 40 40 ILE CA C 40 65.345 65.345 64.674 0.671 18431 145 1 . 1 1 40 40 ILE CB C 40 37.500 37.500 38.040 -0.540 18431 146 1 . 1 1 40 40 ILE H H 40 7.766 7.766 7.477 0.289 18431 147 1 . 1 1 41 41 LEU N N 41 118.715 118.715 119.641 -0.926 18431 148 1 . 1 1 41 41 LEU HA H 41 4.131 4.131 4.107 0.024 18431 149 1 . 1 1 41 41 LEU CA C 41 57.835 57.835 57.519 0.316 18431 150 1 . 1 1 41 41 LEU CB C 41 40.819 40.819 41.099 -0.280 18431 151 1 . 1 1 41 41 LEU H H 41 8.726 8.726 7.811 0.915 18431 152 1 . 1 1 42 42 GLN N N 42 119.539 119.539 118.879 0.660 18431 153 1 . 1 1 42 42 GLN HA H 42 4.177 4.177 4.084 0.093 18431 154 1 . 1 1 42 42 GLN CA C 42 59.241 59.241 58.692 0.549 18431 155 1 . 1 1 42 42 GLN CB C 42 28.518 28.518 28.369 0.149 18431 156 1 . 1 1 42 42 GLN H H 42 7.768 7.768 7.906 -0.138 18431 157 1 . 1 1 43 43 VAL N N 43 121.194 121.194 115.921 5.273 18431 158 1 . 1 1 43 43 VAL HA H 43 3.787 3.787 3.751 0.036 18431 159 1 . 1 1 43 43 VAL CA C 43 66.760 66.760 65.883 0.877 18431 160 1 . 1 1 43 43 VAL CB C 43 31.423 31.423 31.048 0.375 18431 161 1 . 1 1 43 43 VAL H H 43 7.712 7.712 7.471 0.241 18431 162 1 . 1 1 44 44 VAL N N 44 120.876 120.876 120.133 0.743 18431 163 1 . 1 1 44 44 VAL HA H 44 3.422 3.422 3.828 -0.406 18431 164 1 . 1 1 44 44 VAL CA C 44 67.910 67.910 65.949 1.961 18431 165 1 . 1 1 44 44 VAL CB C 44 31.392 31.392 30.991 0.401 18431 166 1 . 1 1 44 44 VAL H H 44 8.232 8.232 7.506 0.726 18431 167 1 . 1 1 45 45 ARG N N 45 120.934 120.934 120.506 0.428 18431 168 1 . 1 1 45 45 ARG HA H 45 4.148 4.148 4.074 0.074 18431 169 1 . 1 1 45 45 ARG CA C 45 58.593 58.593 58.624 -0.031 18431 170 1 . 1 1 45 45 ARG CB C 45 29.608 29.608 29.466 0.142 18431 171 1 . 1 1 45 45 ARG H H 45 8.489 8.489 7.799 0.690 18431 172 1 . 1 1 46 46 TYR N N 46 120.548 120.548 121.098 -0.550 18431 173 1 . 1 1 46 46 TYR HA H 46 4.547 4.547 4.286 0.261 18431 174 1 . 1 1 46 46 TYR CA C 46 60.926 60.926 61.192 -0.266 18431 175 1 . 1 1 46 46 TYR CB C 46 38.447 38.447 38.137 0.310 18431 176 1 . 1 1 46 46 TYR H H 46 7.870 7.870 7.755 0.115 18431 177 1 . 1 1 47 47 CYS N N 47 115.132 115.132 117.404 -2.272 18431 178 1 . 1 1 47 47 CYS HA H 47 3.738 3.738 3.767 -0.029 18431 179 1 . 1 1 47 47 CYS CA C 47 64.313 64.313 63.427 0.886 18431 180 1 . 1 1 47 47 CYS CB C 47 27.744 27.744 27.396 0.348 18431 181 1 . 1 1 47 47 CYS H H 47 8.109 8.109 7.775 0.334 18431 182 1 . 1 1 48 48 THR N N 48 114.153 114.153 116.041 -1.888 18431 183 1 . 1 1 48 48 THR HA H 48 3.877 3.877 4.024 -0.147 18431 184 1 . 1 1 48 48 THR CA C 48 66.755 66.755 66.955 -0.200 18431 185 1 . 1 1 48 48 THR CB C 48 67.593 67.593 68.129 -0.536 18431 186 1 . 1 1 48 48 THR H H 48 8.776 8.776 8.151 0.625 18431 187 1 . 1 1 49 49 ASP N N 49 126.528 126.528 121.266 5.262 18431 188 1 . 1 1 49 49 ASP HA H 49 4.425 4.425 4.515 -0.090 18431 189 1 . 1 1 49 49 ASP CA C 49 57.688 57.688 56.746 0.942 18431 190 1 . 1 1 49 49 ASP CB C 49 39.249 39.249 40.691 -1.442 18431 191 1 . 1 1 49 49 ASP H H 49 8.697 8.697 7.899 0.798 18431 192 1 . 1 1 50 50 LEU HA H 50 3.924 3.924 4.028 -0.104 18431 193 1 . 1 1 50 50 LEU CA C 50 58.157 58.157 57.569 0.588 18431 194 1 . 1 1 50 50 LEU CB C 50 41.408 41.408 41.983 -0.575 18431 195 1 . 1 1 51 51 ILE N N 51 118.832 118.832 117.391 1.441 18431 196 1 . 1 1 51 51 ILE HA H 51 3.417 3.417 3.718 -0.301 18431 197 1 . 1 1 51 51 ILE CA C 51 66.261 66.261 64.993 1.268 18431 198 1 . 1 1 51 51 ILE CB C 51 37.691 37.691 37.389 0.302 18431 199 1 . 1 1 51 51 ILE H H 51 7.639 7.639 7.517 0.122 18431 200 1 . 1 1 52 52 GLU N N 52 123.247 123.247 118.964 4.283 18431 201 1 . 1 1 52 52 GLU HA H 52 4.001 4.001 4.148 -0.147 18431 202 1 . 1 1 52 52 GLU CA C 52 59.592 59.592 58.646 0.946 18431 203 1 . 1 1 52 52 GLU CB C 52 29.068 29.068 29.433 -0.365 18431 204 1 . 1 1 52 52 GLU H H 52 8.506 8.506 8.021 0.485 18431 205 1 . 1 1 53 53 GLU N N 53 116.384 116.384 116.136 0.248 18431 206 1 . 1 1 53 53 GLU HA H 53 4.294 4.294 4.446 -0.152 18431 207 1 . 1 1 53 53 GLU CA C 53 55.907 55.907 55.826 0.081 18431 208 1 . 1 1 53 53 GLU CB C 53 29.710 29.710 29.643 0.067 18431 209 1 . 1 1 53 53 GLU H H 53 7.716 7.716 7.707 0.009 18431 210 1 . 1 1 54 54 LYS N N 54 116.934 116.934 114.518 2.416 18431 211 1 . 1 1 54 54 LYS HA H 54 3.662 3.662 3.964 -0.302 18431 212 1 . 1 1 54 54 LYS CA C 54 57.278 57.278 58.011 -0.733 18431 213 1 . 1 1 54 54 LYS CB C 54 29.785 29.785 30.148 -0.364 18431 214 1 . 1 1 54 54 LYS H H 54 8.089 8.089 7.503 0.585 18431 215 1 . 1 1 55 55 ASP N N 55 122.549 122.549 119.066 3.483 18431 216 1 . 1 1 55 55 ASP HA H 55 5.058 5.058 4.800 0.258 18431 217 1 . 1 1 55 55 ASP CA C 55 51.306 51.306 53.564 -2.258 18431 218 1 . 1 1 55 55 ASP CB C 55 38.856 38.856 40.299 -1.443 18431 219 1 . 1 1 55 55 ASP H H 55 8.497 8.497 8.314 0.183 18431 220 1 . 1 1 56 56 LEU N N 56 119.627 119.627 117.077 2.550 18431 221 1 . 1 1 56 56 LEU HA H 56 3.901 3.901 4.321 -0.420 18431 222 1 . 1 1 56 56 LEU CA C 56 56.528 56.528 55.379 1.149 18431 223 1 . 1 1 56 56 LEU CB C 56 40.034 40.034 40.327 -0.293 18431 224 1 . 1 1 56 56 LEU H H 56 7.578 7.578 7.962 -0.384 18431 225 1 . 1 1 57 57 GLU N N 57 121.433 121.433 120.987 0.447 18431 226 1 . 1 1 57 57 GLU HA H 57 4.041 4.041 3.871 0.171 18431 227 1 . 1 1 57 57 GLU CA C 57 59.321 59.321 59.751 -0.430 18431 228 1 . 1 1 57 57 GLU CB C 57 29.229 29.229 28.945 0.284 18431 229 1 . 1 1 57 57 GLU H H 57 8.614 8.614 8.445 0.169 18431 230 1 . 1 1 58 58 LYS N N 58 119.832 119.832 117.907 1.925 18431 231 1 . 1 1 58 58 LYS HA H 58 3.760 3.760 3.930 -0.170 18431 232 1 . 1 1 58 58 LYS CA C 58 59.273 59.273 58.341 0.932 18431 233 1 . 1 1 58 58 LYS CB C 58 32.370 32.370 32.130 0.240 18431 234 1 . 1 1 58 58 LYS H H 58 7.527 7.527 7.592 -0.065 18431 235 1 . 1 1 59 59 LEU N N 59 117.844 117.844 121.437 -3.593 18431 236 1 . 1 1 59 59 LEU HA H 59 3.912 3.912 4.012 -0.100 18431 237 1 . 1 1 59 59 LEU CA C 59 57.865 57.865 57.853 0.012 18431 238 1 . 1 1 59 59 LEU CB C 59 41.382 41.382 41.543 -0.161 18431 239 1 . 1 1 59 59 LEU H H 59 7.570 7.570 7.600 -0.030 18431 240 1 . 1 1 60 60 ASP N N 60 117.630 117.630 118.602 -0.972 18431 241 1 . 1 1 60 60 ASP HA H 60 4.273 4.273 4.307 -0.034 18431 242 1 . 1 1 60 60 ASP CA C 60 57.695 57.695 57.591 0.104 18431 243 1 . 1 1 60 60 ASP CB C 60 42.074 42.074 40.781 1.293 18431 244 1 . 1 1 60 60 ASP H H 60 7.849 7.849 8.061 -0.212 18431 245 1 . 1 1 61 61 LEU N N 61 116.500 116.500 118.464 -1.964 18431 246 1 . 1 1 61 61 LEU HA H 61 3.924 3.924 4.132 -0.208 18431 247 1 . 1 1 61 61 LEU CA C 61 57.886 57.886 56.940 0.946 18431 248 1 . 1 1 61 61 LEU CB C 61 41.825 41.825 41.692 0.133 18431 249 1 . 1 1 61 61 LEU H H 61 7.484 7.484 7.279 0.205 18431 250 1 . 1 1 62 62 VAL N N 62 120.681 120.681 119.507 1.174 18431 251 1 . 1 1 62 62 VAL HA H 62 3.963 3.963 3.920 0.043 18431 252 1 . 1 1 62 62 VAL CA C 62 66.843 66.843 66.399 0.444 18431 253 1 . 1 1 62 62 VAL CB C 62 31.954 31.954 31.340 0.614 18431 254 1 . 1 1 62 62 VAL H H 62 8.682 8.682 7.440 1.242 18431 255 1 . 1 1 63 63 ILE N N 63 122.448 122.448 118.512 3.936 18431 256 1 . 1 1 63 63 ILE HA H 63 3.995 3.995 3.855 0.140 18431 257 1 . 1 1 63 63 ILE CA C 63 63.777 63.777 64.241 -0.464 18431 258 1 . 1 1 63 63 ILE CB C 63 35.707 35.707 36.411 -0.704 18431 259 1 . 1 1 63 63 ILE H H 63 8.824 8.824 8.127 0.697 18431 260 1 . 1 1 64 64 LYS N N 64 118.898 118.898 118.903 -0.005 18431 261 1 . 1 1 64 64 LYS HA H 64 3.889 3.889 4.138 -0.249 18431 262 1 . 1 1 64 64 LYS CA C 64 60.416 60.416 59.121 1.295 18431 263 1 . 1 1 64 64 LYS CB C 64 32.563 32.563 32.029 0.534 18431 264 1 . 1 1 64 64 LYS H H 64 8.368 8.368 7.765 0.603 18431 265 1 . 1 1 65 65 TYR N N 65 121.217 121.217 121.634 -0.417 18431 266 1 . 1 1 65 65 TYR HA H 65 4.330 4.330 4.366 -0.036 18431 267 1 . 1 1 65 65 TYR CA C 65 61.779 61.779 60.865 0.914 18431 268 1 . 1 1 65 65 TYR CB C 65 38.898 38.898 38.822 0.076 18431 269 1 . 1 1 65 65 TYR H H 65 8.200 8.200 7.675 0.525 18431 270 1 . 1 1 66 66 MET N N 66 116.741 116.741 118.531 -1.790 18431 271 1 . 1 1 66 66 MET HA H 66 3.682 3.682 4.024 -0.342 18431 272 1 . 1 1 66 66 MET CA C 66 60.444 60.444 59.168 1.276 18431 273 1 . 1 1 66 66 MET CB C 66 33.627 33.627 33.214 0.413 18431 274 1 . 1 1 66 66 MET H H 66 8.681 8.681 8.723 -0.042 18431 275 1 . 1 1 67 67 LYS N N 67 119.826 119.826 118.157 1.669 18431 276 1 . 1 1 67 67 LYS HA H 67 2.637 2.637 3.116 -0.479 18431 277 1 . 1 1 67 67 LYS CA C 67 59.949 59.949 58.855 1.094 18431 278 1 . 1 1 67 67 LYS CB C 67 32.596 32.596 31.743 0.853 18431 279 1 . 1 1 67 67 LYS H H 67 8.563 8.563 8.098 0.465 18431 280 1 . 1 1 68 68 ARG N N 68 116.343 116.343 118.374 -2.031 18431 281 1 . 1 1 68 68 ARG HA H 68 3.859 3.859 4.220 -0.361 18431 282 1 . 1 1 68 68 ARG CA C 68 58.254 58.254 58.141 0.113 18431 283 1 . 1 1 68 68 ARG CB C 68 29.605 29.605 29.854 -0.249 18431 284 1 . 1 1 68 68 ARG H H 68 7.117 7.117 7.484 -0.367 18431 285 1 . 1 1 69 69 LEU N N 69 116.573 116.573 121.201 -4.628 18431 286 1 . 1 1 69 69 LEU HA H 69 3.847 3.847 4.007 -0.160 18431 287 1 . 1 1 69 69 LEU CA C 69 56.861 56.861 56.934 -0.073 18431 288 1 . 1 1 69 69 LEU CB C 69 42.950 42.950 42.015 0.935 18431 289 1 . 1 1 69 69 LEU H H 69 7.360 7.360 7.437 -0.077 18431 290 1 . 1 1 70 70 MET N N 70 115.874 115.874 116.400 -0.526 18431 291 1 . 1 1 70 70 MET HA H 70 3.823 3.823 3.831 -0.008 18431 292 1 . 1 1 70 70 MET CA C 70 59.195 59.195 58.163 1.032 18431 293 1 . 1 1 70 70 MET CB C 70 32.315 32.315 32.027 0.288 18431 294 1 . 1 1 70 70 MET H H 70 8.769 8.769 7.919 0.850 18431 295 1 . 1 1 71 71 GLN N N 71 114.286 114.286 117.253 -2.967 18431 296 1 . 1 1 71 71 GLN HA H 71 4.416 4.416 3.966 0.450 18431 297 1 . 1 1 71 71 GLN CA C 71 56.527 56.527 58.465 -1.938 18431 298 1 . 1 1 71 71 GLN CB C 71 27.446 27.446 28.572 -1.126 18431 299 1 . 1 1 71 71 GLN H H 71 7.522 7.522 7.635 -0.113 18431 300 1 . 1 1 72 72 GLN N N 72 117.645 117.645 115.953 1.692 18431 301 1 . 1 1 72 72 GLN HA H 72 4.198 4.198 4.057 0.141 18431 302 1 . 1 1 72 72 GLN CA C 72 56.549 56.549 56.766 -0.217 18431 303 1 . 1 1 72 72 GLN CB C 72 28.824 28.824 28.480 0.344 18431 304 1 . 1 1 72 72 GLN H H 72 7.279 7.279 7.542 -0.263 18431 305 1 . 1 1 73 73 SER N N 73 113.600 113.600 115.428 -1.828 18431 306 1 . 1 1 73 73 SER HA H 73 4.504 4.504 4.406 0.098 18431 307 1 . 1 1 73 73 SER CA C 73 57.600 57.600 57.920 -0.320 18431 308 1 . 1 1 73 73 SER CB C 73 63.542 63.542 64.504 -0.962 18431 309 1 . 1 1 73 73 SER H H 73 7.588 7.588 7.421 0.167 18431 310 1 . 1 1 74 74 VAL N N 74 121.652 121.652 118.535 3.117 18431 311 1 . 1 1 74 74 VAL HA H 74 4.136 4.136 4.208 -0.072 18431 312 1 . 1 1 74 74 VAL CA C 74 62.985 62.985 62.442 0.543 18431 313 1 . 1 1 74 74 VAL CB C 74 31.797 31.797 32.351 -0.554 18431 314 1 . 1 1 74 74 VAL H H 74 8.300 8.300 8.252 0.048 18431 315 1 . 1 1 75 75 GLU N N 75 120.481 120.481 121.815 -1.334 18431 316 1 . 1 1 75 75 GLU HA H 75 4.415 4.415 4.329 0.086 18431 317 1 . 1 1 75 75 GLU CA C 75 56.061 56.061 56.999 -0.938 18431 318 1 . 1 1 75 75 GLU CB C 75 29.153 29.153 29.745 -0.593 18431 319 1 . 1 1 75 75 GLU H H 75 8.486 8.486 8.318 0.168 18431 320 1 . 1 1 76 76 SER HA H 76 4.498 4.498 4.188 0.310 18431 321 1 . 1 1 76 76 SER CA C 76 59.426 59.426 61.538 -2.112 18431 322 1 . 1 1 76 76 SER CB C 76 64.071 64.071 63.170 0.902 18431 323 1 . 1 1 76 76 SER H H 76 8.142 8.142 8.851 -0.709 18431 324 1 . 1 1 77 77 VAL N N 77 122.712 122.712 121.356 1.356 18431 325 1 . 1 1 77 77 VAL HA H 77 4.036 4.036 3.735 0.301 18431 326 1 . 1 1 77 77 VAL CA C 77 64.600 64.600 65.500 -0.900 18431 327 1 . 1 1 77 77 VAL CB C 77 30.843 30.843 31.427 -0.584 18431 328 1 . 1 1 77 77 VAL H H 77 8.750 8.750 8.031 0.718 18431 329 1 . 1 1 78 78 TRP N N 78 121.247 121.247 119.489 1.758 18431 330 1 . 1 1 78 78 TRP HA H 78 4.507 4.507 4.339 0.167 18431 331 1 . 1 1 78 78 TRP CA C 78 59.753 59.753 60.639 -0.886 18431 332 1 . 1 1 78 78 TRP CB C 78 29.332 29.332 29.383 -0.051 18431 333 1 . 1 1 78 78 TRP H H 78 7.837 7.837 7.489 0.348 18431 334 1 . 1 1 79 79 ASN N N 79 119.032 119.032 117.750 1.282 18431 335 1 . 1 1 79 79 ASN HA H 79 4.382 4.382 4.521 -0.139 18431 336 1 . 1 1 79 79 ASN CA C 79 57.406 57.406 56.816 0.590 18431 337 1 . 1 1 79 79 ASN CB C 79 38.813 38.813 38.458 0.355 18431 338 1 . 1 1 79 79 ASN H H 79 7.856 7.856 8.056 -0.199 18431 339 1 . 1 1 80 80 MET N N 80 117.280 117.280 118.325 -1.045 18431 340 1 . 1 1 80 80 MET HA H 80 4.383 4.383 4.372 0.011 18431 341 1 . 1 1 80 80 MET CA C 80 58.111 58.111 58.334 -0.223 18431 342 1 . 1 1 80 80 MET CB C 80 32.350 32.350 32.214 0.136 18431 343 1 . 1 1 80 80 MET H H 80 7.765 7.765 8.601 -0.836 18431 344 1 . 1 1 81 81 ALA N N 81 123.582 123.582 123.106 0.476 18431 345 1 . 1 1 81 81 ALA HA H 81 4.220 4.220 4.121 0.099 18431 346 1 . 1 1 81 81 ALA CA C 81 54.997 54.997 55.215 -0.218 18431 347 1 . 1 1 81 81 ALA CB C 81 17.615 17.615 17.964 -0.349 18431 348 1 . 1 1 81 81 ALA H H 81 8.019 8.019 7.819 0.200 18431 349 1 . 1 1 82 82 PHE N N 82 117.853 117.853 119.562 -1.709 18431 350 1 . 1 1 82 82 PHE HA H 82 4.201 4.201 4.271 -0.070 18431 351 1 . 1 1 82 82 PHE CA C 82 62.679 62.679 60.544 2.135 18431 352 1 . 1 1 82 82 PHE CB C 82 38.078 38.078 38.913 -0.835 18431 353 1 . 1 1 82 82 PHE H H 82 8.455 8.455 8.408 0.047 18431 354 1 . 1 1 83 83 ASP N N 83 118.244 118.244 119.389 -1.145 18431 355 1 . 1 1 83 83 ASP HA H 83 4.250 4.250 3.977 0.273 18431 356 1 . 1 1 83 83 ASP CA C 83 57.602 57.602 57.613 -0.011 18431 357 1 . 1 1 83 83 ASP CB C 83 40.117 40.117 40.582 -0.465 18431 358 1 . 1 1 83 83 ASP H H 83 7.615 7.615 7.946 -0.331 18431 359 1 . 1 1 84 84 PHE N N 84 120.090 120.090 120.079 0.011 18431 360 1 . 1 1 84 84 PHE HA H 84 4.319 4.319 4.260 0.059 18431 361 1 . 1 1 84 84 PHE CA C 84 61.110 61.110 61.238 -0.128 18431 362 1 . 1 1 84 84 PHE CB C 84 39.225 39.225 39.570 -0.345 18431 363 1 . 1 1 84 84 PHE H H 84 7.849 7.849 7.526 0.323 18431 364 1 . 1 1 85 85 ILE N N 85 122.915 122.915 120.161 2.754 18431 365 1 . 1 1 85 85 ILE HA H 85 3.372 3.372 3.622 -0.250 18431 366 1 . 1 1 85 85 ILE CA C 85 65.864 65.864 66.029 -0.164 18431 367 1 . 1 1 85 85 ILE CB C 85 38.422 38.422 38.049 0.373 18431 368 1 . 1 1 85 85 ILE H H 85 8.687 8.687 8.696 -0.009 18431 369 1 . 1 1 86 86 LEU N N 86 119.481 119.481 117.539 1.942 18431 370 1 . 1 1 86 86 LEU HA H 86 3.715 3.715 3.926 -0.211 18431 371 1 . 1 1 86 86 LEU CA C 86 57.875 57.875 58.433 -0.558 18431 372 1 . 1 1 86 86 LEU CB C 86 40.602 40.602 40.661 -0.059 18431 373 1 . 1 1 86 86 LEU H H 86 8.682 8.682 8.253 0.429 18431 374 1 . 1 1 87 87 ASP N N 87 118.290 118.290 118.979 -0.689 18431 375 1 . 1 1 87 87 ASP HA H 87 4.255 4.255 4.203 0.052 18431 376 1 . 1 1 87 87 ASP CA C 87 57.604 57.604 57.101 0.503 18431 377 1 . 1 1 87 87 ASP CB C 87 40.580 40.580 40.488 0.092 18431 378 1 . 1 1 87 87 ASP H H 87 8.301 8.301 7.700 0.601 18431 379 1 . 1 1 88 88 ASN N N 88 115.606 115.606 117.919 -2.313 18431 380 1 . 1 1 88 88 ASN HA H 88 4.139 4.139 4.372 -0.233 18431 381 1 . 1 1 88 88 ASN CA C 88 57.067 57.067 56.080 0.988 18431 382 1 . 1 1 88 88 ASN CB C 88 39.734 39.734 38.969 0.766 18431 383 1 . 1 1 88 88 ASN H H 88 7.421 7.421 7.738 -0.317 18431 384 1 . 1 1 89 89 VAL N N 89 120.092 120.092 117.486 2.606 18431 385 1 . 1 1 89 89 VAL HA H 89 3.421 3.421 3.860 -0.439 18431 386 1 . 1 1 89 89 VAL CA C 89 66.777 66.777 65.719 1.058 18431 387 1 . 1 1 89 89 VAL CB C 89 31.592 31.592 31.197 0.395 18431 388 1 . 1 1 89 89 VAL H H 89 8.367 8.367 7.797 0.570 18431 389 1 . 1 1 90 90 GLN N N 90 118.315 118.315 118.273 0.042 18431 390 1 . 1 1 90 90 GLN HA H 90 4.427 4.427 4.137 0.290 18431 391 1 . 1 1 90 90 GLN CA C 90 58.918 58.918 58.211 0.707 18431 392 1 . 1 1 90 90 GLN CB C 90 28.471 28.471 28.533 -0.062 18431 393 1 . 1 1 90 90 GLN H H 90 8.780 8.780 8.170 0.610 18431 394 1 . 1 1 91 91 VAL N N 91 118.757 118.757 120.480 -1.723 18431 395 1 . 1 1 91 91 VAL HA H 91 3.720 3.720 3.716 0.004 18431 396 1 . 1 1 91 91 VAL CA C 91 66.303 66.303 65.840 0.463 18431 397 1 . 1 1 91 91 VAL CB C 91 31.641 31.641 31.724 -0.083 18431 398 1 . 1 1 91 91 VAL H H 91 7.640 7.640 7.558 0.082 18431 399 1 . 1 1 92 92 VAL N N 92 120.289 120.289 120.008 0.281 18431 400 1 . 1 1 92 92 VAL HA H 92 3.728 3.728 3.671 0.057 18431 401 1 . 1 1 92 92 VAL CA C 92 66.270 66.270 66.332 -0.063 18431 402 1 . 1 1 92 92 VAL CB C 92 31.354 31.354 31.888 -0.534 18431 403 1 . 1 1 92 92 VAL H H 92 7.382 7.382 7.883 -0.501 18431 404 1 . 1 1 93 93 LEU N N 93 123.817 123.817 116.696 7.121 18431 405 1 . 1 1 93 93 LEU HA H 93 4.038 4.038 4.276 -0.238 18431 406 1 . 1 1 93 93 LEU CA C 93 58.777 58.777 57.850 0.927 18431 407 1 . 1 1 93 93 LEU CB C 93 41.790 41.790 41.375 0.415 18431 408 1 . 1 1 93 93 LEU H H 93 8.813 8.813 7.424 1.389 18431 409 1 . 1 1 94 94 GLN N N 94 119.660 119.660 119.535 0.125 18431 410 1 . 1 1 94 94 GLN HA H 94 3.990 3.990 4.280 -0.290 18431 411 1 . 1 1 94 94 GLN CA C 94 58.977 58.977 58.560 0.417 18431 412 1 . 1 1 94 94 GLN CB C 94 28.270 28.270 28.446 -0.176 18431 413 1 . 1 1 94 94 GLN H H 94 8.469 8.469 7.782 0.687 18431 414 1 . 1 1 95 95 GLN N N 95 117.593 117.593 116.889 0.704 18431 415 1 . 1 1 95 95 GLN HA H 95 4.068 4.068 4.157 -0.089 18431 416 1 . 1 1 95 95 GLN CA C 95 57.991 57.991 58.136 -0.145 18431 417 1 . 1 1 95 95 GLN CB C 95 28.548 28.548 28.753 -0.205 18431 418 1 . 1 1 95 95 GLN H H 95 8.088 8.088 7.665 0.423 18431 419 1 . 1 1 96 96 THR N N 96 113.065 113.065 112.443 0.622 18431 420 1 . 1 1 96 96 THR HA H 96 4.003 4.003 4.146 -0.143 18431 421 1 . 1 1 96 96 THR CA C 96 64.857 64.857 64.095 0.762 18431 422 1 . 1 1 96 96 THR CB C 96 69.618 69.618 69.328 0.290 18431 423 1 . 1 1 96 96 THR H H 96 7.970 7.970 7.661 0.309 18431 424 1 . 1 1 97 97 TYR N N 97 118.178 118.178 118.617 -0.439 18431 425 1 . 1 1 97 97 TYR HA H 97 4.717 4.717 4.551 0.166 18431 426 1 . 1 1 97 97 TYR CA C 97 58.312 58.312 59.666 -1.354 18431 427 1 . 1 1 97 97 TYR CB C 97 40.223 40.223 39.800 0.423 18431 428 1 . 1 1 97 97 TYR H H 97 8.438 8.438 8.369 0.069 18431 429 1 . 1 1 98 98 GLY N N 98 109.735 109.735 104.553 5.182 18431 430 1 . 1 1 98 98 GLY CA C 98 45.908 45.908 45.051 0.857 18431 431 1 . 1 1 98 98 GLY H H 98 8.014 8.014 8.067 -0.053 18431 432 1 . 1 1 99 99 SER N N 99 114.137 114.137 114.605 -0.468 18431 433 1 . 1 1 99 99 SER HA H 99 4.642 4.642 4.788 -0.146 18431 434 1 . 1 1 99 99 SER CA C 99 57.226 57.226 56.843 0.383 18431 435 1 . 1 1 99 99 SER CB C 99 64.294 64.294 65.176 -0.882 18431 436 1 . 1 1 99 99 SER H H 99 7.666 7.666 7.950 -0.284 18431 437 1 . 1 1 100 100 THR N N 100 110.514 110.514 111.576 -1.062 18431 438 1 . 1 1 100 100 THR HA H 100 4.424 4.424 4.530 -0.106 18431 439 1 . 1 1 100 100 THR CA C 100 60.964 60.964 60.469 0.495 18431 440 1 . 1 1 100 100 THR CB C 100 70.303 70.303 71.141 -0.838 18431 441 1 . 1 1 100 100 THR H H 100 7.899 7.899 8.050 -0.151 18431 442 1 . 1 1 101 101 LEU N N 101 124.047 124.047 121.273 2.774 18431 443 1 . 1 1 101 101 LEU HA H 101 4.313 4.313 4.468 -0.155 18431 444 1 . 1 1 101 101 LEU CA C 101 54.930 54.930 54.303 0.627 18431 445 1 . 1 1 101 101 LEU CB C 101 42.501 42.501 43.085 -0.584 18431 446 1 . 1 1 101 101 LEU H H 101 8.847 8.847 8.310 0.537 18431 447 1 . 1 1 102 102 LYS N N 102 124.883 124.883 121.569 3.314 18431 448 1 . 1 1 102 102 LYS HA H 102 4.415 4.415 4.342 0.073 18431 449 1 . 1 1 102 102 LYS CA C 102 55.588 55.588 56.026 -0.438 18431 450 1 . 1 1 102 102 LYS CB C 102 32.596 32.596 32.680 -0.084 18431 451 1 . 1 1 102 102 LYS H H 102 8.578 8.578 8.362 0.216 18431 452 1 . 1 1 103 103 VAL N N 103 122.753 122.753 127.457 -4.704 18431 453 1 . 1 1 103 103 VAL HA H 103 4.237 4.237 4.415 -0.178 18431 454 1 . 1 1 103 103 VAL CA C 103 61.956 61.956 61.592 0.364 18431 455 1 . 1 1 103 103 VAL CB C 103 32.747 32.747 31.693 1.054 18431 456 1 . 1 1 103 103 VAL H H 103 8.348 8.348 8.556 -0.208 18431 stop_ save_