data_25104 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25104 _Entry.PDB_ID 2MS4 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 25104 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 VAL N N 2 111.261 111.261 115.497 -4.236 25104 2 1 1 . 1 1 2 2 VAL HA H 2 4.126 4.126 3.726 0.400 25104 3 1 1 . 1 1 2 2 VAL C C 2 176.404 176.404 173.938 2.466 25104 4 1 1 . 1 1 2 2 VAL CA C 2 61.417 61.417 63.214 -1.797 25104 5 1 1 . 1 1 2 2 VAL CB C 2 33.763 33.763 30.574 3.189 25104 6 1 1 . 1 1 2 2 VAL H H 2 8.447 8.447 8.334 0.113 25104 7 1 1 . 1 1 3 3 ASN N N 3 126.056 126.056 119.718 6.338 25104 8 1 1 . 1 1 3 3 ASN HA H 3 5.205 5.205 5.166 0.039 25104 9 1 1 . 1 1 3 3 ASN CA C 3 50.987 50.987 51.351 -0.364 25104 10 1 1 . 1 1 3 3 ASN CB C 3 38.031 38.031 39.276 -1.245 25104 11 1 1 . 1 1 3 3 ASN H H 3 8.666 8.666 7.965 0.701 25104 12 1 1 . 1 1 4 4 PRO HA H 4 4.818 4.818 4.519 0.299 25104 13 1 1 . 1 1 4 4 PRO C C 4 176.242 176.242 175.986 0.256 25104 14 1 1 . 1 1 4 4 PRO CA C 4 62.832 62.832 62.645 0.187 25104 15 1 1 . 1 1 4 4 PRO CB C 4 33.162 33.162 32.742 0.420 25104 16 1 1 . 1 1 5 5 THR N N 5 115.265 115.265 120.224 -4.959 25104 17 1 1 . 1 1 5 5 THR HA H 5 5.759 5.759 5.207 0.552 25104 18 1 1 . 1 1 5 5 THR C C 5 176.483 176.483 174.486 1.997 25104 19 1 1 . 1 1 5 5 THR CA C 5 60.867 60.867 62.217 -1.350 25104 20 1 1 . 1 1 5 5 THR CB C 5 71.050 71.050 69.871 1.179 25104 21 1 1 . 1 1 5 5 THR H H 5 8.787 8.787 7.959 0.828 25104 22 1 1 . 1 1 6 6 VAL N N 6 120.640 120.640 122.077 -1.437 25104 23 1 1 . 1 1 6 6 VAL HA H 6 5.379 5.379 4.510 0.869 25104 24 1 1 . 1 1 6 6 VAL C C 6 174.710 174.710 173.819 0.891 25104 25 1 1 . 1 1 6 6 VAL CA C 6 58.881 58.881 60.915 -2.034 25104 26 1 1 . 1 1 6 6 VAL CB C 6 36.180 36.180 33.166 3.014 25104 27 1 1 . 1 1 6 6 VAL H H 6 8.805 8.805 8.556 0.249 25104 28 1 1 . 1 1 7 7 PHE N N 7 119.359 119.359 127.772 -8.413 25104 29 1 1 . 1 1 7 7 PHE HA H 7 5.948 5.948 4.945 1.003 25104 30 1 1 . 1 1 7 7 PHE C C 7 173.634 173.634 173.316 0.318 25104 31 1 1 . 1 1 7 7 PHE CA C 7 55.925 55.925 56.019 -0.094 25104 32 1 1 . 1 1 7 7 PHE CB C 7 43.166 43.166 41.993 1.173 25104 33 1 1 . 1 1 7 7 PHE H H 7 8.995 8.995 8.431 0.564 25104 34 1 1 . 1 1 8 8 PHE N N 8 117.097 117.097 123.484 -6.387 25104 35 1 1 . 1 1 8 8 PHE HA H 8 5.367 5.367 5.013 0.354 25104 36 1 1 . 1 1 8 8 PHE C C 8 176.000 176.000 174.051 1.949 25104 37 1 1 . 1 1 8 8 PHE CA C 8 53.460 53.460 55.658 -2.199 25104 38 1 1 . 1 1 8 8 PHE CB C 8 42.791 42.791 43.470 -0.679 25104 39 1 1 . 1 1 8 8 PHE H H 8 9.571 9.571 8.216 1.355 25104 40 1 1 . 1 1 9 9 ASP N N 9 124.287 124.287 122.224 2.063 25104 41 1 1 . 1 1 9 9 ASP HA H 9 5.585 5.585 5.035 0.550 25104 42 1 1 . 1 1 9 9 ASP C C 9 176.286 176.286 174.806 1.480 25104 43 1 1 . 1 1 9 9 ASP CA C 9 54.831 54.831 53.908 0.923 25104 44 1 1 . 1 1 9 9 ASP CB C 9 41.366 41.366 43.056 -1.690 25104 45 1 1 . 1 1 9 9 ASP H H 9 9.301 9.301 8.715 0.586 25104 46 1 1 . 1 1 10 10 ILE N N 10 124.286 124.286 123.861 0.425 25104 47 1 1 . 1 1 10 10 ILE HA H 10 5.213 5.213 4.213 1.000 25104 48 1 1 . 1 1 10 10 ILE C C 10 177.031 177.031 174.323 2.708 25104 49 1 1 . 1 1 10 10 ILE CA C 10 58.233 58.233 59.204 -0.971 25104 50 1 1 . 1 1 10 10 ILE CB C 10 37.769 37.769 37.163 0.606 25104 51 1 1 . 1 1 10 10 ILE H H 10 9.059 9.059 8.276 0.783 25104 52 1 1 . 1 1 11 11 ALA N N 11 132.503 132.503 130.890 1.613 25104 53 1 1 . 1 1 11 11 ALA HA H 11 5.216 5.216 5.131 0.085 25104 54 1 1 . 1 1 11 11 ALA C C 11 175.928 175.928 175.321 0.607 25104 55 1 1 . 1 1 11 11 ALA CA C 11 50.948 50.948 50.329 0.619 25104 56 1 1 . 1 1 11 11 ALA CB C 11 22.804 22.804 22.148 0.656 25104 57 1 1 . 1 1 11 11 ALA H H 11 9.642 9.642 8.782 0.860 25104 58 1 1 . 1 1 12 12 VAL N N 12 118.551 118.551 124.256 -5.705 25104 59 1 1 . 1 1 12 12 VAL HA H 12 4.578 4.578 4.022 0.556 25104 60 1 1 . 1 1 12 12 VAL C C 12 177.347 177.347 175.802 1.545 25104 61 1 1 . 1 1 12 12 VAL CA C 12 60.457 60.457 62.054 -1.597 25104 62 1 1 . 1 1 12 12 VAL CB C 12 33.301 33.301 32.287 1.014 25104 63 1 1 . 1 1 12 12 VAL H H 12 8.984 8.984 8.393 0.591 25104 64 1 1 . 1 1 13 13 ASP N N 13 131.009 131.009 127.955 3.054 25104 65 1 1 . 1 1 13 13 ASP HA H 13 4.359 4.359 4.212 0.147 25104 66 1 1 . 1 1 13 13 ASP C C 13 176.795 176.795 176.456 0.339 25104 67 1 1 . 1 1 13 13 ASP CA C 13 55.880 55.880 55.382 0.498 25104 68 1 1 . 1 1 13 13 ASP CB C 13 39.999 39.999 39.015 0.984 25104 69 1 1 . 1 1 13 13 ASP H H 13 9.868 9.868 9.109 0.759 25104 70 1 1 . 1 1 14 14 GLY N N 14 101.848 101.848 103.767 -1.919 25104 71 1 1 . 1 1 14 14 GLY C C 14 174.700 174.700 174.525 0.175 25104 72 1 1 . 1 1 14 14 GLY CA C 14 45.303 45.303 45.183 0.120 25104 73 1 1 . 1 1 14 14 GLY H H 14 8.578 8.578 8.276 0.302 25104 74 1 1 . 1 1 15 15 GLU N N 15 123.331 123.331 122.725 0.606 25104 75 1 1 . 1 1 15 15 GLU HA H 15 4.891 4.891 4.644 0.247 25104 76 1 1 . 1 1 15 15 GLU CA C 15 52.932 52.932 53.260 -0.328 25104 77 1 1 . 1 1 15 15 GLU CB C 15 30.468 30.468 29.694 0.774 25104 78 1 1 . 1 1 15 15 GLU H H 15 8.086 8.086 7.676 0.410 25104 79 1 1 . 1 1 16 16 PRO HA H 16 4.240 4.240 4.467 -0.227 25104 80 1 1 . 1 1 16 16 PRO C C 16 177.072 177.072 176.323 0.749 25104 81 1 1 . 1 1 16 16 PRO CA C 16 64.838 64.838 63.325 1.513 25104 82 1 1 . 1 1 16 16 PRO CB C 16 32.368 32.368 31.744 0.624 25104 83 1 1 . 1 1 17 17 LEU N N 17 126.051 126.051 125.769 0.282 25104 84 1 1 . 1 1 17 17 LEU HA H 17 4.739 4.739 4.409 0.330 25104 85 1 1 . 1 1 17 17 LEU C C 17 176.975 176.975 176.512 0.463 25104 86 1 1 . 1 1 17 17 LEU CA C 17 55.511 55.511 55.413 0.098 25104 87 1 1 . 1 1 17 17 LEU CB C 17 44.257 44.257 43.137 1.120 25104 88 1 1 . 1 1 17 17 LEU H H 17 9.237 9.237 8.448 0.789 25104 89 1 1 . 1 1 18 18 GLY N N 18 102.496 102.496 105.441 -2.945 25104 90 1 1 . 1 1 18 18 GLY C C 18 170.997 170.997 171.471 -0.474 25104 91 1 1 . 1 1 18 18 GLY CA C 18 44.713 44.713 44.986 -0.273 25104 92 1 1 . 1 1 18 18 GLY H H 18 7.303 7.303 7.683 -0.380 25104 93 1 1 . 1 1 19 19 ARG N N 19 121.330 121.330 119.065 2.265 25104 94 1 1 . 1 1 19 19 ARG HA H 19 5.665 5.665 4.604 1.061 25104 95 1 1 . 1 1 19 19 ARG C C 19 176.011 176.011 174.207 1.804 25104 96 1 1 . 1 1 19 19 ARG CA C 19 55.106 55.106 55.340 -0.234 25104 97 1 1 . 1 1 19 19 ARG CB C 19 33.587 33.587 33.374 0.213 25104 98 1 1 . 1 1 19 19 ARG H H 19 8.348 8.348 8.318 0.030 25104 99 1 1 . 1 1 20 20 VAL N N 20 126.859 126.859 123.164 3.695 25104 100 1 1 . 1 1 20 20 VAL HA H 20 4.650 4.650 4.742 -0.092 25104 101 1 1 . 1 1 20 20 VAL C C 20 174.836 174.836 174.563 0.273 25104 102 1 1 . 1 1 20 20 VAL CA C 20 59.966 59.966 60.750 -0.784 25104 103 1 1 . 1 1 20 20 VAL CB C 20 35.034 35.034 35.249 -0.215 25104 104 1 1 . 1 1 20 20 VAL H H 20 9.400 9.400 8.172 1.228 25104 105 1 1 . 1 1 21 21 SER N N 21 120.319 120.319 120.385 -0.066 25104 106 1 1 . 1 1 21 21 SER HA H 21 5.565 5.565 5.422 0.143 25104 107 1 1 . 1 1 21 21 SER C C 21 174.694 174.694 173.918 0.776 25104 108 1 1 . 1 1 21 21 SER CA C 21 55.462 55.462 56.199 -0.737 25104 109 1 1 . 1 1 21 21 SER CB C 21 66.546 66.546 65.645 0.901 25104 110 1 1 . 1 1 21 21 SER H H 21 8.791 8.791 8.357 0.434 25104 111 1 1 . 1 1 22 22 PHE N N 22 119.239 119.239 120.772 -1.533 25104 112 1 1 . 1 1 22 22 PHE HA H 22 5.279 5.279 5.153 0.126 25104 113 1 1 . 1 1 22 22 PHE C C 22 176.190 176.190 174.972 1.218 25104 114 1 1 . 1 1 22 22 PHE CA C 22 55.882 55.882 56.737 -0.855 25104 115 1 1 . 1 1 22 22 PHE CB C 22 42.673 42.673 42.257 0.416 25104 116 1 1 . 1 1 22 22 PHE H H 22 9.553 9.553 9.170 0.383 25104 117 1 1 . 1 1 23 23 GLU N N 23 123.308 123.308 123.295 0.013 25104 118 1 1 . 1 1 23 23 GLU HA H 23 4.797 4.797 4.425 0.372 25104 119 1 1 . 1 1 23 23 GLU C C 23 175.673 175.673 175.329 0.344 25104 120 1 1 . 1 1 23 23 GLU CA C 23 55.119 55.119 54.943 0.176 25104 121 1 1 . 1 1 23 23 GLU CB C 23 32.058 32.058 29.928 2.130 25104 122 1 1 . 1 1 23 23 GLU H H 23 8.791 8.791 8.800 -0.009 25104 123 1 1 . 1 1 24 24 LEU N N 24 122.539 122.539 126.927 -4.388 25104 124 1 1 . 1 1 24 24 LEU HA H 24 4.749 4.749 4.532 0.217 25104 125 1 1 . 1 1 24 24 LEU C C 24 178.229 178.229 177.057 1.172 25104 126 1 1 . 1 1 24 24 LEU CA C 24 51.899 51.899 54.191 -2.292 25104 127 1 1 . 1 1 24 24 LEU CB C 24 43.248 43.248 42.332 0.916 25104 128 1 1 . 1 1 24 24 LEU H H 24 8.198 8.198 8.634 -0.436 25104 129 1 1 . 1 1 25 25 PHE N N 25 124.715 124.715 123.427 1.288 25104 130 1 1 . 1 1 25 25 PHE HA H 25 5.171 5.171 4.869 0.302 25104 131 1 1 . 1 1 25 25 PHE C C 25 177.485 177.485 175.628 1.857 25104 132 1 1 . 1 1 25 25 PHE CA C 25 54.699 54.699 57.126 -2.427 25104 133 1 1 . 1 1 25 25 PHE CB C 25 36.100 36.100 36.726 -0.626 25104 134 1 1 . 1 1 25 25 PHE H H 25 8.864 8.864 9.192 -0.328 25104 135 1 1 . 1 1 26 26 ALA N N 26 128.663 128.663 125.813 2.850 25104 136 1 1 . 1 1 26 26 ALA HA H 26 3.838 3.838 4.166 -0.328 25104 137 1 1 . 1 1 26 26 ALA C C 26 177.291 177.291 178.038 -0.747 25104 138 1 1 . 1 1 26 26 ALA CA C 26 54.316 54.316 54.325 -0.009 25104 139 1 1 . 1 1 26 26 ALA CB C 26 19.002 19.002 18.538 0.464 25104 140 1 1 . 1 1 26 26 ALA H H 26 8.480 8.480 7.979 0.501 25104 141 1 1 . 1 1 27 27 ASP N N 27 114.191 114.191 116.382 -2.191 25104 142 1 1 . 1 1 27 27 ASP HA H 27 4.197 4.197 4.489 -0.292 25104 143 1 1 . 1 1 27 27 ASP C C 27 177.976 177.976 177.030 0.946 25104 144 1 1 . 1 1 27 27 ASP CA C 27 55.410 55.410 55.561 -0.151 25104 145 1 1 . 1 1 27 27 ASP CB C 27 38.821 38.821 40.427 -1.606 25104 146 1 1 . 1 1 27 27 ASP H H 27 9.145 9.145 8.646 0.499 25104 147 1 1 . 1 1 28 28 LYS N N 28 118.107 118.107 118.677 -0.570 25104 148 1 1 . 1 1 28 28 LYS HA H 28 4.599 4.599 4.429 0.170 25104 149 1 1 . 1 1 28 28 LYS C C 28 177.840 177.840 177.046 0.794 25104 150 1 1 . 1 1 28 28 LYS CA C 28 56.262 56.262 57.370 -1.108 25104 151 1 1 . 1 1 28 28 LYS CB C 28 36.006 36.006 35.237 0.769 25104 152 1 1 . 1 1 28 28 LYS H H 28 7.569 7.569 7.688 -0.119 25104 153 1 1 . 1 1 29 29 VAL N N 29 114.551 114.551 114.764 -0.213 25104 154 1 1 . 1 1 29 29 VAL HA H 29 4.487 4.487 4.978 -0.491 25104 155 1 1 . 1 1 29 29 VAL CA C 29 58.309 58.309 58.731 -0.422 25104 156 1 1 . 1 1 29 29 VAL CB C 29 32.078 32.078 32.451 -0.373 25104 157 1 1 . 1 1 29 29 VAL H H 29 8.364 8.364 8.190 0.174 25104 158 1 1 . 1 1 30 30 PRO HA H 30 4.450 4.450 4.274 0.176 25104 159 1 1 . 1 1 30 30 PRO C C 30 181.892 181.892 178.612 3.280 25104 160 1 1 . 1 1 30 30 PRO CA C 30 66.227 66.227 65.810 0.417 25104 161 1 1 . 1 1 30 30 PRO CB C 30 31.547 31.547 32.182 -0.635 25104 162 1 1 . 1 1 31 31 LYS N N 31 123.785 123.785 120.171 3.614 25104 163 1 1 . 1 1 31 31 LYS HA H 31 4.105 4.105 4.064 0.041 25104 164 1 1 . 1 1 31 31 LYS C C 31 182.749 182.749 178.505 4.244 25104 165 1 1 . 1 1 31 31 LYS CA C 31 61.057 61.057 59.991 1.066 25104 166 1 1 . 1 1 31 31 LYS CB C 31 32.468 32.468 31.862 0.606 25104 167 1 1 . 1 1 31 31 LYS H H 31 10.684 10.684 8.618 2.066 25104 168 1 1 . 1 1 32 32 THR N N 32 124.002 124.002 113.108 10.894 25104 169 1 1 . 1 1 32 32 THR HA H 32 4.034 4.034 4.224 -0.190 25104 170 1 1 . 1 1 32 32 THR C C 32 178.673 178.673 176.216 2.457 25104 171 1 1 . 1 1 32 32 THR CA C 32 67.526 67.526 66.606 0.921 25104 172 1 1 . 1 1 32 32 THR CB C 32 68.705 68.705 68.245 0.460 25104 173 1 1 . 1 1 32 32 THR H H 32 10.320 10.320 8.241 2.079 25104 174 1 1 . 1 1 33 33 ALA N N 33 125.616 125.616 124.206 1.410 25104 175 1 1 . 1 1 33 33 ALA HA H 33 4.092 4.092 4.176 -0.084 25104 176 1 1 . 1 1 33 33 ALA C C 33 179.174 179.174 178.861 0.313 25104 177 1 1 . 1 1 33 33 ALA CA C 33 55.972 55.972 55.096 0.876 25104 178 1 1 . 1 1 33 33 ALA CB C 33 18.414 18.414 18.321 0.093 25104 179 1 1 . 1 1 33 33 ALA H H 33 9.311 9.311 7.849 1.462 25104 180 1 1 . 1 1 34 34 GLU N N 34 117.376 117.376 119.044 -1.668 25104 181 1 1 . 1 1 34 34 GLU HA H 34 4.556 4.556 3.900 0.656 25104 182 1 1 . 1 1 34 34 GLU C C 34 178.418 178.418 178.449 -0.031 25104 183 1 1 . 1 1 34 34 GLU CA C 34 58.238 58.238 59.280 -1.042 25104 184 1 1 . 1 1 34 34 GLU CB C 34 28.181 28.181 29.625 -1.444 25104 185 1 1 . 1 1 34 34 GLU H H 34 8.069 8.069 8.066 0.003 25104 186 1 1 . 1 1 35 35 ASN N N 35 115.722 115.722 118.913 -3.191 25104 187 1 1 . 1 1 35 35 ASN HA H 35 4.108 4.108 4.347 -0.239 25104 188 1 1 . 1 1 35 35 ASN C C 35 175.568 175.568 177.160 -1.592 25104 189 1 1 . 1 1 35 35 ASN CA C 35 56.768 56.768 56.297 0.471 25104 190 1 1 . 1 1 35 35 ASN CB C 35 39.644 39.644 38.061 1.583 25104 191 1 1 . 1 1 35 35 ASN H H 35 7.193 7.193 7.956 -0.763 25104 192 1 1 . 1 1 36 36 PHE N N 36 117.929 117.929 119.667 -1.738 25104 193 1 1 . 1 1 36 36 PHE HA H 36 4.158 4.158 4.086 0.072 25104 194 1 1 . 1 1 36 36 PHE C C 36 179.707 179.707 177.448 2.259 25104 195 1 1 . 1 1 36 36 PHE CA C 36 61.589 61.589 60.559 1.030 25104 196 1 1 . 1 1 36 36 PHE CB C 36 39.948 39.948 38.824 1.124 25104 197 1 1 . 1 1 36 36 PHE H H 36 7.065 7.065 7.350 -0.285 25104 198 1 1 . 1 1 37 37 ARG N N 37 121.048 121.048 120.766 0.282 25104 199 1 1 . 1 1 37 37 ARG HA H 37 3.685 3.685 3.935 -0.250 25104 200 1 1 . 1 1 37 37 ARG C C 37 179.000 179.000 178.112 0.888 25104 201 1 1 . 1 1 37 37 ARG CA C 37 60.515 60.515 59.557 0.958 25104 202 1 1 . 1 1 37 37 ARG CB C 37 29.880 29.880 30.257 -0.377 25104 203 1 1 . 1 1 37 37 ARG H H 37 8.975 8.975 7.947 1.028 25104 204 1 1 . 1 1 38 38 ALA N N 38 119.232 119.232 121.341 -2.109 25104 205 1 1 . 1 1 38 38 ALA HA H 38 4.126 4.126 4.483 -0.357 25104 206 1 1 . 1 1 38 38 ALA C C 38 183.365 183.365 179.460 3.905 25104 207 1 1 . 1 1 38 38 ALA CA C 38 54.477 54.477 54.155 0.322 25104 208 1 1 . 1 1 38 38 ALA CB C 38 18.405 18.405 18.647 -0.242 25104 209 1 1 . 1 1 38 38 ALA H H 38 8.741 8.741 8.011 0.730 25104 210 1 1 . 1 1 39 39 LEU N N 39 120.723 120.723 118.826 1.897 25104 211 1 1 . 1 1 39 39 LEU HA H 39 3.800 3.800 4.243 -0.443 25104 212 1 1 . 1 1 39 39 LEU C C 39 180.481 180.481 178.826 1.655 25104 213 1 1 . 1 1 39 39 LEU CA C 39 57.268 57.268 57.814 -0.546 25104 214 1 1 . 1 1 39 39 LEU CB C 39 41.218 41.218 41.633 -0.415 25104 215 1 1 . 1 1 39 39 LEU H H 39 8.212 8.212 7.719 0.493 25104 216 1 1 . 1 1 40 40 SER N N 40 119.210 119.210 114.371 4.839 25104 217 1 1 . 1 1 40 40 SER HA H 40 4.341 4.341 4.341 0.000 25104 218 1 1 . 1 1 40 40 SER C C 40 175.380 175.380 176.656 -1.276 25104 219 1 1 . 1 1 40 40 SER CA C 40 62.924 62.924 61.497 1.427 25104 220 1 1 . 1 1 40 40 SER CB C 40 62.992 62.992 63.299 -0.307 25104 221 1 1 . 1 1 40 40 SER H H 40 7.938 7.938 8.136 -0.198 25104 222 1 1 . 1 1 41 41 THR N N 41 108.556 108.556 112.731 -4.175 25104 223 1 1 . 1 1 41 41 THR HA H 41 4.508 4.508 4.257 0.251 25104 224 1 1 . 1 1 41 41 THR C C 41 179.088 179.088 176.123 2.965 25104 225 1 1 . 1 1 41 41 THR CA C 41 62.492 62.492 63.551 -1.060 25104 226 1 1 . 1 1 41 41 THR CB C 41 69.663 69.663 69.073 0.590 25104 227 1 1 . 1 1 41 41 THR H H 41 8.017 8.017 7.762 0.255 25104 228 1 1 . 1 1 42 42 GLY N N 42 108.433 108.433 110.267 -1.834 25104 229 1 1 . 1 1 42 42 GLY C C 42 178.676 178.676 175.893 2.783 25104 230 1 1 . 1 1 42 42 GLY CA C 42 45.840 45.840 46.021 -0.181 25104 231 1 1 . 1 1 42 42 GLY H H 42 7.621 7.621 7.723 -0.102 25104 232 1 1 . 1 1 43 43 GLU N N 43 118.777 118.777 119.528 -0.751 25104 233 1 1 . 1 1 43 43 GLU HA H 43 4.171 4.171 4.130 0.041 25104 234 1 1 . 1 1 43 43 GLU C C 43 177.458 177.458 177.379 0.079 25104 235 1 1 . 1 1 43 43 GLU CA C 43 58.580 58.580 57.410 1.170 25104 236 1 1 . 1 1 43 43 GLU H H 43 8.049 8.049 8.005 0.044 25104 237 1 1 . 1 1 44 44 LYS N N 44 118.526 118.526 116.816 1.710 25104 238 1 1 . 1 1 44 44 LYS HA H 44 4.342 4.342 4.284 0.058 25104 239 1 1 . 1 1 44 44 LYS C C 44 177.590 177.590 176.456 1.134 25104 240 1 1 . 1 1 44 44 LYS CA C 44 54.405 54.405 54.611 -0.206 25104 241 1 1 . 1 1 44 44 LYS CB C 44 30.488 30.488 31.993 -1.505 25104 242 1 1 . 1 1 44 44 LYS H H 44 9.123 9.123 7.442 1.681 25104 243 1 1 . 1 1 45 45 GLY N N 45 105.553 105.553 107.619 -2.066 25104 244 1 1 . 1 1 45 45 GLY C C 45 173.518 173.518 173.923 -0.405 25104 245 1 1 . 1 1 45 45 GLY CA C 45 44.612 44.612 45.369 -0.757 25104 246 1 1 . 1 1 45 45 GLY H H 45 7.970 7.970 7.606 0.364 25104 247 1 1 . 1 1 46 46 PHE N N 46 113.753 113.753 118.728 -4.975 25104 248 1 1 . 1 1 46 46 PHE HA H 46 4.678 4.678 4.552 0.126 25104 249 1 1 . 1 1 46 46 PHE C C 46 173.684 173.684 175.994 -2.310 25104 250 1 1 . 1 1 46 46 PHE CA C 46 54.077 54.077 56.856 -2.779 25104 251 1 1 . 1 1 46 46 PHE CB C 46 39.658 39.658 40.682 -1.024 25104 252 1 1 . 1 1 46 46 PHE H H 46 6.469 6.469 7.177 -0.708 25104 253 1 1 . 1 1 47 47 GLY N N 47 104.722 104.722 108.892 -4.170 25104 254 1 1 . 1 1 47 47 GLY C C 47 172.446 172.446 175.118 -2.672 25104 255 1 1 . 1 1 47 47 GLY CA C 47 45.601 45.601 45.654 -0.053 25104 256 1 1 . 1 1 47 47 GLY H H 47 7.756 7.756 8.237 -0.481 25104 257 1 1 . 1 1 48 48 TYR N N 48 113.796 113.796 120.560 -6.764 25104 258 1 1 . 1 1 48 48 TYR HA H 48 4.270 4.270 4.202 0.068 25104 259 1 1 . 1 1 48 48 TYR C C 48 178.924 178.924 175.156 3.768 25104 260 1 1 . 1 1 48 48 TYR CA C 48 57.365 57.365 59.281 -1.916 25104 261 1 1 . 1 1 48 48 TYR CB C 48 38.832 38.832 37.090 1.742 25104 262 1 1 . 1 1 48 48 TYR H H 48 6.948 6.948 8.174 -1.226 25104 263 1 1 . 1 1 49 49 LYS N N 49 124.858 124.858 124.158 0.700 25104 264 1 1 . 1 1 49 49 LYS HA H 49 3.655 3.655 4.477 -0.822 25104 265 1 1 . 1 1 49 49 LYS C C 49 178.388 178.388 177.018 1.370 25104 266 1 1 . 1 1 49 49 LYS CA C 49 61.018 61.018 55.196 5.822 25104 267 1 1 . 1 1 49 49 LYS CB C 49 31.484 31.484 34.613 -3.129 25104 268 1 1 . 1 1 49 49 LYS H H 49 8.493 8.493 7.850 0.643 25104 269 1 1 . 1 1 50 50 GLY N N 50 117.833 117.833 115.115 2.718 25104 270 1 1 . 1 1 50 50 GLY C C 50 175.259 175.259 174.594 0.665 25104 271 1 1 . 1 1 50 50 GLY CA C 50 45.495 45.495 45.637 -0.142 25104 272 1 1 . 1 1 50 50 GLY H H 50 9.509 9.509 8.428 1.081 25104 273 1 1 . 1 1 51 51 SER N N 51 116.413 116.413 116.555 -0.142 25104 274 1 1 . 1 1 51 51 SER HA H 51 4.516 4.516 4.479 0.037 25104 275 1 1 . 1 1 51 51 SER C C 51 172.808 172.808 175.410 -2.602 25104 276 1 1 . 1 1 51 51 SER CA C 51 59.043 59.043 58.546 0.497 25104 277 1 1 . 1 1 51 51 SER CB C 51 63.781 63.781 63.522 0.259 25104 278 1 1 . 1 1 51 51 SER H H 51 8.436 8.436 8.000 0.436 25104 279 1 1 . 1 1 52 52 CYS N N 52 115.156 115.156 127.000 -11.844 25104 280 1 1 . 1 1 52 52 CYS HA H 52 5.932 5.932 5.216 0.716 25104 281 1 1 . 1 1 52 52 CYS C C 52 177.437 177.437 174.779 2.658 25104 282 1 1 . 1 1 52 52 CYS CA C 52 55.998 55.998 56.536 -0.538 25104 283 1 1 . 1 1 52 52 CYS CB C 52 31.953 31.953 27.655 4.298 25104 284 1 1 . 1 1 52 52 CYS H H 52 9.875 9.875 8.736 1.139 25104 285 1 1 . 1 1 53 53 PHE N N 53 123.068 123.068 125.780 -2.712 25104 286 1 1 . 1 1 53 53 PHE HA H 53 4.899 4.899 4.331 0.568 25104 287 1 1 . 1 1 53 53 PHE C C 53 175.886 175.886 176.016 -0.130 25104 288 1 1 . 1 1 53 53 PHE CA C 53 58.389 58.389 58.200 0.189 25104 289 1 1 . 1 1 53 53 PHE CB C 53 39.535 39.535 36.481 3.054 25104 290 1 1 . 1 1 53 53 PHE H H 53 8.732 8.732 9.183 -0.451 25104 291 1 1 . 1 1 54 54 HIS N N 54 120.227 120.227 117.333 2.894 25104 292 1 1 . 1 1 54 54 HIS HA H 54 4.763 4.763 4.813 -0.050 25104 293 1 1 . 1 1 54 54 HIS C C 54 176.409 176.409 175.458 0.951 25104 294 1 1 . 1 1 54 54 HIS CA C 54 57.323 57.323 55.537 1.786 25104 295 1 1 . 1 1 54 54 HIS CB C 54 31.542 31.542 30.806 0.736 25104 296 1 1 . 1 1 54 54 HIS H H 54 7.696 7.696 7.594 0.102 25104 297 1 1 . 1 1 55 55 ARG N N 55 123.202 123.202 121.601 1.601 25104 298 1 1 . 1 1 55 55 ARG HA H 55 5.118 5.118 5.423 -0.305 25104 299 1 1 . 1 1 55 55 ARG C C 55 174.511 174.511 173.593 0.918 25104 300 1 1 . 1 1 55 55 ARG CA C 55 54.913 54.913 55.074 -0.161 25104 301 1 1 . 1 1 55 55 ARG CB C 55 33.805 33.805 31.976 1.829 25104 302 1 1 . 1 1 55 55 ARG H H 55 7.089 7.089 7.310 -0.221 25104 303 1 1 . 1 1 56 56 ILE N N 56 126.621 126.621 126.240 0.381 25104 304 1 1 . 1 1 56 56 ILE HA H 56 4.659 4.659 4.835 -0.176 25104 305 1 1 . 1 1 56 56 ILE C C 56 174.633 174.633 174.087 0.546 25104 306 1 1 . 1 1 56 56 ILE CA C 56 61.585 61.585 60.371 1.214 25104 307 1 1 . 1 1 56 56 ILE CB C 56 41.452 41.452 42.388 -0.936 25104 308 1 1 . 1 1 56 56 ILE H H 56 9.201 9.201 8.126 1.075 25104 309 1 1 . 1 1 57 57 ILE N N 57 127.965 127.965 125.131 2.834 25104 310 1 1 . 1 1 57 57 ILE HA H 57 5.248 5.248 5.173 0.075 25104 311 1 1 . 1 1 57 57 ILE CA C 57 57.685 57.685 57.544 0.141 25104 312 1 1 . 1 1 57 57 ILE CB C 57 40.236 40.236 41.366 -1.130 25104 313 1 1 . 1 1 57 57 ILE H H 57 8.753 8.753 8.933 -0.180 25104 314 1 1 . 1 1 58 58 PRO HA H 58 4.382 4.382 4.395 -0.013 25104 315 1 1 . 1 1 58 58 PRO C C 58 178.669 178.669 177.779 0.890 25104 316 1 1 . 1 1 58 58 PRO CA C 58 63.086 63.086 63.405 -0.319 25104 317 1 1 . 1 1 58 58 PRO CB C 58 31.996 31.996 31.778 0.218 25104 318 1 1 . 1 1 59 59 GLY N N 59 114.176 114.176 111.930 2.246 25104 319 1 1 . 1 1 59 59 GLY C C 59 173.281 173.281 173.577 -0.296 25104 320 1 1 . 1 1 59 59 GLY CA C 59 45.259 45.259 45.995 -0.736 25104 321 1 1 . 1 1 59 59 GLY H H 59 9.752 9.752 8.814 0.938 25104 322 1 1 . 1 1 60 60 PHE N N 60 119.241 119.241 118.384 0.857 25104 323 1 1 . 1 1 60 60 PHE HA H 60 5.153 5.153 4.987 0.166 25104 324 1 1 . 1 1 60 60 PHE C C 60 174.401 174.401 173.101 1.300 25104 325 1 1 . 1 1 60 60 PHE CA C 60 56.867 56.867 58.039 -1.172 25104 326 1 1 . 1 1 60 60 PHE CB C 60 39.954 39.954 41.380 -1.426 25104 327 1 1 . 1 1 60 60 PHE H H 60 8.196 8.196 7.568 0.628 25104 328 1 1 . 1 1 61 61 MET N N 61 111.262 111.262 118.171 -6.909 25104 329 1 1 . 1 1 61 61 MET HA H 61 5.369 5.369 4.947 0.422 25104 330 1 1 . 1 1 61 61 MET C C 61 175.163 175.163 173.091 2.072 25104 331 1 1 . 1 1 61 61 MET CA C 61 55.062 55.062 54.498 0.564 25104 332 1 1 . 1 1 61 61 MET CB C 61 35.010 35.010 36.059 -1.049 25104 333 1 1 . 1 1 61 61 MET H H 61 8.128 8.128 8.304 -0.176 25104 334 1 1 . 1 1 62 62 CYS N N 62 114.848 114.848 122.441 -7.593 25104 335 1 1 . 1 1 62 62 CYS HA H 62 4.941 4.941 4.957 -0.016 25104 336 1 1 . 1 1 62 62 CYS C C 62 174.075 174.075 173.396 0.679 25104 337 1 1 . 1 1 62 62 CYS CA C 62 57.485 57.485 56.226 1.259 25104 338 1 1 . 1 1 62 62 CYS CB C 62 30.392 30.392 28.834 1.558 25104 339 1 1 . 1 1 62 62 CYS H H 62 8.501 8.501 8.889 -0.388 25104 340 1 1 . 1 1 63 63 GLN N N 63 126.854 126.854 126.802 0.052 25104 341 1 1 . 1 1 63 63 GLN HA H 63 5.410 5.410 4.826 0.584 25104 342 1 1 . 1 1 63 63 GLN C C 63 175.024 175.024 174.457 0.567 25104 343 1 1 . 1 1 63 63 GLN CA C 63 54.691 54.691 54.197 0.494 25104 344 1 1 . 1 1 63 63 GLN CB C 63 30.529 30.529 31.971 -1.442 25104 345 1 1 . 1 1 63 63 GLN H H 63 9.671 9.671 8.647 1.024 25104 346 1 1 . 1 1 64 64 GLY N N 64 110.745 110.745 111.798 -1.053 25104 347 1 1 . 1 1 64 64 GLY C C 64 174.113 174.113 171.986 2.127 25104 348 1 1 . 1 1 64 64 GLY CA C 64 44.788 44.788 42.401 2.387 25104 349 1 1 . 1 1 64 64 GLY H H 64 7.401 7.401 7.545 -0.144 25104 350 1 1 . 1 1 65 65 GLY N N 65 105.815 105.815 105.702 0.113 25104 351 1 1 . 1 1 65 65 GLY C C 65 176.175 176.175 171.578 4.597 25104 352 1 1 . 1 1 65 65 GLY CA C 65 46.659 46.659 45.616 1.043 25104 353 1 1 . 1 1 65 65 GLY H H 65 9.265 9.265 7.347 1.918 25104 354 1 1 . 1 1 66 66 ASP N N 66 123.911 123.911 118.385 5.526 25104 355 1 1 . 1 1 66 66 ASP HA H 66 4.337 4.337 5.197 -0.860 25104 356 1 1 . 1 1 66 66 ASP C C 66 177.105 177.105 175.399 1.706 25104 357 1 1 . 1 1 66 66 ASP CA C 66 51.592 51.592 52.014 -0.422 25104 358 1 1 . 1 1 66 66 ASP CB C 66 38.926 38.926 44.575 -5.649 25104 359 1 1 . 1 1 66 66 ASP H H 66 9.950 9.950 8.565 1.385 25104 360 1 1 . 1 1 67 67 PHE N N 67 116.285 116.285 120.122 -3.837 25104 361 1 1 . 1 1 67 67 PHE HA H 67 4.655 4.655 4.580 0.075 25104 362 1 1 . 1 1 67 67 PHE C C 67 175.240 175.240 175.879 -0.639 25104 363 1 1 . 1 1 67 67 PHE CA C 67 55.683 55.683 58.560 -2.877 25104 364 1 1 . 1 1 67 67 PHE CB C 67 39.480 39.480 40.251 -0.771 25104 365 1 1 . 1 1 67 67 PHE H H 67 6.660 6.660 8.891 -2.231 25104 366 1 1 . 1 1 68 68 THR N N 68 109.280 109.280 118.593 -9.313 25104 367 1 1 . 1 1 68 68 THR HA H 68 4.692 4.692 4.065 0.627 25104 368 1 1 . 1 1 68 68 THR C C 68 176.514 176.514 174.307 2.207 25104 369 1 1 . 1 1 68 68 THR CA C 68 61.962 61.962 63.329 -1.367 25104 370 1 1 . 1 1 68 68 THR CB C 68 68.922 68.922 68.781 0.141 25104 371 1 1 . 1 1 68 68 THR H H 68 7.400 7.400 7.780 -0.380 25104 372 1 1 . 1 1 69 69 ARG N N 69 122.125 122.125 125.710 -3.585 25104 373 1 1 . 1 1 69 69 ARG HA H 69 4.421 4.421 3.782 0.639 25104 374 1 1 . 1 1 69 69 ARG CA C 69 55.265 55.265 56.700 -1.435 25104 375 1 1 . 1 1 69 69 ARG CB C 69 31.727 31.727 28.658 3.069 25104 376 1 1 . 1 1 69 69 ARG H H 69 8.719 8.719 9.032 -0.313 25104 377 1 1 . 1 1 70 70 HIS N N 70 111.574 111.574 119.233 -7.659 25104 378 1 1 . 1 1 70 70 HIS HA H 70 4.451 4.451 4.151 0.300 25104 379 1 1 . 1 1 70 70 HIS C C 70 175.306 175.306 175.127 0.179 25104 380 1 1 . 1 1 70 70 HIS CA C 70 57.193 57.193 58.849 -1.655 25104 381 1 1 . 1 1 70 70 HIS CB C 70 28.587 28.587 29.728 -1.141 25104 382 1 1 . 1 1 70 70 HIS H H 70 6.865 6.865 7.629 -0.764 25104 383 1 1 . 1 1 71 71 ASN N N 71 112.710 112.710 117.473 -4.763 25104 384 1 1 . 1 1 71 71 ASN HA H 71 4.673 4.673 4.367 0.306 25104 385 1 1 . 1 1 71 71 ASN C C 71 176.752 176.752 175.541 1.211 25104 386 1 1 . 1 1 71 71 ASN CA C 71 52.366 52.366 53.506 -1.140 25104 387 1 1 . 1 1 71 71 ASN CB C 71 39.036 39.036 38.002 1.034 25104 388 1 1 . 1 1 71 71 ASN H H 71 7.594 7.594 7.906 -0.312 25104 389 1 1 . 1 1 72 72 GLY N N 72 110.452 110.452 113.640 -3.188 25104 390 1 1 . 1 1 72 72 GLY C C 72 176.669 176.669 174.342 2.327 25104 391 1 1 . 1 1 72 72 GLY CA C 72 44.887 44.887 46.191 -1.304 25104 392 1 1 . 1 1 72 72 GLY H H 72 9.642 9.642 8.482 1.160 25104 393 1 1 . 1 1 73 73 THR N N 73 112.024 112.024 114.968 -2.944 25104 394 1 1 . 1 1 73 73 THR HA H 73 4.541 4.541 4.344 0.197 25104 395 1 1 . 1 1 73 73 THR C C 73 176.905 176.905 173.765 3.140 25104 396 1 1 . 1 1 73 73 THR CA C 73 62.235 62.235 62.414 -0.179 25104 397 1 1 . 1 1 73 73 THR CB C 73 70.677 70.677 71.256 -0.579 25104 398 1 1 . 1 1 73 73 THR H H 73 7.967 7.967 7.112 0.855 25104 399 1 1 . 1 1 74 74 GLY N N 74 113.872 113.872 111.593 2.279 25104 400 1 1 . 1 1 74 74 GLY C C 74 176.149 176.149 174.491 1.658 25104 401 1 1 . 1 1 74 74 GLY CA C 74 45.126 45.126 45.994 -0.868 25104 402 1 1 . 1 1 74 74 GLY H H 74 8.711 8.711 8.357 0.354 25104 403 1 1 . 1 1 75 75 GLY N N 75 109.032 109.032 105.279 3.753 25104 404 1 1 . 1 1 75 75 GLY C C 75 173.012 173.012 173.900 -0.888 25104 405 1 1 . 1 1 75 75 GLY CA C 75 43.371 43.371 44.829 -1.458 25104 406 1 1 . 1 1 75 75 GLY H H 75 8.117 8.117 7.963 0.154 25104 407 1 1 . 1 1 76 76 LYS N N 76 115.705 115.705 120.656 -4.951 25104 408 1 1 . 1 1 76 76 LYS HA H 76 4.623 4.623 5.200 -0.577 25104 409 1 1 . 1 1 76 76 LYS C C 76 173.512 173.512 175.834 -2.322 25104 410 1 1 . 1 1 76 76 LYS CA C 76 55.975 55.975 55.868 0.107 25104 411 1 1 . 1 1 76 76 LYS CB C 76 34.648 34.648 33.342 1.306 25104 412 1 1 . 1 1 76 76 LYS H H 76 7.034 7.034 7.733 -0.699 25104 413 1 1 . 1 1 77 77 SER N N 77 114.354 114.354 115.391 -1.037 25104 414 1 1 . 1 1 77 77 SER HA H 77 5.240 5.240 4.499 0.741 25104 415 1 1 . 1 1 77 77 SER C C 77 176.746 176.746 176.164 0.582 25104 416 1 1 . 1 1 77 77 SER CA C 77 57.077 57.077 56.946 0.131 25104 417 1 1 . 1 1 77 77 SER CB C 77 69.863 69.863 66.084 3.779 25104 418 1 1 . 1 1 77 77 SER H H 77 7.793 7.793 8.350 -0.557 25104 419 1 1 . 1 1 78 78 ILE N N 78 111.394 111.394 116.201 -4.807 25104 420 1 1 . 1 1 78 78 ILE HA H 78 4.208 4.208 4.255 -0.047 25104 421 1 1 . 1 1 78 78 ILE C C 78 176.973 176.973 175.323 1.650 25104 422 1 1 . 1 1 78 78 ILE CA C 78 63.675 63.675 63.089 0.586 25104 423 1 1 . 1 1 78 78 ILE CB C 78 37.434 37.434 37.847 -0.413 25104 424 1 1 . 1 1 78 78 ILE H H 78 8.584 8.584 8.643 -0.059 25104 425 1 1 . 1 1 79 79 TYR N N 79 120.757 120.757 118.291 2.466 25104 426 1 1 . 1 1 79 79 TYR HA H 79 4.718 4.718 4.420 0.298 25104 427 1 1 . 1 1 79 79 TYR C C 79 176.316 176.316 175.923 0.393 25104 428 1 1 . 1 1 79 79 TYR CA C 79 56.216 56.216 58.030 -1.814 25104 429 1 1 . 1 1 79 79 TYR CB C 79 38.891 38.891 37.993 0.898 25104 430 1 1 . 1 1 79 79 TYR H H 79 8.058 8.058 7.822 0.236 25104 431 1 1 . 1 1 80 80 GLY N N 80 106.521 106.521 107.524 -1.003 25104 432 1 1 . 1 1 80 80 GLY CA C 80 46.021 46.021 45.025 0.996 25104 433 1 1 . 1 1 80 80 GLY H H 80 7.152 7.152 7.438 -0.286 25104 434 1 1 . 1 1 81 81 GLU N N 81 122.638 122.638 124.954 -2.316 25104 435 1 1 . 1 1 81 81 GLU HA H 81 4.008 4.008 3.997 0.011 25104 436 1 1 . 1 1 81 81 GLU C C 81 176.729 176.729 175.839 0.890 25104 437 1 1 . 1 1 81 81 GLU CA C 81 60.602 60.602 59.131 1.471 25104 438 1 1 . 1 1 81 81 GLU CB C 81 29.927 29.927 30.016 -0.089 25104 439 1 1 . 1 1 81 81 GLU H H 81 8.884 8.884 8.659 0.225 25104 440 1 1 . 1 1 82 82 LYS N N 82 112.369 112.369 113.178 -0.809 25104 441 1 1 . 1 1 82 82 LYS HA H 82 5.577 5.577 4.921 0.656 25104 442 1 1 . 1 1 82 82 LYS C C 82 176.495 176.495 175.165 1.330 25104 443 1 1 . 1 1 82 82 LYS CA C 82 53.906 53.906 55.369 -1.463 25104 444 1 1 . 1 1 82 82 LYS CB C 82 36.614 36.614 35.641 0.973 25104 445 1 1 . 1 1 82 82 LYS H H 82 7.845 7.845 7.719 0.126 25104 446 1 1 . 1 1 83 83 PHE N N 83 116.638 116.638 116.300 0.338 25104 447 1 1 . 1 1 83 83 PHE HA H 83 5.000 5.000 5.006 -0.006 25104 448 1 1 . 1 1 83 83 PHE C C 83 174.501 174.501 172.843 1.658 25104 449 1 1 . 1 1 83 83 PHE CA C 83 56.032 56.032 56.112 -0.080 25104 450 1 1 . 1 1 83 83 PHE CB C 83 41.258 41.258 41.941 -0.683 25104 451 1 1 . 1 1 83 83 PHE H H 83 9.184 9.184 9.094 0.090 25104 452 1 1 . 1 1 84 84 GLU N N 84 119.642 119.642 118.328 1.314 25104 453 1 1 . 1 1 84 84 GLU HA H 84 3.862 3.862 4.325 -0.463 25104 454 1 1 . 1 1 84 84 GLU C C 84 177.248 177.248 175.163 2.085 25104 455 1 1 . 1 1 84 84 GLU CA C 84 56.452 56.452 54.399 2.053 25104 456 1 1 . 1 1 84 84 GLU CB C 84 29.329 29.329 31.402 -2.073 25104 457 1 1 . 1 1 84 84 GLU H H 84 9.294 9.294 8.288 1.006 25104 458 1 1 . 1 1 85 85 ASP N N 85 118.870 118.870 121.558 -2.688 25104 459 1 1 . 1 1 85 85 ASP HA H 85 4.285 4.285 4.574 -0.289 25104 460 1 1 . 1 1 85 85 ASP C C 85 177.100 177.100 176.885 0.215 25104 461 1 1 . 1 1 85 85 ASP CA C 85 54.486 54.486 54.757 -0.271 25104 462 1 1 . 1 1 85 85 ASP CB C 85 40.954 40.954 41.499 -0.546 25104 463 1 1 . 1 1 85 85 ASP H H 85 8.609 8.609 8.321 0.288 25104 464 1 1 . 1 1 86 86 GLU N N 86 131.636 131.636 124.610 7.026 25104 465 1 1 . 1 1 86 86 GLU HA H 86 3.851 3.851 4.091 -0.240 25104 466 1 1 . 1 1 86 86 GLU C C 86 177.266 177.266 175.635 1.631 25104 467 1 1 . 1 1 86 86 GLU CA C 86 60.354 60.354 58.686 1.668 25104 468 1 1 . 1 1 86 86 GLU CB C 86 31.877 31.877 30.625 1.252 25104 469 1 1 . 1 1 86 86 GLU H H 86 9.474 9.474 8.870 0.604 25104 470 1 1 . 1 1 87 87 ASN N N 87 106.916 106.916 112.684 -5.768 25104 471 1 1 . 1 1 87 87 ASN HA H 87 4.187 4.187 4.476 -0.289 25104 472 1 1 . 1 1 87 87 ASN C C 87 171.751 171.751 173.649 -1.898 25104 473 1 1 . 1 1 87 87 ASN CA C 87 52.828 52.828 52.016 0.812 25104 474 1 1 . 1 1 87 87 ASN CB C 87 39.490 39.490 38.685 0.805 25104 475 1 1 . 1 1 87 87 ASN H H 87 7.084 7.084 7.653 -0.569 25104 476 1 1 . 1 1 88 88 PHE N N 88 113.116 113.116 121.084 -7.968 25104 477 1 1 . 1 1 88 88 PHE HA H 88 5.964 5.964 4.853 1.111 25104 478 1 1 . 1 1 88 88 PHE C C 88 178.688 178.688 175.698 2.990 25104 479 1 1 . 1 1 88 88 PHE CA C 88 55.847 55.847 56.363 -0.516 25104 480 1 1 . 1 1 88 88 PHE CB C 88 38.876 38.876 37.234 1.642 25104 481 1 1 . 1 1 88 88 PHE H H 88 8.356 8.356 8.651 -0.295 25104 482 1 1 . 1 1 89 89 ILE N N 89 119.794 119.794 121.044 -1.250 25104 483 1 1 . 1 1 89 89 ILE HA H 89 3.726 3.726 3.970 -0.244 25104 484 1 1 . 1 1 89 89 ILE C C 89 178.596 178.596 176.080 2.516 25104 485 1 1 . 1 1 89 89 ILE CA C 89 64.996 64.996 63.294 1.702 25104 486 1 1 . 1 1 89 89 ILE CB C 89 39.000 39.000 38.363 0.637 25104 487 1 1 . 1 1 89 89 ILE H H 89 8.314 8.314 7.637 0.677 25104 488 1 1 . 1 1 90 90 LEU N N 90 117.361 117.361 121.395 -4.034 25104 489 1 1 . 1 1 90 90 LEU HA H 90 4.516 4.516 4.191 0.326 25104 490 1 1 . 1 1 90 90 LEU C C 90 177.345 177.345 176.028 1.317 25104 491 1 1 . 1 1 90 90 LEU CA C 90 54.196 54.196 54.182 0.014 25104 492 1 1 . 1 1 90 90 LEU CB C 90 42.100 42.100 40.723 1.377 25104 493 1 1 . 1 1 90 90 LEU H H 90 7.777 7.777 8.128 -0.351 25104 494 1 1 . 1 1 91 91 LYS N N 91 119.096 119.096 123.458 -4.362 25104 495 1 1 . 1 1 91 91 LYS HA H 91 4.635 4.635 4.470 0.165 25104 496 1 1 . 1 1 91 91 LYS C C 91 177.296 177.296 176.525 0.771 25104 497 1 1 . 1 1 91 91 LYS CA C 91 54.689 54.689 55.619 -0.930 25104 498 1 1 . 1 1 91 91 LYS CB C 91 34.841 34.841 33.412 1.429 25104 499 1 1 . 1 1 91 91 LYS H H 91 8.086 8.086 8.096 -0.010 25104 500 1 1 . 1 1 92 92 HIS N N 92 122.578 122.578 120.926 1.652 25104 501 1 1 . 1 1 92 92 HIS HA H 92 4.408 4.408 4.650 -0.242 25104 502 1 1 . 1 1 92 92 HIS C C 92 178.794 178.794 174.200 4.594 25104 503 1 1 . 1 1 92 92 HIS CA C 92 56.886 56.886 55.796 1.090 25104 504 1 1 . 1 1 92 92 HIS CB C 92 26.041 26.041 28.090 -2.049 25104 505 1 1 . 1 1 92 92 HIS H H 92 10.736 10.736 8.929 1.807 25104 506 1 1 . 1 1 93 93 THR N N 93 110.479 110.479 114.203 -3.724 25104 507 1 1 . 1 1 93 93 THR HA H 93 4.056 4.056 4.387 -0.331 25104 508 1 1 . 1 1 93 93 THR C C 93 176.456 176.456 173.456 3.000 25104 509 1 1 . 1 1 93 93 THR CA C 93 63.324 63.324 61.396 1.928 25104 510 1 1 . 1 1 93 93 THR CB C 93 69.416 69.416 68.736 0.680 25104 511 1 1 . 1 1 93 93 THR H H 93 7.315 7.315 7.476 -0.161 25104 512 1 1 . 1 1 94 94 GLY N N 94 107.272 107.272 108.615 -1.343 25104 513 1 1 . 1 1 94 94 GLY C C 94 178.117 178.117 171.696 6.421 25104 514 1 1 . 1 1 94 94 GLY H H 94 7.530 7.530 7.459 0.071 25104 515 1 1 . 1 1 95 95 PRO HA H 95 3.856 3.856 4.739 -0.883 25104 516 1 1 . 1 1 95 95 PRO CA C 95 62.687 62.687 62.116 0.571 25104 517 1 1 . 1 1 95 95 PRO CB C 95 32.137 32.137 33.184 -1.047 25104 518 1 1 . 1 1 96 96 GLY N N 96 110.210 110.210 109.761 0.449 25104 519 1 1 . 1 1 96 96 GLY C C 96 174.025 174.025 174.974 -0.949 25104 520 1 1 . 1 1 96 96 GLY CA C 96 45.068 45.068 45.491 -0.423 25104 521 1 1 . 1 1 96 96 GLY H H 96 9.305 9.305 8.572 0.733 25104 522 1 1 . 1 1 97 97 ILE N N 97 121.517 121.517 122.192 -0.675 25104 523 1 1 . 1 1 97 97 ILE HA H 97 4.173 4.173 3.900 0.273 25104 524 1 1 . 1 1 97 97 ILE C C 97 174.196 174.196 174.907 -0.711 25104 525 1 1 . 1 1 97 97 ILE CA C 97 59.398 59.398 60.860 -1.462 25104 526 1 1 . 1 1 97 97 ILE CB C 97 37.922 37.922 35.416 2.506 25104 527 1 1 . 1 1 97 97 ILE H H 97 6.826 6.826 7.630 -0.804 25104 528 1 1 . 1 1 98 98 LEU N N 98 128.948 128.948 131.168 -2.220 25104 529 1 1 . 1 1 98 98 LEU HA H 98 5.010 5.010 4.618 0.392 25104 530 1 1 . 1 1 98 98 LEU C C 98 175.316 175.316 174.428 0.888 25104 531 1 1 . 1 1 98 98 LEU CA C 98 53.350 53.350 53.664 -0.314 25104 532 1 1 . 1 1 98 98 LEU CB C 98 43.813 43.813 42.853 0.960 25104 533 1 1 . 1 1 98 98 LEU H H 98 7.907 7.907 8.056 -0.149 25104 534 1 1 . 1 1 99 99 SER N N 99 118.834 118.834 119.755 -0.921 25104 535 1 1 . 1 1 99 99 SER HA H 99 5.346 5.346 4.458 0.888 25104 536 1 1 . 1 1 99 99 SER C C 99 175.732 175.732 172.733 2.999 25104 537 1 1 . 1 1 99 99 SER CA C 99 55.011 55.011 57.068 -2.057 25104 538 1 1 . 1 1 99 99 SER CB C 99 65.370 65.370 64.952 0.418 25104 539 1 1 . 1 1 99 99 SER H H 99 8.307 8.307 8.349 -0.042 25104 540 1 1 . 1 1 100 100 MET N N 100 123.079 123.079 125.471 -2.392 25104 541 1 1 . 1 1 100 100 MET HA H 100 5.338 5.338 4.763 0.575 25104 542 1 1 . 1 1 100 100 MET C C 100 178.920 178.920 176.008 2.912 25104 543 1 1 . 1 1 100 100 MET CA C 100 53.853 53.853 56.348 -2.495 25104 544 1 1 . 1 1 100 100 MET H H 100 8.563 8.563 9.333 -0.770 25104 545 1 1 . 1 1 101 101 ALA N N 101 126.225 126.225 125.979 0.246 25104 546 1 1 . 1 1 101 101 ALA HA H 101 4.362 4.362 4.612 -0.250 25104 547 1 1 . 1 1 101 101 ALA C C 101 176.471 176.471 176.217 0.254 25104 548 1 1 . 1 1 101 101 ALA CA C 101 51.743 51.743 52.952 -1.209 25104 549 1 1 . 1 1 101 101 ALA CB C 101 19.619 19.619 20.145 -0.526 25104 550 1 1 . 1 1 101 101 ALA H H 101 8.114 8.114 8.223 -0.109 25104 551 1 1 . 1 1 102 102 ASN N N 102 113.398 113.398 116.417 -3.019 25104 552 1 1 . 1 1 102 102 ASN HA H 102 4.647 4.647 4.822 -0.175 25104 553 1 1 . 1 1 102 102 ASN C C 102 174.740 174.740 173.841 0.899 25104 554 1 1 . 1 1 102 102 ASN CA C 102 54.102 54.102 52.456 1.646 25104 555 1 1 . 1 1 102 102 ASN CB C 102 40.597 40.597 39.965 0.632 25104 556 1 1 . 1 1 102 102 ASN H H 102 8.062 8.062 7.859 0.203 25104 557 1 1 . 1 1 103 103 ALA N N 103 123.487 123.487 121.731 1.756 25104 558 1 1 . 1 1 103 103 ALA HA H 103 4.868 4.868 4.381 0.487 25104 559 1 1 . 1 1 103 103 ALA C C 103 177.823 177.823 176.322 1.501 25104 560 1 1 . 1 1 103 103 ALA CA C 103 50.380 50.380 52.337 -1.957 25104 561 1 1 . 1 1 103 103 ALA CB C 103 19.295 19.295 19.822 -0.527 25104 562 1 1 . 1 1 103 103 ALA H H 103 8.822 8.822 8.640 0.182 25104 563 1 1 . 1 1 104 104 GLY N N 104 109.271 109.271 106.844 2.427 25104 564 1 1 . 1 1 104 104 GLY CA C 104 43.559 43.559 44.975 -1.416 25104 565 1 1 . 1 1 104 104 GLY H H 104 8.181 8.181 7.648 0.533 25104 566 1 1 . 1 1 105 105 PRO HA H 105 4.385 4.385 4.508 -0.123 25104 567 1 1 . 1 1 105 105 PRO C C 105 177.209 177.209 176.927 0.282 25104 568 1 1 . 1 1 105 105 PRO CA C 105 63.976 63.976 63.417 0.559 25104 569 1 1 . 1 1 105 105 PRO CB C 105 32.136 32.136 31.965 0.172 25104 570 1 1 . 1 1 106 106 ASN N N 106 119.146 119.146 117.220 1.926 25104 571 1 1 . 1 1 106 106 ASN HA H 106 4.052 4.052 4.558 -0.506 25104 572 1 1 . 1 1 106 106 ASN C C 106 175.857 175.857 174.632 1.225 25104 573 1 1 . 1 1 106 106 ASN CA C 106 54.279 54.279 54.836 -0.556 25104 574 1 1 . 1 1 106 106 ASN CB C 106 37.248 37.248 38.105 -0.857 25104 575 1 1 . 1 1 106 106 ASN H H 106 8.912 8.912 8.952 -0.040 25104 576 1 1 . 1 1 107 107 THR N N 107 110.101 110.101 111.055 -0.954 25104 577 1 1 . 1 1 107 107 THR HA H 107 4.493 4.493 4.333 0.160 25104 578 1 1 . 1 1 107 107 THR C C 107 174.713 174.713 172.977 1.736 25104 579 1 1 . 1 1 107 107 THR CA C 107 60.294 60.294 61.586 -1.292 25104 580 1 1 . 1 1 107 107 THR CB C 107 69.030 69.030 69.413 -0.383 25104 581 1 1 . 1 1 107 107 THR H H 107 10.191 10.191 7.565 2.626 25104 582 1 1 . 1 1 108 108 ASN N N 108 120.592 120.592 119.829 0.763 25104 583 1 1 . 1 1 108 108 ASN HA H 108 4.210 4.210 4.323 -0.113 25104 584 1 1 . 1 1 108 108 ASN C C 108 175.078 175.078 175.167 -0.089 25104 585 1 1 . 1 1 108 108 ASN CA C 108 55.287 55.287 52.964 2.323 25104 586 1 1 . 1 1 108 108 ASN CB C 108 39.036 39.036 39.226 -0.190 25104 587 1 1 . 1 1 108 108 ASN H H 108 7.410 7.410 7.247 0.163 25104 588 1 1 . 1 1 109 109 GLY N N 109 110.835 110.835 109.825 1.010 25104 589 1 1 . 1 1 109 109 GLY C C 109 172.087 172.087 173.092 -1.005 25104 590 1 1 . 1 1 109 109 GLY CA C 109 45.940 45.940 45.508 0.432 25104 591 1 1 . 1 1 109 109 GLY H H 109 9.192 9.192 8.130 1.062 25104 592 1 1 . 1 1 110 110 SER N N 110 117.149 117.149 115.583 1.566 25104 593 1 1 . 1 1 110 110 SER HA H 110 4.751 4.751 5.081 -0.330 25104 594 1 1 . 1 1 110 110 SER C C 110 177.075 177.075 174.238 2.837 25104 595 1 1 . 1 1 110 110 SER CA C 110 57.526 57.526 56.642 0.883 25104 596 1 1 . 1 1 110 110 SER CB C 110 66.180 66.180 65.153 1.027 25104 597 1 1 . 1 1 110 110 SER H H 110 8.793 8.793 7.527 1.266 25104 598 1 1 . 1 1 111 111 GLN N N 111 124.594 124.594 121.430 3.164 25104 599 1 1 . 1 1 111 111 GLN HA H 111 4.225 4.225 3.959 0.266 25104 600 1 1 . 1 1 111 111 GLN C C 111 179.174 179.174 175.159 4.015 25104 601 1 1 . 1 1 111 111 GLN CA C 111 58.144 58.144 58.008 0.136 25104 602 1 1 . 1 1 111 111 GLN CB C 111 31.558 31.558 28.413 3.145 25104 603 1 1 . 1 1 111 111 GLN H H 111 8.438 8.438 8.301 0.137 25104 604 1 1 . 1 1 112 112 PHE N N 112 118.008 118.008 114.058 3.950 25104 605 1 1 . 1 1 112 112 PHE HA H 112 5.806 5.806 5.273 0.533 25104 606 1 1 . 1 1 112 112 PHE C C 112 172.840 172.840 173.425 -0.585 25104 607 1 1 . 1 1 112 112 PHE CA C 112 55.584 55.584 55.973 -0.389 25104 608 1 1 . 1 1 112 112 PHE CB C 112 43.323 43.323 42.571 0.752 25104 609 1 1 . 1 1 112 112 PHE H H 112 8.120 8.120 8.100 0.021 25104 610 1 1 . 1 1 113 113 PHE N N 113 116.406 116.406 114.696 1.710 25104 611 1 1 . 1 1 113 113 PHE HA H 113 5.739 5.739 5.049 0.690 25104 612 1 1 . 1 1 113 113 PHE C C 113 175.349 175.349 173.266 2.083 25104 613 1 1 . 1 1 113 113 PHE CA C 113 54.684 54.684 55.793 -1.109 25104 614 1 1 . 1 1 113 113 PHE CB C 113 42.825 42.825 42.559 0.266 25104 615 1 1 . 1 1 113 113 PHE H H 113 9.832 9.832 8.943 0.889 25104 616 1 1 . 1 1 114 114 ILE N N 114 118.683 118.683 120.809 -2.126 25104 617 1 1 . 1 1 114 114 ILE HA H 114 4.842 4.842 5.007 -0.165 25104 618 1 1 . 1 1 114 114 ILE C C 114 178.414 178.414 176.179 2.235 25104 619 1 1 . 1 1 114 114 ILE CA C 114 60.265 60.265 59.576 0.689 25104 620 1 1 . 1 1 114 114 ILE CB C 114 40.466 40.466 40.046 0.420 25104 621 1 1 . 1 1 114 114 ILE H H 114 9.156 9.156 8.645 0.511 25104 622 1 1 . 1 1 115 115 CYS N N 115 125.524 125.524 129.422 -3.898 25104 623 1 1 . 1 1 115 115 CYS HA H 115 4.808 4.808 4.388 0.420 25104 624 1 1 . 1 1 115 115 CYS C C 115 177.658 177.658 176.568 1.090 25104 625 1 1 . 1 1 115 115 CYS CA C 115 60.803 60.803 60.300 0.503 25104 626 1 1 . 1 1 115 115 CYS CB C 115 28.723 28.723 26.858 1.865 25104 627 1 1 . 1 1 115 115 CYS H H 115 9.616 9.616 8.862 0.754 25104 628 1 1 . 1 1 116 116 THR N N 116 115.801 115.801 118.515 -2.714 25104 629 1 1 . 1 1 116 116 THR HA H 116 4.380 4.380 4.133 0.247 25104 630 1 1 . 1 1 116 116 THR C C 116 178.496 178.496 174.783 3.713 25104 631 1 1 . 1 1 116 116 THR CA C 116 60.844 60.844 64.275 -3.431 25104 632 1 1 . 1 1 116 116 THR CB C 116 66.730 66.730 68.999 -2.269 25104 633 1 1 . 1 1 116 116 THR H H 116 8.990 8.990 8.473 0.517 25104 634 1 1 . 1 1 117 117 ALA N N 117 122.356 122.356 124.858 -2.502 25104 635 1 1 . 1 1 117 117 ALA HA H 117 4.420 4.420 4.572 -0.152 25104 636 1 1 . 1 1 117 117 ALA C C 117 176.114 176.114 175.860 0.254 25104 637 1 1 . 1 1 117 117 ALA CA C 117 50.668 50.668 50.436 0.232 25104 638 1 1 . 1 1 117 117 ALA CB C 117 22.795 22.795 21.079 1.716 25104 639 1 1 . 1 1 117 117 ALA H H 117 7.641 7.641 7.655 -0.014 25104 640 1 1 . 1 1 118 118 LYS N N 118 119.855 119.855 118.727 1.128 25104 641 1 1 . 1 1 118 118 LYS HA H 118 3.840 3.840 4.428 -0.588 25104 642 1 1 . 1 1 118 118 LYS C C 118 177.211 177.211 176.274 0.937 25104 643 1 1 . 1 1 118 118 LYS CA C 118 57.913 57.913 56.125 1.788 25104 644 1 1 . 1 1 118 118 LYS CB C 118 32.708 32.708 30.986 1.722 25104 645 1 1 . 1 1 118 118 LYS H H 118 8.693 8.693 8.508 0.185 25104 646 1 1 . 1 1 119 119 THR N N 119 119.004 119.004 116.165 2.839 25104 647 1 1 . 1 1 119 119 THR HA H 119 3.730 3.730 3.273 0.457 25104 648 1 1 . 1 1 119 119 THR C C 119 177.928 177.928 174.682 3.246 25104 649 1 1 . 1 1 119 119 THR CA C 119 57.301 57.301 59.919 -2.618 25104 650 1 1 . 1 1 119 119 THR CB C 119 68.717 68.717 67.847 0.870 25104 651 1 1 . 1 1 119 119 THR H H 119 7.373 7.373 8.137 -0.764 25104 652 1 1 . 1 1 120 120 GLU N N 120 124.713 124.713 123.902 0.811 25104 653 1 1 . 1 1 120 120 GLU HA H 120 4.162 4.162 4.343 -0.181 25104 654 1 1 . 1 1 120 120 GLU C C 120 178.190 178.190 177.522 0.668 25104 655 1 1 . 1 1 120 120 GLU CA C 120 59.334 59.334 57.706 1.628 25104 656 1 1 . 1 1 120 120 GLU CB C 120 29.322 29.322 29.538 -0.216 25104 657 1 1 . 1 1 120 120 GLU H H 120 9.139 9.139 7.631 1.508 25104 658 1 1 . 1 1 121 121 TRP N N 121 117.782 117.782 118.198 -0.416 25104 659 1 1 . 1 1 121 121 TRP HA H 121 4.716 4.716 4.543 0.173 25104 660 1 1 . 1 1 121 121 TRP C C 121 177.244 177.244 176.384 0.860 25104 661 1 1 . 1 1 121 121 TRP CA C 121 59.748 59.748 57.556 2.192 25104 662 1 1 . 1 1 121 121 TRP CB C 121 26.947 26.947 28.483 -1.536 25104 663 1 1 . 1 1 121 121 TRP H H 121 7.297 7.297 7.691 -0.394 25104 664 1 1 . 1 1 122 122 LEU N N 122 119.806 119.806 119.183 0.623 25104 665 1 1 . 1 1 122 122 LEU HA H 122 4.315 4.315 4.150 0.165 25104 666 1 1 . 1 1 122 122 LEU C C 122 173.304 173.304 176.221 -2.917 25104 667 1 1 . 1 1 122 122 LEU CA C 122 54.543 54.543 54.145 0.397 25104 668 1 1 . 1 1 122 122 LEU CB C 122 39.075 39.075 40.663 -1.587 25104 669 1 1 . 1 1 122 122 LEU H H 122 7.037 7.037 6.823 0.214 25104 670 1 1 . 1 1 123 123 ASP N N 123 122.205 122.205 119.858 2.347 25104 671 1 1 . 1 1 123 123 ASP HA H 123 5.222 5.222 4.540 0.682 25104 672 1 1 . 1 1 123 123 ASP C C 123 179.276 179.276 177.314 1.962 25104 673 1 1 . 1 1 123 123 ASP CA C 123 55.889 55.889 55.450 0.439 25104 674 1 1 . 1 1 123 123 ASP CB C 123 39.517 39.517 41.494 -1.977 25104 675 1 1 . 1 1 123 123 ASP H H 123 7.643 7.643 7.328 0.315 25104 676 1 1 . 1 1 124 124 GLY N N 124 111.205 111.205 107.984 3.221 25104 677 1 1 . 1 1 124 124 GLY C C 124 173.148 173.148 173.647 -0.499 25104 678 1 1 . 1 1 124 124 GLY CA C 124 45.114 45.114 45.711 -0.597 25104 679 1 1 . 1 1 124 124 GLY H H 124 9.550 9.550 8.648 0.902 25104 680 1 1 . 1 1 125 125 LYS N N 125 115.408 115.408 118.062 -2.654 25104 681 1 1 . 1 1 125 125 LYS HA H 125 4.173 4.173 4.277 -0.104 25104 682 1 1 . 1 1 125 125 LYS C C 125 176.351 176.351 174.243 2.108 25104 683 1 1 . 1 1 125 125 LYS CA C 125 56.341 56.341 53.864 2.477 25104 684 1 1 . 1 1 125 125 LYS CB C 125 35.504 35.504 35.209 0.295 25104 685 1 1 . 1 1 125 125 LYS H H 125 7.765 7.765 7.477 0.288 25104 686 1 1 . 1 1 126 126 HIS N N 126 119.526 119.526 119.695 -0.169 25104 687 1 1 . 1 1 126 126 HIS HA H 126 4.863 4.863 4.887 -0.024 25104 688 1 1 . 1 1 126 126 HIS C C 126 174.784 174.784 175.219 -0.435 25104 689 1 1 . 1 1 126 126 HIS CA C 126 54.923 54.923 55.957 -1.034 25104 690 1 1 . 1 1 126 126 HIS CB C 126 31.675 31.675 30.410 1.265 25104 691 1 1 . 1 1 126 126 HIS H H 126 7.600 7.600 8.358 -0.758 25104 692 1 1 . 1 1 127 127 VAL N N 127 125.009 125.009 126.233 -1.224 25104 693 1 1 . 1 1 127 127 VAL HA H 127 4.307 4.307 4.156 0.151 25104 694 1 1 . 1 1 127 127 VAL C C 127 176.442 176.442 175.490 0.952 25104 695 1 1 . 1 1 127 127 VAL CA C 127 63.893 63.893 61.849 2.044 25104 696 1 1 . 1 1 127 127 VAL CB C 127 33.553 33.553 33.531 0.022 25104 697 1 1 . 1 1 127 127 VAL H H 127 8.523 8.523 8.521 0.002 25104 698 1 1 . 1 1 128 128 VAL N N 128 133.065 133.065 125.781 7.284 25104 699 1 1 . 1 1 128 128 VAL HA H 128 4.176 4.176 3.582 0.594 25104 700 1 1 . 1 1 128 128 VAL C C 128 176.113 176.113 175.611 0.502 25104 701 1 1 . 1 1 128 128 VAL CA C 128 63.172 63.172 64.311 -1.139 25104 702 1 1 . 1 1 128 128 VAL CB C 128 31.612 31.612 31.667 -0.055 25104 703 1 1 . 1 1 128 128 VAL H H 128 9.474 9.474 7.804 1.670 25104 704 1 1 . 1 1 129 129 PHE N N 129 117.892 117.892 117.531 0.361 25104 705 1 1 . 1 1 129 129 PHE HA H 129 5.308 5.308 4.941 0.367 25104 706 1 1 . 1 1 129 129 PHE C C 129 173.725 173.725 174.374 -0.649 25104 707 1 1 . 1 1 129 129 PHE CA C 129 55.969 55.969 56.959 -0.990 25104 708 1 1 . 1 1 129 129 PHE CB C 129 42.581 42.581 41.503 1.078 25104 709 1 1 . 1 1 129 129 PHE H H 129 8.138 8.138 7.804 0.334 25104 710 1 1 . 1 1 130 130 GLY N N 130 110.747 110.747 106.108 4.639 25104 711 1 1 . 1 1 130 130 GLY C C 130 171.591 171.591 171.770 -0.179 25104 712 1 1 . 1 1 130 130 GLY CA C 130 46.505 46.505 44.384 2.121 25104 713 1 1 . 1 1 130 130 GLY H H 130 7.356 7.356 7.397 -0.041 25104 714 1 1 . 1 1 131 131 LYS N N 131 115.453 115.453 119.880 -4.427 25104 715 1 1 . 1 1 131 131 LYS HA H 131 5.246 5.246 5.118 0.128 25104 716 1 1 . 1 1 131 131 LYS C C 131 176.109 176.109 175.447 0.662 25104 717 1 1 . 1 1 131 131 LYS CA C 131 54.887 54.887 54.817 0.070 25104 718 1 1 . 1 1 131 131 LYS CB C 131 36.077 36.077 37.483 -1.407 25104 719 1 1 . 1 1 131 131 LYS H H 131 8.390 8.390 8.146 0.244 25104 720 1 1 . 1 1 132 132 VAL N N 132 124.311 124.311 126.691 -2.380 25104 721 1 1 . 1 1 132 132 VAL HA H 132 3.955 3.955 3.857 0.098 25104 722 1 1 . 1 1 132 132 VAL C C 132 176.489 176.489 176.469 0.020 25104 723 1 1 . 1 1 132 132 VAL CA C 132 64.284 64.284 64.117 0.167 25104 724 1 1 . 1 1 132 132 VAL CB C 132 32.709 32.709 31.020 1.689 25104 725 1 1 . 1 1 132 132 VAL H H 132 9.071 9.071 8.519 0.552 25104 726 1 1 . 1 1 133 133 LYS N N 133 131.670 131.670 127.005 4.665 25104 727 1 1 . 1 1 133 133 LYS HA H 133 4.483 4.483 4.325 0.158 25104 728 1 1 . 1 1 133 133 LYS C C 133 176.283 176.283 177.049 -0.766 25104 729 1 1 . 1 1 133 133 LYS CA C 133 56.978 56.978 56.792 0.186 25104 730 1 1 . 1 1 133 133 LYS CB C 133 34.028 34.028 33.536 0.492 25104 731 1 1 . 1 1 133 133 LYS H H 133 9.494 9.494 8.192 1.302 25104 732 1 1 . 1 1 134 134 GLU N N 134 118.417 118.417 119.381 -0.964 25104 733 1 1 . 1 1 134 134 GLU HA H 134 4.639 4.639 4.482 0.157 25104 734 1 1 . 1 1 134 134 GLU C C 134 175.925 175.925 175.567 0.358 25104 735 1 1 . 1 1 134 134 GLU CA C 134 55.235 55.235 55.942 -0.707 25104 736 1 1 . 1 1 134 134 GLU CB C 134 32.909 32.909 32.486 0.423 25104 737 1 1 . 1 1 134 134 GLU H H 134 7.571 7.571 7.509 0.062 25104 738 1 1 . 1 1 135 135 GLY N N 135 108.109 108.109 111.301 -3.192 25104 739 1 1 . 1 1 135 135 GLY C C 135 178.060 178.060 174.989 3.071 25104 740 1 1 . 1 1 135 135 GLY CA C 135 46.195 46.195 45.453 0.743 25104 741 1 1 . 1 1 135 135 GLY H H 135 8.695 8.695 9.010 -0.315 25104 742 1 1 . 1 1 136 136 MET N N 136 122.582 122.582 120.294 2.288 25104 743 1 1 . 1 1 136 136 MET HA H 136 4.496 4.496 4.115 0.381 25104 744 1 1 . 1 1 136 136 MET C C 136 178.649 178.649 176.550 2.099 25104 745 1 1 . 1 1 136 136 MET CA C 136 56.829 56.829 56.840 -0.011 25104 746 1 1 . 1 1 136 136 MET CB C 136 30.215 30.215 32.269 -2.054 25104 747 1 1 . 1 1 136 136 MET H H 136 8.854 8.854 8.343 0.511 25104 748 1 1 . 1 1 137 137 ASN N N 137 114.457 114.457 117.104 -2.647 25104 749 1 1 . 1 1 137 137 ASN HA H 137 4.504 4.504 4.458 0.046 25104 750 1 1 . 1 1 137 137 ASN C C 137 178.441 178.441 177.221 1.220 25104 751 1 1 . 1 1 137 137 ASN CA C 137 55.819 55.819 55.886 -0.067 25104 752 1 1 . 1 1 137 137 ASN CB C 137 36.016 36.016 37.438 -1.423 25104 753 1 1 . 1 1 137 137 ASN H H 137 8.932 8.932 8.780 0.152 25104 754 1 1 . 1 1 138 138 ILE N N 138 124.190 124.190 120.351 3.839 25104 755 1 1 . 1 1 138 138 ILE HA H 138 3.800 3.800 3.973 -0.173 25104 756 1 1 . 1 1 138 138 ILE C C 138 178.595 178.595 177.819 0.776 25104 757 1 1 . 1 1 138 138 ILE CA C 138 61.581 61.581 61.723 -0.142 25104 758 1 1 . 1 1 138 138 ILE CB C 138 34.468 34.468 36.712 -2.244 25104 759 1 1 . 1 1 138 138 ILE H H 138 7.686 7.686 7.191 0.495 25104 760 1 1 . 1 1 139 139 VAL N N 139 121.912 121.912 121.126 0.786 25104 761 1 1 . 1 1 139 139 VAL HA H 139 3.879 3.879 3.485 0.394 25104 762 1 1 . 1 1 139 139 VAL C C 139 179.051 179.051 178.230 0.821 25104 763 1 1 . 1 1 139 139 VAL CA C 139 66.206 66.206 67.243 -1.037 25104 764 1 1 . 1 1 139 139 VAL CB C 139 31.195 31.195 31.464 -0.269 25104 765 1 1 . 1 1 139 139 VAL H H 139 7.286 7.286 7.632 -0.346 25104 766 1 1 . 1 1 140 140 GLU N N 140 117.357 117.357 118.333 -0.976 25104 767 1 1 . 1 1 140 140 GLU HA H 140 4.095 4.095 4.051 0.044 25104 768 1 1 . 1 1 140 140 GLU C C 140 180.486 180.486 178.143 2.343 25104 769 1 1 . 1 1 140 140 GLU CA C 140 59.336 59.336 58.405 0.931 25104 770 1 1 . 1 1 140 140 GLU CB C 140 30.199 30.199 29.323 0.875 25104 771 1 1 . 1 1 140 140 GLU H H 140 8.309 8.309 8.018 0.291 25104 772 1 1 . 1 1 141 141 ALA N N 141 121.133 121.133 122.569 -1.436 25104 773 1 1 . 1 1 141 141 ALA HA H 141 4.118 4.118 3.947 0.171 25104 774 1 1 . 1 1 141 141 ALA C C 141 181.524 181.524 178.951 2.573 25104 775 1 1 . 1 1 141 141 ALA CA C 141 54.771 54.771 54.635 0.137 25104 776 1 1 . 1 1 141 141 ALA CB C 141 18.207 18.207 18.525 -0.318 25104 777 1 1 . 1 1 141 141 ALA H H 141 7.539 7.539 7.538 0.001 25104 778 1 1 . 1 1 142 142 MET N N 142 117.513 117.513 116.937 0.576 25104 779 1 1 . 1 1 142 142 MET HA H 142 3.993 3.993 4.414 -0.421 25104 780 1 1 . 1 1 142 142 MET C C 142 178.862 178.862 178.789 0.073 25104 781 1 1 . 1 1 142 142 MET CA C 142 59.678 59.678 58.860 0.818 25104 782 1 1 . 1 1 142 142 MET CB C 142 33.723 33.723 32.506 1.217 25104 783 1 1 . 1 1 142 142 MET H H 142 8.284 8.284 7.817 0.467 25104 784 1 1 . 1 1 143 143 GLU N N 143 116.365 116.365 119.983 -3.618 25104 785 1 1 . 1 1 143 143 GLU HA H 143 3.772 3.772 4.025 -0.253 25104 786 1 1 . 1 1 143 143 GLU C C 143 179.051 179.051 178.770 0.281 25104 787 1 1 . 1 1 143 143 GLU CA C 143 59.345 59.345 59.683 -0.338 25104 788 1 1 . 1 1 143 143 GLU CB C 143 30.470 30.470 29.506 0.963 25104 789 1 1 . 1 1 143 143 GLU H H 143 7.853 7.853 7.895 -0.042 25104 790 1 1 . 1 1 144 144 ARG N N 144 114.753 114.753 115.891 -1.138 25104 791 1 1 . 1 1 144 144 ARG HA H 144 3.978 3.978 4.067 -0.089 25104 792 1 1 . 1 1 144 144 ARG C C 144 178.222 178.222 176.891 1.331 25104 793 1 1 . 1 1 144 144 ARG CA C 144 57.669 57.669 57.487 0.182 25104 794 1 1 . 1 1 144 144 ARG CB C 144 29.523 29.523 29.963 -0.440 25104 795 1 1 . 1 1 144 144 ARG H H 144 7.082 7.082 7.282 -0.200 25104 796 1 1 . 1 1 145 145 PHE N N 145 115.388 115.388 116.424 -1.036 25104 797 1 1 . 1 1 145 145 PHE HA H 145 4.851 4.851 4.630 0.221 25104 798 1 1 . 1 1 145 145 PHE C C 145 176.868 176.868 174.975 1.893 25104 799 1 1 . 1 1 145 145 PHE CA C 145 57.717 57.717 58.190 -0.473 25104 800 1 1 . 1 1 145 145 PHE CB C 145 38.998 38.998 39.392 -0.394 25104 801 1 1 . 1 1 145 145 PHE H H 145 7.651 7.651 7.498 0.153 25104 802 1 1 . 1 1 146 146 GLY N N 146 104.842 104.842 107.234 -2.392 25104 803 1 1 . 1 1 146 146 GLY C C 146 172.946 172.946 173.591 -0.645 25104 804 1 1 . 1 1 146 146 GLY CA C 146 44.065 44.065 44.364 -0.299 25104 805 1 1 . 1 1 146 146 GLY H H 146 7.551 7.551 7.525 0.026 25104 806 1 1 . 1 1 147 147 SER N N 147 110.079 110.079 113.449 -3.370 25104 807 1 1 . 1 1 147 147 SER HA H 147 4.813 4.813 4.854 -0.041 25104 808 1 1 . 1 1 147 147 SER C C 147 176.384 176.384 175.546 0.838 25104 809 1 1 . 1 1 147 147 SER CA C 147 58.165 58.165 56.397 1.768 25104 810 1 1 . 1 1 147 147 SER CB C 147 65.804 65.804 66.463 -0.659 25104 811 1 1 . 1 1 147 147 SER H H 147 8.229 8.229 8.144 0.085 25104 812 1 1 . 1 1 148 148 ARG N N 148 120.299 120.299 122.742 -2.443 25104 813 1 1 . 1 1 148 148 ARG HA H 148 4.221 4.221 4.121 0.100 25104 814 1 1 . 1 1 148 148 ARG C C 148 177.709 177.709 176.745 0.964 25104 815 1 1 . 1 1 148 148 ARG CA C 148 59.810 59.810 58.855 0.955 25104 816 1 1 . 1 1 148 148 ARG CB C 148 29.896 29.896 29.720 0.176 25104 817 1 1 . 1 1 148 148 ARG H H 148 8.850 8.850 8.808 0.042 25104 818 1 1 . 1 1 149 149 ASN N N 149 111.689 111.689 113.723 -2.034 25104 819 1 1 . 1 1 149 149 ASN HA H 149 4.901 4.901 4.617 0.284 25104 820 1 1 . 1 1 149 149 ASN C C 149 177.708 177.708 175.910 1.798 25104 821 1 1 . 1 1 149 149 ASN CA C 149 52.305 52.305 53.369 -1.064 25104 822 1 1 . 1 1 149 149 ASN CB C 149 38.477 38.477 37.966 0.511 25104 823 1 1 . 1 1 149 149 ASN H H 149 7.891 7.891 7.982 -0.091 25104 824 1 1 . 1 1 150 150 GLY N N 150 110.138 110.138 107.631 2.507 25104 825 1 1 . 1 1 150 150 GLY C C 150 174.368 174.368 173.455 0.913 25104 826 1 1 . 1 1 150 150 GLY CA C 150 45.257 45.257 44.725 0.532 25104 827 1 1 . 1 1 150 150 GLY H H 150 8.087 8.087 8.139 -0.052 25104 828 1 1 . 1 1 151 151 LYS N N 151 119.859 119.859 122.440 -2.581 25104 829 1 1 . 1 1 151 151 LYS HA H 151 4.466 4.466 4.353 0.113 25104 830 1 1 . 1 1 151 151 LYS C C 151 179.533 179.533 175.085 4.448 25104 831 1 1 . 1 1 151 151 LYS CA C 151 57.088 57.088 57.036 0.052 25104 832 1 1 . 1 1 151 151 LYS CB C 151 32.435 32.435 33.840 -1.405 25104 833 1 1 . 1 1 151 151 LYS H H 151 7.534 7.534 7.913 -0.379 25104 834 1 1 . 1 1 152 152 THR N N 152 116.442 116.442 115.285 1.157 25104 835 1 1 . 1 1 152 152 THR HA H 152 5.579 5.579 4.889 0.690 25104 836 1 1 . 1 1 152 152 THR C C 152 176.969 176.969 174.425 2.544 25104 837 1 1 . 1 1 152 152 THR CA C 152 60.097 60.097 60.576 -0.479 25104 838 1 1 . 1 1 152 152 THR CB C 152 71.324 71.324 70.085 1.238 25104 839 1 1 . 1 1 152 152 THR H H 152 8.837 8.837 8.500 0.337 25104 840 1 1 . 1 1 153 153 SER N N 153 117.113 117.113 119.699 -2.586 25104 841 1 1 . 1 1 153 153 SER HA H 153 4.574 4.574 4.372 0.202 25104 842 1 1 . 1 1 153 153 SER C C 153 175.737 175.737 175.117 0.620 25104 843 1 1 . 1 1 153 153 SER CA C 153 58.222 58.222 60.574 -2.352 25104 844 1 1 . 1 1 153 153 SER CB C 153 63.922 63.922 63.418 0.504 25104 845 1 1 . 1 1 153 153 SER H H 153 9.424 9.424 8.733 0.691 25104 846 1 1 . 1 1 154 154 LYS N N 154 119.347 119.347 119.784 -0.437 25104 847 1 1 . 1 1 154 154 LYS HA H 154 4.594 4.594 4.480 0.114 25104 848 1 1 . 1 1 154 154 LYS C C 154 175.436 175.436 175.378 0.058 25104 849 1 1 . 1 1 154 154 LYS CA C 154 54.578 54.578 54.133 0.445 25104 850 1 1 . 1 1 154 154 LYS CB C 154 38.443 38.443 34.270 4.173 25104 851 1 1 . 1 1 154 154 LYS H H 154 7.566 7.566 7.428 0.138 25104 852 1 1 . 1 1 155 155 LYS N N 155 121.869 121.869 123.887 -2.018 25104 853 1 1 . 1 1 155 155 LYS HA H 155 4.348 4.348 4.513 -0.165 25104 854 1 1 . 1 1 155 155 LYS C C 155 176.946 176.946 175.699 1.247 25104 855 1 1 . 1 1 155 155 LYS CA C 155 56.325 56.325 54.806 1.518 25104 856 1 1 . 1 1 155 155 LYS CB C 155 32.136 32.136 31.585 0.551 25104 857 1 1 . 1 1 155 155 LYS H H 155 8.820 8.820 8.389 0.431 25104 858 1 1 . 1 1 156 156 ILE N N 156 134.145 134.145 129.001 5.144 25104 859 1 1 . 1 1 156 156 ILE HA H 156 5.134 5.134 4.716 0.418 25104 860 1 1 . 1 1 156 156 ILE C C 156 177.451 177.451 175.310 2.141 25104 861 1 1 . 1 1 156 156 ILE CA C 156 59.538 59.538 60.674 -1.136 25104 862 1 1 . 1 1 156 156 ILE CB C 156 37.167 37.167 37.499 -0.332 25104 863 1 1 . 1 1 156 156 ILE H H 156 9.609 9.609 8.146 1.463 25104 864 1 1 . 1 1 157 157 THR N N 157 117.447 117.447 118.972 -1.525 25104 865 1 1 . 1 1 157 157 THR HA H 157 5.311 5.311 5.134 0.177 25104 866 1 1 . 1 1 157 157 THR C C 157 174.572 174.572 174.728 -0.156 25104 867 1 1 . 1 1 157 157 THR CA C 157 59.679 59.679 59.371 0.308 25104 868 1 1 . 1 1 157 157 THR CB C 157 72.708 72.708 70.941 1.768 25104 869 1 1 . 1 1 157 157 THR H H 157 9.281 9.281 8.895 0.386 25104 870 1 1 . 1 1 158 158 ILE N N 158 121.950 121.950 125.993 -4.043 25104 871 1 1 . 1 1 158 158 ILE HA H 158 4.293 4.293 4.297 -0.004 25104 872 1 1 . 1 1 158 158 ILE C C 158 175.631 175.631 176.564 -0.933 25104 873 1 1 . 1 1 158 158 ILE CA C 158 60.992 60.992 62.214 -1.222 25104 874 1 1 . 1 1 158 158 ILE CB C 158 36.826 36.826 36.595 0.231 25104 875 1 1 . 1 1 158 158 ILE H H 158 8.624 8.624 8.365 0.259 25104 876 1 1 . 1 1 159 159 ALA N N 159 132.727 132.727 131.864 0.863 25104 877 1 1 . 1 1 159 159 ALA HA H 159 4.179 4.179 4.082 0.097 25104 878 1 1 . 1 1 159 159 ALA C C 159 179.489 179.489 177.442 2.047 25104 879 1 1 . 1 1 159 159 ALA CA C 159 54.243 54.243 54.456 -0.213 25104 880 1 1 . 1 1 159 159 ALA CB C 159 18.804 18.804 19.242 -0.438 25104 881 1 1 . 1 1 159 159 ALA H H 159 8.910 8.910 8.601 0.309 25104 882 1 1 . 1 1 160 160 ASP N N 160 111.561 111.561 112.386 -0.825 25104 883 1 1 . 1 1 160 160 ASP HA H 160 4.937 4.937 4.981 -0.044 25104 884 1 1 . 1 1 160 160 ASP C C 160 173.920 173.920 174.660 -0.740 25104 885 1 1 . 1 1 160 160 ASP CA C 160 52.873 52.873 53.539 -0.666 25104 886 1 1 . 1 1 160 160 ASP CB C 160 43.620 43.620 43.888 -0.268 25104 887 1 1 . 1 1 160 160 ASP H H 160 8.107 8.107 7.776 0.331 25104 888 1 1 . 1 1 161 161 CYS N N 161 116.145 116.145 116.357 -0.212 25104 889 1 1 . 1 1 161 161 CYS HA H 161 4.626 4.626 5.797 -1.171 25104 890 1 1 . 1 1 161 161 CYS C C 161 173.426 173.426 174.265 -0.839 25104 891 1 1 . 1 1 161 161 CYS CA C 161 55.518 55.518 56.346 -0.828 25104 892 1 1 . 1 1 161 161 CYS CB C 161 31.463 31.463 32.195 -0.732 25104 893 1 1 . 1 1 161 161 CYS H H 161 8.640 8.640 8.605 0.035 25104 894 1 1 . 1 1 162 162 GLY N N 162 104.114 104.114 107.933 -3.819 25104 895 1 1 . 1 1 162 162 GLY C C 162 171.116 171.116 173.451 -2.335 25104 896 1 1 . 1 1 162 162 GLY CA C 162 45.436 45.436 44.857 0.579 25104 897 1 1 . 1 1 162 162 GLY H H 162 6.889 6.889 8.320 -1.431 25104 898 1 1 . 1 1 163 163 GLN N N 163 121.022 121.022 117.657 3.365 25104 899 1 1 . 1 1 163 163 GLN HA H 163 5.150 5.150 4.221 0.929 25104 900 1 1 . 1 1 163 163 GLN C C 163 176.548 176.548 175.556 0.992 25104 901 1 1 . 1 1 163 163 GLN CA C 163 54.794 54.794 56.179 -1.385 25104 902 1 1 . 1 1 163 163 GLN CB C 163 30.765 30.765 29.057 1.708 25104 903 1 1 . 1 1 163 163 GLN H H 163 9.062 9.062 7.897 1.165 25104 904 1 1 . 1 1 164 164 LEU N N 164 126.034 126.034 126.166 -0.132 25104 905 1 1 . 1 1 164 164 LEU HA H 164 4.641 4.641 4.326 0.315 25104 906 1 1 . 1 1 164 164 LEU C C 164 177.108 177.108 175.746 1.362 25104 907 1 1 . 1 1 164 164 LEU CA C 164 55.036 55.036 54.728 0.308 25104 908 1 1 . 1 1 164 164 LEU CB C 164 43.560 43.560 40.371 3.189 25104 909 1 1 . 1 1 164 164 LEU H H 164 8.639 8.639 8.366 0.273 25104 910 1 2 . 1 1 2 2 VAL N N 2 111.261 111.261 124.170 -12.909 25104 911 1 2 . 1 1 2 2 VAL HA H 2 4.126 4.126 3.953 0.173 25104 912 1 2 . 1 1 2 2 VAL C C 2 176.404 176.404 174.639 1.765 25104 913 1 2 . 1 1 2 2 VAL CA C 2 61.417 61.417 62.539 -1.122 25104 914 1 2 . 1 1 2 2 VAL CB C 2 33.763 33.763 30.756 3.007 25104 915 1 2 . 1 1 2 2 VAL H H 2 8.447 8.447 8.450 -0.003 25104 916 1 2 . 1 1 3 3 ASN N N 3 126.056 126.056 126.405 -0.349 25104 917 1 2 . 1 1 3 3 ASN HA H 3 5.205 5.205 5.420 -0.215 25104 918 1 2 . 1 1 3 3 ASN CA C 3 50.987 50.987 50.790 0.197 25104 919 1 2 . 1 1 3 3 ASN CB C 3 38.031 38.031 39.715 -1.685 25104 920 1 2 . 1 1 3 3 ASN H H 3 8.666 8.666 7.758 0.908 25104 921 1 2 . 1 1 4 4 PRO HA H 4 4.818 4.818 4.465 0.353 25104 922 1 2 . 1 1 4 4 PRO C C 4 176.242 176.242 176.007 0.235 25104 923 1 2 . 1 1 4 4 PRO CA C 4 62.832 62.832 62.631 0.201 25104 924 1 2 . 1 1 4 4 PRO CB C 4 33.162 33.162 32.717 0.445 25104 925 1 2 . 1 1 5 5 THR N N 5 115.265 115.265 119.973 -4.708 25104 926 1 2 . 1 1 5 5 THR HA H 5 5.759 5.759 5.119 0.640 25104 927 1 2 . 1 1 5 5 THR C C 5 176.483 176.483 173.909 2.574 25104 928 1 2 . 1 1 5 5 THR CA C 5 60.867 60.867 62.090 -1.223 25104 929 1 2 . 1 1 5 5 THR CB C 5 71.050 71.050 69.710 1.340 25104 930 1 2 . 1 1 5 5 THR H H 5 8.787 8.787 8.021 0.766 25104 931 1 2 . 1 1 6 6 VAL N N 6 120.640 120.640 127.393 -6.753 25104 932 1 2 . 1 1 6 6 VAL HA H 6 5.379 5.379 4.216 1.163 25104 933 1 2 . 1 1 6 6 VAL C C 6 174.710 174.710 174.265 0.445 25104 934 1 2 . 1 1 6 6 VAL CA C 6 58.881 58.881 61.150 -2.269 25104 935 1 2 . 1 1 6 6 VAL CB C 6 36.180 36.180 33.081 3.099 25104 936 1 2 . 1 1 6 6 VAL H H 6 8.805 8.805 8.334 0.471 25104 937 1 2 . 1 1 7 7 PHE N N 7 119.359 119.359 129.037 -9.678 25104 938 1 2 . 1 1 7 7 PHE HA H 7 5.948 5.948 4.569 1.379 25104 939 1 2 . 1 1 7 7 PHE C C 7 173.634 173.634 173.292 0.342 25104 940 1 2 . 1 1 7 7 PHE CA C 7 55.925 55.925 56.962 -1.037 25104 941 1 2 . 1 1 7 7 PHE CB C 7 43.166 43.166 41.239 1.927 25104 942 1 2 . 1 1 7 7 PHE H H 7 8.995 8.995 8.619 0.376 25104 943 1 2 . 1 1 8 8 PHE N N 8 117.097 117.097 124.536 -7.439 25104 944 1 2 . 1 1 8 8 PHE HA H 8 5.367 5.367 5.224 0.143 25104 945 1 2 . 1 1 8 8 PHE C C 8 176.000 176.000 174.225 1.775 25104 946 1 2 . 1 1 8 8 PHE CA C 8 53.460 53.460 55.011 -1.551 25104 947 1 2 . 1 1 8 8 PHE CB C 8 42.791 42.791 43.553 -0.762 25104 948 1 2 . 1 1 8 8 PHE H H 8 9.571 9.571 8.197 1.374 25104 949 1 2 . 1 1 9 9 ASP N N 9 124.287 124.287 122.415 1.872 25104 950 1 2 . 1 1 9 9 ASP HA H 9 5.585 5.585 5.082 0.503 25104 951 1 2 . 1 1 9 9 ASP C C 9 176.286 176.286 175.118 1.168 25104 952 1 2 . 1 1 9 9 ASP CA C 9 54.831 54.831 53.906 0.925 25104 953 1 2 . 1 1 9 9 ASP CB C 9 41.366 41.366 43.017 -1.651 25104 954 1 2 . 1 1 9 9 ASP H H 9 9.301 9.301 8.691 0.610 25104 955 1 2 . 1 1 10 10 ILE N N 10 124.286 124.286 124.590 -0.304 25104 956 1 2 . 1 1 10 10 ILE HA H 10 5.213 5.213 4.277 0.936 25104 957 1 2 . 1 1 10 10 ILE C C 10 177.031 177.031 174.538 2.493 25104 958 1 2 . 1 1 10 10 ILE CA C 10 58.233 58.233 59.236 -1.003 25104 959 1 2 . 1 1 10 10 ILE CB C 10 37.769 37.769 36.688 1.081 25104 960 1 2 . 1 1 10 10 ILE H H 10 9.059 9.059 8.517 0.542 25104 961 1 2 . 1 1 11 11 ALA N N 11 132.503 132.503 131.245 1.258 25104 962 1 2 . 1 1 11 11 ALA HA H 11 5.216 5.216 5.184 0.032 25104 963 1 2 . 1 1 11 11 ALA C C 11 175.928 175.928 175.638 0.290 25104 964 1 2 . 1 1 11 11 ALA CA C 11 50.948 50.948 49.956 0.992 25104 965 1 2 . 1 1 11 11 ALA CB C 11 22.804 22.804 22.169 0.635 25104 966 1 2 . 1 1 11 11 ALA H H 11 9.642 9.642 8.904 0.738 25104 967 1 2 . 1 1 12 12 VAL N N 12 118.551 118.551 124.615 -6.064 25104 968 1 2 . 1 1 12 12 VAL HA H 12 4.578 4.578 3.964 0.614 25104 969 1 2 . 1 1 12 12 VAL C C 12 177.347 177.347 175.641 1.706 25104 970 1 2 . 1 1 12 12 VAL CA C 12 60.457 60.457 62.216 -1.759 25104 971 1 2 . 1 1 12 12 VAL CB C 12 33.301 33.301 32.092 1.209 25104 972 1 2 . 1 1 12 12 VAL H H 12 8.984 8.984 8.416 0.568 25104 973 1 2 . 1 1 13 13 ASP N N 13 131.009 131.009 127.827 3.182 25104 974 1 2 . 1 1 13 13 ASP HA H 13 4.359 4.359 4.219 0.140 25104 975 1 2 . 1 1 13 13 ASP C C 13 176.795 176.795 176.337 0.458 25104 976 1 2 . 1 1 13 13 ASP CA C 13 55.880 55.880 55.330 0.550 25104 977 1 2 . 1 1 13 13 ASP CB C 13 39.999 39.999 38.913 1.086 25104 978 1 2 . 1 1 13 13 ASP H H 13 9.868 9.868 9.113 0.755 25104 979 1 2 . 1 1 14 14 GLY N N 14 101.848 101.848 103.689 -1.841 25104 980 1 2 . 1 1 14 14 GLY C C 14 174.700 174.700 174.454 0.246 25104 981 1 2 . 1 1 14 14 GLY CA C 14 45.303 45.303 45.116 0.187 25104 982 1 2 . 1 1 14 14 GLY H H 14 8.578 8.578 8.392 0.186 25104 983 1 2 . 1 1 15 15 GLU N N 15 123.331 123.331 122.864 0.467 25104 984 1 2 . 1 1 15 15 GLU HA H 15 4.891 4.891 4.674 0.217 25104 985 1 2 . 1 1 15 15 GLU CA C 15 52.932 52.932 53.122 -0.190 25104 986 1 2 . 1 1 15 15 GLU CB C 15 30.468 30.468 29.606 0.862 25104 987 1 2 . 1 1 15 15 GLU H H 15 8.086 8.086 7.677 0.409 25104 988 1 2 . 1 1 16 16 PRO HA H 16 4.240 4.240 4.492 -0.252 25104 989 1 2 . 1 1 16 16 PRO C C 16 177.072 177.072 176.232 0.840 25104 990 1 2 . 1 1 16 16 PRO CA C 16 64.838 64.838 63.054 1.784 25104 991 1 2 . 1 1 16 16 PRO CB C 16 32.368 32.368 31.767 0.601 25104 992 1 2 . 1 1 17 17 LEU N N 17 126.051 126.051 126.737 -0.686 25104 993 1 2 . 1 1 17 17 LEU HA H 17 4.739 4.739 4.342 0.397 25104 994 1 2 . 1 1 17 17 LEU C C 17 176.975 176.975 176.527 0.448 25104 995 1 2 . 1 1 17 17 LEU CA C 17 55.511 55.511 55.828 -0.316 25104 996 1 2 . 1 1 17 17 LEU CB C 17 44.257 44.257 43.120 1.137 25104 997 1 2 . 1 1 17 17 LEU H H 17 9.237 9.237 8.609 0.628 25104 998 1 2 . 1 1 18 18 GLY N N 18 102.496 102.496 105.346 -2.850 25104 999 1 2 . 1 1 18 18 GLY C C 18 170.997 170.997 171.549 -0.552 25104 1000 1 2 . 1 1 18 18 GLY CA C 18 44.713 44.713 44.917 -0.204 25104 1001 1 2 . 1 1 18 18 GLY H H 18 7.303 7.303 7.575 -0.272 25104 1002 1 2 . 1 1 19 19 ARG N N 19 121.330 121.330 119.634 1.696 25104 1003 1 2 . 1 1 19 19 ARG HA H 19 5.665 5.665 4.768 0.897 25104 1004 1 2 . 1 1 19 19 ARG C C 19 176.011 176.011 175.138 0.873 25104 1005 1 2 . 1 1 19 19 ARG CA C 19 55.106 55.106 55.280 -0.174 25104 1006 1 2 . 1 1 19 19 ARG CB C 19 33.587 33.587 32.133 1.454 25104 1007 1 2 . 1 1 19 19 ARG H H 19 8.348 8.348 8.358 -0.010 25104 1008 1 2 . 1 1 20 20 VAL N N 20 126.859 126.859 126.450 0.409 25104 1009 1 2 . 1 1 20 20 VAL HA H 20 4.650 4.650 4.451 0.199 25104 1010 1 2 . 1 1 20 20 VAL C C 20 174.836 174.836 174.700 0.136 25104 1011 1 2 . 1 1 20 20 VAL CA C 20 59.966 59.966 61.077 -1.111 25104 1012 1 2 . 1 1 20 20 VAL CB C 20 35.034 35.034 33.345 1.689 25104 1013 1 2 . 1 1 20 20 VAL H H 20 9.400 9.400 8.100 1.300 25104 1014 1 2 . 1 1 21 21 SER N N 21 120.319 120.319 121.623 -1.304 25104 1015 1 2 . 1 1 21 21 SER HA H 21 5.565 5.565 5.364 0.201 25104 1016 1 2 . 1 1 21 21 SER C C 21 174.694 174.694 173.854 0.840 25104 1017 1 2 . 1 1 21 21 SER CA C 21 55.462 55.462 56.344 -0.882 25104 1018 1 2 . 1 1 21 21 SER CB C 21 66.546 66.546 65.483 1.063 25104 1019 1 2 . 1 1 21 21 SER H H 21 8.791 8.791 7.988 0.803 25104 1020 1 2 . 1 1 22 22 PHE N N 22 119.239 119.239 120.881 -1.642 25104 1021 1 2 . 1 1 22 22 PHE HA H 22 5.279 5.279 5.266 0.013 25104 1022 1 2 . 1 1 22 22 PHE C C 22 176.190 176.190 175.789 0.401 25104 1023 1 2 . 1 1 22 22 PHE CA C 22 55.882 55.882 56.403 -0.521 25104 1024 1 2 . 1 1 22 22 PHE CB C 22 42.673 42.673 42.861 -0.188 25104 1025 1 2 . 1 1 22 22 PHE H H 22 9.553 9.553 8.950 0.603 25104 1026 1 2 . 1 1 23 23 GLU N N 23 123.308 123.308 121.345 1.963 25104 1027 1 2 . 1 1 23 23 GLU HA H 23 4.797 4.797 4.910 -0.113 25104 1028 1 2 . 1 1 23 23 GLU C C 23 175.673 175.673 175.315 0.358 25104 1029 1 2 . 1 1 23 23 GLU CA C 23 55.119 55.119 54.698 0.421 25104 1030 1 2 . 1 1 23 23 GLU CB C 23 32.058 32.058 32.200 -0.143 25104 1031 1 2 . 1 1 23 23 GLU H H 23 8.791 8.791 8.612 0.179 25104 1032 1 2 . 1 1 24 24 LEU N N 24 122.539 122.539 126.993 -4.454 25104 1033 1 2 . 1 1 24 24 LEU HA H 24 4.749 4.749 4.673 0.076 25104 1034 1 2 . 1 1 24 24 LEU C C 24 178.229 178.229 177.112 1.117 25104 1035 1 2 . 1 1 24 24 LEU CA C 24 51.899 51.899 54.085 -2.186 25104 1036 1 2 . 1 1 24 24 LEU CB C 24 43.248 43.248 42.570 0.678 25104 1037 1 2 . 1 1 24 24 LEU H H 24 8.198 8.198 8.563 -0.365 25104 1038 1 2 . 1 1 25 25 PHE N N 25 124.715 124.715 123.195 1.520 25104 1039 1 2 . 1 1 25 25 PHE HA H 25 5.171 5.171 4.792 0.379 25104 1040 1 2 . 1 1 25 25 PHE C C 25 177.485 177.485 175.708 1.777 25104 1041 1 2 . 1 1 25 25 PHE CA C 25 54.699 54.699 56.876 -2.176 25104 1042 1 2 . 1 1 25 25 PHE CB C 25 36.100 36.100 36.528 -0.428 25104 1043 1 2 . 1 1 25 25 PHE H H 25 8.864 8.864 9.033 -0.169 25104 1044 1 2 . 1 1 26 26 ALA N N 26 128.663 128.663 124.877 3.786 25104 1045 1 2 . 1 1 26 26 ALA HA H 26 3.838 3.838 4.149 -0.311 25104 1046 1 2 . 1 1 26 26 ALA C C 26 177.291 177.291 178.244 -0.953 25104 1047 1 2 . 1 1 26 26 ALA CA C 26 54.316 54.316 54.845 -0.529 25104 1048 1 2 . 1 1 26 26 ALA CB C 26 19.002 19.002 18.874 0.128 25104 1049 1 2 . 1 1 26 26 ALA H H 26 8.480 8.480 7.687 0.793 25104 1050 1 2 . 1 1 27 27 ASP N N 27 114.191 114.191 115.393 -1.202 25104 1051 1 2 . 1 1 27 27 ASP HA H 27 4.197 4.197 4.478 -0.281 25104 1052 1 2 . 1 1 27 27 ASP C C 27 177.976 177.976 177.047 0.929 25104 1053 1 2 . 1 1 27 27 ASP CA C 27 55.410 55.410 56.076 -0.666 25104 1054 1 2 . 1 1 27 27 ASP CB C 27 38.821 38.821 40.311 -1.490 25104 1055 1 2 . 1 1 27 27 ASP H H 27 9.145 9.145 8.639 0.506 25104 1056 1 2 . 1 1 28 28 LYS N N 28 118.107 118.107 117.899 0.208 25104 1057 1 2 . 1 1 28 28 LYS HA H 28 4.599 4.599 4.521 0.078 25104 1058 1 2 . 1 1 28 28 LYS C C 28 177.840 177.840 177.064 0.776 25104 1059 1 2 . 1 1 28 28 LYS CA C 28 56.262 56.262 57.185 -0.923 25104 1060 1 2 . 1 1 28 28 LYS CB C 28 36.006 36.006 35.525 0.481 25104 1061 1 2 . 1 1 28 28 LYS H H 28 7.569 7.569 7.648 -0.079 25104 1062 1 2 . 1 1 29 29 VAL N N 29 114.551 114.551 115.375 -0.824 25104 1063 1 2 . 1 1 29 29 VAL HA H 29 4.487 4.487 4.749 -0.262 25104 1064 1 2 . 1 1 29 29 VAL CA C 29 58.309 58.309 58.575 -0.266 25104 1065 1 2 . 1 1 29 29 VAL CB C 29 32.078 32.078 31.908 0.170 25104 1066 1 2 . 1 1 29 29 VAL H H 29 8.364 8.364 8.122 0.242 25104 1067 1 2 . 1 1 30 30 PRO HA H 30 4.450 4.450 4.390 0.060 25104 1068 1 2 . 1 1 30 30 PRO C C 30 181.892 181.892 178.792 3.100 25104 1069 1 2 . 1 1 30 30 PRO CA C 30 66.227 66.227 65.802 0.425 25104 1070 1 2 . 1 1 30 30 PRO CB C 30 31.547 31.547 32.050 -0.503 25104 1071 1 2 . 1 1 31 31 LYS N N 31 123.785 123.785 118.366 5.419 25104 1072 1 2 . 1 1 31 31 LYS HA H 31 4.105 4.105 4.076 0.029 25104 1073 1 2 . 1 1 31 31 LYS C C 31 182.749 182.749 178.627 4.122 25104 1074 1 2 . 1 1 31 31 LYS CA C 31 61.057 61.057 60.205 0.852 25104 1075 1 2 . 1 1 31 31 LYS CB C 31 32.468 32.468 32.173 0.295 25104 1076 1 2 . 1 1 31 31 LYS H H 31 10.684 10.684 8.197 2.487 25104 1077 1 2 . 1 1 32 32 THR N N 32 124.002 124.002 114.039 9.963 25104 1078 1 2 . 1 1 32 32 THR HA H 32 4.034 4.034 4.278 -0.244 25104 1079 1 2 . 1 1 32 32 THR C C 32 178.673 178.673 176.138 2.535 25104 1080 1 2 . 1 1 32 32 THR CA C 32 67.526 67.526 66.655 0.871 25104 1081 1 2 . 1 1 32 32 THR CB C 32 68.705 68.705 68.468 0.237 25104 1082 1 2 . 1 1 32 32 THR H H 32 10.320 10.320 8.230 2.090 25104 1083 1 2 . 1 1 33 33 ALA N N 33 125.616 125.616 124.082 1.534 25104 1084 1 2 . 1 1 33 33 ALA HA H 33 4.092 4.092 4.306 -0.214 25104 1085 1 2 . 1 1 33 33 ALA C C 33 179.174 179.174 179.249 -0.075 25104 1086 1 2 . 1 1 33 33 ALA CA C 33 55.972 55.972 55.205 0.768 25104 1087 1 2 . 1 1 33 33 ALA CB C 33 18.414 18.414 18.293 0.121 25104 1088 1 2 . 1 1 33 33 ALA H H 33 9.311 9.311 7.960 1.351 25104 1089 1 2 . 1 1 34 34 GLU N N 34 117.376 117.376 119.091 -1.715 25104 1090 1 2 . 1 1 34 34 GLU HA H 34 4.556 4.556 3.965 0.591 25104 1091 1 2 . 1 1 34 34 GLU C C 34 178.418 178.418 178.623 -0.205 25104 1092 1 2 . 1 1 34 34 GLU CA C 34 58.238 58.238 59.051 -0.813 25104 1093 1 2 . 1 1 34 34 GLU CB C 34 28.181 28.181 29.340 -1.159 25104 1094 1 2 . 1 1 34 34 GLU H H 34 8.069 8.069 8.104 -0.035 25104 1095 1 2 . 1 1 35 35 ASN N N 35 115.722 115.722 118.567 -2.845 25104 1096 1 2 . 1 1 35 35 ASN HA H 35 4.108 4.108 4.304 -0.196 25104 1097 1 2 . 1 1 35 35 ASN C C 35 175.568 175.568 177.267 -1.699 25104 1098 1 2 . 1 1 35 35 ASN CA C 35 56.768 56.768 55.995 0.773 25104 1099 1 2 . 1 1 35 35 ASN CB C 35 39.644 39.644 38.197 1.447 25104 1100 1 2 . 1 1 35 35 ASN H H 35 7.193 7.193 7.930 -0.737 25104 1101 1 2 . 1 1 36 36 PHE N N 36 117.929 117.929 120.569 -2.640 25104 1102 1 2 . 1 1 36 36 PHE HA H 36 4.158 4.158 4.061 0.097 25104 1103 1 2 . 1 1 36 36 PHE C C 36 179.707 179.707 177.433 2.274 25104 1104 1 2 . 1 1 36 36 PHE CA C 36 61.589 61.589 61.157 0.432 25104 1105 1 2 . 1 1 36 36 PHE CB C 36 39.948 39.948 39.054 0.894 25104 1106 1 2 . 1 1 36 36 PHE H H 36 7.065 7.065 7.417 -0.352 25104 1107 1 2 . 1 1 37 37 ARG N N 37 121.048 121.048 120.328 0.720 25104 1108 1 2 . 1 1 37 37 ARG HA H 37 3.685 3.685 3.843 -0.158 25104 1109 1 2 . 1 1 37 37 ARG C C 37 179.000 179.000 177.968 1.032 25104 1110 1 2 . 1 1 37 37 ARG CA C 37 60.515 60.515 59.831 0.684 25104 1111 1 2 . 1 1 37 37 ARG CB C 37 29.880 29.880 30.139 -0.259 25104 1112 1 2 . 1 1 37 37 ARG H H 37 8.975 8.975 8.322 0.653 25104 1113 1 2 . 1 1 38 38 ALA N N 38 119.232 119.232 121.163 -1.931 25104 1114 1 2 . 1 1 38 38 ALA HA H 38 4.126 4.126 4.373 -0.247 25104 1115 1 2 . 1 1 38 38 ALA C C 38 183.365 183.365 179.949 3.416 25104 1116 1 2 . 1 1 38 38 ALA CA C 38 54.477 54.477 54.290 0.187 25104 1117 1 2 . 1 1 38 38 ALA CB C 38 18.405 18.405 18.569 -0.164 25104 1118 1 2 . 1 1 38 38 ALA H H 38 8.741 8.741 7.949 0.792 25104 1119 1 2 . 1 1 39 39 LEU N N 39 120.723 120.723 118.817 1.906 25104 1120 1 2 . 1 1 39 39 LEU HA H 39 3.800 3.800 4.208 -0.408 25104 1121 1 2 . 1 1 39 39 LEU C C 39 180.481 180.481 178.863 1.618 25104 1122 1 2 . 1 1 39 39 LEU CA C 39 57.268 57.268 57.720 -0.452 25104 1123 1 2 . 1 1 39 39 LEU CB C 39 41.218 41.218 41.679 -0.461 25104 1124 1 2 . 1 1 39 39 LEU H H 39 8.212 8.212 8.070 0.142 25104 1125 1 2 . 1 1 40 40 SER N N 40 119.210 119.210 114.450 4.760 25104 1126 1 2 . 1 1 40 40 SER HA H 40 4.341 4.341 4.309 0.032 25104 1127 1 2 . 1 1 40 40 SER C C 40 175.380 175.380 176.701 -1.321 25104 1128 1 2 . 1 1 40 40 SER CA C 40 62.924 62.924 60.969 1.955 25104 1129 1 2 . 1 1 40 40 SER CB C 40 62.992 62.992 63.253 -0.261 25104 1130 1 2 . 1 1 40 40 SER H H 40 7.938 7.938 7.953 -0.015 25104 1131 1 2 . 1 1 41 41 THR N N 41 108.556 108.556 111.141 -2.585 25104 1132 1 2 . 1 1 41 41 THR HA H 41 4.508 4.508 4.282 0.226 25104 1133 1 2 . 1 1 41 41 THR C C 41 179.088 179.088 175.845 3.243 25104 1134 1 2 . 1 1 41 41 THR CA C 41 62.492 62.492 63.598 -1.106 25104 1135 1 2 . 1 1 41 41 THR CB C 41 69.663 69.663 69.688 -0.025 25104 1136 1 2 . 1 1 41 41 THR H H 41 8.017 8.017 8.043 -0.026 25104 1137 1 2 . 1 1 42 42 GLY N N 42 108.433 108.433 110.618 -2.185 25104 1138 1 2 . 1 1 42 42 GLY C C 42 178.676 178.676 175.978 2.698 25104 1139 1 2 . 1 1 42 42 GLY CA C 42 45.840 45.840 45.247 0.593 25104 1140 1 2 . 1 1 42 42 GLY H H 42 7.621 7.621 7.796 -0.175 25104 1141 1 2 . 1 1 43 43 GLU N N 43 118.777 118.777 120.951 -2.174 25104 1142 1 2 . 1 1 43 43 GLU HA H 43 4.171 4.171 4.045 0.126 25104 1143 1 2 . 1 1 43 43 GLU C C 43 177.458 177.458 177.696 -0.238 25104 1144 1 2 . 1 1 43 43 GLU CA C 43 58.580 58.580 58.405 0.175 25104 1145 1 2 . 1 1 43 43 GLU H H 43 8.049 8.049 8.273 -0.224 25104 1146 1 2 . 1 1 44 44 LYS N N 44 118.526 118.526 116.096 2.430 25104 1147 1 2 . 1 1 44 44 LYS HA H 44 4.342 4.342 4.276 0.066 25104 1148 1 2 . 1 1 44 44 LYS C C 44 177.590 177.590 176.448 1.142 25104 1149 1 2 . 1 1 44 44 LYS CA C 44 54.405 54.405 54.508 -0.103 25104 1150 1 2 . 1 1 44 44 LYS CB C 44 30.488 30.488 31.916 -1.428 25104 1151 1 2 . 1 1 44 44 LYS H H 44 9.123 9.123 7.416 1.707 25104 1152 1 2 . 1 1 45 45 GLY N N 45 105.553 105.553 108.354 -2.801 25104 1153 1 2 . 1 1 45 45 GLY C C 45 173.518 173.518 174.161 -0.643 25104 1154 1 2 . 1 1 45 45 GLY CA C 45 44.612 44.612 45.797 -1.185 25104 1155 1 2 . 1 1 45 45 GLY H H 45 7.970 7.970 7.584 0.386 25104 1156 1 2 . 1 1 46 46 PHE N N 46 113.753 113.753 117.966 -4.213 25104 1157 1 2 . 1 1 46 46 PHE HA H 46 4.678 4.678 4.500 0.177 25104 1158 1 2 . 1 1 46 46 PHE C C 46 173.684 173.684 176.017 -2.333 25104 1159 1 2 . 1 1 46 46 PHE CA C 46 54.077 54.077 56.808 -2.731 25104 1160 1 2 . 1 1 46 46 PHE CB C 46 39.658 39.658 40.086 -0.428 25104 1161 1 2 . 1 1 46 46 PHE H H 46 6.469 6.469 7.689 -1.220 25104 1162 1 2 . 1 1 47 47 GLY N N 47 104.722 104.722 108.687 -3.965 25104 1163 1 2 . 1 1 47 47 GLY C C 47 172.446 172.446 174.935 -2.489 25104 1164 1 2 . 1 1 47 47 GLY CA C 47 45.601 45.601 45.600 0.001 25104 1165 1 2 . 1 1 47 47 GLY H H 47 7.756 7.756 8.276 -0.520 25104 1166 1 2 . 1 1 48 48 TYR N N 48 113.796 113.796 120.333 -6.537 25104 1167 1 2 . 1 1 48 48 TYR HA H 48 4.270 4.270 4.198 0.072 25104 1168 1 2 . 1 1 48 48 TYR C C 48 178.924 178.924 175.456 3.468 25104 1169 1 2 . 1 1 48 48 TYR CA C 48 57.365 57.365 59.067 -1.702 25104 1170 1 2 . 1 1 48 48 TYR CB C 48 38.832 38.832 37.335 1.497 25104 1171 1 2 . 1 1 48 48 TYR H H 48 6.948 6.948 8.358 -1.410 25104 1172 1 2 . 1 1 49 49 LYS N N 49 124.858 124.858 124.678 0.180 25104 1173 1 2 . 1 1 49 49 LYS HA H 49 3.655 3.655 4.430 -0.775 25104 1174 1 2 . 1 1 49 49 LYS C C 49 178.388 178.388 176.951 1.437 25104 1175 1 2 . 1 1 49 49 LYS CA C 49 61.018 61.018 55.460 5.558 25104 1176 1 2 . 1 1 49 49 LYS CB C 49 31.484 31.484 33.632 -2.148 25104 1177 1 2 . 1 1 49 49 LYS H H 49 8.493 8.493 7.882 0.611 25104 1178 1 2 . 1 1 50 50 GLY N N 50 117.833 117.833 115.725 2.108 25104 1179 1 2 . 1 1 50 50 GLY C C 50 175.259 175.259 174.519 0.740 25104 1180 1 2 . 1 1 50 50 GLY CA C 50 45.495 45.495 45.293 0.202 25104 1181 1 2 . 1 1 50 50 GLY H H 50 9.509 9.509 8.324 1.185 25104 1182 1 2 . 1 1 51 51 SER N N 51 116.413 116.413 114.915 1.498 25104 1183 1 2 . 1 1 51 51 SER HA H 51 4.516 4.516 4.408 0.108 25104 1184 1 2 . 1 1 51 51 SER C C 51 172.808 172.808 174.633 -1.825 25104 1185 1 2 . 1 1 51 51 SER CA C 51 59.043 59.043 59.218 -0.174 25104 1186 1 2 . 1 1 51 51 SER CB C 51 63.781 63.781 63.873 -0.092 25104 1187 1 2 . 1 1 51 51 SER H H 51 8.436 8.436 8.067 0.369 25104 1188 1 2 . 1 1 52 52 CYS N N 52 115.156 115.156 123.026 -7.870 25104 1189 1 2 . 1 1 52 52 CYS HA H 52 5.932 5.932 5.341 0.591 25104 1190 1 2 . 1 1 52 52 CYS C C 52 177.437 177.437 175.040 2.397 25104 1191 1 2 . 1 1 52 52 CYS CA C 52 55.998 55.998 56.428 -0.430 25104 1192 1 2 . 1 1 52 52 CYS CB C 52 31.953 31.953 30.242 1.711 25104 1193 1 2 . 1 1 52 52 CYS H H 52 9.875 9.875 8.176 1.699 25104 1194 1 2 . 1 1 53 53 PHE N N 53 123.068 123.068 124.677 -1.609 25104 1195 1 2 . 1 1 53 53 PHE HA H 53 4.899 4.899 4.635 0.264 25104 1196 1 2 . 1 1 53 53 PHE C C 53 175.886 175.886 176.056 -0.170 25104 1197 1 2 . 1 1 53 53 PHE CA C 53 58.389 58.389 58.249 0.140 25104 1198 1 2 . 1 1 53 53 PHE CB C 53 39.535 39.535 37.916 1.619 25104 1199 1 2 . 1 1 53 53 PHE H H 53 8.732 8.732 9.302 -0.570 25104 1200 1 2 . 1 1 54 54 HIS N N 54 120.227 120.227 120.739 -0.512 25104 1201 1 2 . 1 1 54 54 HIS HA H 54 4.763 4.763 4.834 -0.071 25104 1202 1 2 . 1 1 54 54 HIS C C 54 176.409 176.409 175.380 1.029 25104 1203 1 2 . 1 1 54 54 HIS CA C 54 57.323 57.323 55.868 1.454 25104 1204 1 2 . 1 1 54 54 HIS CB C 54 31.542 31.542 31.251 0.291 25104 1205 1 2 . 1 1 54 54 HIS H H 54 7.696 7.696 8.173 -0.477 25104 1206 1 2 . 1 1 55 55 ARG N N 55 123.202 123.202 121.990 1.212 25104 1207 1 2 . 1 1 55 55 ARG HA H 55 5.118 5.118 5.330 -0.212 25104 1208 1 2 . 1 1 55 55 ARG C C 55 174.511 174.511 173.836 0.675 25104 1209 1 2 . 1 1 55 55 ARG CA C 55 54.913 54.913 54.845 0.068 25104 1210 1 2 . 1 1 55 55 ARG CB C 55 33.805 33.805 31.013 2.792 25104 1211 1 2 . 1 1 55 55 ARG H H 55 7.089 7.089 7.051 0.038 25104 1212 1 2 . 1 1 56 56 ILE N N 56 126.621 126.621 126.206 0.415 25104 1213 1 2 . 1 1 56 56 ILE HA H 56 4.659 4.659 4.857 -0.198 25104 1214 1 2 . 1 1 56 56 ILE C C 56 174.633 174.633 174.072 0.561 25104 1215 1 2 . 1 1 56 56 ILE CA C 56 61.585 61.585 60.415 1.170 25104 1216 1 2 . 1 1 56 56 ILE CB C 56 41.452 41.452 42.353 -0.901 25104 1217 1 2 . 1 1 56 56 ILE H H 56 9.201 9.201 8.336 0.865 25104 1218 1 2 . 1 1 57 57 ILE N N 57 127.965 127.965 124.313 3.652 25104 1219 1 2 . 1 1 57 57 ILE HA H 57 5.248 5.248 5.035 0.213 25104 1220 1 2 . 1 1 57 57 ILE CA C 57 57.685 57.685 57.717 -0.032 25104 1221 1 2 . 1 1 57 57 ILE CB C 57 40.236 40.236 41.943 -1.707 25104 1222 1 2 . 1 1 57 57 ILE H H 57 8.753 8.753 9.024 -0.271 25104 1223 1 2 . 1 1 58 58 PRO HA H 58 4.382 4.382 4.569 -0.187 25104 1224 1 2 . 1 1 58 58 PRO C C 58 178.669 178.669 177.698 0.971 25104 1225 1 2 . 1 1 58 58 PRO CA C 58 63.086 63.086 63.129 -0.043 25104 1226 1 2 . 1 1 58 58 PRO CB C 58 31.996 31.996 31.977 0.018 25104 1227 1 2 . 1 1 59 59 GLY N N 59 114.176 114.176 111.800 2.376 25104 1228 1 2 . 1 1 59 59 GLY C C 59 173.281 173.281 173.580 -0.299 25104 1229 1 2 . 1 1 59 59 GLY CA C 59 45.259 45.259 45.875 -0.616 25104 1230 1 2 . 1 1 59 59 GLY H H 59 9.752 9.752 8.717 1.035 25104 1231 1 2 . 1 1 60 60 PHE N N 60 119.241 119.241 118.608 0.633 25104 1232 1 2 . 1 1 60 60 PHE HA H 60 5.153 5.153 5.106 0.047 25104 1233 1 2 . 1 1 60 60 PHE C C 60 174.401 174.401 173.287 1.114 25104 1234 1 2 . 1 1 60 60 PHE CA C 60 56.867 56.867 58.097 -1.230 25104 1235 1 2 . 1 1 60 60 PHE CB C 60 39.954 39.954 41.029 -1.075 25104 1236 1 2 . 1 1 60 60 PHE H H 60 8.196 8.196 8.145 0.051 25104 1237 1 2 . 1 1 61 61 MET N N 61 111.262 111.262 117.097 -5.835 25104 1238 1 2 . 1 1 61 61 MET HA H 61 5.369 5.369 4.944 0.425 25104 1239 1 2 . 1 1 61 61 MET C C 61 175.163 175.163 173.085 2.078 25104 1240 1 2 . 1 1 61 61 MET CA C 61 55.062 55.062 55.252 -0.189 25104 1241 1 2 . 1 1 61 61 MET CB C 61 35.010 35.010 36.286 -1.276 25104 1242 1 2 . 1 1 61 61 MET H H 61 8.128 8.128 8.329 -0.201 25104 1243 1 2 . 1 1 62 62 CYS N N 62 114.848 114.848 122.698 -7.850 25104 1244 1 2 . 1 1 62 62 CYS HA H 62 4.941 4.941 5.000 -0.059 25104 1245 1 2 . 1 1 62 62 CYS C C 62 174.075 174.075 173.287 0.788 25104 1246 1 2 . 1 1 62 62 CYS CA C 62 57.485 57.485 56.505 0.980 25104 1247 1 2 . 1 1 62 62 CYS CB C 62 30.392 30.392 28.895 1.497 25104 1248 1 2 . 1 1 62 62 CYS H H 62 8.501 8.501 8.938 -0.437 25104 1249 1 2 . 1 1 63 63 GLN N N 63 126.854 126.854 126.911 -0.057 25104 1250 1 2 . 1 1 63 63 GLN HA H 63 5.410 5.410 4.908 0.502 25104 1251 1 2 . 1 1 63 63 GLN C C 63 175.024 175.024 174.394 0.630 25104 1252 1 2 . 1 1 63 63 GLN CA C 63 54.691 54.691 54.406 0.286 25104 1253 1 2 . 1 1 63 63 GLN CB C 63 30.529 30.529 31.938 -1.409 25104 1254 1 2 . 1 1 63 63 GLN H H 63 9.671 9.671 8.784 0.887 25104 1255 1 2 . 1 1 64 64 GLY N N 64 110.745 110.745 110.443 0.302 25104 1256 1 2 . 1 1 64 64 GLY C C 64 174.113 174.113 171.814 2.299 25104 1257 1 2 . 1 1 64 64 GLY CA C 64 44.788 44.788 42.634 2.154 25104 1258 1 2 . 1 1 64 64 GLY H H 64 7.401 7.401 8.115 -0.714 25104 1259 1 2 . 1 1 65 65 GLY N N 65 105.815 105.815 108.402 -2.587 25104 1260 1 2 . 1 1 65 65 GLY C C 65 176.175 176.175 172.816 3.359 25104 1261 1 2 . 1 1 65 65 GLY CA C 65 46.659 46.659 44.799 1.860 25104 1262 1 2 . 1 1 65 65 GLY H H 65 9.265 9.265 7.550 1.715 25104 1263 1 2 . 1 1 66 66 ASP N N 66 123.911 123.911 123.810 0.101 25104 1264 1 2 . 1 1 66 66 ASP HA H 66 4.337 4.337 4.636 -0.299 25104 1265 1 2 . 1 1 66 66 ASP C C 66 177.105 177.105 177.166 -0.061 25104 1266 1 2 . 1 1 66 66 ASP CA C 66 51.592 51.592 54.932 -3.340 25104 1267 1 2 . 1 1 66 66 ASP CB C 66 38.926 38.926 42.198 -3.272 25104 1268 1 2 . 1 1 66 66 ASP H H 66 9.950 9.950 8.118 1.832 25104 1269 1 2 . 1 1 67 67 PHE N N 67 116.285 116.285 121.571 -5.286 25104 1270 1 2 . 1 1 67 67 PHE HA H 67 4.655 4.655 4.219 0.436 25104 1271 1 2 . 1 1 67 67 PHE C C 67 175.240 175.240 176.141 -0.901 25104 1272 1 2 . 1 1 67 67 PHE CA C 67 55.683 55.683 61.535 -5.852 25104 1273 1 2 . 1 1 67 67 PHE CB C 67 39.480 39.480 39.429 0.051 25104 1274 1 2 . 1 1 67 67 PHE H H 67 6.660 6.660 7.729 -1.069 25104 1275 1 2 . 1 1 68 68 THR N N 68 109.280 109.280 115.874 -6.594 25104 1276 1 2 . 1 1 68 68 THR HA H 68 4.692 4.692 4.197 0.495 25104 1277 1 2 . 1 1 68 68 THR C C 68 176.514 176.514 174.531 1.983 25104 1278 1 2 . 1 1 68 68 THR CA C 68 61.962 61.962 63.465 -1.503 25104 1279 1 2 . 1 1 68 68 THR CB C 68 68.922 68.922 68.163 0.759 25104 1280 1 2 . 1 1 68 68 THR H H 68 7.400 7.400 8.177 -0.777 25104 1281 1 2 . 1 1 69 69 ARG N N 69 122.125 122.125 125.256 -3.131 25104 1282 1 2 . 1 1 69 69 ARG HA H 69 4.421 4.421 3.649 0.772 25104 1283 1 2 . 1 1 69 69 ARG CA C 69 55.265 55.265 57.056 -1.791 25104 1284 1 2 . 1 1 69 69 ARG CB C 69 31.727 31.727 28.605 3.122 25104 1285 1 2 . 1 1 69 69 ARG H H 69 8.719 8.719 8.842 -0.123 25104 1286 1 2 . 1 1 70 70 HIS N N 70 111.574 111.574 115.942 -4.368 25104 1287 1 2 . 1 1 70 70 HIS HA H 70 4.451 4.451 4.287 0.164 25104 1288 1 2 . 1 1 70 70 HIS C C 70 175.306 175.306 175.682 -0.376 25104 1289 1 2 . 1 1 70 70 HIS CA C 70 57.193 57.193 57.684 -0.491 25104 1290 1 2 . 1 1 70 70 HIS CB C 70 28.587 28.587 29.279 -0.692 25104 1291 1 2 . 1 1 70 70 HIS H H 70 6.865 6.865 7.490 -0.625 25104 1292 1 2 . 1 1 71 71 ASN N N 71 112.710 112.710 118.160 -5.450 25104 1293 1 2 . 1 1 71 71 ASN HA H 71 4.673 4.673 4.494 0.179 25104 1294 1 2 . 1 1 71 71 ASN C C 71 176.752 176.752 175.832 0.920 25104 1295 1 2 . 1 1 71 71 ASN CA C 71 52.366 52.366 52.886 -0.520 25104 1296 1 2 . 1 1 71 71 ASN CB C 71 39.036 39.036 37.700 1.336 25104 1297 1 2 . 1 1 71 71 ASN H H 71 7.594 7.594 7.302 0.292 25104 1298 1 2 . 1 1 72 72 GLY N N 72 110.452 110.452 115.063 -4.611 25104 1299 1 2 . 1 1 72 72 GLY C C 72 176.669 176.669 174.331 2.338 25104 1300 1 2 . 1 1 72 72 GLY CA C 72 44.887 44.887 45.659 -0.772 25104 1301 1 2 . 1 1 72 72 GLY H H 72 9.642 9.642 8.389 1.253 25104 1302 1 2 . 1 1 73 73 THR N N 73 112.024 112.024 115.553 -3.529 25104 1303 1 2 . 1 1 73 73 THR HA H 73 4.541 4.541 4.403 0.138 25104 1304 1 2 . 1 1 73 73 THR C C 73 176.905 176.905 173.560 3.345 25104 1305 1 2 . 1 1 73 73 THR CA C 73 62.235 62.235 62.683 -0.448 25104 1306 1 2 . 1 1 73 73 THR CB C 73 70.677 70.677 71.183 -0.506 25104 1307 1 2 . 1 1 73 73 THR H H 73 7.967 7.967 7.406 0.561 25104 1308 1 2 . 1 1 74 74 GLY N N 74 113.872 113.872 110.941 2.931 25104 1309 1 2 . 1 1 74 74 GLY C C 74 176.149 176.149 174.079 2.070 25104 1310 1 2 . 1 1 74 74 GLY CA C 74 45.126 45.126 45.357 -0.231 25104 1311 1 2 . 1 1 74 74 GLY H H 74 8.711 8.711 8.159 0.552 25104 1312 1 2 . 1 1 75 75 GLY N N 75 109.032 109.032 107.393 1.639 25104 1313 1 2 . 1 1 75 75 GLY C C 75 173.012 173.012 174.426 -1.414 25104 1314 1 2 . 1 1 75 75 GLY CA C 75 43.371 43.371 44.519 -1.148 25104 1315 1 2 . 1 1 75 75 GLY H H 75 8.117 8.117 7.979 0.138 25104 1316 1 2 . 1 1 76 76 LYS N N 76 115.705 115.705 120.046 -4.341 25104 1317 1 2 . 1 1 76 76 LYS HA H 76 4.623 4.623 4.673 -0.050 25104 1318 1 2 . 1 1 76 76 LYS C C 76 173.512 173.512 176.507 -2.995 25104 1319 1 2 . 1 1 76 76 LYS CA C 76 55.975 55.975 56.394 -0.419 25104 1320 1 2 . 1 1 76 76 LYS CB C 76 34.648 34.648 32.967 1.681 25104 1321 1 2 . 1 1 76 76 LYS H H 76 7.034 7.034 7.914 -0.880 25104 1322 1 2 . 1 1 77 77 SER N N 77 114.354 114.354 114.913 -0.559 25104 1323 1 2 . 1 1 77 77 SER HA H 77 5.240 5.240 4.700 0.540 25104 1324 1 2 . 1 1 77 77 SER C C 77 176.746 176.746 176.174 0.572 25104 1325 1 2 . 1 1 77 77 SER CA C 77 57.077 57.077 56.875 0.202 25104 1326 1 2 . 1 1 77 77 SER CB C 77 69.863 69.863 66.131 3.732 25104 1327 1 2 . 1 1 77 77 SER H H 77 7.793 7.793 8.214 -0.421 25104 1328 1 2 . 1 1 78 78 ILE N N 78 111.394 111.394 115.423 -4.029 25104 1329 1 2 . 1 1 78 78 ILE HA H 78 4.208 4.208 4.386 -0.178 25104 1330 1 2 . 1 1 78 78 ILE C C 78 176.973 176.973 175.876 1.097 25104 1331 1 2 . 1 1 78 78 ILE CA C 78 63.675 63.675 63.465 0.210 25104 1332 1 2 . 1 1 78 78 ILE CB C 78 37.434 37.434 37.839 -0.405 25104 1333 1 2 . 1 1 78 78 ILE H H 78 8.584 8.584 8.976 -0.392 25104 1334 1 2 . 1 1 79 79 TYR N N 79 120.757 120.757 119.870 0.887 25104 1335 1 2 . 1 1 79 79 TYR HA H 79 4.718 4.718 4.634 0.084 25104 1336 1 2 . 1 1 79 79 TYR C C 79 176.316 176.316 175.969 0.347 25104 1337 1 2 . 1 1 79 79 TYR CA C 79 56.216 56.216 57.339 -1.123 25104 1338 1 2 . 1 1 79 79 TYR CB C 79 38.891 38.891 36.555 2.336 25104 1339 1 2 . 1 1 79 79 TYR H H 79 8.058 8.058 7.806 0.252 25104 1340 1 2 . 1 1 80 80 GLY N N 80 106.521 106.521 108.223 -1.702 25104 1341 1 2 . 1 1 80 80 GLY CA C 80 46.021 46.021 45.388 0.633 25104 1342 1 2 . 1 1 80 80 GLY H H 80 7.152 7.152 7.499 -0.347 25104 1343 1 2 . 1 1 81 81 GLU N N 81 122.638 122.638 125.529 -2.891 25104 1344 1 2 . 1 1 81 81 GLU HA H 81 4.008 4.008 4.062 -0.054 25104 1345 1 2 . 1 1 81 81 GLU C C 81 176.729 176.729 175.552 1.177 25104 1346 1 2 . 1 1 81 81 GLU CA C 81 60.602 60.602 58.671 1.931 25104 1347 1 2 . 1 1 81 81 GLU CB C 81 29.927 29.927 30.256 -0.329 25104 1348 1 2 . 1 1 81 81 GLU H H 81 8.884 8.884 8.580 0.304 25104 1349 1 2 . 1 1 82 82 LYS N N 82 112.369 112.369 113.574 -1.205 25104 1350 1 2 . 1 1 82 82 LYS HA H 82 5.577 5.577 4.540 1.037 25104 1351 1 2 . 1 1 82 82 LYS C C 82 176.495 176.495 174.998 1.497 25104 1352 1 2 . 1 1 82 82 LYS CA C 82 53.906 53.906 55.783 -1.877 25104 1353 1 2 . 1 1 82 82 LYS CB C 82 36.614 36.614 35.276 1.338 25104 1354 1 2 . 1 1 82 82 LYS H H 82 7.845 7.845 7.538 0.307 25104 1355 1 2 . 1 1 83 83 PHE N N 83 116.638 116.638 117.536 -0.898 25104 1356 1 2 . 1 1 83 83 PHE HA H 83 5.000 5.000 5.012 -0.012 25104 1357 1 2 . 1 1 83 83 PHE C C 83 174.501 174.501 173.634 0.867 25104 1358 1 2 . 1 1 83 83 PHE CA C 83 56.032 56.032 55.444 0.588 25104 1359 1 2 . 1 1 83 83 PHE CB C 83 41.258 41.258 41.502 -0.244 25104 1360 1 2 . 1 1 83 83 PHE H H 83 9.184 9.184 8.822 0.362 25104 1361 1 2 . 1 1 84 84 GLU N N 84 119.642 119.642 117.676 1.966 25104 1362 1 2 . 1 1 84 84 GLU HA H 84 3.862 3.862 4.260 -0.398 25104 1363 1 2 . 1 1 84 84 GLU C C 84 177.248 177.248 175.229 2.019 25104 1364 1 2 . 1 1 84 84 GLU CA C 84 56.452 56.452 54.590 1.862 25104 1365 1 2 . 1 1 84 84 GLU CB C 84 29.329 29.329 30.845 -1.516 25104 1366 1 2 . 1 1 84 84 GLU H H 84 9.294 9.294 8.314 0.980 25104 1367 1 2 . 1 1 85 85 ASP N N 85 118.870 118.870 120.962 -2.092 25104 1368 1 2 . 1 1 85 85 ASP HA H 85 4.285 4.285 4.426 -0.141 25104 1369 1 2 . 1 1 85 85 ASP C C 85 177.100 177.100 176.832 0.268 25104 1370 1 2 . 1 1 85 85 ASP CA C 85 54.486 54.486 55.114 -0.627 25104 1371 1 2 . 1 1 85 85 ASP CB C 85 40.954 40.954 41.116 -0.162 25104 1372 1 2 . 1 1 85 85 ASP H H 85 8.609 8.609 8.392 0.217 25104 1373 1 2 . 1 1 86 86 GLU N N 86 131.636 131.636 126.061 5.575 25104 1374 1 2 . 1 1 86 86 GLU HA H 86 3.851 3.851 4.019 -0.168 25104 1375 1 2 . 1 1 86 86 GLU C C 86 177.266 177.266 175.584 1.682 25104 1376 1 2 . 1 1 86 86 GLU CA C 86 60.354 60.354 58.874 1.480 25104 1377 1 2 . 1 1 86 86 GLU CB C 86 31.877 31.877 30.670 1.207 25104 1378 1 2 . 1 1 86 86 GLU H H 86 9.474 9.474 9.048 0.426 25104 1379 1 2 . 1 1 87 87 ASN N N 87 106.916 106.916 112.805 -5.889 25104 1380 1 2 . 1 1 87 87 ASN HA H 87 4.187 4.187 4.489 -0.302 25104 1381 1 2 . 1 1 87 87 ASN C C 87 171.751 171.751 172.957 -1.206 25104 1382 1 2 . 1 1 87 87 ASN CA C 87 52.828 52.828 52.384 0.444 25104 1383 1 2 . 1 1 87 87 ASN CB C 87 39.490 39.490 39.063 0.427 25104 1384 1 2 . 1 1 87 87 ASN H H 87 7.084 7.084 7.874 -0.790 25104 1385 1 2 . 1 1 88 88 PHE N N 88 113.116 113.116 114.960 -1.844 25104 1386 1 2 . 1 1 88 88 PHE HA H 88 5.964 5.964 4.920 1.044 25104 1387 1 2 . 1 1 88 88 PHE C C 88 178.688 178.688 175.440 3.248 25104 1388 1 2 . 1 1 88 88 PHE CA C 88 55.847 55.847 56.732 -0.885 25104 1389 1 2 . 1 1 88 88 PHE CB C 88 38.876 38.876 39.536 -0.660 25104 1390 1 2 . 1 1 88 88 PHE H H 88 8.356 8.356 8.356 0.000 25104 1391 1 2 . 1 1 89 89 ILE N N 89 119.794 119.794 120.649 -0.855 25104 1392 1 2 . 1 1 89 89 ILE HA H 89 3.726 3.726 3.850 -0.124 25104 1393 1 2 . 1 1 89 89 ILE C C 89 178.596 178.596 176.240 2.356 25104 1394 1 2 . 1 1 89 89 ILE CA C 89 64.996 64.996 64.983 0.013 25104 1395 1 2 . 1 1 89 89 ILE CB C 89 39.000 39.000 38.225 0.775 25104 1396 1 2 . 1 1 89 89 ILE H H 89 8.314 8.314 7.945 0.369 25104 1397 1 2 . 1 1 90 90 LEU N N 90 117.361 117.361 120.534 -3.173 25104 1398 1 2 . 1 1 90 90 LEU HA H 90 4.516 4.516 4.217 0.299 25104 1399 1 2 . 1 1 90 90 LEU C C 90 177.345 177.345 175.991 1.354 25104 1400 1 2 . 1 1 90 90 LEU CA C 90 54.196 54.196 54.015 0.181 25104 1401 1 2 . 1 1 90 90 LEU CB C 90 42.100 42.100 40.661 1.439 25104 1402 1 2 . 1 1 90 90 LEU H H 90 7.777 7.777 8.112 -0.335 25104 1403 1 2 . 1 1 91 91 LYS N N 91 119.096 119.096 123.429 -4.333 25104 1404 1 2 . 1 1 91 91 LYS HA H 91 4.635 4.635 4.531 0.104 25104 1405 1 2 . 1 1 91 91 LYS C C 91 177.296 177.296 176.703 0.593 25104 1406 1 2 . 1 1 91 91 LYS CA C 91 54.689 54.689 55.639 -0.950 25104 1407 1 2 . 1 1 91 91 LYS CB C 91 34.841 34.841 33.388 1.453 25104 1408 1 2 . 1 1 91 91 LYS H H 91 8.086 8.086 8.056 0.030 25104 1409 1 2 . 1 1 92 92 HIS N N 92 122.578 122.578 120.775 1.803 25104 1410 1 2 . 1 1 92 92 HIS HA H 92 4.408 4.408 4.674 -0.266 25104 1411 1 2 . 1 1 92 92 HIS C C 92 178.794 178.794 174.548 4.246 25104 1412 1 2 . 1 1 92 92 HIS CA C 92 56.886 56.886 55.821 1.065 25104 1413 1 2 . 1 1 92 92 HIS CB C 92 26.041 26.041 28.015 -1.974 25104 1414 1 2 . 1 1 92 92 HIS H H 92 10.736 10.736 9.054 1.682 25104 1415 1 2 . 1 1 93 93 THR N N 93 110.479 110.479 114.785 -4.306 25104 1416 1 2 . 1 1 93 93 THR HA H 93 4.056 4.056 4.342 -0.286 25104 1417 1 2 . 1 1 93 93 THR C C 93 176.456 176.456 173.896 2.560 25104 1418 1 2 . 1 1 93 93 THR CA C 93 63.324 63.324 62.777 0.547 25104 1419 1 2 . 1 1 93 93 THR CB C 93 69.416 69.416 69.318 0.098 25104 1420 1 2 . 1 1 93 93 THR H H 93 7.315 7.315 7.587 -0.272 25104 1421 1 2 . 1 1 94 94 GLY N N 94 107.272 107.272 108.687 -1.415 25104 1422 1 2 . 1 1 94 94 GLY C C 94 178.117 178.117 171.773 6.344 25104 1423 1 2 . 1 1 94 94 GLY H H 94 7.530 7.530 7.578 -0.048 25104 1424 1 2 . 1 1 95 95 PRO HA H 95 3.856 3.856 4.572 -0.716 25104 1425 1 2 . 1 1 95 95 PRO CA C 95 62.687 62.687 62.102 0.585 25104 1426 1 2 . 1 1 95 95 PRO CB C 95 32.137 32.137 32.923 -0.786 25104 1427 1 2 . 1 1 96 96 GLY N N 96 110.210 110.210 110.025 0.185 25104 1428 1 2 . 1 1 96 96 GLY C C 96 174.025 174.025 175.016 -0.991 25104 1429 1 2 . 1 1 96 96 GLY CA C 96 45.068 45.068 45.358 -0.290 25104 1430 1 2 . 1 1 96 96 GLY H H 96 9.305 9.305 8.547 0.758 25104 1431 1 2 . 1 1 97 97 ILE N N 97 121.517 121.517 122.056 -0.539 25104 1432 1 2 . 1 1 97 97 ILE HA H 97 4.173 4.173 4.033 0.140 25104 1433 1 2 . 1 1 97 97 ILE C C 97 174.196 174.196 174.762 -0.566 25104 1434 1 2 . 1 1 97 97 ILE CA C 97 59.398 59.398 60.538 -1.140 25104 1435 1 2 . 1 1 97 97 ILE CB C 97 37.922 37.922 35.830 2.092 25104 1436 1 2 . 1 1 97 97 ILE H H 97 6.826 6.826 7.649 -0.823 25104 1437 1 2 . 1 1 98 98 LEU N N 98 128.948 128.948 131.301 -2.353 25104 1438 1 2 . 1 1 98 98 LEU HA H 98 5.010 5.010 5.103 -0.093 25104 1439 1 2 . 1 1 98 98 LEU C C 98 175.316 175.316 174.406 0.910 25104 1440 1 2 . 1 1 98 98 LEU CA C 98 53.350 53.350 53.209 0.141 25104 1441 1 2 . 1 1 98 98 LEU CB C 98 43.813 43.813 42.779 1.034 25104 1442 1 2 . 1 1 98 98 LEU H H 98 7.907 7.907 8.265 -0.358 25104 1443 1 2 . 1 1 99 99 SER N N 99 118.834 118.834 120.224 -1.390 25104 1444 1 2 . 1 1 99 99 SER HA H 99 5.346 5.346 4.772 0.574 25104 1445 1 2 . 1 1 99 99 SER C C 99 175.732 175.732 172.801 2.931 25104 1446 1 2 . 1 1 99 99 SER CA C 99 55.011 55.011 56.509 -1.498 25104 1447 1 2 . 1 1 99 99 SER CB C 99 65.370 65.370 65.179 0.191 25104 1448 1 2 . 1 1 99 99 SER H H 99 8.307 8.307 8.392 -0.085 25104 1449 1 2 . 1 1 100 100 MET N N 100 123.079 123.079 124.471 -1.392 25104 1450 1 2 . 1 1 100 100 MET HA H 100 5.338 5.338 4.696 0.642 25104 1451 1 2 . 1 1 100 100 MET C C 100 178.920 178.920 176.147 2.773 25104 1452 1 2 . 1 1 100 100 MET CA C 100 53.853 53.853 56.328 -2.475 25104 1453 1 2 . 1 1 100 100 MET H H 100 8.563 8.563 9.395 -0.832 25104 1454 1 2 . 1 1 101 101 ALA N N 101 126.225 126.225 125.107 1.118 25104 1455 1 2 . 1 1 101 101 ALA HA H 101 4.362 4.362 4.768 -0.406 25104 1456 1 2 . 1 1 101 101 ALA C C 101 176.471 176.471 175.832 0.639 25104 1457 1 2 . 1 1 101 101 ALA CA C 101 51.743 51.743 52.745 -1.002 25104 1458 1 2 . 1 1 101 101 ALA CB C 101 19.619 19.619 19.936 -0.317 25104 1459 1 2 . 1 1 101 101 ALA H H 101 8.114 8.114 8.405 -0.291 25104 1460 1 2 . 1 1 102 102 ASN N N 102 113.398 113.398 115.386 -1.988 25104 1461 1 2 . 1 1 102 102 ASN HA H 102 4.647 4.647 4.835 -0.188 25104 1462 1 2 . 1 1 102 102 ASN C C 102 174.740 174.740 174.456 0.284 25104 1463 1 2 . 1 1 102 102 ASN CA C 102 54.102 54.102 52.781 1.321 25104 1464 1 2 . 1 1 102 102 ASN CB C 102 40.597 40.597 39.669 0.928 25104 1465 1 2 . 1 1 102 102 ASN H H 102 8.062 8.062 8.412 -0.350 25104 1466 1 2 . 1 1 103 103 ALA N N 103 123.487 123.487 120.962 2.525 25104 1467 1 2 . 1 1 103 103 ALA HA H 103 4.868 4.868 4.632 0.236 25104 1468 1 2 . 1 1 103 103 ALA C C 103 177.823 177.823 176.441 1.382 25104 1469 1 2 . 1 1 103 103 ALA CA C 103 50.380 50.380 52.216 -1.836 25104 1470 1 2 . 1 1 103 103 ALA CB C 103 19.295 19.295 18.992 0.303 25104 1471 1 2 . 1 1 103 103 ALA H H 103 8.822 8.822 8.615 0.207 25104 1472 1 2 . 1 1 104 104 GLY N N 104 109.271 109.271 107.583 1.688 25104 1473 1 2 . 1 1 104 104 GLY CA C 104 43.559 43.559 44.877 -1.318 25104 1474 1 2 . 1 1 104 104 GLY H H 104 8.181 8.181 7.640 0.541 25104 1475 1 2 . 1 1 105 105 PRO HA H 105 4.385 4.385 4.819 -0.434 25104 1476 1 2 . 1 1 105 105 PRO C C 105 177.209 177.209 177.002 0.207 25104 1477 1 2 . 1 1 105 105 PRO CA C 105 63.976 63.976 62.526 1.450 25104 1478 1 2 . 1 1 105 105 PRO CB C 105 32.136 32.136 32.064 0.072 25104 1479 1 2 . 1 1 106 106 ASN N N 106 119.146 119.146 117.900 1.246 25104 1480 1 2 . 1 1 106 106 ASN HA H 106 4.052 4.052 4.463 -0.411 25104 1481 1 2 . 1 1 106 106 ASN C C 106 175.857 175.857 174.597 1.260 25104 1482 1 2 . 1 1 106 106 ASN CA C 106 54.279 54.279 54.687 -0.408 25104 1483 1 2 . 1 1 106 106 ASN CB C 106 37.248 37.248 37.946 -0.698 25104 1484 1 2 . 1 1 106 106 ASN H H 106 8.912 8.912 8.956 -0.044 25104 1485 1 2 . 1 1 107 107 THR N N 107 110.101 110.101 110.487 -0.386 25104 1486 1 2 . 1 1 107 107 THR HA H 107 4.493 4.493 4.281 0.212 25104 1487 1 2 . 1 1 107 107 THR C C 107 174.713 174.713 173.953 0.760 25104 1488 1 2 . 1 1 107 107 THR CA C 107 60.294 60.294 63.057 -2.763 25104 1489 1 2 . 1 1 107 107 THR CB C 107 69.030 69.030 69.526 -0.496 25104 1490 1 2 . 1 1 107 107 THR H H 107 10.191 10.191 7.466 2.725 25104 1491 1 2 . 1 1 108 108 ASN N N 108 120.592 120.592 119.653 0.939 25104 1492 1 2 . 1 1 108 108 ASN HA H 108 4.210 4.210 4.312 -0.102 25104 1493 1 2 . 1 1 108 108 ASN C C 108 175.078 175.078 176.020 -0.942 25104 1494 1 2 . 1 1 108 108 ASN CA C 108 55.287 55.287 54.011 1.276 25104 1495 1 2 . 1 1 108 108 ASN CB C 108 39.036 39.036 38.505 0.531 25104 1496 1 2 . 1 1 108 108 ASN H H 108 7.410 7.410 7.285 0.125 25104 1497 1 2 . 1 1 109 109 GLY N N 109 110.835 110.835 109.400 1.435 25104 1498 1 2 . 1 1 109 109 GLY C C 109 172.087 172.087 173.307 -1.220 25104 1499 1 2 . 1 1 109 109 GLY CA C 109 45.940 45.940 45.375 0.565 25104 1500 1 2 . 1 1 109 109 GLY H H 109 9.192 9.192 8.083 1.109 25104 1501 1 2 . 1 1 110 110 SER N N 110 117.149 117.149 115.917 1.232 25104 1502 1 2 . 1 1 110 110 SER HA H 110 4.751 4.751 4.831 -0.080 25104 1503 1 2 . 1 1 110 110 SER C C 110 177.075 177.075 173.812 3.263 25104 1504 1 2 . 1 1 110 110 SER CA C 110 57.526 57.526 56.691 0.834 25104 1505 1 2 . 1 1 110 110 SER CB C 110 66.180 66.180 65.435 0.745 25104 1506 1 2 . 1 1 110 110 SER H H 110 8.793 8.793 7.354 1.439 25104 1507 1 2 . 1 1 111 111 GLN N N 111 124.594 124.594 124.161 0.433 25104 1508 1 2 . 1 1 111 111 GLN HA H 111 4.225 4.225 3.934 0.291 25104 1509 1 2 . 1 1 111 111 GLN C C 111 179.174 179.174 174.444 4.730 25104 1510 1 2 . 1 1 111 111 GLN CA C 111 58.144 58.144 57.584 0.560 25104 1511 1 2 . 1 1 111 111 GLN CB C 111 31.558 31.558 29.091 2.467 25104 1512 1 2 . 1 1 111 111 GLN H H 111 8.438 8.438 8.444 -0.006 25104 1513 1 2 . 1 1 112 112 PHE N N 112 118.008 118.008 114.001 4.007 25104 1514 1 2 . 1 1 112 112 PHE HA H 112 5.806 5.806 5.264 0.542 25104 1515 1 2 . 1 1 112 112 PHE C C 112 172.840 172.840 173.353 -0.513 25104 1516 1 2 . 1 1 112 112 PHE CA C 112 55.584 55.584 55.640 -0.056 25104 1517 1 2 . 1 1 112 112 PHE CB C 112 43.323 43.323 42.337 0.986 25104 1518 1 2 . 1 1 112 112 PHE H H 112 8.120 8.120 8.044 0.076 25104 1519 1 2 . 1 1 113 113 PHE N N 113 116.406 116.406 114.501 1.905 25104 1520 1 2 . 1 1 113 113 PHE HA H 113 5.739 5.739 5.302 0.437 25104 1521 1 2 . 1 1 113 113 PHE C C 113 175.349 175.349 173.411 1.938 25104 1522 1 2 . 1 1 113 113 PHE CA C 113 54.684 54.684 55.615 -0.931 25104 1523 1 2 . 1 1 113 113 PHE CB C 113 42.825 42.825 42.555 0.270 25104 1524 1 2 . 1 1 113 113 PHE H H 113 9.832 9.832 8.723 1.109 25104 1525 1 2 . 1 1 114 114 ILE N N 114 118.683 118.683 120.619 -1.936 25104 1526 1 2 . 1 1 114 114 ILE HA H 114 4.842 4.842 5.104 -0.262 25104 1527 1 2 . 1 1 114 114 ILE C C 114 178.414 178.414 175.563 2.851 25104 1528 1 2 . 1 1 114 114 ILE CA C 114 60.265 60.265 59.740 0.525 25104 1529 1 2 . 1 1 114 114 ILE CB C 114 40.466 40.466 40.283 0.183 25104 1530 1 2 . 1 1 114 114 ILE H H 114 9.156 9.156 8.676 0.480 25104 1531 1 2 . 1 1 115 115 CYS N N 115 125.524 125.524 126.865 -1.341 25104 1532 1 2 . 1 1 115 115 CYS HA H 115 4.808 4.808 4.978 -0.170 25104 1533 1 2 . 1 1 115 115 CYS C C 115 177.658 177.658 176.264 1.394 25104 1534 1 2 . 1 1 115 115 CYS CA C 115 60.803 60.803 56.924 3.879 25104 1535 1 2 . 1 1 115 115 CYS CB C 115 28.723 28.723 29.165 -0.442 25104 1536 1 2 . 1 1 115 115 CYS H H 115 9.616 9.616 8.795 0.821 25104 1537 1 2 . 1 1 116 116 THR N N 116 115.801 115.801 118.369 -2.568 25104 1538 1 2 . 1 1 116 116 THR HA H 116 4.380 4.380 4.125 0.255 25104 1539 1 2 . 1 1 116 116 THR C C 116 178.496 178.496 174.697 3.799 25104 1540 1 2 . 1 1 116 116 THR CA C 116 60.844 60.844 63.761 -2.917 25104 1541 1 2 . 1 1 116 116 THR CB C 116 66.730 66.730 68.767 -2.037 25104 1542 1 2 . 1 1 116 116 THR H H 116 8.990 8.990 8.609 0.381 25104 1543 1 2 . 1 1 117 117 ALA N N 117 122.356 122.356 124.855 -2.499 25104 1544 1 2 . 1 1 117 117 ALA HA H 117 4.420 4.420 4.588 -0.168 25104 1545 1 2 . 1 1 117 117 ALA C C 117 176.114 176.114 175.733 0.381 25104 1546 1 2 . 1 1 117 117 ALA CA C 117 50.668 50.668 50.570 0.098 25104 1547 1 2 . 1 1 117 117 ALA CB C 117 22.795 22.795 20.655 2.140 25104 1548 1 2 . 1 1 117 117 ALA H H 117 7.641 7.641 7.431 0.210 25104 1549 1 2 . 1 1 118 118 LYS N N 118 119.855 119.855 119.730 0.125 25104 1550 1 2 . 1 1 118 118 LYS HA H 118 3.840 3.840 4.406 -0.566 25104 1551 1 2 . 1 1 118 118 LYS C C 118 177.211 177.211 176.135 1.076 25104 1552 1 2 . 1 1 118 118 LYS CA C 118 57.913 57.913 55.776 2.137 25104 1553 1 2 . 1 1 118 118 LYS CB C 118 32.708 32.708 30.591 2.117 25104 1554 1 2 . 1 1 118 118 LYS H H 118 8.693 8.693 8.551 0.142 25104 1555 1 2 . 1 1 119 119 THR N N 119 119.004 119.004 114.904 4.100 25104 1556 1 2 . 1 1 119 119 THR HA H 119 3.730 3.730 3.215 0.515 25104 1557 1 2 . 1 1 119 119 THR C C 119 177.928 177.928 174.834 3.094 25104 1558 1 2 . 1 1 119 119 THR CA C 119 57.301 57.301 60.650 -3.349 25104 1559 1 2 . 1 1 119 119 THR CB C 119 68.717 68.717 67.670 1.047 25104 1560 1 2 . 1 1 119 119 THR H H 119 7.373 7.373 8.014 -0.641 25104 1561 1 2 . 1 1 120 120 GLU N N 120 124.713 124.713 124.454 0.259 25104 1562 1 2 . 1 1 120 120 GLU HA H 120 4.162 4.162 4.261 -0.099 25104 1563 1 2 . 1 1 120 120 GLU C C 120 178.190 178.190 177.380 0.810 25104 1564 1 2 . 1 1 120 120 GLU CA C 120 59.334 59.334 57.927 1.407 25104 1565 1 2 . 1 1 120 120 GLU CB C 120 29.322 29.322 29.136 0.186 25104 1566 1 2 . 1 1 120 120 GLU H H 120 9.139 9.139 7.747 1.392 25104 1567 1 2 . 1 1 121 121 TRP N N 121 117.782 117.782 117.607 0.175 25104 1568 1 2 . 1 1 121 121 TRP HA H 121 4.716 4.716 4.619 0.097 25104 1569 1 2 . 1 1 121 121 TRP C C 121 177.244 177.244 176.220 1.024 25104 1570 1 2 . 1 1 121 121 TRP CA C 121 59.748 59.748 57.551 2.196 25104 1571 1 2 . 1 1 121 121 TRP CB C 121 26.947 26.947 28.571 -1.624 25104 1572 1 2 . 1 1 121 121 TRP H H 121 7.297 7.297 7.758 -0.461 25104 1573 1 2 . 1 1 122 122 LEU N N 122 119.806 119.806 120.298 -0.492 25104 1574 1 2 . 1 1 122 122 LEU HA H 122 4.315 4.315 4.324 -0.009 25104 1575 1 2 . 1 1 122 122 LEU C C 122 173.304 173.304 176.308 -3.004 25104 1576 1 2 . 1 1 122 122 LEU CA C 122 54.543 54.543 54.103 0.440 25104 1577 1 2 . 1 1 122 122 LEU CB C 122 39.075 39.075 41.073 -1.998 25104 1578 1 2 . 1 1 122 122 LEU H H 122 7.037 7.037 7.030 0.007 25104 1579 1 2 . 1 1 123 123 ASP N N 123 122.205 122.205 121.250 0.955 25104 1580 1 2 . 1 1 123 123 ASP HA H 123 5.222 5.222 4.699 0.523 25104 1581 1 2 . 1 1 123 123 ASP C C 123 179.276 179.276 177.224 2.052 25104 1582 1 2 . 1 1 123 123 ASP CA C 123 55.889 55.889 55.669 0.220 25104 1583 1 2 . 1 1 123 123 ASP CB C 123 39.517 39.517 40.683 -1.166 25104 1584 1 2 . 1 1 123 123 ASP H H 123 7.643 7.643 7.406 0.237 25104 1585 1 2 . 1 1 124 124 GLY N N 124 111.205 111.205 111.790 -0.585 25104 1586 1 2 . 1 1 124 124 GLY C C 124 173.148 173.148 174.117 -0.969 25104 1587 1 2 . 1 1 124 124 GLY CA C 124 45.114 45.114 44.715 0.399 25104 1588 1 2 . 1 1 124 124 GLY H H 124 9.550 9.550 8.623 0.927 25104 1589 1 2 . 1 1 125 125 LYS N N 125 115.408 115.408 121.199 -5.791 25104 1590 1 2 . 1 1 125 125 LYS HA H 125 4.173 4.173 4.459 -0.286 25104 1591 1 2 . 1 1 125 125 LYS C C 125 176.351 176.351 175.950 0.401 25104 1592 1 2 . 1 1 125 125 LYS CA C 125 56.341 56.341 55.755 0.586 25104 1593 1 2 . 1 1 125 125 LYS CB C 125 35.504 35.504 34.131 1.373 25104 1594 1 2 . 1 1 125 125 LYS H H 125 7.765 7.765 7.615 0.150 25104 1595 1 2 . 1 1 126 126 HIS N N 126 119.526 119.526 119.736 -0.210 25104 1596 1 2 . 1 1 126 126 HIS HA H 126 4.863 4.863 4.596 0.268 25104 1597 1 2 . 1 1 126 126 HIS C C 126 174.784 174.784 175.726 -0.942 25104 1598 1 2 . 1 1 126 126 HIS CA C 126 54.923 54.923 56.796 -1.873 25104 1599 1 2 . 1 1 126 126 HIS CB C 126 31.675 31.675 30.777 0.898 25104 1600 1 2 . 1 1 126 126 HIS H H 126 7.600 7.600 8.680 -1.080 25104 1601 1 2 . 1 1 127 127 VAL N N 127 125.009 125.009 127.111 -2.102 25104 1602 1 2 . 1 1 127 127 VAL HA H 127 4.307 4.307 4.025 0.282 25104 1603 1 2 . 1 1 127 127 VAL C C 127 176.442 176.442 175.096 1.346 25104 1604 1 2 . 1 1 127 127 VAL CA C 127 63.893 63.893 63.434 0.459 25104 1605 1 2 . 1 1 127 127 VAL CB C 127 33.553 33.553 32.836 0.717 25104 1606 1 2 . 1 1 127 127 VAL H H 127 8.523 8.523 8.338 0.185 25104 1607 1 2 . 1 1 128 128 VAL N N 128 133.065 133.065 126.615 6.450 25104 1608 1 2 . 1 1 128 128 VAL HA H 128 4.176 4.176 3.551 0.625 25104 1609 1 2 . 1 1 128 128 VAL C C 128 176.113 176.113 175.487 0.626 25104 1610 1 2 . 1 1 128 128 VAL CA C 128 63.172 63.172 64.356 -1.184 25104 1611 1 2 . 1 1 128 128 VAL CB C 128 31.612 31.612 31.560 0.052 25104 1612 1 2 . 1 1 128 128 VAL H H 128 9.474 9.474 7.699 1.775 25104 1613 1 2 . 1 1 129 129 PHE N N 129 117.892 117.892 117.689 0.203 25104 1614 1 2 . 1 1 129 129 PHE HA H 129 5.308 5.308 4.998 0.310 25104 1615 1 2 . 1 1 129 129 PHE C C 129 173.725 173.725 174.012 -0.287 25104 1616 1 2 . 1 1 129 129 PHE CA C 129 55.969 55.969 57.037 -1.068 25104 1617 1 2 . 1 1 129 129 PHE CB C 129 42.581 42.581 41.170 1.411 25104 1618 1 2 . 1 1 129 129 PHE H H 129 8.138 8.138 7.957 0.181 25104 1619 1 2 . 1 1 130 130 GLY N N 130 110.747 110.747 106.344 4.403 25104 1620 1 2 . 1 1 130 130 GLY C C 130 171.591 171.591 171.589 0.002 25104 1621 1 2 . 1 1 130 130 GLY CA C 130 46.505 46.505 43.798 2.707 25104 1622 1 2 . 1 1 130 130 GLY H H 130 7.356 7.356 7.386 -0.030 25104 1623 1 2 . 1 1 131 131 LYS N N 131 115.453 115.453 120.939 -5.486 25104 1624 1 2 . 1 1 131 131 LYS HA H 131 5.246 5.246 5.171 0.075 25104 1625 1 2 . 1 1 131 131 LYS C C 131 176.109 176.109 175.846 0.263 25104 1626 1 2 . 1 1 131 131 LYS CA C 131 54.887 54.887 54.667 0.220 25104 1627 1 2 . 1 1 131 131 LYS CB C 131 36.077 36.077 37.278 -1.201 25104 1628 1 2 . 1 1 131 131 LYS H H 131 8.390 8.390 7.902 0.488 25104 1629 1 2 . 1 1 132 132 VAL N N 132 124.311 124.311 128.146 -3.835 25104 1630 1 2 . 1 1 132 132 VAL HA H 132 3.955 3.955 3.808 0.147 25104 1631 1 2 . 1 1 132 132 VAL C C 132 176.489 176.489 176.335 0.154 25104 1632 1 2 . 1 1 132 132 VAL CA C 132 64.284 64.284 63.964 0.320 25104 1633 1 2 . 1 1 132 132 VAL CB C 132 32.709 32.709 30.675 2.034 25104 1634 1 2 . 1 1 132 132 VAL H H 132 9.071 9.071 8.695 0.376 25104 1635 1 2 . 1 1 133 133 LYS N N 133 131.670 131.670 127.295 4.375 25104 1636 1 2 . 1 1 133 133 LYS HA H 133 4.483 4.483 4.287 0.196 25104 1637 1 2 . 1 1 133 133 LYS C C 133 176.283 176.283 176.832 -0.549 25104 1638 1 2 . 1 1 133 133 LYS CA C 133 56.978 56.978 57.246 -0.268 25104 1639 1 2 . 1 1 133 133 LYS CB C 133 34.028 34.028 33.065 0.963 25104 1640 1 2 . 1 1 133 133 LYS H H 133 9.494 9.494 8.222 1.272 25104 1641 1 2 . 1 1 134 134 GLU N N 134 118.417 118.417 119.563 -1.146 25104 1642 1 2 . 1 1 134 134 GLU HA H 134 4.639 4.639 4.468 0.171 25104 1643 1 2 . 1 1 134 134 GLU C C 134 175.925 175.925 175.450 0.475 25104 1644 1 2 . 1 1 134 134 GLU CA C 134 55.235 55.235 55.894 -0.659 25104 1645 1 2 . 1 1 134 134 GLU CB C 134 32.909 32.909 32.091 0.818 25104 1646 1 2 . 1 1 134 134 GLU H H 134 7.571 7.571 7.522 0.049 25104 1647 1 2 . 1 1 135 135 GLY N N 135 108.109 108.109 109.514 -1.405 25104 1648 1 2 . 1 1 135 135 GLY C C 135 178.060 178.060 175.504 2.556 25104 1649 1 2 . 1 1 135 135 GLY CA C 135 46.195 46.195 45.370 0.825 25104 1650 1 2 . 1 1 135 135 GLY H H 135 8.695 8.695 8.752 -0.057 25104 1651 1 2 . 1 1 136 136 MET N N 136 122.582 122.582 119.681 2.901 25104 1652 1 2 . 1 1 136 136 MET HA H 136 4.496 4.496 4.055 0.441 25104 1653 1 2 . 1 1 136 136 MET C C 136 178.649 178.649 176.825 1.824 25104 1654 1 2 . 1 1 136 136 MET CA C 136 56.829 56.829 57.240 -0.411 25104 1655 1 2 . 1 1 136 136 MET CB C 136 30.215 30.215 32.458 -2.243 25104 1656 1 2 . 1 1 136 136 MET H H 136 8.854 8.854 8.377 0.477 25104 1657 1 2 . 1 1 137 137 ASN N N 137 114.457 114.457 117.185 -2.728 25104 1658 1 2 . 1 1 137 137 ASN HA H 137 4.504 4.504 4.656 -0.152 25104 1659 1 2 . 1 1 137 137 ASN C C 137 178.441 178.441 177.574 0.867 25104 1660 1 2 . 1 1 137 137 ASN CA C 137 55.819 55.819 55.657 0.162 25104 1661 1 2 . 1 1 137 137 ASN CB C 137 36.016 36.016 38.090 -2.074 25104 1662 1 2 . 1 1 137 137 ASN H H 137 8.932 8.932 8.596 0.336 25104 1663 1 2 . 1 1 138 138 ILE N N 138 124.190 124.190 119.917 4.273 25104 1664 1 2 . 1 1 138 138 ILE HA H 138 3.800 3.800 3.891 -0.091 25104 1665 1 2 . 1 1 138 138 ILE C C 138 178.595 178.595 177.486 1.109 25104 1666 1 2 . 1 1 138 138 ILE CA C 138 61.581 61.581 62.418 -0.837 25104 1667 1 2 . 1 1 138 138 ILE CB C 138 34.468 34.468 36.779 -2.311 25104 1668 1 2 . 1 1 138 138 ILE H H 138 7.686 7.686 7.171 0.515 25104 1669 1 2 . 1 1 139 139 VAL N N 139 121.912 121.912 121.050 0.862 25104 1670 1 2 . 1 1 139 139 VAL HA H 139 3.879 3.879 3.468 0.411 25104 1671 1 2 . 1 1 139 139 VAL C C 139 179.051 179.051 178.245 0.806 25104 1672 1 2 . 1 1 139 139 VAL CA C 139 66.206 66.206 67.335 -1.129 25104 1673 1 2 . 1 1 139 139 VAL CB C 139 31.195 31.195 31.360 -0.166 25104 1674 1 2 . 1 1 139 139 VAL H H 139 7.286 7.286 7.696 -0.410 25104 1675 1 2 . 1 1 140 140 GLU N N 140 117.357 117.357 119.082 -1.725 25104 1676 1 2 . 1 1 140 140 GLU HA H 140 4.095 4.095 3.988 0.107 25104 1677 1 2 . 1 1 140 140 GLU C C 140 180.486 180.486 178.898 1.588 25104 1678 1 2 . 1 1 140 140 GLU CA C 140 59.336 59.336 59.307 0.029 25104 1679 1 2 . 1 1 140 140 GLU CB C 140 30.199 30.199 29.360 0.839 25104 1680 1 2 . 1 1 140 140 GLU H H 140 8.309 8.309 8.087 0.222 25104 1681 1 2 . 1 1 141 141 ALA N N 141 121.133 121.133 121.316 -0.183 25104 1682 1 2 . 1 1 141 141 ALA HA H 141 4.118 4.118 4.030 0.088 25104 1683 1 2 . 1 1 141 141 ALA C C 141 181.524 181.524 178.926 2.598 25104 1684 1 2 . 1 1 141 141 ALA CA C 141 54.771 54.771 54.788 -0.018 25104 1685 1 2 . 1 1 141 141 ALA CB C 141 18.207 18.207 18.519 -0.312 25104 1686 1 2 . 1 1 141 141 ALA H H 141 7.539 7.539 7.689 -0.150 25104 1687 1 2 . 1 1 142 142 MET N N 142 117.513 117.513 115.097 2.416 25104 1688 1 2 . 1 1 142 142 MET HA H 142 3.993 3.993 4.558 -0.565 25104 1689 1 2 . 1 1 142 142 MET C C 142 178.862 178.862 178.375 0.487 25104 1690 1 2 . 1 1 142 142 MET CA C 142 59.678 59.678 58.311 1.367 25104 1691 1 2 . 1 1 142 142 MET CB C 142 33.723 33.723 32.856 0.867 25104 1692 1 2 . 1 1 142 142 MET H H 142 8.284 8.284 7.942 0.342 25104 1693 1 2 . 1 1 143 143 GLU N N 143 116.365 116.365 120.979 -4.614 25104 1694 1 2 . 1 1 143 143 GLU HA H 143 3.772 3.772 4.083 -0.311 25104 1695 1 2 . 1 1 143 143 GLU C C 143 179.051 179.051 178.792 0.259 25104 1696 1 2 . 1 1 143 143 GLU CA C 143 59.345 59.345 59.128 0.217 25104 1697 1 2 . 1 1 143 143 GLU CB C 143 30.470 30.470 29.386 1.084 25104 1698 1 2 . 1 1 143 143 GLU H H 143 7.853 7.853 8.044 -0.191 25104 1699 1 2 . 1 1 144 144 ARG N N 144 114.753 114.753 117.429 -2.676 25104 1700 1 2 . 1 1 144 144 ARG HA H 144 3.978 3.978 4.071 -0.093 25104 1701 1 2 . 1 1 144 144 ARG C C 144 178.222 178.222 177.388 0.834 25104 1702 1 2 . 1 1 144 144 ARG CA C 144 57.669 57.669 57.952 -0.283 25104 1703 1 2 . 1 1 144 144 ARG CB C 144 29.523 29.523 29.902 -0.379 25104 1704 1 2 . 1 1 144 144 ARG H H 144 7.082 7.082 7.356 -0.274 25104 1705 1 2 . 1 1 145 145 PHE N N 145 115.388 115.388 116.751 -1.363 25104 1706 1 2 . 1 1 145 145 PHE HA H 145 4.851 4.851 4.573 0.278 25104 1707 1 2 . 1 1 145 145 PHE C C 145 176.868 176.868 175.348 1.520 25104 1708 1 2 . 1 1 145 145 PHE CA C 145 57.717 57.717 58.251 -0.534 25104 1709 1 2 . 1 1 145 145 PHE CB C 145 38.998 38.998 39.093 -0.095 25104 1710 1 2 . 1 1 145 145 PHE H H 145 7.651 7.651 7.385 0.266 25104 1711 1 2 . 1 1 146 146 GLY N N 146 104.842 104.842 106.849 -2.007 25104 1712 1 2 . 1 1 146 146 GLY C C 146 172.946 172.946 173.478 -0.532 25104 1713 1 2 . 1 1 146 146 GLY CA C 146 44.065 44.065 44.462 -0.397 25104 1714 1 2 . 1 1 146 146 GLY H H 146 7.551 7.551 7.576 -0.025 25104 1715 1 2 . 1 1 147 147 SER N N 147 110.079 110.079 113.265 -3.186 25104 1716 1 2 . 1 1 147 147 SER HA H 147 4.813 4.813 4.840 -0.027 25104 1717 1 2 . 1 1 147 147 SER C C 147 176.384 176.384 175.460 0.924 25104 1718 1 2 . 1 1 147 147 SER CA C 147 58.165 58.165 57.180 0.985 25104 1719 1 2 . 1 1 147 147 SER CB C 147 65.804 65.804 66.785 -0.981 25104 1720 1 2 . 1 1 147 147 SER H H 147 8.229 8.229 8.099 0.130 25104 1721 1 2 . 1 1 148 148 ARG N N 148 120.299 120.299 121.884 -1.585 25104 1722 1 2 . 1 1 148 148 ARG HA H 148 4.221 4.221 4.098 0.123 25104 1723 1 2 . 1 1 148 148 ARG C C 148 177.709 177.709 176.667 1.042 25104 1724 1 2 . 1 1 148 148 ARG CA C 148 59.810 59.810 58.731 1.079 25104 1725 1 2 . 1 1 148 148 ARG CB C 148 29.896 29.896 29.980 -0.084 25104 1726 1 2 . 1 1 148 148 ARG H H 148 8.850 8.850 8.822 0.028 25104 1727 1 2 . 1 1 149 149 ASN N N 149 111.689 111.689 113.558 -1.869 25104 1728 1 2 . 1 1 149 149 ASN HA H 149 4.901 4.901 4.651 0.250 25104 1729 1 2 . 1 1 149 149 ASN C C 149 177.708 177.708 176.142 1.566 25104 1730 1 2 . 1 1 149 149 ASN CA C 149 52.305 52.305 53.221 -0.916 25104 1731 1 2 . 1 1 149 149 ASN CB C 149 38.477 38.477 37.781 0.696 25104 1732 1 2 . 1 1 149 149 ASN H H 149 7.891 7.891 8.117 -0.226 25104 1733 1 2 . 1 1 150 150 GLY N N 150 110.138 110.138 108.021 2.117 25104 1734 1 2 . 1 1 150 150 GLY C C 150 174.368 174.368 173.523 0.845 25104 1735 1 2 . 1 1 150 150 GLY CA C 150 45.257 45.257 44.722 0.535 25104 1736 1 2 . 1 1 150 150 GLY H H 150 8.087 8.087 8.126 -0.039 25104 1737 1 2 . 1 1 151 151 LYS N N 151 119.859 119.859 124.169 -4.310 25104 1738 1 2 . 1 1 151 151 LYS HA H 151 4.466 4.466 4.401 0.065 25104 1739 1 2 . 1 1 151 151 LYS C C 151 179.533 179.533 176.327 3.206 25104 1740 1 2 . 1 1 151 151 LYS CA C 151 57.088 57.088 56.427 0.661 25104 1741 1 2 . 1 1 151 151 LYS CB C 151 32.435 32.435 33.490 -1.055 25104 1742 1 2 . 1 1 151 151 LYS H H 151 7.534 7.534 7.858 -0.324 25104 1743 1 2 . 1 1 152 152 THR N N 152 116.442 116.442 118.697 -2.255 25104 1744 1 2 . 1 1 152 152 THR HA H 152 5.579 5.579 4.498 1.081 25104 1745 1 2 . 1 1 152 152 THR C C 152 176.969 176.969 174.426 2.543 25104 1746 1 2 . 1 1 152 152 THR CA C 152 60.097 60.097 61.536 -1.440 25104 1747 1 2 . 1 1 152 152 THR CB C 152 71.324 71.324 69.318 2.006 25104 1748 1 2 . 1 1 152 152 THR H H 152 8.837 8.837 8.357 0.480 25104 1749 1 2 . 1 1 153 153 SER N N 153 117.113 117.113 120.813 -3.700 25104 1750 1 2 . 1 1 153 153 SER HA H 153 4.574 4.574 4.355 0.219 25104 1751 1 2 . 1 1 153 153 SER C C 153 175.737 175.737 174.968 0.769 25104 1752 1 2 . 1 1 153 153 SER CA C 153 58.222 58.222 60.704 -2.482 25104 1753 1 2 . 1 1 153 153 SER CB C 153 63.922 63.922 63.795 0.127 25104 1754 1 2 . 1 1 153 153 SER H H 153 9.424 9.424 8.819 0.605 25104 1755 1 2 . 1 1 154 154 LYS N N 154 119.347 119.347 119.940 -0.593 25104 1756 1 2 . 1 1 154 154 LYS HA H 154 4.594 4.594 4.388 0.206 25104 1757 1 2 . 1 1 154 154 LYS C C 154 175.436 175.436 175.748 -0.312 25104 1758 1 2 . 1 1 154 154 LYS CA C 154 54.578 54.578 54.166 0.412 25104 1759 1 2 . 1 1 154 154 LYS CB C 154 38.443 38.443 33.574 4.869 25104 1760 1 2 . 1 1 154 154 LYS H H 154 7.566 7.566 7.481 0.085 25104 1761 1 2 . 1 1 155 155 LYS N N 155 121.869 121.869 124.911 -3.042 25104 1762 1 2 . 1 1 155 155 LYS HA H 155 4.348 4.348 4.501 -0.153 25104 1763 1 2 . 1 1 155 155 LYS C C 155 176.946 176.946 175.519 1.427 25104 1764 1 2 . 1 1 155 155 LYS CA C 155 56.325 56.325 55.011 1.313 25104 1765 1 2 . 1 1 155 155 LYS CB C 155 32.136 32.136 31.644 0.492 25104 1766 1 2 . 1 1 155 155 LYS H H 155 8.820 8.820 8.322 0.498 25104 1767 1 2 . 1 1 156 156 ILE N N 156 134.145 134.145 128.442 5.703 25104 1768 1 2 . 1 1 156 156 ILE HA H 156 5.134 5.134 5.087 0.047 25104 1769 1 2 . 1 1 156 156 ILE C C 156 177.451 177.451 175.649 1.802 25104 1770 1 2 . 1 1 156 156 ILE CA C 156 59.538 59.538 60.742 -1.204 25104 1771 1 2 . 1 1 156 156 ILE CB C 156 37.167 37.167 38.524 -1.357 25104 1772 1 2 . 1 1 156 156 ILE H H 156 9.609 9.609 7.994 1.615 25104 1773 1 2 . 1 1 157 157 THR N N 157 117.447 117.447 117.439 0.008 25104 1774 1 2 . 1 1 157 157 THR HA H 157 5.311 5.311 5.346 -0.035 25104 1775 1 2 . 1 1 157 157 THR C C 157 174.572 174.572 174.224 0.348 25104 1776 1 2 . 1 1 157 157 THR CA C 157 59.679 59.679 59.469 0.209 25104 1777 1 2 . 1 1 157 157 THR CB C 157 72.708 72.708 72.331 0.377 25104 1778 1 2 . 1 1 157 157 THR H H 157 9.281 9.281 8.982 0.299 25104 1779 1 2 . 1 1 158 158 ILE N N 158 121.950 121.950 123.487 -1.537 25104 1780 1 2 . 1 1 158 158 ILE HA H 158 4.293 4.293 4.448 -0.155 25104 1781 1 2 . 1 1 158 158 ILE C C 158 175.631 175.631 176.882 -1.251 25104 1782 1 2 . 1 1 158 158 ILE CA C 158 60.992 60.992 61.703 -0.711 25104 1783 1 2 . 1 1 158 158 ILE CB C 158 36.826 36.826 36.685 0.141 25104 1784 1 2 . 1 1 158 158 ILE H H 158 8.624 8.624 8.444 0.180 25104 1785 1 2 . 1 1 159 159 ALA N N 159 132.727 132.727 130.796 1.931 25104 1786 1 2 . 1 1 159 159 ALA HA H 159 4.179 4.179 4.092 0.087 25104 1787 1 2 . 1 1 159 159 ALA C C 159 179.489 179.489 176.568 2.921 25104 1788 1 2 . 1 1 159 159 ALA CA C 159 54.243 54.243 54.406 -0.163 25104 1789 1 2 . 1 1 159 159 ALA CB C 159 18.804 18.804 19.498 -0.694 25104 1790 1 2 . 1 1 159 159 ALA H H 159 8.910 8.910 8.781 0.129 25104 1791 1 2 . 1 1 160 160 ASP N N 160 111.561 111.561 111.229 0.332 25104 1792 1 2 . 1 1 160 160 ASP HA H 160 4.937 4.937 4.950 -0.013 25104 1793 1 2 . 1 1 160 160 ASP C C 160 173.920 173.920 174.192 -0.272 25104 1794 1 2 . 1 1 160 160 ASP CA C 160 52.873 52.873 53.673 -0.800 25104 1795 1 2 . 1 1 160 160 ASP CB C 160 43.620 43.620 43.774 -0.154 25104 1796 1 2 . 1 1 160 160 ASP H H 160 8.107 8.107 7.642 0.465 25104 1797 1 2 . 1 1 161 161 CYS N N 161 116.145 116.145 118.520 -2.375 25104 1798 1 2 . 1 1 161 161 CYS HA H 161 4.626 4.626 6.094 -1.468 25104 1799 1 2 . 1 1 161 161 CYS C C 161 173.426 173.426 174.740 -1.314 25104 1800 1 2 . 1 1 161 161 CYS CA C 161 55.518 55.518 55.319 0.199 25104 1801 1 2 . 1 1 161 161 CYS CB C 161 31.463 31.463 31.794 -0.331 25104 1802 1 2 . 1 1 161 161 CYS H H 161 8.640 8.640 8.733 -0.093 25104 1803 1 2 . 1 1 162 162 GLY N N 162 104.114 104.114 107.884 -3.770 25104 1804 1 2 . 1 1 162 162 GLY C C 162 171.116 171.116 173.452 -2.336 25104 1805 1 2 . 1 1 162 162 GLY CA C 162 45.436 45.436 45.054 0.382 25104 1806 1 2 . 1 1 162 162 GLY H H 162 6.889 6.889 8.467 -1.578 25104 1807 1 2 . 1 1 163 163 GLN N N 163 121.022 121.022 120.884 0.138 25104 1808 1 2 . 1 1 163 163 GLN HA H 163 5.150 5.150 4.095 1.055 25104 1809 1 2 . 1 1 163 163 GLN C C 163 176.548 176.548 175.895 0.653 25104 1810 1 2 . 1 1 163 163 GLN CA C 163 54.794 54.794 56.583 -1.789 25104 1811 1 2 . 1 1 163 163 GLN CB C 163 30.765 30.765 28.714 2.051 25104 1812 1 2 . 1 1 163 163 GLN H H 163 9.062 9.062 8.158 0.904 25104 1813 1 2 . 1 1 164 164 LEU N N 164 126.034 126.034 129.342 -3.308 25104 1814 1 2 . 1 1 164 164 LEU HA H 164 4.641 4.641 4.262 0.379 25104 1815 1 2 . 1 1 164 164 LEU C C 164 177.108 177.108 175.426 1.682 25104 1816 1 2 . 1 1 164 164 LEU CA C 164 55.036 55.036 55.220 -0.184 25104 1817 1 2 . 1 1 164 164 LEU CB C 164 43.560 43.560 41.425 2.135 25104 1818 1 2 . 1 1 164 164 LEU H H 164 8.639 8.639 8.373 0.266 25104 1819 1 3 . 1 1 2 2 VAL N N 2 111.261 111.261 121.424 -10.163 25104 1820 1 3 . 1 1 2 2 VAL HA H 2 4.126 4.126 4.137 -0.011 25104 1821 1 3 . 1 1 2 2 VAL C C 2 176.404 176.404 175.051 1.353 25104 1822 1 3 . 1 1 2 2 VAL CA C 2 61.417 61.417 62.059 -0.642 25104 1823 1 3 . 1 1 2 2 VAL CB C 2 33.763 33.763 32.307 1.456 25104 1824 1 3 . 1 1 2 2 VAL H H 2 8.447 8.447 8.030 0.417 25104 1825 1 3 . 1 1 3 3 ASN N N 3 126.056 126.056 120.437 5.619 25104 1826 1 3 . 1 1 3 3 ASN HA H 3 5.205 5.205 4.916 0.289 25104 1827 1 3 . 1 1 3 3 ASN CA C 3 50.987 50.987 51.178 -0.191 25104 1828 1 3 . 1 1 3 3 ASN CB C 3 38.031 38.031 38.558 -0.527 25104 1829 1 3 . 1 1 3 3 ASN H H 3 8.666 8.666 7.972 0.694 25104 1830 1 3 . 1 1 4 4 PRO HA H 4 4.818 4.818 4.322 0.496 25104 1831 1 3 . 1 1 4 4 PRO C C 4 176.242 176.242 176.403 -0.161 25104 1832 1 3 . 1 1 4 4 PRO CA C 4 62.832 62.832 63.107 -0.275 25104 1833 1 3 . 1 1 4 4 PRO CB C 4 33.162 33.162 31.956 1.206 25104 1834 1 3 . 1 1 5 5 THR N N 5 115.265 115.265 121.003 -5.738 25104 1835 1 3 . 1 1 5 5 THR HA H 5 5.759 5.759 4.956 0.803 25104 1836 1 3 . 1 1 5 5 THR C C 5 176.483 176.483 174.426 2.057 25104 1837 1 3 . 1 1 5 5 THR CA C 5 60.867 60.867 62.069 -1.202 25104 1838 1 3 . 1 1 5 5 THR CB C 5 71.050 71.050 70.126 0.924 25104 1839 1 3 . 1 1 5 5 THR H H 5 8.787 8.787 7.916 0.871 25104 1840 1 3 . 1 1 6 6 VAL N N 6 120.640 120.640 121.310 -0.670 25104 1841 1 3 . 1 1 6 6 VAL HA H 6 5.379 5.379 4.443 0.936 25104 1842 1 3 . 1 1 6 6 VAL C C 6 174.710 174.710 173.421 1.289 25104 1843 1 3 . 1 1 6 6 VAL CA C 6 58.881 58.881 60.990 -2.109 25104 1844 1 3 . 1 1 6 6 VAL CB C 6 36.180 36.180 33.132 3.048 25104 1845 1 3 . 1 1 6 6 VAL H H 6 8.805 8.805 8.857 -0.052 25104 1846 1 3 . 1 1 7 7 PHE N N 7 119.359 119.359 126.956 -7.597 25104 1847 1 3 . 1 1 7 7 PHE HA H 7 5.948 5.948 5.423 0.525 25104 1848 1 3 . 1 1 7 7 PHE C C 7 173.634 173.634 173.387 0.247 25104 1849 1 3 . 1 1 7 7 PHE CA C 7 55.925 55.925 55.205 0.720 25104 1850 1 3 . 1 1 7 7 PHE CB C 7 43.166 43.166 42.387 0.779 25104 1851 1 3 . 1 1 7 7 PHE H H 7 8.995 8.995 8.226 0.769 25104 1852 1 3 . 1 1 8 8 PHE N N 8 117.097 117.097 123.078 -5.981 25104 1853 1 3 . 1 1 8 8 PHE HA H 8 5.367 5.367 4.954 0.413 25104 1854 1 3 . 1 1 8 8 PHE C C 8 176.000 176.000 174.003 1.997 25104 1855 1 3 . 1 1 8 8 PHE CA C 8 53.460 53.460 55.901 -2.441 25104 1856 1 3 . 1 1 8 8 PHE CB C 8 42.791 42.791 43.580 -0.789 25104 1857 1 3 . 1 1 8 8 PHE H H 8 9.571 9.571 8.487 1.084 25104 1858 1 3 . 1 1 9 9 ASP N N 9 124.287 124.287 122.931 1.356 25104 1859 1 3 . 1 1 9 9 ASP HA H 9 5.585 5.585 5.033 0.552 25104 1860 1 3 . 1 1 9 9 ASP C C 9 176.286 176.286 175.078 1.208 25104 1861 1 3 . 1 1 9 9 ASP CA C 9 54.831 54.831 54.141 0.691 25104 1862 1 3 . 1 1 9 9 ASP CB C 9 41.366 41.366 42.163 -0.797 25104 1863 1 3 . 1 1 9 9 ASP H H 9 9.301 9.301 8.410 0.891 25104 1864 1 3 . 1 1 10 10 ILE N N 10 124.286 124.286 124.245 0.041 25104 1865 1 3 . 1 1 10 10 ILE HA H 10 5.213 5.213 4.155 1.058 25104 1866 1 3 . 1 1 10 10 ILE C C 10 177.031 177.031 174.649 2.382 25104 1867 1 3 . 1 1 10 10 ILE CA C 10 58.233 58.233 59.512 -1.279 25104 1868 1 3 . 1 1 10 10 ILE CB C 10 37.769 37.769 36.660 1.109 25104 1869 1 3 . 1 1 10 10 ILE H H 10 9.059 9.059 8.417 0.642 25104 1870 1 3 . 1 1 11 11 ALA N N 11 132.503 132.503 131.673 0.830 25104 1871 1 3 . 1 1 11 11 ALA HA H 11 5.216 5.216 4.862 0.354 25104 1872 1 3 . 1 1 11 11 ALA C C 11 175.928 175.928 175.420 0.508 25104 1873 1 3 . 1 1 11 11 ALA CA C 11 50.948 50.948 50.275 0.673 25104 1874 1 3 . 1 1 11 11 ALA CB C 11 22.804 22.804 21.692 1.112 25104 1875 1 3 . 1 1 11 11 ALA H H 11 9.642 9.642 8.959 0.683 25104 1876 1 3 . 1 1 12 12 VAL N N 12 118.551 118.551 125.347 -6.796 25104 1877 1 3 . 1 1 12 12 VAL HA H 12 4.578 4.578 4.023 0.555 25104 1878 1 3 . 1 1 12 12 VAL C C 12 177.347 177.347 175.865 1.482 25104 1879 1 3 . 1 1 12 12 VAL CA C 12 60.457 60.457 61.906 -1.449 25104 1880 1 3 . 1 1 12 12 VAL CB C 12 33.301 33.301 32.063 1.238 25104 1881 1 3 . 1 1 12 12 VAL H H 12 8.984 8.984 8.296 0.688 25104 1882 1 3 . 1 1 13 13 ASP N N 13 131.009 131.009 129.212 1.797 25104 1883 1 3 . 1 1 13 13 ASP HA H 13 4.359 4.359 4.262 0.097 25104 1884 1 3 . 1 1 13 13 ASP C C 13 176.795 176.795 176.493 0.302 25104 1885 1 3 . 1 1 13 13 ASP CA C 13 55.880 55.880 55.410 0.470 25104 1886 1 3 . 1 1 13 13 ASP CB C 13 39.999 39.999 39.174 0.825 25104 1887 1 3 . 1 1 13 13 ASP H H 13 9.868 9.868 9.018 0.850 25104 1888 1 3 . 1 1 14 14 GLY N N 14 101.848 101.848 103.840 -1.992 25104 1889 1 3 . 1 1 14 14 GLY C C 14 174.700 174.700 174.404 0.296 25104 1890 1 3 . 1 1 14 14 GLY CA C 14 45.303 45.303 45.289 0.014 25104 1891 1 3 . 1 1 14 14 GLY H H 14 8.578 8.578 8.055 0.523 25104 1892 1 3 . 1 1 15 15 GLU N N 15 123.331 123.331 122.253 1.078 25104 1893 1 3 . 1 1 15 15 GLU HA H 15 4.891 4.891 4.697 0.194 25104 1894 1 3 . 1 1 15 15 GLU CA C 15 52.932 52.932 52.826 0.106 25104 1895 1 3 . 1 1 15 15 GLU CB C 15 30.468 30.468 29.582 0.886 25104 1896 1 3 . 1 1 15 15 GLU H H 15 8.086 8.086 7.610 0.476 25104 1897 1 3 . 1 1 16 16 PRO HA H 16 4.240 4.240 4.466 -0.226 25104 1898 1 3 . 1 1 16 16 PRO C C 16 177.072 177.072 176.336 0.736 25104 1899 1 3 . 1 1 16 16 PRO CA C 16 64.838 64.838 63.231 1.607 25104 1900 1 3 . 1 1 16 16 PRO CB C 16 32.368 32.368 31.548 0.820 25104 1901 1 3 . 1 1 17 17 LEU N N 17 126.051 126.051 126.496 -0.445 25104 1902 1 3 . 1 1 17 17 LEU HA H 17 4.739 4.739 4.228 0.511 25104 1903 1 3 . 1 1 17 17 LEU C C 17 176.975 176.975 176.475 0.500 25104 1904 1 3 . 1 1 17 17 LEU CA C 17 55.511 55.511 55.318 0.194 25104 1905 1 3 . 1 1 17 17 LEU CB C 17 44.257 44.257 42.990 1.267 25104 1906 1 3 . 1 1 17 17 LEU H H 17 9.237 9.237 8.599 0.638 25104 1907 1 3 . 1 1 18 18 GLY N N 18 102.496 102.496 105.488 -2.992 25104 1908 1 3 . 1 1 18 18 GLY C C 18 170.997 170.997 171.443 -0.446 25104 1909 1 3 . 1 1 18 18 GLY CA C 18 44.713 44.713 44.792 -0.079 25104 1910 1 3 . 1 1 18 18 GLY H H 18 7.303 7.303 7.423 -0.120 25104 1911 1 3 . 1 1 19 19 ARG N N 19 121.330 121.330 119.151 2.179 25104 1912 1 3 . 1 1 19 19 ARG HA H 19 5.665 5.665 5.070 0.595 25104 1913 1 3 . 1 1 19 19 ARG C C 19 176.011 176.011 175.085 0.926 25104 1914 1 3 . 1 1 19 19 ARG CA C 19 55.106 55.106 55.014 0.092 25104 1915 1 3 . 1 1 19 19 ARG CB C 19 33.587 33.587 33.427 0.160 25104 1916 1 3 . 1 1 19 19 ARG H H 19 8.348 8.348 8.315 0.033 25104 1917 1 3 . 1 1 20 20 VAL N N 20 126.859 126.859 122.112 4.747 25104 1918 1 3 . 1 1 20 20 VAL HA H 20 4.650 4.650 4.516 0.134 25104 1919 1 3 . 1 1 20 20 VAL C C 20 174.836 174.836 174.278 0.558 25104 1920 1 3 . 1 1 20 20 VAL CA C 20 59.966 59.966 60.381 -0.415 25104 1921 1 3 . 1 1 20 20 VAL CB C 20 35.034 35.034 35.269 -0.235 25104 1922 1 3 . 1 1 20 20 VAL H H 20 9.400 9.400 8.229 1.171 25104 1923 1 3 . 1 1 21 21 SER N N 21 120.319 120.319 119.323 0.996 25104 1924 1 3 . 1 1 21 21 SER HA H 21 5.565 5.565 5.303 0.262 25104 1925 1 3 . 1 1 21 21 SER C C 21 174.694 174.694 173.584 1.110 25104 1926 1 3 . 1 1 21 21 SER CA C 21 55.462 55.462 56.442 -0.980 25104 1927 1 3 . 1 1 21 21 SER CB C 21 66.546 66.546 64.719 1.827 25104 1928 1 3 . 1 1 21 21 SER H H 21 8.791 8.791 8.791 -0.000 25104 1929 1 3 . 1 1 22 22 PHE N N 22 119.239 119.239 123.938 -4.699 25104 1930 1 3 . 1 1 22 22 PHE HA H 22 5.279 5.279 4.896 0.383 25104 1931 1 3 . 1 1 22 22 PHE C C 22 176.190 176.190 175.122 1.068 25104 1932 1 3 . 1 1 22 22 PHE CA C 22 55.882 55.882 56.464 -0.582 25104 1933 1 3 . 1 1 22 22 PHE CB C 22 42.673 42.673 40.111 2.562 25104 1934 1 3 . 1 1 22 22 PHE H H 22 9.553 9.553 9.257 0.296 25104 1935 1 3 . 1 1 23 23 GLU N N 23 123.308 123.308 125.158 -1.850 25104 1936 1 3 . 1 1 23 23 GLU HA H 23 4.797 4.797 4.230 0.567 25104 1937 1 3 . 1 1 23 23 GLU C C 23 175.673 175.673 175.561 0.112 25104 1938 1 3 . 1 1 23 23 GLU CA C 23 55.119 55.119 55.644 -0.525 25104 1939 1 3 . 1 1 23 23 GLU CB C 23 32.058 32.058 29.799 2.259 25104 1940 1 3 . 1 1 23 23 GLU H H 23 8.791 8.791 8.786 0.005 25104 1941 1 3 . 1 1 24 24 LEU N N 24 122.539 122.539 127.177 -4.638 25104 1942 1 3 . 1 1 24 24 LEU HA H 24 4.749 4.749 4.559 0.190 25104 1943 1 3 . 1 1 24 24 LEU C C 24 178.229 178.229 177.210 1.019 25104 1944 1 3 . 1 1 24 24 LEU CA C 24 51.899 51.899 54.032 -2.133 25104 1945 1 3 . 1 1 24 24 LEU CB C 24 43.248 43.248 42.348 0.900 25104 1946 1 3 . 1 1 24 24 LEU H H 24 8.198 8.198 8.337 -0.139 25104 1947 1 3 . 1 1 25 25 PHE N N 25 124.715 124.715 123.408 1.307 25104 1948 1 3 . 1 1 25 25 PHE HA H 25 5.171 5.171 4.770 0.401 25104 1949 1 3 . 1 1 25 25 PHE C C 25 177.485 177.485 175.728 1.757 25104 1950 1 3 . 1 1 25 25 PHE CA C 25 54.699 54.699 57.330 -2.631 25104 1951 1 3 . 1 1 25 25 PHE CB C 25 36.100 36.100 36.636 -0.537 25104 1952 1 3 . 1 1 25 25 PHE H H 25 8.864 8.864 9.166 -0.302 25104 1953 1 3 . 1 1 26 26 ALA N N 26 128.663 128.663 125.496 3.167 25104 1954 1 3 . 1 1 26 26 ALA HA H 26 3.838 3.838 4.113 -0.275 25104 1955 1 3 . 1 1 26 26 ALA C C 26 177.291 177.291 178.583 -1.292 25104 1956 1 3 . 1 1 26 26 ALA CA C 26 54.316 54.316 55.164 -0.848 25104 1957 1 3 . 1 1 26 26 ALA CB C 26 19.002 19.002 18.960 0.042 25104 1958 1 3 . 1 1 26 26 ALA H H 26 8.480 8.480 7.726 0.754 25104 1959 1 3 . 1 1 27 27 ASP N N 27 114.191 114.191 116.058 -1.867 25104 1960 1 3 . 1 1 27 27 ASP HA H 27 4.197 4.197 4.428 -0.231 25104 1961 1 3 . 1 1 27 27 ASP C C 27 177.976 177.976 177.206 0.770 25104 1962 1 3 . 1 1 27 27 ASP CA C 27 55.410 55.410 56.390 -0.980 25104 1963 1 3 . 1 1 27 27 ASP CB C 27 38.821 38.821 40.172 -1.351 25104 1964 1 3 . 1 1 27 27 ASP H H 27 9.145 9.145 8.751 0.394 25104 1965 1 3 . 1 1 28 28 LYS N N 28 118.107 118.107 118.699 -0.592 25104 1966 1 3 . 1 1 28 28 LYS HA H 28 4.599 4.599 4.408 0.191 25104 1967 1 3 . 1 1 28 28 LYS C C 28 177.840 177.840 177.284 0.556 25104 1968 1 3 . 1 1 28 28 LYS CA C 28 56.262 56.262 57.559 -1.297 25104 1969 1 3 . 1 1 28 28 LYS CB C 28 36.006 36.006 34.643 1.363 25104 1970 1 3 . 1 1 28 28 LYS H H 28 7.569 7.569 7.606 -0.037 25104 1971 1 3 . 1 1 29 29 VAL N N 29 114.551 114.551 115.156 -0.605 25104 1972 1 3 . 1 1 29 29 VAL HA H 29 4.487 4.487 4.954 -0.467 25104 1973 1 3 . 1 1 29 29 VAL CA C 29 58.309 58.309 58.595 -0.286 25104 1974 1 3 . 1 1 29 29 VAL CB C 29 32.078 32.078 32.642 -0.564 25104 1975 1 3 . 1 1 29 29 VAL H H 29 8.364 8.364 7.887 0.477 25104 1976 1 3 . 1 1 30 30 PRO HA H 30 4.450 4.450 4.400 0.050 25104 1977 1 3 . 1 1 30 30 PRO C C 30 181.892 181.892 178.757 3.135 25104 1978 1 3 . 1 1 30 30 PRO CA C 30 66.227 66.227 65.616 0.611 25104 1979 1 3 . 1 1 30 30 PRO CB C 30 31.547 31.547 32.159 -0.612 25104 1980 1 3 . 1 1 31 31 LYS N N 31 123.785 123.785 118.770 5.015 25104 1981 1 3 . 1 1 31 31 LYS HA H 31 4.105 4.105 3.980 0.125 25104 1982 1 3 . 1 1 31 31 LYS C C 31 182.749 182.749 178.784 3.965 25104 1983 1 3 . 1 1 31 31 LYS CA C 31 61.057 61.057 59.612 1.444 25104 1984 1 3 . 1 1 31 31 LYS CB C 31 32.468 32.468 31.860 0.608 25104 1985 1 3 . 1 1 31 31 LYS H H 31 10.684 10.684 8.078 2.606 25104 1986 1 3 . 1 1 32 32 THR N N 32 124.002 124.002 112.940 11.062 25104 1987 1 3 . 1 1 32 32 THR HA H 32 4.034 4.034 4.196 -0.162 25104 1988 1 3 . 1 1 32 32 THR C C 32 178.673 178.673 176.141 2.532 25104 1989 1 3 . 1 1 32 32 THR CA C 32 67.526 67.526 66.163 1.363 25104 1990 1 3 . 1 1 32 32 THR CB C 32 68.705 68.705 68.454 0.251 25104 1991 1 3 . 1 1 32 32 THR H H 32 10.320 10.320 8.126 2.194 25104 1992 1 3 . 1 1 33 33 ALA N N 33 125.616 125.616 123.799 1.817 25104 1993 1 3 . 1 1 33 33 ALA HA H 33 4.092 4.092 4.370 -0.278 25104 1994 1 3 . 1 1 33 33 ALA C C 33 179.174 179.174 179.406 -0.232 25104 1995 1 3 . 1 1 33 33 ALA CA C 33 55.972 55.972 55.189 0.783 25104 1996 1 3 . 1 1 33 33 ALA CB C 33 18.414 18.414 18.380 0.034 25104 1997 1 3 . 1 1 33 33 ALA H H 33 9.311 9.311 7.861 1.450 25104 1998 1 3 . 1 1 34 34 GLU N N 34 117.376 117.376 119.023 -1.647 25104 1999 1 3 . 1 1 34 34 GLU HA H 34 4.556 4.556 4.008 0.548 25104 2000 1 3 . 1 1 34 34 GLU C C 34 178.418 178.418 178.580 -0.162 25104 2001 1 3 . 1 1 34 34 GLU CA C 34 58.238 58.238 58.961 -0.723 25104 2002 1 3 . 1 1 34 34 GLU CB C 34 28.181 28.181 29.515 -1.334 25104 2003 1 3 . 1 1 34 34 GLU H H 34 8.069 8.069 7.997 0.072 25104 2004 1 3 . 1 1 35 35 ASN N N 35 115.722 115.722 118.567 -2.845 25104 2005 1 3 . 1 1 35 35 ASN HA H 35 4.108 4.108 4.410 -0.302 25104 2006 1 3 . 1 1 35 35 ASN C C 35 175.568 175.568 177.413 -1.845 25104 2007 1 3 . 1 1 35 35 ASN CA C 35 56.768 56.768 56.119 0.649 25104 2008 1 3 . 1 1 35 35 ASN CB C 35 39.644 39.644 38.337 1.307 25104 2009 1 3 . 1 1 35 35 ASN H H 35 7.193 7.193 7.846 -0.653 25104 2010 1 3 . 1 1 36 36 PHE N N 36 117.929 117.929 120.367 -2.438 25104 2011 1 3 . 1 1 36 36 PHE HA H 36 4.158 4.158 4.113 0.045 25104 2012 1 3 . 1 1 36 36 PHE C C 36 179.707 179.707 177.474 2.233 25104 2013 1 3 . 1 1 36 36 PHE CA C 36 61.589 61.589 61.015 0.574 25104 2014 1 3 . 1 1 36 36 PHE CB C 36 39.948 39.948 39.111 0.837 25104 2015 1 3 . 1 1 36 36 PHE H H 36 7.065 7.065 7.441 -0.376 25104 2016 1 3 . 1 1 37 37 ARG N N 37 121.048 121.048 120.501 0.547 25104 2017 1 3 . 1 1 37 37 ARG HA H 37 3.685 3.685 3.905 -0.220 25104 2018 1 3 . 1 1 37 37 ARG C C 37 179.000 179.000 177.990 1.010 25104 2019 1 3 . 1 1 37 37 ARG CA C 37 60.515 60.515 59.668 0.847 25104 2020 1 3 . 1 1 37 37 ARG CB C 37 29.880 29.880 30.240 -0.360 25104 2021 1 3 . 1 1 37 37 ARG H H 37 8.975 8.975 8.116 0.859 25104 2022 1 3 . 1 1 38 38 ALA N N 38 119.232 119.232 121.827 -2.595 25104 2023 1 3 . 1 1 38 38 ALA HA H 38 4.126 4.126 4.404 -0.278 25104 2024 1 3 . 1 1 38 38 ALA C C 38 183.365 183.365 179.860 3.505 25104 2025 1 3 . 1 1 38 38 ALA CA C 38 54.477 54.477 54.410 0.067 25104 2026 1 3 . 1 1 38 38 ALA CB C 38 18.405 18.405 18.585 -0.180 25104 2027 1 3 . 1 1 38 38 ALA H H 38 8.741 8.741 7.943 0.798 25104 2028 1 3 . 1 1 39 39 LEU N N 39 120.723 120.723 118.816 1.907 25104 2029 1 3 . 1 1 39 39 LEU HA H 39 3.800 3.800 4.231 -0.431 25104 2030 1 3 . 1 1 39 39 LEU C C 39 180.481 180.481 178.815 1.666 25104 2031 1 3 . 1 1 39 39 LEU CA C 39 57.268 57.268 57.721 -0.453 25104 2032 1 3 . 1 1 39 39 LEU CB C 39 41.218 41.218 41.572 -0.354 25104 2033 1 3 . 1 1 39 39 LEU H H 39 8.212 8.212 7.950 0.262 25104 2034 1 3 . 1 1 40 40 SER N N 40 119.210 119.210 114.546 4.664 25104 2035 1 3 . 1 1 40 40 SER HA H 40 4.341 4.341 4.258 0.083 25104 2036 1 3 . 1 1 40 40 SER C C 40 175.380 175.380 176.675 -1.295 25104 2037 1 3 . 1 1 40 40 SER CA C 40 62.924 62.924 61.159 1.765 25104 2038 1 3 . 1 1 40 40 SER CB C 40 62.992 62.992 63.101 -0.109 25104 2039 1 3 . 1 1 40 40 SER H H 40 7.938 7.938 7.980 -0.042 25104 2040 1 3 . 1 1 41 41 THR N N 41 108.556 108.556 112.032 -3.476 25104 2041 1 3 . 1 1 41 41 THR HA H 41 4.508 4.508 4.237 0.271 25104 2042 1 3 . 1 1 41 41 THR C C 41 179.088 179.088 176.089 2.999 25104 2043 1 3 . 1 1 41 41 THR CA C 41 62.492 62.492 63.773 -1.281 25104 2044 1 3 . 1 1 41 41 THR CB C 41 69.663 69.663 69.614 0.049 25104 2045 1 3 . 1 1 41 41 THR H H 41 8.017 8.017 8.021 -0.004 25104 2046 1 3 . 1 1 42 42 GLY N N 42 108.433 108.433 110.268 -1.835 25104 2047 1 3 . 1 1 42 42 GLY C C 42 178.676 178.676 175.981 2.695 25104 2048 1 3 . 1 1 42 42 GLY CA C 42 45.840 45.840 45.487 0.353 25104 2049 1 3 . 1 1 42 42 GLY H H 42 7.621 7.621 7.836 -0.215 25104 2050 1 3 . 1 1 43 43 GLU N N 43 118.777 118.777 120.431 -1.654 25104 2051 1 3 . 1 1 43 43 GLU HA H 43 4.171 4.171 4.151 0.020 25104 2052 1 3 . 1 1 43 43 GLU C C 43 177.458 177.458 177.490 -0.032 25104 2053 1 3 . 1 1 43 43 GLU CA C 43 58.580 58.580 57.809 0.770 25104 2054 1 3 . 1 1 43 43 GLU H H 43 8.049 8.049 8.097 -0.048 25104 2055 1 3 . 1 1 44 44 LYS N N 44 118.526 118.526 116.616 1.910 25104 2056 1 3 . 1 1 44 44 LYS HA H 44 4.342 4.342 4.312 0.030 25104 2057 1 3 . 1 1 44 44 LYS C C 44 177.590 177.590 176.644 0.946 25104 2058 1 3 . 1 1 44 44 LYS CA C 44 54.405 54.405 54.737 -0.332 25104 2059 1 3 . 1 1 44 44 LYS CB C 44 30.488 30.488 32.274 -1.786 25104 2060 1 3 . 1 1 44 44 LYS H H 44 9.123 9.123 7.341 1.782 25104 2061 1 3 . 1 1 45 45 GLY N N 45 105.553 105.553 107.773 -2.220 25104 2062 1 3 . 1 1 45 45 GLY C C 45 173.518 173.518 175.266 -1.748 25104 2063 1 3 . 1 1 45 45 GLY CA C 45 44.612 44.612 46.041 -1.429 25104 2064 1 3 . 1 1 45 45 GLY H H 45 7.970 7.970 7.819 0.151 25104 2065 1 3 . 1 1 46 46 PHE N N 46 113.753 113.753 121.230 -7.477 25104 2066 1 3 . 1 1 46 46 PHE HA H 46 4.678 4.678 4.270 0.408 25104 2067 1 3 . 1 1 46 46 PHE C C 46 173.684 173.684 176.679 -2.995 25104 2068 1 3 . 1 1 46 46 PHE CA C 46 54.077 54.077 57.784 -3.707 25104 2069 1 3 . 1 1 46 46 PHE CB C 46 39.658 39.658 38.794 0.864 25104 2070 1 3 . 1 1 46 46 PHE H H 46 6.469 6.469 7.347 -0.878 25104 2071 1 3 . 1 1 47 47 GLY N N 47 104.722 104.722 106.184 -1.462 25104 2072 1 3 . 1 1 47 47 GLY C C 47 172.446 172.446 174.970 -2.524 25104 2073 1 3 . 1 1 47 47 GLY CA C 47 45.601 45.601 45.399 0.202 25104 2074 1 3 . 1 1 47 47 GLY H H 47 7.756 7.756 8.211 -0.455 25104 2075 1 3 . 1 1 48 48 TYR N N 48 113.796 113.796 120.557 -6.761 25104 2076 1 3 . 1 1 48 48 TYR HA H 48 4.270 4.270 4.206 0.064 25104 2077 1 3 . 1 1 48 48 TYR C C 48 178.924 178.924 175.790 3.134 25104 2078 1 3 . 1 1 48 48 TYR CA C 48 57.365 57.365 59.033 -1.668 25104 2079 1 3 . 1 1 48 48 TYR CB C 48 38.832 38.832 37.466 1.366 25104 2080 1 3 . 1 1 48 48 TYR H H 48 6.948 6.948 8.253 -1.305 25104 2081 1 3 . 1 1 49 49 LYS N N 49 124.858 124.858 124.660 0.198 25104 2082 1 3 . 1 1 49 49 LYS HA H 49 3.655 3.655 4.337 -0.682 25104 2083 1 3 . 1 1 49 49 LYS C C 49 178.388 178.388 176.400 1.988 25104 2084 1 3 . 1 1 49 49 LYS CA C 49 61.018 61.018 54.560 6.458 25104 2085 1 3 . 1 1 49 49 LYS CB C 49 31.484 31.484 33.909 -2.425 25104 2086 1 3 . 1 1 49 49 LYS H H 49 8.493 8.493 7.519 0.974 25104 2087 1 3 . 1 1 50 50 GLY N N 50 117.833 117.833 115.546 2.287 25104 2088 1 3 . 1 1 50 50 GLY C C 50 175.259 175.259 174.426 0.833 25104 2089 1 3 . 1 1 50 50 GLY CA C 50 45.495 45.495 45.463 0.032 25104 2090 1 3 . 1 1 50 50 GLY H H 50 9.509 9.509 8.477 1.032 25104 2091 1 3 . 1 1 51 51 SER N N 51 116.413 116.413 115.567 0.846 25104 2092 1 3 . 1 1 51 51 SER HA H 51 4.516 4.516 4.380 0.136 25104 2093 1 3 . 1 1 51 51 SER C C 51 172.808 172.808 175.201 -2.393 25104 2094 1 3 . 1 1 51 51 SER CA C 51 59.043 59.043 58.361 0.681 25104 2095 1 3 . 1 1 51 51 SER CB C 51 63.781 63.781 63.600 0.181 25104 2096 1 3 . 1 1 51 51 SER H H 51 8.436 8.436 7.726 0.710 25104 2097 1 3 . 1 1 52 52 CYS N N 52 115.156 115.156 123.576 -8.420 25104 2098 1 3 . 1 1 52 52 CYS HA H 52 5.932 5.932 5.314 0.618 25104 2099 1 3 . 1 1 52 52 CYS C C 52 177.437 177.437 174.172 3.265 25104 2100 1 3 . 1 1 52 52 CYS CA C 52 55.998 55.998 57.110 -1.112 25104 2101 1 3 . 1 1 52 52 CYS CB C 52 31.953 31.953 30.015 1.938 25104 2102 1 3 . 1 1 52 52 CYS H H 52 9.875 9.875 8.226 1.649 25104 2103 1 3 . 1 1 53 53 PHE N N 53 123.068 123.068 118.765 4.303 25104 2104 1 3 . 1 1 53 53 PHE HA H 53 4.899 4.899 4.793 0.106 25104 2105 1 3 . 1 1 53 53 PHE C C 53 175.886 175.886 175.900 -0.014 25104 2106 1 3 . 1 1 53 53 PHE CA C 53 58.389 58.389 57.684 0.706 25104 2107 1 3 . 1 1 53 53 PHE CB C 53 39.535 39.535 41.203 -1.668 25104 2108 1 3 . 1 1 53 53 PHE H H 53 8.732 8.732 8.738 -0.006 25104 2109 1 3 . 1 1 54 54 HIS N N 54 120.227 120.227 119.457 0.770 25104 2110 1 3 . 1 1 54 54 HIS HA H 54 4.763 4.763 4.969 -0.206 25104 2111 1 3 . 1 1 54 54 HIS C C 54 176.409 176.409 174.328 2.081 25104 2112 1 3 . 1 1 54 54 HIS CA C 54 57.323 57.323 55.577 1.746 25104 2113 1 3 . 1 1 54 54 HIS CB C 54 31.542 31.542 32.187 -0.645 25104 2114 1 3 . 1 1 54 54 HIS H H 54 7.696 7.696 8.289 -0.593 25104 2115 1 3 . 1 1 55 55 ARG N N 55 123.202 123.202 120.873 2.329 25104 2116 1 3 . 1 1 55 55 ARG HA H 55 5.118 5.118 5.197 -0.079 25104 2117 1 3 . 1 1 55 55 ARG C C 55 174.511 174.511 173.670 0.841 25104 2118 1 3 . 1 1 55 55 ARG CA C 55 54.913 54.913 54.902 0.011 25104 2119 1 3 . 1 1 55 55 ARG CB C 55 33.805 33.805 31.426 2.379 25104 2120 1 3 . 1 1 55 55 ARG H H 55 7.089 7.089 7.189 -0.100 25104 2121 1 3 . 1 1 56 56 ILE N N 56 126.621 126.621 126.042 0.579 25104 2122 1 3 . 1 1 56 56 ILE HA H 56 4.659 4.659 4.681 -0.022 25104 2123 1 3 . 1 1 56 56 ILE C C 56 174.633 174.633 173.819 0.814 25104 2124 1 3 . 1 1 56 56 ILE CA C 56 61.585 61.585 60.636 0.949 25104 2125 1 3 . 1 1 56 56 ILE CB C 56 41.452 41.452 42.376 -0.924 25104 2126 1 3 . 1 1 56 56 ILE H H 56 9.201 9.201 8.826 0.375 25104 2127 1 3 . 1 1 57 57 ILE N N 57 127.965 127.965 125.336 2.629 25104 2128 1 3 . 1 1 57 57 ILE HA H 57 5.248 5.248 5.124 0.124 25104 2129 1 3 . 1 1 57 57 ILE CA C 57 57.685 57.685 57.572 0.113 25104 2130 1 3 . 1 1 57 57 ILE CB C 57 40.236 40.236 41.833 -1.597 25104 2131 1 3 . 1 1 57 57 ILE H H 57 8.753 8.753 9.128 -0.375 25104 2132 1 3 . 1 1 58 58 PRO HA H 58 4.382 4.382 4.385 -0.003 25104 2133 1 3 . 1 1 58 58 PRO C C 58 178.669 178.669 177.662 1.007 25104 2134 1 3 . 1 1 58 58 PRO CA C 58 63.086 63.086 63.648 -0.562 25104 2135 1 3 . 1 1 58 58 PRO CB C 58 31.996 31.996 31.948 0.049 25104 2136 1 3 . 1 1 59 59 GLY N N 59 114.176 114.176 111.432 2.744 25104 2137 1 3 . 1 1 59 59 GLY C C 59 173.281 173.281 173.612 -0.331 25104 2138 1 3 . 1 1 59 59 GLY CA C 59 45.259 45.259 46.076 -0.817 25104 2139 1 3 . 1 1 59 59 GLY H H 59 9.752 9.752 8.536 1.216 25104 2140 1 3 . 1 1 60 60 PHE N N 60 119.241 119.241 118.767 0.474 25104 2141 1 3 . 1 1 60 60 PHE HA H 60 5.153 5.153 4.953 0.200 25104 2142 1 3 . 1 1 60 60 PHE C C 60 174.401 174.401 173.078 1.323 25104 2143 1 3 . 1 1 60 60 PHE CA C 60 56.867 56.867 58.175 -1.308 25104 2144 1 3 . 1 1 60 60 PHE CB C 60 39.954 39.954 41.834 -1.880 25104 2145 1 3 . 1 1 60 60 PHE H H 60 8.196 8.196 8.281 -0.085 25104 2146 1 3 . 1 1 61 61 MET N N 61 111.262 111.262 118.338 -7.076 25104 2147 1 3 . 1 1 61 61 MET HA H 61 5.369 5.369 5.197 0.172 25104 2148 1 3 . 1 1 61 61 MET C C 61 175.163 175.163 173.258 1.905 25104 2149 1 3 . 1 1 61 61 MET CA C 61 55.062 55.062 54.538 0.524 25104 2150 1 3 . 1 1 61 61 MET CB C 61 35.010 35.010 35.943 -0.933 25104 2151 1 3 . 1 1 61 61 MET H H 61 8.128 8.128 8.325 -0.197 25104 2152 1 3 . 1 1 62 62 CYS N N 62 114.848 114.848 123.283 -8.435 25104 2153 1 3 . 1 1 62 62 CYS HA H 62 4.941 4.941 5.000 -0.059 25104 2154 1 3 . 1 1 62 62 CYS C C 62 174.075 174.075 173.348 0.727 25104 2155 1 3 . 1 1 62 62 CYS CA C 62 57.485 57.485 56.580 0.905 25104 2156 1 3 . 1 1 62 62 CYS CB C 62 30.392 30.392 29.546 0.846 25104 2157 1 3 . 1 1 62 62 CYS H H 62 8.501 8.501 8.844 -0.343 25104 2158 1 3 . 1 1 63 63 GLN N N 63 126.854 126.854 125.959 0.895 25104 2159 1 3 . 1 1 63 63 GLN HA H 63 5.410 5.410 5.337 0.073 25104 2160 1 3 . 1 1 63 63 GLN C C 63 175.024 175.024 174.397 0.627 25104 2161 1 3 . 1 1 63 63 GLN CA C 63 54.691 54.691 54.415 0.276 25104 2162 1 3 . 1 1 63 63 GLN CB C 63 30.529 30.529 32.953 -2.424 25104 2163 1 3 . 1 1 63 63 GLN H H 63 9.671 9.671 8.795 0.876 25104 2164 1 3 . 1 1 64 64 GLY N N 64 110.745 110.745 109.444 1.301 25104 2165 1 3 . 1 1 64 64 GLY C C 64 174.113 174.113 172.030 2.083 25104 2166 1 3 . 1 1 64 64 GLY CA C 64 44.788 44.788 43.997 0.791 25104 2167 1 3 . 1 1 64 64 GLY H H 64 7.401 7.401 8.300 -0.899 25104 2168 1 3 . 1 1 65 65 GLY N N 65 105.815 105.815 105.743 0.072 25104 2169 1 3 . 1 1 65 65 GLY C C 65 176.175 176.175 174.390 1.785 25104 2170 1 3 . 1 1 65 65 GLY CA C 65 46.659 46.659 45.358 1.300 25104 2171 1 3 . 1 1 65 65 GLY H H 65 9.265 9.265 7.635 1.630 25104 2172 1 3 . 1 1 66 66 ASP N N 66 123.911 123.911 120.098 3.813 25104 2173 1 3 . 1 1 66 66 ASP HA H 66 4.337 4.337 4.547 -0.210 25104 2174 1 3 . 1 1 66 66 ASP C C 66 177.105 177.105 175.829 1.276 25104 2175 1 3 . 1 1 66 66 ASP CA C 66 51.592 51.592 55.262 -3.670 25104 2176 1 3 . 1 1 66 66 ASP CB C 66 38.926 38.926 41.012 -2.086 25104 2177 1 3 . 1 1 66 66 ASP H H 66 9.950 9.950 8.049 1.901 25104 2178 1 3 . 1 1 67 67 PHE N N 67 116.285 116.285 117.922 -1.637 25104 2179 1 3 . 1 1 67 67 PHE HA H 67 4.655 4.655 4.301 0.354 25104 2180 1 3 . 1 1 67 67 PHE C C 67 175.240 175.240 175.942 -0.702 25104 2181 1 3 . 1 1 67 67 PHE CA C 67 55.683 55.683 60.338 -4.655 25104 2182 1 3 . 1 1 67 67 PHE CB C 67 39.480 39.480 40.225 -0.745 25104 2183 1 3 . 1 1 67 67 PHE H H 67 6.660 6.660 7.739 -1.079 25104 2184 1 3 . 1 1 68 68 THR N N 68 109.280 109.280 115.615 -6.335 25104 2185 1 3 . 1 1 68 68 THR HA H 68 4.692 4.692 4.039 0.653 25104 2186 1 3 . 1 1 68 68 THR C C 68 176.514 176.514 173.698 2.816 25104 2187 1 3 . 1 1 68 68 THR CA C 68 61.962 61.962 61.894 0.069 25104 2188 1 3 . 1 1 68 68 THR CB C 68 68.922 68.922 68.547 0.375 25104 2189 1 3 . 1 1 68 68 THR H H 68 7.400 7.400 8.331 -0.931 25104 2190 1 3 . 1 1 69 69 ARG N N 69 122.125 122.125 126.840 -4.715 25104 2191 1 3 . 1 1 69 69 ARG HA H 69 4.421 4.421 3.940 0.481 25104 2192 1 3 . 1 1 69 69 ARG CA C 69 55.265 55.265 56.666 -1.401 25104 2193 1 3 . 1 1 69 69 ARG CB C 69 31.727 31.727 29.654 2.073 25104 2194 1 3 . 1 1 69 69 ARG H H 69 8.719 8.719 8.909 -0.190 25104 2195 1 3 . 1 1 70 70 HIS N N 70 111.574 111.574 120.313 -8.739 25104 2196 1 3 . 1 1 70 70 HIS HA H 70 4.451 4.451 4.773 -0.322 25104 2197 1 3 . 1 1 70 70 HIS C C 70 175.306 175.306 174.095 1.211 25104 2198 1 3 . 1 1 70 70 HIS CA C 70 57.193 57.193 54.807 2.386 25104 2199 1 3 . 1 1 70 70 HIS CB C 70 28.587 28.587 30.022 -1.435 25104 2200 1 3 . 1 1 70 70 HIS H H 70 6.865 6.865 8.811 -1.946 25104 2201 1 3 . 1 1 71 71 ASN N N 71 112.710 112.710 120.533 -7.823 25104 2202 1 3 . 1 1 71 71 ASN HA H 71 4.673 4.673 4.519 0.154 25104 2203 1 3 . 1 1 71 71 ASN C C 71 176.752 176.752 175.164 1.588 25104 2204 1 3 . 1 1 71 71 ASN CA C 71 52.366 52.366 52.862 -0.496 25104 2205 1 3 . 1 1 71 71 ASN CB C 71 39.036 39.036 37.184 1.852 25104 2206 1 3 . 1 1 71 71 ASN H H 71 7.594 7.594 8.206 -0.612 25104 2207 1 3 . 1 1 72 72 GLY N N 72 110.452 110.452 111.166 -0.714 25104 2208 1 3 . 1 1 72 72 GLY C C 72 176.669 176.669 174.176 2.493 25104 2209 1 3 . 1 1 72 72 GLY CA C 72 44.887 44.887 45.903 -1.016 25104 2210 1 3 . 1 1 72 72 GLY H H 72 9.642 9.642 8.017 1.625 25104 2211 1 3 . 1 1 73 73 THR N N 73 112.024 112.024 113.357 -1.333 25104 2212 1 3 . 1 1 73 73 THR HA H 73 4.541 4.541 4.416 0.125 25104 2213 1 3 . 1 1 73 73 THR C C 73 176.905 176.905 174.193 2.712 25104 2214 1 3 . 1 1 73 73 THR CA C 73 62.235 62.235 61.966 0.269 25104 2215 1 3 . 1 1 73 73 THR CB C 73 70.677 70.677 70.814 -0.137 25104 2216 1 3 . 1 1 73 73 THR H H 73 7.967 7.967 7.605 0.362 25104 2217 1 3 . 1 1 74 74 GLY N N 74 113.872 113.872 111.386 2.486 25104 2218 1 3 . 1 1 74 74 GLY C C 74 176.149 176.149 174.339 1.810 25104 2219 1 3 . 1 1 74 74 GLY CA C 74 45.126 45.126 46.063 -0.937 25104 2220 1 3 . 1 1 74 74 GLY H H 74 8.711 8.711 8.357 0.354 25104 2221 1 3 . 1 1 75 75 GLY N N 75 109.032 109.032 105.421 3.611 25104 2222 1 3 . 1 1 75 75 GLY C C 75 173.012 173.012 174.142 -1.130 25104 2223 1 3 . 1 1 75 75 GLY CA C 75 43.371 43.371 44.626 -1.255 25104 2224 1 3 . 1 1 75 75 GLY H H 75 8.117 8.117 7.592 0.525 25104 2225 1 3 . 1 1 76 76 LYS N N 76 115.705 115.705 121.501 -5.796 25104 2226 1 3 . 1 1 76 76 LYS HA H 76 4.623 4.623 4.731 -0.108 25104 2227 1 3 . 1 1 76 76 LYS C C 76 173.512 173.512 175.768 -2.256 25104 2228 1 3 . 1 1 76 76 LYS CA C 76 55.975 55.975 56.719 -0.745 25104 2229 1 3 . 1 1 76 76 LYS CB C 76 34.648 34.648 32.697 1.951 25104 2230 1 3 . 1 1 76 76 LYS H H 76 7.034 7.034 7.563 -0.529 25104 2231 1 3 . 1 1 77 77 SER N N 77 114.354 114.354 116.071 -1.717 25104 2232 1 3 . 1 1 77 77 SER HA H 77 5.240 5.240 4.842 0.398 25104 2233 1 3 . 1 1 77 77 SER C C 77 176.746 176.746 176.103 0.643 25104 2234 1 3 . 1 1 77 77 SER CA C 77 57.077 57.077 56.647 0.430 25104 2235 1 3 . 1 1 77 77 SER CB C 77 69.863 69.863 66.951 2.912 25104 2236 1 3 . 1 1 77 77 SER H H 77 7.793 7.793 7.914 -0.121 25104 2237 1 3 . 1 1 78 78 ILE N N 78 111.394 111.394 114.699 -3.305 25104 2238 1 3 . 1 1 78 78 ILE HA H 78 4.208 4.208 4.569 -0.361 25104 2239 1 3 . 1 1 78 78 ILE C C 78 176.973 176.973 175.773 1.200 25104 2240 1 3 . 1 1 78 78 ILE CA C 78 63.675 63.675 63.048 0.626 25104 2241 1 3 . 1 1 78 78 ILE CB C 78 37.434 37.434 37.965 -0.531 25104 2242 1 3 . 1 1 78 78 ILE H H 78 8.584 8.584 8.988 -0.404 25104 2243 1 3 . 1 1 79 79 TYR N N 79 120.757 120.757 120.295 0.462 25104 2244 1 3 . 1 1 79 79 TYR HA H 79 4.718 4.718 4.687 0.031 25104 2245 1 3 . 1 1 79 79 TYR C C 79 176.316 176.316 175.935 0.381 25104 2246 1 3 . 1 1 79 79 TYR CA C 79 56.216 56.216 57.742 -1.526 25104 2247 1 3 . 1 1 79 79 TYR CB C 79 38.891 38.891 37.411 1.480 25104 2248 1 3 . 1 1 79 79 TYR H H 79 8.058 8.058 7.671 0.387 25104 2249 1 3 . 1 1 80 80 GLY N N 80 106.521 106.521 108.381 -1.860 25104 2250 1 3 . 1 1 80 80 GLY CA C 80 46.021 46.021 45.688 0.334 25104 2251 1 3 . 1 1 80 80 GLY H H 80 7.152 7.152 7.579 -0.427 25104 2252 1 3 . 1 1 81 81 GLU N N 81 122.638 122.638 125.547 -2.909 25104 2253 1 3 . 1 1 81 81 GLU HA H 81 4.008 4.008 4.177 -0.169 25104 2254 1 3 . 1 1 81 81 GLU C C 81 176.729 176.729 176.140 0.589 25104 2255 1 3 . 1 1 81 81 GLU CA C 81 60.602 60.602 58.543 2.059 25104 2256 1 3 . 1 1 81 81 GLU CB C 81 29.927 29.927 30.210 -0.283 25104 2257 1 3 . 1 1 81 81 GLU H H 81 8.884 8.884 8.694 0.190 25104 2258 1 3 . 1 1 82 82 LYS N N 82 112.369 112.369 113.995 -1.626 25104 2259 1 3 . 1 1 82 82 LYS HA H 82 5.577 5.577 4.397 1.180 25104 2260 1 3 . 1 1 82 82 LYS C C 82 176.495 176.495 174.989 1.506 25104 2261 1 3 . 1 1 82 82 LYS CA C 82 53.906 53.906 55.659 -1.753 25104 2262 1 3 . 1 1 82 82 LYS CB C 82 36.614 36.614 35.248 1.366 25104 2263 1 3 . 1 1 82 82 LYS H H 82 7.845 7.845 7.755 0.090 25104 2264 1 3 . 1 1 83 83 PHE N N 83 116.638 116.638 114.567 2.071 25104 2265 1 3 . 1 1 83 83 PHE HA H 83 5.000 5.000 4.991 0.009 25104 2266 1 3 . 1 1 83 83 PHE C C 83 174.501 174.501 173.536 0.965 25104 2267 1 3 . 1 1 83 83 PHE CA C 83 56.032 56.032 55.973 0.059 25104 2268 1 3 . 1 1 83 83 PHE CB C 83 41.258 41.258 41.064 0.194 25104 2269 1 3 . 1 1 83 83 PHE H H 83 9.184 9.184 8.673 0.511 25104 2270 1 3 . 1 1 84 84 GLU N N 84 119.642 119.642 118.375 1.267 25104 2271 1 3 . 1 1 84 84 GLU HA H 84 3.862 3.862 4.283 -0.421 25104 2272 1 3 . 1 1 84 84 GLU C C 84 177.248 177.248 175.511 1.737 25104 2273 1 3 . 1 1 84 84 GLU CA C 84 56.452 56.452 54.850 1.602 25104 2274 1 3 . 1 1 84 84 GLU CB C 84 29.329 29.329 30.852 -1.523 25104 2275 1 3 . 1 1 84 84 GLU H H 84 9.294 9.294 8.456 0.838 25104 2276 1 3 . 1 1 85 85 ASP N N 85 118.870 118.870 121.094 -2.224 25104 2277 1 3 . 1 1 85 85 ASP HA H 85 4.285 4.285 4.550 -0.265 25104 2278 1 3 . 1 1 85 85 ASP C C 85 177.100 177.100 176.514 0.586 25104 2279 1 3 . 1 1 85 85 ASP CA C 85 54.486 54.486 55.269 -0.783 25104 2280 1 3 . 1 1 85 85 ASP CB C 85 40.954 40.954 41.062 -0.109 25104 2281 1 3 . 1 1 85 85 ASP H H 85 8.609 8.609 8.536 0.073 25104 2282 1 3 . 1 1 86 86 GLU N N 86 131.636 131.636 126.048 5.588 25104 2283 1 3 . 1 1 86 86 GLU HA H 86 3.851 3.851 4.158 -0.307 25104 2284 1 3 . 1 1 86 86 GLU C C 86 177.266 177.266 175.179 2.087 25104 2285 1 3 . 1 1 86 86 GLU CA C 86 60.354 60.354 58.276 2.078 25104 2286 1 3 . 1 1 86 86 GLU CB C 86 31.877 31.877 31.003 0.874 25104 2287 1 3 . 1 1 86 86 GLU H H 86 9.474 9.474 8.993 0.481 25104 2288 1 3 . 1 1 87 87 ASN N N 87 106.916 106.916 112.332 -5.416 25104 2289 1 3 . 1 1 87 87 ASN HA H 87 4.187 4.187 4.449 -0.262 25104 2290 1 3 . 1 1 87 87 ASN C C 87 171.751 171.751 173.155 -1.404 25104 2291 1 3 . 1 1 87 87 ASN CA C 87 52.828 52.828 52.312 0.515 25104 2292 1 3 . 1 1 87 87 ASN CB C 87 39.490 39.490 38.744 0.746 25104 2293 1 3 . 1 1 87 87 ASN H H 87 7.084 7.084 7.617 -0.533 25104 2294 1 3 . 1 1 88 88 PHE N N 88 113.116 113.116 116.673 -3.557 25104 2295 1 3 . 1 1 88 88 PHE HA H 88 5.964 5.964 4.871 1.093 25104 2296 1 3 . 1 1 88 88 PHE C C 88 178.688 178.688 176.741 1.947 25104 2297 1 3 . 1 1 88 88 PHE CA C 88 55.847 55.847 56.721 -0.874 25104 2298 1 3 . 1 1 88 88 PHE CB C 88 38.876 38.876 38.735 0.141 25104 2299 1 3 . 1 1 88 88 PHE H H 88 8.356 8.356 8.409 -0.053 25104 2300 1 3 . 1 1 89 89 ILE N N 89 119.794 119.794 119.935 -0.141 25104 2301 1 3 . 1 1 89 89 ILE HA H 89 3.726 3.726 3.935 -0.209 25104 2302 1 3 . 1 1 89 89 ILE C C 89 178.596 178.596 176.282 2.314 25104 2303 1 3 . 1 1 89 89 ILE CA C 89 64.996 64.996 63.463 1.533 25104 2304 1 3 . 1 1 89 89 ILE CB C 89 39.000 39.000 38.188 0.812 25104 2305 1 3 . 1 1 89 89 ILE H H 89 8.314 8.314 7.704 0.610 25104 2306 1 3 . 1 1 90 90 LEU N N 90 117.361 117.361 120.011 -2.650 25104 2307 1 3 . 1 1 90 90 LEU HA H 90 4.516 4.516 4.393 0.123 25104 2308 1 3 . 1 1 90 90 LEU C C 90 177.345 177.345 175.336 2.009 25104 2309 1 3 . 1 1 90 90 LEU CA C 90 54.196 54.196 54.079 0.117 25104 2310 1 3 . 1 1 90 90 LEU CB C 90 42.100 42.100 42.184 -0.084 25104 2311 1 3 . 1 1 90 90 LEU H H 90 7.777 7.777 8.032 -0.255 25104 2312 1 3 . 1 1 91 91 LYS N N 91 119.096 119.096 120.790 -1.694 25104 2313 1 3 . 1 1 91 91 LYS HA H 91 4.635 4.635 4.729 -0.094 25104 2314 1 3 . 1 1 91 91 LYS C C 91 177.296 177.296 176.125 1.171 25104 2315 1 3 . 1 1 91 91 LYS CA C 91 54.689 54.689 54.693 -0.004 25104 2316 1 3 . 1 1 91 91 LYS CB C 91 34.841 34.841 35.038 -0.198 25104 2317 1 3 . 1 1 91 91 LYS H H 91 8.086 8.086 8.471 -0.385 25104 2318 1 3 . 1 1 92 92 HIS N N 92 122.578 122.578 119.609 2.969 25104 2319 1 3 . 1 1 92 92 HIS HA H 92 4.408 4.408 4.646 -0.238 25104 2320 1 3 . 1 1 92 92 HIS C C 92 178.794 178.794 174.660 4.134 25104 2321 1 3 . 1 1 92 92 HIS CA C 92 56.886 56.886 56.137 0.749 25104 2322 1 3 . 1 1 92 92 HIS CB C 92 26.041 26.041 28.086 -2.045 25104 2323 1 3 . 1 1 92 92 HIS H H 92 10.736 10.736 9.036 1.700 25104 2324 1 3 . 1 1 93 93 THR N N 93 110.479 110.479 114.155 -3.676 25104 2325 1 3 . 1 1 93 93 THR HA H 93 4.056 4.056 4.389 -0.333 25104 2326 1 3 . 1 1 93 93 THR C C 93 176.456 176.456 174.302 2.154 25104 2327 1 3 . 1 1 93 93 THR CA C 93 63.324 63.324 62.265 1.059 25104 2328 1 3 . 1 1 93 93 THR CB C 93 69.416 69.416 69.073 0.343 25104 2329 1 3 . 1 1 93 93 THR H H 93 7.315 7.315 7.689 -0.374 25104 2330 1 3 . 1 1 94 94 GLY N N 94 107.272 107.272 108.974 -1.702 25104 2331 1 3 . 1 1 94 94 GLY C C 94 178.117 178.117 171.529 6.588 25104 2332 1 3 . 1 1 94 94 GLY H H 94 7.530 7.530 7.493 0.037 25104 2333 1 3 . 1 1 95 95 PRO HA H 95 3.856 3.856 4.385 -0.529 25104 2334 1 3 . 1 1 95 95 PRO CA C 95 62.687 62.687 62.386 0.301 25104 2335 1 3 . 1 1 95 95 PRO CB C 95 32.137 32.137 33.044 -0.907 25104 2336 1 3 . 1 1 96 96 GLY N N 96 110.210 110.210 109.713 0.497 25104 2337 1 3 . 1 1 96 96 GLY C C 96 174.025 174.025 174.781 -0.756 25104 2338 1 3 . 1 1 96 96 GLY CA C 96 45.068 45.068 45.377 -0.309 25104 2339 1 3 . 1 1 96 96 GLY H H 96 9.305 9.305 8.569 0.736 25104 2340 1 3 . 1 1 97 97 ILE N N 97 121.517 121.517 121.507 0.010 25104 2341 1 3 . 1 1 97 97 ILE HA H 97 4.173 4.173 4.052 0.121 25104 2342 1 3 . 1 1 97 97 ILE C C 97 174.196 174.196 174.712 -0.516 25104 2343 1 3 . 1 1 97 97 ILE CA C 97 59.398 59.398 59.996 -0.598 25104 2344 1 3 . 1 1 97 97 ILE CB C 97 37.922 37.922 35.897 2.025 25104 2345 1 3 . 1 1 97 97 ILE H H 97 6.826 6.826 7.792 -0.966 25104 2346 1 3 . 1 1 98 98 LEU N N 98 128.948 128.948 131.294 -2.346 25104 2347 1 3 . 1 1 98 98 LEU HA H 98 5.010 5.010 4.804 0.206 25104 2348 1 3 . 1 1 98 98 LEU C C 98 175.316 175.316 174.744 0.572 25104 2349 1 3 . 1 1 98 98 LEU CA C 98 53.350 53.350 53.489 -0.139 25104 2350 1 3 . 1 1 98 98 LEU CB C 98 43.813 43.813 42.878 0.935 25104 2351 1 3 . 1 1 98 98 LEU H H 98 7.907 7.907 7.855 0.052 25104 2352 1 3 . 1 1 99 99 SER N N 99 118.834 118.834 120.991 -2.157 25104 2353 1 3 . 1 1 99 99 SER HA H 99 5.346 5.346 4.842 0.504 25104 2354 1 3 . 1 1 99 99 SER C C 99 175.732 175.732 172.463 3.269 25104 2355 1 3 . 1 1 99 99 SER CA C 99 55.011 55.011 55.936 -0.925 25104 2356 1 3 . 1 1 99 99 SER CB C 99 65.370 65.370 65.416 -0.046 25104 2357 1 3 . 1 1 99 99 SER H H 99 8.307 8.307 8.386 -0.079 25104 2358 1 3 . 1 1 100 100 MET N N 100 123.079 123.079 123.401 -0.322 25104 2359 1 3 . 1 1 100 100 MET HA H 100 5.338 5.338 4.697 0.641 25104 2360 1 3 . 1 1 100 100 MET C C 100 178.920 178.920 175.590 3.330 25104 2361 1 3 . 1 1 100 100 MET CA C 100 53.853 53.853 55.263 -1.410 25104 2362 1 3 . 1 1 100 100 MET H H 100 8.563 8.563 7.896 0.667 25104 2363 1 3 . 1 1 101 101 ALA N N 101 126.225 126.225 123.409 2.816 25104 2364 1 3 . 1 1 101 101 ALA HA H 101 4.362 4.362 5.048 -0.686 25104 2365 1 3 . 1 1 101 101 ALA C C 101 176.471 176.471 176.737 -0.266 25104 2366 1 3 . 1 1 101 101 ALA CA C 101 51.743 51.743 51.380 0.363 25104 2367 1 3 . 1 1 101 101 ALA CB C 101 19.619 19.619 21.295 -1.676 25104 2368 1 3 . 1 1 101 101 ALA H H 101 8.114 8.114 8.372 -0.258 25104 2369 1 3 . 1 1 102 102 ASN N N 102 113.398 113.398 116.743 -3.345 25104 2370 1 3 . 1 1 102 102 ASN HA H 102 4.647 4.647 4.969 -0.322 25104 2371 1 3 . 1 1 102 102 ASN C C 102 174.740 174.740 173.503 1.237 25104 2372 1 3 . 1 1 102 102 ASN CA C 102 54.102 54.102 52.712 1.390 25104 2373 1 3 . 1 1 102 102 ASN CB C 102 40.597 40.597 40.053 0.544 25104 2374 1 3 . 1 1 102 102 ASN H H 102 8.062 8.062 8.759 -0.697 25104 2375 1 3 . 1 1 103 103 ALA N N 103 123.487 123.487 121.580 1.907 25104 2376 1 3 . 1 1 103 103 ALA HA H 103 4.868 4.868 4.585 0.282 25104 2377 1 3 . 1 1 103 103 ALA C C 103 177.823 177.823 176.142 1.681 25104 2378 1 3 . 1 1 103 103 ALA CA C 103 50.380 50.380 51.999 -1.619 25104 2379 1 3 . 1 1 103 103 ALA CB C 103 19.295 19.295 19.190 0.105 25104 2380 1 3 . 1 1 103 103 ALA H H 103 8.822 8.822 8.593 0.229 25104 2381 1 3 . 1 1 104 104 GLY N N 104 109.271 109.271 107.437 1.834 25104 2382 1 3 . 1 1 104 104 GLY CA C 104 43.559 43.559 44.889 -1.330 25104 2383 1 3 . 1 1 104 104 GLY H H 104 8.181 8.181 7.648 0.533 25104 2384 1 3 . 1 1 105 105 PRO HA H 105 4.385 4.385 4.457 -0.072 25104 2385 1 3 . 1 1 105 105 PRO C C 105 177.209 177.209 177.338 -0.129 25104 2386 1 3 . 1 1 105 105 PRO CA C 105 63.976 63.976 63.049 0.927 25104 2387 1 3 . 1 1 105 105 PRO CB C 105 32.136 32.136 32.054 0.082 25104 2388 1 3 . 1 1 106 106 ASN N N 106 119.146 119.146 118.004 1.142 25104 2389 1 3 . 1 1 106 106 ASN HA H 106 4.052 4.052 4.570 -0.518 25104 2390 1 3 . 1 1 106 106 ASN C C 106 175.857 175.857 175.067 0.790 25104 2391 1 3 . 1 1 106 106 ASN CA C 106 54.279 54.279 54.896 -0.617 25104 2392 1 3 . 1 1 106 106 ASN CB C 106 37.248 37.248 38.023 -0.775 25104 2393 1 3 . 1 1 106 106 ASN H H 106 8.912 8.912 9.261 -0.349 25104 2394 1 3 . 1 1 107 107 THR N N 107 110.101 110.101 112.310 -2.209 25104 2395 1 3 . 1 1 107 107 THR HA H 107 4.493 4.493 4.336 0.157 25104 2396 1 3 . 1 1 107 107 THR C C 107 174.713 174.713 174.044 0.669 25104 2397 1 3 . 1 1 107 107 THR CA C 107 60.294 60.294 62.750 -2.456 25104 2398 1 3 . 1 1 107 107 THR CB C 107 69.030 69.030 69.442 -0.412 25104 2399 1 3 . 1 1 107 107 THR H H 107 10.191 10.191 7.691 2.500 25104 2400 1 3 . 1 1 108 108 ASN N N 108 120.592 120.592 119.559 1.033 25104 2401 1 3 . 1 1 108 108 ASN HA H 108 4.210 4.210 4.855 -0.645 25104 2402 1 3 . 1 1 108 108 ASN C C 108 175.078 175.078 175.682 -0.604 25104 2403 1 3 . 1 1 108 108 ASN CA C 108 55.287 55.287 52.991 2.296 25104 2404 1 3 . 1 1 108 108 ASN CB C 108 39.036 39.036 39.393 -0.357 25104 2405 1 3 . 1 1 108 108 ASN H H 108 7.410 7.410 7.321 0.089 25104 2406 1 3 . 1 1 109 109 GLY N N 109 110.835 110.835 108.873 1.962 25104 2407 1 3 . 1 1 109 109 GLY C C 109 172.087 172.087 173.783 -1.696 25104 2408 1 3 . 1 1 109 109 GLY CA C 109 45.940 45.940 44.969 0.971 25104 2409 1 3 . 1 1 109 109 GLY H H 109 9.192 9.192 8.140 1.052 25104 2410 1 3 . 1 1 110 110 SER N N 110 117.149 117.149 118.471 -1.322 25104 2411 1 3 . 1 1 110 110 SER HA H 110 4.751 4.751 4.858 -0.107 25104 2412 1 3 . 1 1 110 110 SER C C 110 177.075 177.075 174.435 2.640 25104 2413 1 3 . 1 1 110 110 SER CA C 110 57.526 57.526 57.252 0.274 25104 2414 1 3 . 1 1 110 110 SER CB C 110 66.180 66.180 63.907 2.273 25104 2415 1 3 . 1 1 110 110 SER H H 110 8.793 8.793 7.404 1.389 25104 2416 1 3 . 1 1 111 111 GLN N N 111 124.594 124.594 120.163 4.431 25104 2417 1 3 . 1 1 111 111 GLN HA H 111 4.225 4.225 4.058 0.167 25104 2418 1 3 . 1 1 111 111 GLN C C 111 179.174 179.174 174.986 4.188 25104 2419 1 3 . 1 1 111 111 GLN CA C 111 58.144 58.144 57.182 0.962 25104 2420 1 3 . 1 1 111 111 GLN CB C 111 31.558 31.558 28.009 3.550 25104 2421 1 3 . 1 1 111 111 GLN H H 111 8.438 8.438 8.377 0.061 25104 2422 1 3 . 1 1 112 112 PHE N N 112 118.008 118.008 114.598 3.410 25104 2423 1 3 . 1 1 112 112 PHE HA H 112 5.806 5.806 5.450 0.356 25104 2424 1 3 . 1 1 112 112 PHE C C 112 172.840 172.840 173.260 -0.420 25104 2425 1 3 . 1 1 112 112 PHE CA C 112 55.584 55.584 55.706 -0.122 25104 2426 1 3 . 1 1 112 112 PHE CB C 112 43.323 43.323 42.885 0.438 25104 2427 1 3 . 1 1 112 112 PHE H H 112 8.120 8.120 7.995 0.125 25104 2428 1 3 . 1 1 113 113 PHE N N 113 116.406 116.406 114.661 1.745 25104 2429 1 3 . 1 1 113 113 PHE HA H 113 5.739 5.739 5.516 0.223 25104 2430 1 3 . 1 1 113 113 PHE C C 113 175.349 175.349 173.118 2.231 25104 2431 1 3 . 1 1 113 113 PHE CA C 113 54.684 54.684 55.889 -1.205 25104 2432 1 3 . 1 1 113 113 PHE CB C 113 42.825 42.825 42.578 0.247 25104 2433 1 3 . 1 1 113 113 PHE H H 113 9.832 9.832 8.751 1.081 25104 2434 1 3 . 1 1 114 114 ILE N N 114 118.683 118.683 119.742 -1.059 25104 2435 1 3 . 1 1 114 114 ILE HA H 114 4.842 4.842 4.655 0.187 25104 2436 1 3 . 1 1 114 114 ILE C C 114 178.414 178.414 175.686 2.728 25104 2437 1 3 . 1 1 114 114 ILE CA C 114 60.265 60.265 59.877 0.388 25104 2438 1 3 . 1 1 114 114 ILE CB C 114 40.466 40.466 39.768 0.698 25104 2439 1 3 . 1 1 114 114 ILE H H 114 9.156 9.156 8.640 0.516 25104 2440 1 3 . 1 1 115 115 CYS N N 115 125.524 125.524 129.132 -3.608 25104 2441 1 3 . 1 1 115 115 CYS HA H 115 4.808 4.808 4.839 -0.031 25104 2442 1 3 . 1 1 115 115 CYS C C 115 177.658 177.658 176.443 1.215 25104 2443 1 3 . 1 1 115 115 CYS CA C 115 60.803 60.803 57.640 3.163 25104 2444 1 3 . 1 1 115 115 CYS CB C 115 28.723 28.723 26.323 2.400 25104 2445 1 3 . 1 1 115 115 CYS H H 115 9.616 9.616 8.964 0.652 25104 2446 1 3 . 1 1 116 116 THR N N 116 115.801 115.801 117.397 -1.596 25104 2447 1 3 . 1 1 116 116 THR HA H 116 4.380 4.380 4.136 0.244 25104 2448 1 3 . 1 1 116 116 THR C C 116 178.496 178.496 174.410 4.086 25104 2449 1 3 . 1 1 116 116 THR CA C 116 60.844 60.844 64.288 -3.444 25104 2450 1 3 . 1 1 116 116 THR CB C 116 66.730 66.730 69.005 -2.275 25104 2451 1 3 . 1 1 116 116 THR H H 116 8.990 8.990 8.380 0.610 25104 2452 1 3 . 1 1 117 117 ALA N N 117 122.356 122.356 124.865 -2.509 25104 2453 1 3 . 1 1 117 117 ALA HA H 117 4.420 4.420 4.564 -0.144 25104 2454 1 3 . 1 1 117 117 ALA C C 117 176.114 176.114 176.337 -0.223 25104 2455 1 3 . 1 1 117 117 ALA CA C 117 50.668 50.668 50.634 0.034 25104 2456 1 3 . 1 1 117 117 ALA CB C 117 22.795 22.795 20.607 2.188 25104 2457 1 3 . 1 1 117 117 ALA H H 117 7.641 7.641 7.340 0.301 25104 2458 1 3 . 1 1 118 118 LYS N N 118 119.855 119.855 121.725 -1.870 25104 2459 1 3 . 1 1 118 118 LYS HA H 118 3.840 3.840 4.359 -0.519 25104 2460 1 3 . 1 1 118 118 LYS C C 118 177.211 177.211 176.615 0.596 25104 2461 1 3 . 1 1 118 118 LYS CA C 118 57.913 57.913 55.994 1.919 25104 2462 1 3 . 1 1 118 118 LYS CB C 118 32.708 32.708 29.965 2.743 25104 2463 1 3 . 1 1 118 118 LYS H H 118 8.693 8.693 8.561 0.132 25104 2464 1 3 . 1 1 119 119 THR N N 119 119.004 119.004 115.533 3.471 25104 2465 1 3 . 1 1 119 119 THR HA H 119 3.730 3.730 3.526 0.204 25104 2466 1 3 . 1 1 119 119 THR C C 119 177.928 177.928 175.023 2.905 25104 2467 1 3 . 1 1 119 119 THR CA C 119 57.301 57.301 60.287 -2.986 25104 2468 1 3 . 1 1 119 119 THR CB C 119 68.717 68.717 67.983 0.735 25104 2469 1 3 . 1 1 119 119 THR H H 119 7.373 7.373 8.078 -0.705 25104 2470 1 3 . 1 1 120 120 GLU N N 120 124.713 124.713 124.273 0.440 25104 2471 1 3 . 1 1 120 120 GLU HA H 120 4.162 4.162 4.096 0.066 25104 2472 1 3 . 1 1 120 120 GLU C C 120 178.190 178.190 177.710 0.480 25104 2473 1 3 . 1 1 120 120 GLU CA C 120 59.334 59.334 58.546 0.788 25104 2474 1 3 . 1 1 120 120 GLU CB C 120 29.322 29.322 29.175 0.147 25104 2475 1 3 . 1 1 120 120 GLU H H 120 9.139 9.139 7.918 1.221 25104 2476 1 3 . 1 1 121 121 TRP N N 121 117.782 117.782 117.125 0.657 25104 2477 1 3 . 1 1 121 121 TRP HA H 121 4.716 4.716 4.604 0.112 25104 2478 1 3 . 1 1 121 121 TRP C C 121 177.244 177.244 176.018 1.226 25104 2479 1 3 . 1 1 121 121 TRP CA C 121 59.748 59.748 57.148 2.600 25104 2480 1 3 . 1 1 121 121 TRP CB C 121 26.947 26.947 28.426 -1.479 25104 2481 1 3 . 1 1 121 121 TRP H H 121 7.297 7.297 7.799 -0.502 25104 2482 1 3 . 1 1 122 122 LEU N N 122 119.806 119.806 118.813 0.993 25104 2483 1 3 . 1 1 122 122 LEU HA H 122 4.315 4.315 4.363 -0.048 25104 2484 1 3 . 1 1 122 122 LEU C C 122 173.304 173.304 175.999 -2.695 25104 2485 1 3 . 1 1 122 122 LEU CA C 122 54.543 54.543 53.964 0.579 25104 2486 1 3 . 1 1 122 122 LEU CB C 122 39.075 39.075 41.008 -1.933 25104 2487 1 3 . 1 1 122 122 LEU H H 122 7.037 7.037 7.132 -0.095 25104 2488 1 3 . 1 1 123 123 ASP N N 123 122.205 122.205 120.664 1.541 25104 2489 1 3 . 1 1 123 123 ASP HA H 123 5.222 5.222 4.842 0.380 25104 2490 1 3 . 1 1 123 123 ASP C C 123 179.276 179.276 177.113 2.163 25104 2491 1 3 . 1 1 123 123 ASP CA C 123 55.889 55.889 54.943 0.946 25104 2492 1 3 . 1 1 123 123 ASP CB C 123 39.517 39.517 41.396 -1.879 25104 2493 1 3 . 1 1 123 123 ASP H H 123 7.643 7.643 7.505 0.138 25104 2494 1 3 . 1 1 124 124 GLY N N 124 111.205 111.205 108.029 3.176 25104 2495 1 3 . 1 1 124 124 GLY C C 124 173.148 173.148 173.828 -0.680 25104 2496 1 3 . 1 1 124 124 GLY CA C 124 45.114 45.114 45.673 -0.559 25104 2497 1 3 . 1 1 124 124 GLY H H 124 9.550 9.550 8.756 0.794 25104 2498 1 3 . 1 1 125 125 LYS N N 125 115.408 115.408 117.213 -1.805 25104 2499 1 3 . 1 1 125 125 LYS HA H 125 4.173 4.173 4.717 -0.544 25104 2500 1 3 . 1 1 125 125 LYS C C 125 176.351 176.351 174.937 1.414 25104 2501 1 3 . 1 1 125 125 LYS CA C 125 56.341 56.341 54.066 2.275 25104 2502 1 3 . 1 1 125 125 LYS CB C 125 35.504 35.504 35.403 0.101 25104 2503 1 3 . 1 1 125 125 LYS H H 125 7.765 7.765 7.691 0.074 25104 2504 1 3 . 1 1 126 126 HIS N N 126 119.526 119.526 118.235 1.291 25104 2505 1 3 . 1 1 126 126 HIS HA H 126 4.863 4.863 4.879 -0.016 25104 2506 1 3 . 1 1 126 126 HIS C C 126 174.784 174.784 176.605 -1.821 25104 2507 1 3 . 1 1 126 126 HIS CA C 126 54.923 54.923 54.827 0.096 25104 2508 1 3 . 1 1 126 126 HIS CB C 126 31.675 31.675 28.837 2.838 25104 2509 1 3 . 1 1 126 126 HIS H H 126 7.600 7.600 8.420 -0.820 25104 2510 1 3 . 1 1 127 127 VAL N N 127 125.009 125.009 123.904 1.105 25104 2511 1 3 . 1 1 127 127 VAL HA H 127 4.307 4.307 3.893 0.414 25104 2512 1 3 . 1 1 127 127 VAL C C 127 176.442 176.442 176.598 -0.156 25104 2513 1 3 . 1 1 127 127 VAL CA C 127 63.893 63.893 64.067 -0.174 25104 2514 1 3 . 1 1 127 127 VAL CB C 127 33.553 33.553 31.505 2.048 25104 2515 1 3 . 1 1 127 127 VAL H H 127 8.523 8.523 7.973 0.550 25104 2516 1 3 . 1 1 128 128 VAL N N 128 133.065 133.065 126.931 6.134 25104 2517 1 3 . 1 1 128 128 VAL HA H 128 4.176 4.176 3.695 0.481 25104 2518 1 3 . 1 1 128 128 VAL C C 128 176.113 176.113 175.484 0.629 25104 2519 1 3 . 1 1 128 128 VAL CA C 128 63.172 63.172 63.651 -0.479 25104 2520 1 3 . 1 1 128 128 VAL CB C 128 31.612 31.612 32.107 -0.495 25104 2521 1 3 . 1 1 128 128 VAL H H 128 9.474 9.474 8.058 1.416 25104 2522 1 3 . 1 1 129 129 PHE N N 129 117.892 117.892 119.393 -1.501 25104 2523 1 3 . 1 1 129 129 PHE HA H 129 5.308 5.308 4.986 0.322 25104 2524 1 3 . 1 1 129 129 PHE C C 129 173.725 173.725 173.976 -0.251 25104 2525 1 3 . 1 1 129 129 PHE CA C 129 55.969 55.969 56.880 -0.911 25104 2526 1 3 . 1 1 129 129 PHE CB C 129 42.581 42.581 40.454 2.127 25104 2527 1 3 . 1 1 129 129 PHE H H 129 8.138 8.138 8.137 0.001 25104 2528 1 3 . 1 1 130 130 GLY N N 130 110.747 110.747 106.252 4.495 25104 2529 1 3 . 1 1 130 130 GLY C C 130 171.591 171.591 172.085 -0.494 25104 2530 1 3 . 1 1 130 130 GLY CA C 130 46.505 46.505 43.094 3.411 25104 2531 1 3 . 1 1 130 130 GLY H H 130 7.356 7.356 7.159 0.197 25104 2532 1 3 . 1 1 131 131 LYS N N 131 115.453 115.453 121.689 -6.236 25104 2533 1 3 . 1 1 131 131 LYS HA H 131 5.246 5.246 4.831 0.415 25104 2534 1 3 . 1 1 131 131 LYS C C 131 176.109 176.109 174.908 1.201 25104 2535 1 3 . 1 1 131 131 LYS CA C 131 54.887 54.887 55.508 -0.621 25104 2536 1 3 . 1 1 131 131 LYS CB C 131 36.077 36.077 36.849 -0.772 25104 2537 1 3 . 1 1 131 131 LYS H H 131 8.390 8.390 7.946 0.444 25104 2538 1 3 . 1 1 132 132 VAL N N 132 124.311 124.311 129.335 -5.024 25104 2539 1 3 . 1 1 132 132 VAL HA H 132 3.955 3.955 4.054 -0.099 25104 2540 1 3 . 1 1 132 132 VAL C C 132 176.489 176.489 175.772 0.717 25104 2541 1 3 . 1 1 132 132 VAL CA C 132 64.284 64.284 63.261 1.023 25104 2542 1 3 . 1 1 132 132 VAL CB C 132 32.709 32.709 32.141 0.568 25104 2543 1 3 . 1 1 132 132 VAL H H 132 9.071 9.071 8.489 0.582 25104 2544 1 3 . 1 1 133 133 LYS N N 133 131.670 131.670 128.589 3.081 25104 2545 1 3 . 1 1 133 133 LYS HA H 133 4.483 4.483 4.262 0.221 25104 2546 1 3 . 1 1 133 133 LYS C C 133 176.283 176.283 176.699 -0.416 25104 2547 1 3 . 1 1 133 133 LYS CA C 133 56.978 56.978 57.873 -0.895 25104 2548 1 3 . 1 1 133 133 LYS CB C 133 34.028 34.028 33.005 1.023 25104 2549 1 3 . 1 1 133 133 LYS H H 133 9.494 9.494 8.354 1.140 25104 2550 1 3 . 1 1 134 134 GLU N N 134 118.417 118.417 118.864 -0.447 25104 2551 1 3 . 1 1 134 134 GLU HA H 134 4.639 4.639 4.478 0.161 25104 2552 1 3 . 1 1 134 134 GLU C C 134 175.925 175.925 175.296 0.629 25104 2553 1 3 . 1 1 134 134 GLU CA C 134 55.235 55.235 55.855 -0.620 25104 2554 1 3 . 1 1 134 134 GLU CB C 134 32.909 32.909 32.655 0.254 25104 2555 1 3 . 1 1 134 134 GLU H H 134 7.571 7.571 7.489 0.082 25104 2556 1 3 . 1 1 135 135 GLY N N 135 108.109 108.109 110.604 -2.495 25104 2557 1 3 . 1 1 135 135 GLY C C 135 178.060 178.060 175.155 2.905 25104 2558 1 3 . 1 1 135 135 GLY CA C 135 46.195 46.195 45.501 0.694 25104 2559 1 3 . 1 1 135 135 GLY H H 135 8.695 8.695 8.861 -0.166 25104 2560 1 3 . 1 1 136 136 MET N N 136 122.582 122.582 119.329 3.253 25104 2561 1 3 . 1 1 136 136 MET HA H 136 4.496 4.496 4.067 0.429 25104 2562 1 3 . 1 1 136 136 MET C C 136 178.649 178.649 176.776 1.873 25104 2563 1 3 . 1 1 136 136 MET CA C 136 56.829 56.829 56.970 -0.141 25104 2564 1 3 . 1 1 136 136 MET CB C 136 30.215 30.215 32.361 -2.146 25104 2565 1 3 . 1 1 136 136 MET H H 136 8.854 8.854 8.507 0.347 25104 2566 1 3 . 1 1 137 137 ASN N N 137 114.457 114.457 117.014 -2.557 25104 2567 1 3 . 1 1 137 137 ASN HA H 137 4.504 4.504 4.603 -0.099 25104 2568 1 3 . 1 1 137 137 ASN C C 137 178.441 178.441 177.753 0.688 25104 2569 1 3 . 1 1 137 137 ASN CA C 137 55.819 55.819 56.319 -0.500 25104 2570 1 3 . 1 1 137 137 ASN CB C 137 36.016 36.016 37.528 -1.512 25104 2571 1 3 . 1 1 137 137 ASN H H 137 8.932 8.932 8.726 0.206 25104 2572 1 3 . 1 1 138 138 ILE N N 138 124.190 124.190 119.435 4.755 25104 2573 1 3 . 1 1 138 138 ILE HA H 138 3.800 3.800 3.917 -0.117 25104 2574 1 3 . 1 1 138 138 ILE C C 138 178.595 178.595 177.550 1.045 25104 2575 1 3 . 1 1 138 138 ILE CA C 138 61.581 61.581 62.669 -1.088 25104 2576 1 3 . 1 1 138 138 ILE CB C 138 34.468 34.468 36.885 -2.417 25104 2577 1 3 . 1 1 138 138 ILE H H 138 7.686 7.686 7.288 0.398 25104 2578 1 3 . 1 1 139 139 VAL N N 139 121.912 121.912 121.187 0.725 25104 2579 1 3 . 1 1 139 139 VAL HA H 139 3.879 3.879 3.636 0.243 25104 2580 1 3 . 1 1 139 139 VAL C C 139 179.051 179.051 177.998 1.053 25104 2581 1 3 . 1 1 139 139 VAL CA C 139 66.206 66.206 67.461 -1.255 25104 2582 1 3 . 1 1 139 139 VAL CB C 139 31.195 31.195 31.208 -0.013 25104 2583 1 3 . 1 1 139 139 VAL H H 139 7.286 7.286 7.526 -0.240 25104 2584 1 3 . 1 1 140 140 GLU N N 140 117.357 117.357 118.639 -1.282 25104 2585 1 3 . 1 1 140 140 GLU HA H 140 4.095 4.095 3.958 0.137 25104 2586 1 3 . 1 1 140 140 GLU C C 140 180.486 180.486 178.376 2.110 25104 2587 1 3 . 1 1 140 140 GLU CA C 140 59.336 59.336 59.006 0.330 25104 2588 1 3 . 1 1 140 140 GLU CB C 140 30.199 30.199 29.340 0.859 25104 2589 1 3 . 1 1 140 140 GLU H H 140 8.309 8.309 7.970 0.339 25104 2590 1 3 . 1 1 141 141 ALA N N 141 121.133 121.133 122.149 -1.016 25104 2591 1 3 . 1 1 141 141 ALA HA H 141 4.118 4.118 4.054 0.064 25104 2592 1 3 . 1 1 141 141 ALA C C 141 181.524 181.524 179.948 1.576 25104 2593 1 3 . 1 1 141 141 ALA CA C 141 54.771 54.771 54.860 -0.089 25104 2594 1 3 . 1 1 141 141 ALA CB C 141 18.207 18.207 18.494 -0.287 25104 2595 1 3 . 1 1 141 141 ALA H H 141 7.539 7.539 7.633 -0.094 25104 2596 1 3 . 1 1 142 142 MET N N 142 117.513 117.513 116.863 0.650 25104 2597 1 3 . 1 1 142 142 MET HA H 142 3.993 3.993 4.500 -0.507 25104 2598 1 3 . 1 1 142 142 MET C C 142 178.862 178.862 178.634 0.228 25104 2599 1 3 . 1 1 142 142 MET CA C 142 59.678 59.678 58.797 0.881 25104 2600 1 3 . 1 1 142 142 MET CB C 142 33.723 33.723 32.213 1.510 25104 2601 1 3 . 1 1 142 142 MET H H 142 8.284 8.284 8.284 -0.000 25104 2602 1 3 . 1 1 143 143 GLU N N 143 116.365 116.365 120.422 -4.057 25104 2603 1 3 . 1 1 143 143 GLU HA H 143 3.772 3.772 4.089 -0.317 25104 2604 1 3 . 1 1 143 143 GLU C C 143 179.051 179.051 178.926 0.125 25104 2605 1 3 . 1 1 143 143 GLU CA C 143 59.345 59.345 59.043 0.302 25104 2606 1 3 . 1 1 143 143 GLU CB C 143 30.470 30.470 29.446 1.024 25104 2607 1 3 . 1 1 143 143 GLU H H 143 7.853 7.853 8.144 -0.291 25104 2608 1 3 . 1 1 144 144 ARG N N 144 114.753 114.753 117.565 -2.812 25104 2609 1 3 . 1 1 144 144 ARG HA H 144 3.978 3.978 4.147 -0.169 25104 2610 1 3 . 1 1 144 144 ARG C C 144 178.222 178.222 177.424 0.798 25104 2611 1 3 . 1 1 144 144 ARG CA C 144 57.669 57.669 57.152 0.517 25104 2612 1 3 . 1 1 144 144 ARG CB C 144 29.523 29.523 30.259 -0.736 25104 2613 1 3 . 1 1 144 144 ARG H H 144 7.082 7.082 7.386 -0.304 25104 2614 1 3 . 1 1 145 145 PHE N N 145 115.388 115.388 118.022 -2.634 25104 2615 1 3 . 1 1 145 145 PHE HA H 145 4.851 4.851 4.537 0.314 25104 2616 1 3 . 1 1 145 145 PHE C C 145 176.868 176.868 175.288 1.580 25104 2617 1 3 . 1 1 145 145 PHE CA C 145 57.717 57.717 58.268 -0.551 25104 2618 1 3 . 1 1 145 145 PHE CB C 145 38.998 38.998 38.550 0.448 25104 2619 1 3 . 1 1 145 145 PHE H H 145 7.651 7.651 7.386 0.265 25104 2620 1 3 . 1 1 146 146 GLY N N 146 104.842 104.842 107.498 -2.656 25104 2621 1 3 . 1 1 146 146 GLY C C 146 172.946 172.946 173.714 -0.768 25104 2622 1 3 . 1 1 146 146 GLY CA C 146 44.065 44.065 44.186 -0.121 25104 2623 1 3 . 1 1 146 146 GLY H H 146 7.551 7.551 7.482 0.069 25104 2624 1 3 . 1 1 147 147 SER N N 147 110.079 110.079 112.933 -2.854 25104 2625 1 3 . 1 1 147 147 SER HA H 147 4.813 4.813 4.820 -0.007 25104 2626 1 3 . 1 1 147 147 SER C C 147 176.384 176.384 175.493 0.891 25104 2627 1 3 . 1 1 147 147 SER CA C 147 58.165 58.165 57.085 1.080 25104 2628 1 3 . 1 1 147 147 SER CB C 147 65.804 65.804 66.466 -0.662 25104 2629 1 3 . 1 1 147 147 SER H H 147 8.229 8.229 8.100 0.129 25104 2630 1 3 . 1 1 148 148 ARG N N 148 120.299 120.299 122.075 -1.776 25104 2631 1 3 . 1 1 148 148 ARG HA H 148 4.221 4.221 4.184 0.037 25104 2632 1 3 . 1 1 148 148 ARG C C 148 177.709 177.709 176.527 1.182 25104 2633 1 3 . 1 1 148 148 ARG CA C 148 59.810 59.810 58.326 1.484 25104 2634 1 3 . 1 1 148 148 ARG CB C 148 29.896 29.896 29.782 0.114 25104 2635 1 3 . 1 1 148 148 ARG H H 148 8.850 8.850 8.793 0.057 25104 2636 1 3 . 1 1 149 149 ASN N N 149 111.689 111.689 115.290 -3.601 25104 2637 1 3 . 1 1 149 149 ASN HA H 149 4.901 4.901 4.662 0.239 25104 2638 1 3 . 1 1 149 149 ASN C C 149 177.708 177.708 176.075 1.633 25104 2639 1 3 . 1 1 149 149 ASN CA C 149 52.305 52.305 52.892 -0.587 25104 2640 1 3 . 1 1 149 149 ASN CB C 149 38.477 38.477 37.828 0.649 25104 2641 1 3 . 1 1 149 149 ASN H H 149 7.891 7.891 8.042 -0.151 25104 2642 1 3 . 1 1 150 150 GLY N N 150 110.138 110.138 107.528 2.610 25104 2643 1 3 . 1 1 150 150 GLY C C 150 174.368 174.368 173.954 0.414 25104 2644 1 3 . 1 1 150 150 GLY CA C 150 45.257 45.257 44.623 0.634 25104 2645 1 3 . 1 1 150 150 GLY H H 150 8.087 8.087 7.840 0.247 25104 2646 1 3 . 1 1 151 151 LYS N N 151 119.859 119.859 123.667 -3.808 25104 2647 1 3 . 1 1 151 151 LYS HA H 151 4.466 4.466 4.374 0.092 25104 2648 1 3 . 1 1 151 151 LYS C C 151 179.533 179.533 176.043 3.490 25104 2649 1 3 . 1 1 151 151 LYS CA C 151 57.088 57.088 56.635 0.453 25104 2650 1 3 . 1 1 151 151 LYS CB C 151 32.435 32.435 33.559 -1.124 25104 2651 1 3 . 1 1 151 151 LYS H H 151 7.534 7.534 8.082 -0.548 25104 2652 1 3 . 1 1 152 152 THR N N 152 116.442 116.442 118.128 -1.686 25104 2653 1 3 . 1 1 152 152 THR HA H 152 5.579 5.579 4.528 1.051 25104 2654 1 3 . 1 1 152 152 THR C C 152 176.969 176.969 174.663 2.306 25104 2655 1 3 . 1 1 152 152 THR CA C 152 60.097 60.097 61.651 -1.554 25104 2656 1 3 . 1 1 152 152 THR CB C 152 71.324 71.324 68.757 2.567 25104 2657 1 3 . 1 1 152 152 THR H H 152 8.837 8.837 8.709 0.128 25104 2658 1 3 . 1 1 153 153 SER N N 153 117.113 117.113 120.283 -3.170 25104 2659 1 3 . 1 1 153 153 SER HA H 153 4.574 4.574 4.358 0.216 25104 2660 1 3 . 1 1 153 153 SER C C 153 175.737 175.737 175.134 0.603 25104 2661 1 3 . 1 1 153 153 SER CA C 153 58.222 58.222 60.727 -2.505 25104 2662 1 3 . 1 1 153 153 SER CB C 153 63.922 63.922 63.484 0.438 25104 2663 1 3 . 1 1 153 153 SER H H 153 9.424 9.424 8.618 0.806 25104 2664 1 3 . 1 1 154 154 LYS N N 154 119.347 119.347 119.930 -0.583 25104 2665 1 3 . 1 1 154 154 LYS HA H 154 4.594 4.594 4.569 0.025 25104 2666 1 3 . 1 1 154 154 LYS C C 154 175.436 175.436 175.734 -0.298 25104 2667 1 3 . 1 1 154 154 LYS CA C 154 54.578 54.578 53.834 0.744 25104 2668 1 3 . 1 1 154 154 LYS CB C 154 38.443 38.443 33.662 4.781 25104 2669 1 3 . 1 1 154 154 LYS H H 154 7.566 7.566 7.382 0.184 25104 2670 1 3 . 1 1 155 155 LYS N N 155 121.869 121.869 123.983 -2.114 25104 2671 1 3 . 1 1 155 155 LYS HA H 155 4.348 4.348 4.374 -0.026 25104 2672 1 3 . 1 1 155 155 LYS C C 155 176.946 176.946 175.828 1.118 25104 2673 1 3 . 1 1 155 155 LYS CA C 155 56.325 56.325 55.339 0.986 25104 2674 1 3 . 1 1 155 155 LYS CB C 155 32.136 32.136 31.085 1.051 25104 2675 1 3 . 1 1 155 155 LYS H H 155 8.820 8.820 8.485 0.335 25104 2676 1 3 . 1 1 156 156 ILE N N 156 134.145 134.145 128.778 5.367 25104 2677 1 3 . 1 1 156 156 ILE HA H 156 5.134 5.134 4.850 0.284 25104 2678 1 3 . 1 1 156 156 ILE C C 156 177.451 177.451 175.276 2.175 25104 2679 1 3 . 1 1 156 156 ILE CA C 156 59.538 59.538 60.766 -1.228 25104 2680 1 3 . 1 1 156 156 ILE CB C 156 37.167 37.167 38.122 -0.955 25104 2681 1 3 . 1 1 156 156 ILE H H 156 9.609 9.609 7.950 1.659 25104 2682 1 3 . 1 1 157 157 THR N N 157 117.447 117.447 117.668 -0.221 25104 2683 1 3 . 1 1 157 157 THR HA H 157 5.311 5.311 5.382 -0.071 25104 2684 1 3 . 1 1 157 157 THR C C 157 174.572 174.572 174.562 0.010 25104 2685 1 3 . 1 1 157 157 THR CA C 157 59.679 59.679 59.572 0.107 25104 2686 1 3 . 1 1 157 157 THR CB C 157 72.708 72.708 72.090 0.618 25104 2687 1 3 . 1 1 157 157 THR H H 157 9.281 9.281 9.056 0.225 25104 2688 1 3 . 1 1 158 158 ILE N N 158 121.950 121.950 125.141 -3.191 25104 2689 1 3 . 1 1 158 158 ILE HA H 158 4.293 4.293 4.314 -0.021 25104 2690 1 3 . 1 1 158 158 ILE C C 158 175.631 175.631 176.284 -0.653 25104 2691 1 3 . 1 1 158 158 ILE CA C 158 60.992 60.992 62.221 -1.229 25104 2692 1 3 . 1 1 158 158 ILE CB C 158 36.826 36.826 36.457 0.369 25104 2693 1 3 . 1 1 158 158 ILE H H 158 8.624 8.624 8.836 -0.212 25104 2694 1 3 . 1 1 159 159 ALA N N 159 132.727 132.727 131.246 1.481 25104 2695 1 3 . 1 1 159 159 ALA HA H 159 4.179 4.179 3.993 0.186 25104 2696 1 3 . 1 1 159 159 ALA C C 159 179.489 179.489 176.940 2.549 25104 2697 1 3 . 1 1 159 159 ALA CA C 159 54.243 54.243 55.080 -0.837 25104 2698 1 3 . 1 1 159 159 ALA CB C 159 18.804 18.804 19.253 -0.449 25104 2699 1 3 . 1 1 159 159 ALA H H 159 8.910 8.910 8.732 0.178 25104 2700 1 3 . 1 1 160 160 ASP N N 160 111.561 111.561 112.886 -1.325 25104 2701 1 3 . 1 1 160 160 ASP HA H 160 4.937 4.937 5.075 -0.138 25104 2702 1 3 . 1 1 160 160 ASP C C 160 173.920 173.920 174.595 -0.675 25104 2703 1 3 . 1 1 160 160 ASP CA C 160 52.873 52.873 53.434 -0.561 25104 2704 1 3 . 1 1 160 160 ASP CB C 160 43.620 43.620 45.203 -1.583 25104 2705 1 3 . 1 1 160 160 ASP H H 160 8.107 8.107 7.820 0.287 25104 2706 1 3 . 1 1 161 161 CYS N N 161 116.145 116.145 116.220 -0.075 25104 2707 1 3 . 1 1 161 161 CYS HA H 161 4.626 4.626 5.618 -0.992 25104 2708 1 3 . 1 1 161 161 CYS C C 161 173.426 173.426 174.499 -1.073 25104 2709 1 3 . 1 1 161 161 CYS CA C 161 55.518 55.518 55.947 -0.428 25104 2710 1 3 . 1 1 161 161 CYS CB C 161 31.463 31.463 31.529 -0.066 25104 2711 1 3 . 1 1 161 161 CYS H H 161 8.640 8.640 8.614 0.026 25104 2712 1 3 . 1 1 162 162 GLY N N 162 104.114 104.114 108.304 -4.190 25104 2713 1 3 . 1 1 162 162 GLY C C 162 171.116 171.116 173.457 -2.341 25104 2714 1 3 . 1 1 162 162 GLY CA C 162 45.436 45.436 44.975 0.461 25104 2715 1 3 . 1 1 162 162 GLY H H 162 6.889 6.889 8.538 -1.649 25104 2716 1 3 . 1 1 163 163 GLN N N 163 121.022 121.022 118.550 2.472 25104 2717 1 3 . 1 1 163 163 GLN HA H 163 5.150 5.150 4.193 0.957 25104 2718 1 3 . 1 1 163 163 GLN C C 163 176.548 176.548 174.887 1.661 25104 2719 1 3 . 1 1 163 163 GLN CA C 163 54.794 54.794 55.810 -1.016 25104 2720 1 3 . 1 1 163 163 GLN CB C 163 30.765 30.765 29.348 1.417 25104 2721 1 3 . 1 1 163 163 GLN H H 163 9.062 9.062 7.889 1.173 25104 2722 1 3 . 1 1 164 164 LEU N N 164 126.034 126.034 124.734 1.300 25104 2723 1 3 . 1 1 164 164 LEU HA H 164 4.641 4.641 4.366 0.275 25104 2724 1 3 . 1 1 164 164 LEU C C 164 177.108 177.108 175.919 1.189 25104 2725 1 3 . 1 1 164 164 LEU CA C 164 55.036 55.036 54.696 0.340 25104 2726 1 3 . 1 1 164 164 LEU CB C 164 43.560 43.560 40.943 2.618 25104 2727 1 3 . 1 1 164 164 LEU H H 164 8.639 8.639 8.140 0.499 25104 2728 1 4 . 1 1 2 2 VAL N N 2 111.261 111.261 121.385 -10.124 25104 2729 1 4 . 1 1 2 2 VAL HA H 2 4.126 4.126 4.122 0.004 25104 2730 1 4 . 1 1 2 2 VAL C C 2 176.404 176.404 175.337 1.067 25104 2731 1 4 . 1 1 2 2 VAL CA C 2 61.417 61.417 63.064 -1.647 25104 2732 1 4 . 1 1 2 2 VAL CB C 2 33.763 33.763 32.201 1.562 25104 2733 1 4 . 1 1 2 2 VAL H H 2 8.447 8.447 8.297 0.150 25104 2734 1 4 . 1 1 3 3 ASN N N 3 126.056 126.056 119.379 6.677 25104 2735 1 4 . 1 1 3 3 ASN HA H 3 5.205 5.205 4.883 0.322 25104 2736 1 4 . 1 1 3 3 ASN CA C 3 50.987 50.987 51.346 -0.359 25104 2737 1 4 . 1 1 3 3 ASN CB C 3 38.031 38.031 38.789 -0.758 25104 2738 1 4 . 1 1 3 3 ASN H H 3 8.666 8.666 8.026 0.640 25104 2739 1 4 . 1 1 4 4 PRO HA H 4 4.818 4.818 4.379 0.439 25104 2740 1 4 . 1 1 4 4 PRO C C 4 176.242 176.242 176.275 -0.033 25104 2741 1 4 . 1 1 4 4 PRO CA C 4 62.832 62.832 63.070 -0.238 25104 2742 1 4 . 1 1 4 4 PRO CB C 4 33.162 33.162 31.934 1.228 25104 2743 1 4 . 1 1 5 5 THR N N 5 115.265 115.265 120.811 -5.546 25104 2744 1 4 . 1 1 5 5 THR HA H 5 5.759 5.759 5.139 0.620 25104 2745 1 4 . 1 1 5 5 THR C C 5 176.483 176.483 174.271 2.212 25104 2746 1 4 . 1 1 5 5 THR CA C 5 60.867 60.867 61.886 -1.019 25104 2747 1 4 . 1 1 5 5 THR CB C 5 71.050 71.050 70.290 0.760 25104 2748 1 4 . 1 1 5 5 THR H H 5 8.787 8.787 7.971 0.816 25104 2749 1 4 . 1 1 6 6 VAL N N 6 120.640 120.640 121.693 -1.053 25104 2750 1 4 . 1 1 6 6 VAL HA H 6 5.379 5.379 4.443 0.936 25104 2751 1 4 . 1 1 6 6 VAL C C 6 174.710 174.710 173.662 1.048 25104 2752 1 4 . 1 1 6 6 VAL CA C 6 58.881 58.881 60.967 -2.086 25104 2753 1 4 . 1 1 6 6 VAL CB C 6 36.180 36.180 33.120 3.060 25104 2754 1 4 . 1 1 6 6 VAL H H 6 8.805 8.805 8.746 0.059 25104 2755 1 4 . 1 1 7 7 PHE N N 7 119.359 119.359 127.057 -7.698 25104 2756 1 4 . 1 1 7 7 PHE HA H 7 5.948 5.948 5.142 0.806 25104 2757 1 4 . 1 1 7 7 PHE C C 7 173.634 173.634 173.754 -0.120 25104 2758 1 4 . 1 1 7 7 PHE CA C 7 55.925 55.925 56.210 -0.285 25104 2759 1 4 . 1 1 7 7 PHE CB C 7 43.166 43.166 42.047 1.119 25104 2760 1 4 . 1 1 7 7 PHE H H 7 8.995 8.995 8.356 0.639 25104 2761 1 4 . 1 1 8 8 PHE N N 8 117.097 117.097 123.478 -6.381 25104 2762 1 4 . 1 1 8 8 PHE HA H 8 5.367 5.367 5.027 0.340 25104 2763 1 4 . 1 1 8 8 PHE C C 8 176.000 176.000 174.041 1.959 25104 2764 1 4 . 1 1 8 8 PHE CA C 8 53.460 53.460 56.051 -2.591 25104 2765 1 4 . 1 1 8 8 PHE CB C 8 42.791 42.791 43.762 -0.971 25104 2766 1 4 . 1 1 8 8 PHE H H 8 9.571 9.571 8.539 1.032 25104 2767 1 4 . 1 1 9 9 ASP N N 9 124.287 124.287 122.117 2.170 25104 2768 1 4 . 1 1 9 9 ASP HA H 9 5.585 5.585 5.182 0.403 25104 2769 1 4 . 1 1 9 9 ASP C C 9 176.286 176.286 175.396 0.890 25104 2770 1 4 . 1 1 9 9 ASP CA C 9 54.831 54.831 53.749 1.082 25104 2771 1 4 . 1 1 9 9 ASP CB C 9 41.366 41.366 43.103 -1.737 25104 2772 1 4 . 1 1 9 9 ASP H H 9 9.301 9.301 8.616 0.685 25104 2773 1 4 . 1 1 10 10 ILE N N 10 124.286 124.286 123.841 0.445 25104 2774 1 4 . 1 1 10 10 ILE HA H 10 5.213 5.213 4.695 0.518 25104 2775 1 4 . 1 1 10 10 ILE C C 10 177.031 177.031 174.344 2.687 25104 2776 1 4 . 1 1 10 10 ILE CA C 10 58.233 58.233 58.792 -0.559 25104 2777 1 4 . 1 1 10 10 ILE CB C 10 37.769 37.769 38.965 -1.196 25104 2778 1 4 . 1 1 10 10 ILE H H 10 9.059 9.059 8.449 0.610 25104 2779 1 4 . 1 1 11 11 ALA N N 11 132.503 132.503 127.835 4.668 25104 2780 1 4 . 1 1 11 11 ALA HA H 11 5.216 5.216 5.189 0.027 25104 2781 1 4 . 1 1 11 11 ALA C C 11 175.928 175.928 175.494 0.434 25104 2782 1 4 . 1 1 11 11 ALA CA C 11 50.948 50.948 50.358 0.590 25104 2783 1 4 . 1 1 11 11 ALA CB C 11 22.804 22.804 22.747 0.057 25104 2784 1 4 . 1 1 11 11 ALA H H 11 9.642 9.642 8.840 0.802 25104 2785 1 4 . 1 1 12 12 VAL N N 12 118.551 118.551 121.953 -3.402 25104 2786 1 4 . 1 1 12 12 VAL HA H 12 4.578 4.578 3.964 0.614 25104 2787 1 4 . 1 1 12 12 VAL C C 12 177.347 177.347 175.783 1.564 25104 2788 1 4 . 1 1 12 12 VAL CA C 12 60.457 60.457 61.785 -1.328 25104 2789 1 4 . 1 1 12 12 VAL CB C 12 33.301 33.301 31.659 1.642 25104 2790 1 4 . 1 1 12 12 VAL H H 12 8.984 8.984 8.333 0.651 25104 2791 1 4 . 1 1 13 13 ASP N N 13 131.009 131.009 127.877 3.132 25104 2792 1 4 . 1 1 13 13 ASP HA H 13 4.359 4.359 4.325 0.034 25104 2793 1 4 . 1 1 13 13 ASP C C 13 176.795 176.795 176.502 0.293 25104 2794 1 4 . 1 1 13 13 ASP CA C 13 55.880 55.880 55.375 0.505 25104 2795 1 4 . 1 1 13 13 ASP CB C 13 39.999 39.999 39.233 0.766 25104 2796 1 4 . 1 1 13 13 ASP H H 13 9.868 9.868 8.975 0.893 25104 2797 1 4 . 1 1 14 14 GLY N N 14 101.848 101.848 103.464 -1.616 25104 2798 1 4 . 1 1 14 14 GLY C C 14 174.700 174.700 174.433 0.267 25104 2799 1 4 . 1 1 14 14 GLY CA C 14 45.303 45.303 45.200 0.103 25104 2800 1 4 . 1 1 14 14 GLY H H 14 8.578 8.578 8.312 0.266 25104 2801 1 4 . 1 1 15 15 GLU N N 15 123.331 123.331 122.056 1.275 25104 2802 1 4 . 1 1 15 15 GLU HA H 15 4.891 4.891 4.650 0.241 25104 2803 1 4 . 1 1 15 15 GLU CA C 15 52.932 52.932 53.031 -0.098 25104 2804 1 4 . 1 1 15 15 GLU CB C 15 30.468 30.468 29.505 0.963 25104 2805 1 4 . 1 1 15 15 GLU H H 15 8.086 8.086 7.619 0.467 25104 2806 1 4 . 1 1 16 16 PRO HA H 16 4.240 4.240 4.301 -0.061 25104 2807 1 4 . 1 1 16 16 PRO C C 16 177.072 177.072 176.158 0.914 25104 2808 1 4 . 1 1 16 16 PRO CA C 16 64.838 64.838 63.351 1.487 25104 2809 1 4 . 1 1 16 16 PRO CB C 16 32.368 32.368 31.685 0.683 25104 2810 1 4 . 1 1 17 17 LEU N N 17 126.051 126.051 126.830 -0.779 25104 2811 1 4 . 1 1 17 17 LEU HA H 17 4.739 4.739 4.479 0.260 25104 2812 1 4 . 1 1 17 17 LEU C C 17 176.975 176.975 176.711 0.264 25104 2813 1 4 . 1 1 17 17 LEU CA C 17 55.511 55.511 55.625 -0.114 25104 2814 1 4 . 1 1 17 17 LEU CB C 17 44.257 44.257 43.036 1.220 25104 2815 1 4 . 1 1 17 17 LEU H H 17 9.237 9.237 8.244 0.993 25104 2816 1 4 . 1 1 18 18 GLY N N 18 102.496 102.496 104.536 -2.040 25104 2817 1 4 . 1 1 18 18 GLY C C 18 170.997 170.997 171.619 -0.622 25104 2818 1 4 . 1 1 18 18 GLY CA C 18 44.713 44.713 44.906 -0.193 25104 2819 1 4 . 1 1 18 18 GLY H H 18 7.303 7.303 7.469 -0.166 25104 2820 1 4 . 1 1 19 19 ARG N N 19 121.330 121.330 119.855 1.475 25104 2821 1 4 . 1 1 19 19 ARG HA H 19 5.665 5.665 4.824 0.841 25104 2822 1 4 . 1 1 19 19 ARG C C 19 176.011 176.011 174.854 1.157 25104 2823 1 4 . 1 1 19 19 ARG CA C 19 55.106 55.106 54.804 0.302 25104 2824 1 4 . 1 1 19 19 ARG CB C 19 33.587 33.587 32.779 0.808 25104 2825 1 4 . 1 1 19 19 ARG H H 19 8.348 8.348 8.353 -0.005 25104 2826 1 4 . 1 1 20 20 VAL N N 20 126.859 126.859 122.306 4.553 25104 2827 1 4 . 1 1 20 20 VAL HA H 20 4.650 4.650 4.446 0.204 25104 2828 1 4 . 1 1 20 20 VAL C C 20 174.836 174.836 173.990 0.846 25104 2829 1 4 . 1 1 20 20 VAL CA C 20 59.966 59.966 60.949 -0.983 25104 2830 1 4 . 1 1 20 20 VAL CB C 20 35.034 35.034 35.782 -0.748 25104 2831 1 4 . 1 1 20 20 VAL H H 20 9.400 9.400 8.173 1.227 25104 2832 1 4 . 1 1 21 21 SER N N 21 120.319 120.319 120.359 -0.040 25104 2833 1 4 . 1 1 21 21 SER HA H 21 5.565 5.565 5.393 0.172 25104 2834 1 4 . 1 1 21 21 SER C C 21 174.694 174.694 173.417 1.277 25104 2835 1 4 . 1 1 21 21 SER CA C 21 55.462 55.462 56.727 -1.265 25104 2836 1 4 . 1 1 21 21 SER CB C 21 66.546 66.546 65.040 1.506 25104 2837 1 4 . 1 1 21 21 SER H H 21 8.791 8.791 8.637 0.154 25104 2838 1 4 . 1 1 22 22 PHE N N 22 119.239 119.239 123.957 -4.718 25104 2839 1 4 . 1 1 22 22 PHE HA H 22 5.279 5.279 4.800 0.479 25104 2840 1 4 . 1 1 22 22 PHE C C 22 176.190 176.190 174.608 1.582 25104 2841 1 4 . 1 1 22 22 PHE CA C 22 55.882 55.882 56.903 -1.021 25104 2842 1 4 . 1 1 22 22 PHE CB C 22 42.673 42.673 41.018 1.655 25104 2843 1 4 . 1 1 22 22 PHE H H 22 9.553 9.553 9.084 0.469 25104 2844 1 4 . 1 1 23 23 GLU N N 23 123.308 123.308 124.081 -0.773 25104 2845 1 4 . 1 1 23 23 GLU HA H 23 4.797 4.797 4.441 0.356 25104 2846 1 4 . 1 1 23 23 GLU C C 23 175.673 175.673 175.334 0.339 25104 2847 1 4 . 1 1 23 23 GLU CA C 23 55.119 55.119 55.029 0.090 25104 2848 1 4 . 1 1 23 23 GLU CB C 23 32.058 32.058 30.450 1.608 25104 2849 1 4 . 1 1 23 23 GLU H H 23 8.791 8.791 8.709 0.082 25104 2850 1 4 . 1 1 24 24 LEU N N 24 122.539 122.539 127.476 -4.937 25104 2851 1 4 . 1 1 24 24 LEU HA H 24 4.749 4.749 4.535 0.214 25104 2852 1 4 . 1 1 24 24 LEU C C 24 178.229 178.229 177.032 1.197 25104 2853 1 4 . 1 1 24 24 LEU CA C 24 51.899 51.899 53.919 -2.020 25104 2854 1 4 . 1 1 24 24 LEU CB C 24 43.248 43.248 42.522 0.726 25104 2855 1 4 . 1 1 24 24 LEU H H 24 8.198 8.198 8.366 -0.168 25104 2856 1 4 . 1 1 25 25 PHE N N 25 124.715 124.715 123.264 1.451 25104 2857 1 4 . 1 1 25 25 PHE HA H 25 5.171 5.171 4.792 0.379 25104 2858 1 4 . 1 1 25 25 PHE C C 25 177.485 177.485 175.804 1.681 25104 2859 1 4 . 1 1 25 25 PHE CA C 25 54.699 54.699 56.794 -2.095 25104 2860 1 4 . 1 1 25 25 PHE CB C 25 36.100 36.100 36.489 -0.390 25104 2861 1 4 . 1 1 25 25 PHE H H 25 8.864 8.864 8.797 0.067 25104 2862 1 4 . 1 1 26 26 ALA N N 26 128.663 128.663 124.622 4.041 25104 2863 1 4 . 1 1 26 26 ALA HA H 26 3.838 3.838 4.359 -0.521 25104 2864 1 4 . 1 1 26 26 ALA C C 26 177.291 177.291 178.415 -1.124 25104 2865 1 4 . 1 1 26 26 ALA CA C 26 54.316 54.316 54.815 -0.499 25104 2866 1 4 . 1 1 26 26 ALA CB C 26 19.002 19.002 19.056 -0.054 25104 2867 1 4 . 1 1 26 26 ALA H H 26 8.480 8.480 7.727 0.753 25104 2868 1 4 . 1 1 27 27 ASP N N 27 114.191 114.191 115.358 -1.167 25104 2869 1 4 . 1 1 27 27 ASP HA H 27 4.197 4.197 4.490 -0.293 25104 2870 1 4 . 1 1 27 27 ASP C C 27 177.976 177.976 176.877 1.099 25104 2871 1 4 . 1 1 27 27 ASP CA C 27 55.410 55.410 55.931 -0.521 25104 2872 1 4 . 1 1 27 27 ASP CB C 27 38.821 38.821 40.081 -1.260 25104 2873 1 4 . 1 1 27 27 ASP H H 27 9.145 9.145 8.702 0.443 25104 2874 1 4 . 1 1 28 28 LYS N N 28 118.107 118.107 118.277 -0.170 25104 2875 1 4 . 1 1 28 28 LYS HA H 28 4.599 4.599 4.515 0.084 25104 2876 1 4 . 1 1 28 28 LYS C C 28 177.840 177.840 177.252 0.588 25104 2877 1 4 . 1 1 28 28 LYS CA C 28 56.262 56.262 57.054 -0.792 25104 2878 1 4 . 1 1 28 28 LYS CB C 28 36.006 36.006 35.553 0.453 25104 2879 1 4 . 1 1 28 28 LYS H H 28 7.569 7.569 7.635 -0.066 25104 2880 1 4 . 1 1 29 29 VAL N N 29 114.551 114.551 116.648 -2.097 25104 2881 1 4 . 1 1 29 29 VAL HA H 29 4.487 4.487 4.937 -0.450 25104 2882 1 4 . 1 1 29 29 VAL CA C 29 58.309 58.309 58.328 -0.019 25104 2883 1 4 . 1 1 29 29 VAL CB C 29 32.078 32.078 30.994 1.084 25104 2884 1 4 . 1 1 29 29 VAL H H 29 8.364 8.364 8.026 0.338 25104 2885 1 4 . 1 1 30 30 PRO HA H 30 4.450 4.450 4.464 -0.014 25104 2886 1 4 . 1 1 30 30 PRO C C 30 181.892 181.892 178.502 3.390 25104 2887 1 4 . 1 1 30 30 PRO CA C 30 66.227 66.227 65.913 0.314 25104 2888 1 4 . 1 1 30 30 PRO CB C 30 31.547 31.547 31.993 -0.446 25104 2889 1 4 . 1 1 31 31 LYS N N 31 123.785 123.785 118.808 4.977 25104 2890 1 4 . 1 1 31 31 LYS HA H 31 4.105 4.105 4.030 0.075 25104 2891 1 4 . 1 1 31 31 LYS C C 31 182.749 182.749 178.535 4.214 25104 2892 1 4 . 1 1 31 31 LYS CA C 31 61.057 61.057 59.887 1.170 25104 2893 1 4 . 1 1 31 31 LYS CB C 31 32.468 32.468 31.732 0.736 25104 2894 1 4 . 1 1 31 31 LYS H H 31 10.684 10.684 8.595 2.089 25104 2895 1 4 . 1 1 32 32 THR N N 32 124.002 124.002 114.173 9.829 25104 2896 1 4 . 1 1 32 32 THR HA H 32 4.034 4.034 4.254 -0.220 25104 2897 1 4 . 1 1 32 32 THR C C 32 178.673 178.673 176.359 2.314 25104 2898 1 4 . 1 1 32 32 THR CA C 32 67.526 67.526 67.170 0.356 25104 2899 1 4 . 1 1 32 32 THR CB C 32 68.705 68.705 68.425 0.280 25104 2900 1 4 . 1 1 32 32 THR H H 32 10.320 10.320 8.262 2.058 25104 2901 1 4 . 1 1 33 33 ALA N N 33 125.616 125.616 122.976 2.640 25104 2902 1 4 . 1 1 33 33 ALA HA H 33 4.092 4.092 3.979 0.113 25104 2903 1 4 . 1 1 33 33 ALA C C 33 179.174 179.174 178.801 0.373 25104 2904 1 4 . 1 1 33 33 ALA CA C 33 55.972 55.972 54.595 1.377 25104 2905 1 4 . 1 1 33 33 ALA CB C 33 18.414 18.414 18.478 -0.064 25104 2906 1 4 . 1 1 33 33 ALA H H 33 9.311 9.311 7.953 1.358 25104 2907 1 4 . 1 1 34 34 GLU N N 34 117.376 117.376 119.262 -1.886 25104 2908 1 4 . 1 1 34 34 GLU HA H 34 4.556 4.556 3.987 0.569 25104 2909 1 4 . 1 1 34 34 GLU C C 34 178.418 178.418 178.561 -0.143 25104 2910 1 4 . 1 1 34 34 GLU CA C 34 58.238 58.238 58.633 -0.395 25104 2911 1 4 . 1 1 34 34 GLU CB C 34 28.181 28.181 29.396 -1.215 25104 2912 1 4 . 1 1 34 34 GLU H H 34 8.069 8.069 8.172 -0.103 25104 2913 1 4 . 1 1 35 35 ASN N N 35 115.722 115.722 118.607 -2.885 25104 2914 1 4 . 1 1 35 35 ASN HA H 35 4.108 4.108 4.278 -0.170 25104 2915 1 4 . 1 1 35 35 ASN C C 35 175.568 175.568 177.150 -1.582 25104 2916 1 4 . 1 1 35 35 ASN CA C 35 56.768 56.768 56.078 0.690 25104 2917 1 4 . 1 1 35 35 ASN CB C 35 39.644 39.644 38.230 1.414 25104 2918 1 4 . 1 1 35 35 ASN H H 35 7.193 7.193 7.914 -0.721 25104 2919 1 4 . 1 1 36 36 PHE N N 36 117.929 117.929 119.956 -2.027 25104 2920 1 4 . 1 1 36 36 PHE HA H 36 4.158 4.158 4.160 -0.002 25104 2921 1 4 . 1 1 36 36 PHE C C 36 179.707 179.707 177.495 2.212 25104 2922 1 4 . 1 1 36 36 PHE CA C 36 61.589 61.589 60.837 0.752 25104 2923 1 4 . 1 1 36 36 PHE CB C 36 39.948 39.948 39.140 0.808 25104 2924 1 4 . 1 1 36 36 PHE H H 36 7.065 7.065 7.353 -0.288 25104 2925 1 4 . 1 1 37 37 ARG N N 37 121.048 121.048 120.767 0.281 25104 2926 1 4 . 1 1 37 37 ARG HA H 37 3.685 3.685 4.052 -0.367 25104 2927 1 4 . 1 1 37 37 ARG C C 37 179.000 179.000 177.980 1.020 25104 2928 1 4 . 1 1 37 37 ARG CA C 37 60.515 60.515 59.698 0.817 25104 2929 1 4 . 1 1 37 37 ARG CB C 37 29.880 29.880 30.358 -0.478 25104 2930 1 4 . 1 1 37 37 ARG H H 37 8.975 8.975 8.098 0.877 25104 2931 1 4 . 1 1 38 38 ALA N N 38 119.232 119.232 120.947 -1.715 25104 2932 1 4 . 1 1 38 38 ALA HA H 38 4.126 4.126 4.402 -0.276 25104 2933 1 4 . 1 1 38 38 ALA C C 38 183.365 183.365 179.453 3.912 25104 2934 1 4 . 1 1 38 38 ALA CA C 38 54.477 54.477 54.030 0.447 25104 2935 1 4 . 1 1 38 38 ALA CB C 38 18.405 18.405 18.563 -0.158 25104 2936 1 4 . 1 1 38 38 ALA H H 38 8.741 8.741 7.853 0.888 25104 2937 1 4 . 1 1 39 39 LEU N N 39 120.723 120.723 118.454 2.269 25104 2938 1 4 . 1 1 39 39 LEU HA H 39 3.800 3.800 4.012 -0.212 25104 2939 1 4 . 1 1 39 39 LEU C C 39 180.481 180.481 178.527 1.954 25104 2940 1 4 . 1 1 39 39 LEU CA C 39 57.268 57.268 57.230 0.038 25104 2941 1 4 . 1 1 39 39 LEU CB C 39 41.218 41.218 41.762 -0.544 25104 2942 1 4 . 1 1 39 39 LEU H H 39 8.212 8.212 7.774 0.438 25104 2943 1 4 . 1 1 40 40 SER N N 40 119.210 119.210 114.989 4.221 25104 2944 1 4 . 1 1 40 40 SER HA H 40 4.341 4.341 4.216 0.125 25104 2945 1 4 . 1 1 40 40 SER C C 40 175.380 175.380 176.342 -0.962 25104 2946 1 4 . 1 1 40 40 SER CA C 40 62.924 62.924 61.429 1.495 25104 2947 1 4 . 1 1 40 40 SER CB C 40 62.992 62.992 63.059 -0.067 25104 2948 1 4 . 1 1 40 40 SER H H 40 7.938 7.938 7.795 0.143 25104 2949 1 4 . 1 1 41 41 THR N N 41 108.556 108.556 110.592 -2.036 25104 2950 1 4 . 1 1 41 41 THR HA H 41 4.508 4.508 4.181 0.327 25104 2951 1 4 . 1 1 41 41 THR C C 41 179.088 179.088 175.657 3.431 25104 2952 1 4 . 1 1 41 41 THR CA C 41 62.492 62.492 63.606 -1.114 25104 2953 1 4 . 1 1 41 41 THR CB C 41 69.663 69.663 69.336 0.327 25104 2954 1 4 . 1 1 41 41 THR H H 41 8.017 8.017 7.742 0.275 25104 2955 1 4 . 1 1 42 42 GLY N N 42 108.433 108.433 110.235 -1.802 25104 2956 1 4 . 1 1 42 42 GLY C C 42 178.676 178.676 175.792 2.884 25104 2957 1 4 . 1 1 42 42 GLY CA C 42 45.840 45.840 45.463 0.377 25104 2958 1 4 . 1 1 42 42 GLY H H 42 7.621 7.621 7.497 0.124 25104 2959 1 4 . 1 1 43 43 GLU N N 43 118.777 118.777 119.758 -0.981 25104 2960 1 4 . 1 1 43 43 GLU HA H 43 4.171 4.171 4.060 0.111 25104 2961 1 4 . 1 1 43 43 GLU C C 43 177.458 177.458 177.296 0.162 25104 2962 1 4 . 1 1 43 43 GLU CA C 43 58.580 58.580 57.440 1.140 25104 2963 1 4 . 1 1 43 43 GLU H H 43 8.049 8.049 8.035 0.014 25104 2964 1 4 . 1 1 44 44 LYS N N 44 118.526 118.526 116.568 1.958 25104 2965 1 4 . 1 1 44 44 LYS HA H 44 4.342 4.342 4.158 0.184 25104 2966 1 4 . 1 1 44 44 LYS C C 44 177.590 177.590 176.278 1.312 25104 2967 1 4 . 1 1 44 44 LYS CA C 44 54.405 54.405 54.913 -0.508 25104 2968 1 4 . 1 1 44 44 LYS CB C 44 30.488 30.488 31.611 -1.123 25104 2969 1 4 . 1 1 44 44 LYS H H 44 9.123 9.123 7.345 1.778 25104 2970 1 4 . 1 1 45 45 GLY N N 45 105.553 105.553 108.292 -2.739 25104 2971 1 4 . 1 1 45 45 GLY C C 45 173.518 173.518 173.860 -0.342 25104 2972 1 4 . 1 1 45 45 GLY CA C 45 44.612 44.612 45.725 -1.113 25104 2973 1 4 . 1 1 45 45 GLY H H 45 7.970 7.970 7.681 0.289 25104 2974 1 4 . 1 1 46 46 PHE N N 46 113.753 113.753 117.666 -3.913 25104 2975 1 4 . 1 1 46 46 PHE HA H 46 4.678 4.678 4.399 0.279 25104 2976 1 4 . 1 1 46 46 PHE C C 46 173.684 173.684 176.021 -2.337 25104 2977 1 4 . 1 1 46 46 PHE CA C 46 54.077 54.077 56.509 -2.432 25104 2978 1 4 . 1 1 46 46 PHE CB C 46 39.658 39.658 39.886 -0.229 25104 2979 1 4 . 1 1 46 46 PHE H H 46 6.469 6.469 7.112 -0.642 25104 2980 1 4 . 1 1 47 47 GLY N N 47 104.722 104.722 108.125 -3.403 25104 2981 1 4 . 1 1 47 47 GLY C C 47 172.446 172.446 175.015 -2.569 25104 2982 1 4 . 1 1 47 47 GLY CA C 47 45.601 45.601 45.633 -0.032 25104 2983 1 4 . 1 1 47 47 GLY H H 47 7.756 7.756 8.079 -0.323 25104 2984 1 4 . 1 1 48 48 TYR N N 48 113.796 113.796 120.234 -6.438 25104 2985 1 4 . 1 1 48 48 TYR HA H 48 4.270 4.270 4.229 0.041 25104 2986 1 4 . 1 1 48 48 TYR C C 48 178.924 178.924 175.778 3.146 25104 2987 1 4 . 1 1 48 48 TYR CA C 48 57.365 57.365 57.913 -0.548 25104 2988 1 4 . 1 1 48 48 TYR CB C 48 38.832 38.832 37.067 1.765 25104 2989 1 4 . 1 1 48 48 TYR H H 48 6.948 6.948 7.836 -0.888 25104 2990 1 4 . 1 1 49 49 LYS N N 49 124.858 124.858 126.410 -1.552 25104 2991 1 4 . 1 1 49 49 LYS HA H 49 3.655 3.655 4.497 -0.842 25104 2992 1 4 . 1 1 49 49 LYS C C 49 178.388 178.388 176.502 1.886 25104 2993 1 4 . 1 1 49 49 LYS CA C 49 61.018 61.018 55.469 5.549 25104 2994 1 4 . 1 1 49 49 LYS CB C 49 31.484 31.484 31.753 -0.270 25104 2995 1 4 . 1 1 49 49 LYS H H 49 8.493 8.493 8.315 0.178 25104 2996 1 4 . 1 1 50 50 GLY N N 50 117.833 117.833 113.566 4.267 25104 2997 1 4 . 1 1 50 50 GLY C C 50 175.259 175.259 173.645 1.614 25104 2998 1 4 . 1 1 50 50 GLY CA C 50 45.495 45.495 44.755 0.740 25104 2999 1 4 . 1 1 50 50 GLY H H 50 9.509 9.509 8.423 1.086 25104 3000 1 4 . 1 1 51 51 SER N N 51 116.413 116.413 117.643 -1.230 25104 3001 1 4 . 1 1 51 51 SER HA H 51 4.516 4.516 4.545 -0.029 25104 3002 1 4 . 1 1 51 51 SER C C 51 172.808 172.808 174.872 -2.064 25104 3003 1 4 . 1 1 51 51 SER CA C 51 59.043 59.043 59.159 -0.116 25104 3004 1 4 . 1 1 51 51 SER CB C 51 63.781 63.781 62.675 1.106 25104 3005 1 4 . 1 1 51 51 SER H H 51 8.436 8.436 8.073 0.363 25104 3006 1 4 . 1 1 52 52 CYS N N 52 115.156 115.156 123.247 -8.091 25104 3007 1 4 . 1 1 52 52 CYS HA H 52 5.932 5.932 5.142 0.790 25104 3008 1 4 . 1 1 52 52 CYS C C 52 177.437 177.437 174.184 3.253 25104 3009 1 4 . 1 1 52 52 CYS CA C 52 55.998 55.998 56.533 -0.535 25104 3010 1 4 . 1 1 52 52 CYS CB C 52 31.953 31.953 29.207 2.746 25104 3011 1 4 . 1 1 52 52 CYS H H 52 9.875 9.875 8.586 1.289 25104 3012 1 4 . 1 1 53 53 PHE N N 53 123.068 123.068 124.059 -0.991 25104 3013 1 4 . 1 1 53 53 PHE HA H 53 4.899 4.899 4.419 0.480 25104 3014 1 4 . 1 1 53 53 PHE C C 53 175.886 175.886 175.634 0.252 25104 3015 1 4 . 1 1 53 53 PHE CA C 53 58.389 58.389 58.906 -0.517 25104 3016 1 4 . 1 1 53 53 PHE CB C 53 39.535 39.535 37.814 1.721 25104 3017 1 4 . 1 1 53 53 PHE H H 53 8.732 8.732 8.970 -0.238 25104 3018 1 4 . 1 1 54 54 HIS N N 54 120.227 120.227 118.392 1.835 25104 3019 1 4 . 1 1 54 54 HIS HA H 54 4.763 4.763 4.901 -0.138 25104 3020 1 4 . 1 1 54 54 HIS C C 54 176.409 176.409 174.324 2.085 25104 3021 1 4 . 1 1 54 54 HIS CA C 54 57.323 57.323 54.937 2.386 25104 3022 1 4 . 1 1 54 54 HIS CB C 54 31.542 31.542 31.521 0.021 25104 3023 1 4 . 1 1 54 54 HIS H H 54 7.696 7.696 7.840 -0.144 25104 3024 1 4 . 1 1 55 55 ARG N N 55 123.202 123.202 121.127 2.075 25104 3025 1 4 . 1 1 55 55 ARG HA H 55 5.118 5.118 5.155 -0.037 25104 3026 1 4 . 1 1 55 55 ARG C C 55 174.511 174.511 173.681 0.830 25104 3027 1 4 . 1 1 55 55 ARG CA C 55 54.913 54.913 54.886 0.026 25104 3028 1 4 . 1 1 55 55 ARG CB C 55 33.805 33.805 31.495 2.309 25104 3029 1 4 . 1 1 55 55 ARG H H 55 7.089 7.089 7.346 -0.257 25104 3030 1 4 . 1 1 56 56 ILE N N 56 126.621 126.621 126.375 0.246 25104 3031 1 4 . 1 1 56 56 ILE HA H 56 4.659 4.659 4.709 -0.050 25104 3032 1 4 . 1 1 56 56 ILE C C 56 174.633 174.633 174.006 0.627 25104 3033 1 4 . 1 1 56 56 ILE CA C 56 61.585 61.585 60.561 1.024 25104 3034 1 4 . 1 1 56 56 ILE CB C 56 41.452 41.452 41.880 -0.428 25104 3035 1 4 . 1 1 56 56 ILE H H 56 9.201 9.201 8.531 0.670 25104 3036 1 4 . 1 1 57 57 ILE N N 57 127.965 127.965 126.330 1.635 25104 3037 1 4 . 1 1 57 57 ILE HA H 57 5.248 5.248 5.256 -0.008 25104 3038 1 4 . 1 1 57 57 ILE CA C 57 57.685 57.685 57.611 0.074 25104 3039 1 4 . 1 1 57 57 ILE CB C 57 40.236 40.236 41.227 -0.991 25104 3040 1 4 . 1 1 57 57 ILE H H 57 8.753 8.753 8.831 -0.078 25104 3041 1 4 . 1 1 58 58 PRO HA H 58 4.382 4.382 4.514 -0.132 25104 3042 1 4 . 1 1 58 58 PRO C C 58 178.669 178.669 177.767 0.902 25104 3043 1 4 . 1 1 58 58 PRO CA C 58 63.086 63.086 63.766 -0.680 25104 3044 1 4 . 1 1 58 58 PRO CB C 58 31.996 31.996 31.929 0.067 25104 3045 1 4 . 1 1 59 59 GLY N N 59 114.176 114.176 109.750 4.426 25104 3046 1 4 . 1 1 59 59 GLY C C 59 173.281 173.281 173.910 -0.629 25104 3047 1 4 . 1 1 59 59 GLY CA C 59 45.259 45.259 46.008 -0.749 25104 3048 1 4 . 1 1 59 59 GLY H H 59 9.752 9.752 8.472 1.280 25104 3049 1 4 . 1 1 60 60 PHE N N 60 119.241 119.241 118.214 1.027 25104 3050 1 4 . 1 1 60 60 PHE HA H 60 5.153 5.153 4.893 0.260 25104 3051 1 4 . 1 1 60 60 PHE C C 60 174.401 174.401 173.040 1.361 25104 3052 1 4 . 1 1 60 60 PHE CA C 60 56.867 56.867 58.146 -1.279 25104 3053 1 4 . 1 1 60 60 PHE CB C 60 39.954 39.954 42.189 -2.235 25104 3054 1 4 . 1 1 60 60 PHE H H 60 8.196 8.196 8.569 -0.373 25104 3055 1 4 . 1 1 61 61 MET N N 61 111.262 111.262 116.727 -5.465 25104 3056 1 4 . 1 1 61 61 MET HA H 61 5.369 5.369 4.870 0.499 25104 3057 1 4 . 1 1 61 61 MET C C 61 175.163 175.163 173.227 1.936 25104 3058 1 4 . 1 1 61 61 MET CA C 61 55.062 55.062 55.063 -0.001 25104 3059 1 4 . 1 1 61 61 MET CB C 61 35.010 35.010 35.810 -0.800 25104 3060 1 4 . 1 1 61 61 MET H H 61 8.128 8.128 8.416 -0.288 25104 3061 1 4 . 1 1 62 62 CYS N N 62 114.848 114.848 123.511 -8.663 25104 3062 1 4 . 1 1 62 62 CYS HA H 62 4.941 4.941 4.846 0.095 25104 3063 1 4 . 1 1 62 62 CYS C C 62 174.075 174.075 173.051 1.024 25104 3064 1 4 . 1 1 62 62 CYS CA C 62 57.485 57.485 57.655 -0.170 25104 3065 1 4 . 1 1 62 62 CYS CB C 62 30.392 30.392 29.796 0.596 25104 3066 1 4 . 1 1 62 62 CYS H H 62 8.501 8.501 8.865 -0.364 25104 3067 1 4 . 1 1 63 63 GLN N N 63 126.854 126.854 129.908 -3.054 25104 3068 1 4 . 1 1 63 63 GLN HA H 63 5.410 5.410 5.076 0.334 25104 3069 1 4 . 1 1 63 63 GLN C C 63 175.024 175.024 174.022 1.002 25104 3070 1 4 . 1 1 63 63 GLN CA C 63 54.691 54.691 54.307 0.384 25104 3071 1 4 . 1 1 63 63 GLN CB C 63 30.529 30.529 32.836 -2.307 25104 3072 1 4 . 1 1 63 63 GLN H H 63 9.671 9.671 8.796 0.875 25104 3073 1 4 . 1 1 64 64 GLY N N 64 110.745 110.745 111.231 -0.486 25104 3074 1 4 . 1 1 64 64 GLY C C 64 174.113 174.113 171.497 2.616 25104 3075 1 4 . 1 1 64 64 GLY CA C 64 44.788 44.788 42.460 2.328 25104 3076 1 4 . 1 1 64 64 GLY H H 64 7.401 7.401 8.037 -0.636 25104 3077 1 4 . 1 1 65 65 GLY N N 65 105.815 105.815 105.136 0.679 25104 3078 1 4 . 1 1 65 65 GLY C C 65 176.175 176.175 171.734 4.441 25104 3079 1 4 . 1 1 65 65 GLY CA C 65 46.659 46.659 45.126 1.533 25104 3080 1 4 . 1 1 65 65 GLY H H 65 9.265 9.265 7.640 1.625 25104 3081 1 4 . 1 1 66 66 ASP N N 66 123.911 123.911 119.858 4.053 25104 3082 1 4 . 1 1 66 66 ASP HA H 66 4.337 4.337 4.890 -0.553 25104 3083 1 4 . 1 1 66 66 ASP C C 66 177.105 177.105 177.130 -0.025 25104 3084 1 4 . 1 1 66 66 ASP CA C 66 51.592 51.592 51.778 -0.186 25104 3085 1 4 . 1 1 66 66 ASP CB C 66 38.926 38.926 43.243 -4.317 25104 3086 1 4 . 1 1 66 66 ASP H H 66 9.950 9.950 7.746 2.204 25104 3087 1 4 . 1 1 67 67 PHE N N 67 116.285 116.285 120.713 -4.428 25104 3088 1 4 . 1 1 67 67 PHE HA H 67 4.655 4.655 4.516 0.139 25104 3089 1 4 . 1 1 67 67 PHE C C 67 175.240 175.240 175.518 -0.278 25104 3090 1 4 . 1 1 67 67 PHE CA C 67 55.683 55.683 59.638 -3.955 25104 3091 1 4 . 1 1 67 67 PHE CB C 67 39.480 39.480 40.348 -0.868 25104 3092 1 4 . 1 1 67 67 PHE H H 67 6.660 6.660 8.625 -1.965 25104 3093 1 4 . 1 1 68 68 THR N N 68 109.280 109.280 117.707 -8.427 25104 3094 1 4 . 1 1 68 68 THR HA H 68 4.692 4.692 4.121 0.571 25104 3095 1 4 . 1 1 68 68 THR C C 68 176.514 176.514 174.443 2.071 25104 3096 1 4 . 1 1 68 68 THR CA C 68 61.962 61.962 64.041 -2.079 25104 3097 1 4 . 1 1 68 68 THR CB C 68 68.922 68.922 68.750 0.172 25104 3098 1 4 . 1 1 68 68 THR H H 68 7.400 7.400 8.070 -0.670 25104 3099 1 4 . 1 1 69 69 ARG N N 69 122.125 122.125 126.208 -4.083 25104 3100 1 4 . 1 1 69 69 ARG HA H 69 4.421 4.421 3.807 0.614 25104 3101 1 4 . 1 1 69 69 ARG CA C 69 55.265 55.265 56.976 -1.711 25104 3102 1 4 . 1 1 69 69 ARG CB C 69 31.727 31.727 29.486 2.241 25104 3103 1 4 . 1 1 69 69 ARG H H 69 8.719 8.719 8.854 -0.135 25104 3104 1 4 . 1 1 70 70 HIS N N 70 111.574 111.574 121.353 -9.779 25104 3105 1 4 . 1 1 70 70 HIS HA H 70 4.451 4.451 4.458 -0.007 25104 3106 1 4 . 1 1 70 70 HIS C C 70 175.306 175.306 174.708 0.598 25104 3107 1 4 . 1 1 70 70 HIS CA C 70 57.193 57.193 57.144 0.049 25104 3108 1 4 . 1 1 70 70 HIS CB C 70 28.587 28.587 30.177 -1.590 25104 3109 1 4 . 1 1 70 70 HIS H H 70 6.865 6.865 8.488 -1.623 25104 3110 1 4 . 1 1 71 71 ASN N N 71 112.710 112.710 118.742 -6.032 25104 3111 1 4 . 1 1 71 71 ASN HA H 71 4.673 4.673 4.487 0.186 25104 3112 1 4 . 1 1 71 71 ASN C C 71 176.752 176.752 175.717 1.035 25104 3113 1 4 . 1 1 71 71 ASN CA C 71 52.366 52.366 53.712 -1.345 25104 3114 1 4 . 1 1 71 71 ASN CB C 71 39.036 39.036 36.794 2.242 25104 3115 1 4 . 1 1 71 71 ASN H H 71 7.594 7.594 8.027 -0.433 25104 3116 1 4 . 1 1 72 72 GLY N N 72 110.452 110.452 110.521 -0.069 25104 3117 1 4 . 1 1 72 72 GLY C C 72 176.669 176.669 174.282 2.387 25104 3118 1 4 . 1 1 72 72 GLY CA C 72 44.887 44.887 46.212 -1.325 25104 3119 1 4 . 1 1 72 72 GLY H H 72 9.642 9.642 8.162 1.480 25104 3120 1 4 . 1 1 73 73 THR N N 73 112.024 112.024 115.534 -3.510 25104 3121 1 4 . 1 1 73 73 THR HA H 73 4.541 4.541 4.266 0.275 25104 3122 1 4 . 1 1 73 73 THR C C 73 176.905 176.905 174.280 2.625 25104 3123 1 4 . 1 1 73 73 THR CA C 73 62.235 62.235 61.797 0.438 25104 3124 1 4 . 1 1 73 73 THR CB C 73 70.677 70.677 70.577 0.100 25104 3125 1 4 . 1 1 73 73 THR H H 73 7.967 7.967 7.109 0.858 25104 3126 1 4 . 1 1 74 74 GLY N N 74 113.872 113.872 110.677 3.195 25104 3127 1 4 . 1 1 74 74 GLY C C 74 176.149 176.149 174.141 2.008 25104 3128 1 4 . 1 1 74 74 GLY CA C 74 45.126 45.126 45.447 -0.321 25104 3129 1 4 . 1 1 74 74 GLY H H 74 8.711 8.711 8.148 0.563 25104 3130 1 4 . 1 1 75 75 GLY N N 75 109.032 109.032 107.215 1.817 25104 3131 1 4 . 1 1 75 75 GLY C C 75 173.012 173.012 174.013 -1.001 25104 3132 1 4 . 1 1 75 75 GLY CA C 75 43.371 43.371 44.317 -0.946 25104 3133 1 4 . 1 1 75 75 GLY H H 75 8.117 8.117 7.533 0.584 25104 3134 1 4 . 1 1 76 76 LYS N N 76 115.705 115.705 118.531 -2.826 25104 3135 1 4 . 1 1 76 76 LYS HA H 76 4.623 4.623 4.849 -0.226 25104 3136 1 4 . 1 1 76 76 LYS C C 76 173.512 173.512 177.208 -3.696 25104 3137 1 4 . 1 1 76 76 LYS CA C 76 55.975 55.975 56.303 -0.328 25104 3138 1 4 . 1 1 76 76 LYS CB C 76 34.648 34.648 33.038 1.610 25104 3139 1 4 . 1 1 76 76 LYS H H 76 7.034 7.034 7.579 -0.545 25104 3140 1 4 . 1 1 77 77 SER N N 77 114.354 114.354 114.447 -0.093 25104 3141 1 4 . 1 1 77 77 SER HA H 77 5.240 5.240 4.786 0.454 25104 3142 1 4 . 1 1 77 77 SER C C 77 176.746 176.746 176.303 0.443 25104 3143 1 4 . 1 1 77 77 SER CA C 77 57.077 57.077 57.219 -0.142 25104 3144 1 4 . 1 1 77 77 SER CB C 77 69.863 69.863 65.383 4.480 25104 3145 1 4 . 1 1 77 77 SER H H 77 7.793 7.793 8.155 -0.362 25104 3146 1 4 . 1 1 78 78 ILE N N 78 111.394 111.394 116.448 -5.054 25104 3147 1 4 . 1 1 78 78 ILE HA H 78 4.208 4.208 4.167 0.041 25104 3148 1 4 . 1 1 78 78 ILE C C 78 176.973 176.973 175.265 1.708 25104 3149 1 4 . 1 1 78 78 ILE CA C 78 63.675 63.675 63.215 0.460 25104 3150 1 4 . 1 1 78 78 ILE CB C 78 37.434 37.434 37.827 -0.393 25104 3151 1 4 . 1 1 78 78 ILE H H 78 8.584 8.584 8.565 0.019 25104 3152 1 4 . 1 1 79 79 TYR N N 79 120.757 120.757 119.392 1.365 25104 3153 1 4 . 1 1 79 79 TYR HA H 79 4.718 4.718 4.514 0.204 25104 3154 1 4 . 1 1 79 79 TYR C C 79 176.316 176.316 175.990 0.326 25104 3155 1 4 . 1 1 79 79 TYR CA C 79 56.216 56.216 57.402 -1.186 25104 3156 1 4 . 1 1 79 79 TYR CB C 79 38.891 38.891 37.016 1.875 25104 3157 1 4 . 1 1 79 79 TYR H H 79 8.058 8.058 7.667 0.391 25104 3158 1 4 . 1 1 80 80 GLY N N 80 106.521 106.521 108.249 -1.728 25104 3159 1 4 . 1 1 80 80 GLY CA C 80 46.021 46.021 45.711 0.310 25104 3160 1 4 . 1 1 80 80 GLY H H 80 7.152 7.152 7.472 -0.320 25104 3161 1 4 . 1 1 81 81 GLU N N 81 122.638 122.638 126.296 -3.658 25104 3162 1 4 . 1 1 81 81 GLU HA H 81 4.008 4.008 4.053 -0.045 25104 3163 1 4 . 1 1 81 81 GLU C C 81 176.729 176.729 176.437 0.292 25104 3164 1 4 . 1 1 81 81 GLU CA C 81 60.602 60.602 58.842 1.760 25104 3165 1 4 . 1 1 81 81 GLU CB C 81 29.927 29.927 30.169 -0.242 25104 3166 1 4 . 1 1 81 81 GLU H H 81 8.884 8.884 8.629 0.255 25104 3167 1 4 . 1 1 82 82 LYS N N 82 112.369 112.369 113.679 -1.310 25104 3168 1 4 . 1 1 82 82 LYS HA H 82 5.577 5.577 4.661 0.916 25104 3169 1 4 . 1 1 82 82 LYS C C 82 176.495 176.495 175.042 1.453 25104 3170 1 4 . 1 1 82 82 LYS CA C 82 53.906 53.906 55.761 -1.855 25104 3171 1 4 . 1 1 82 82 LYS CB C 82 36.614 36.614 35.382 1.232 25104 3172 1 4 . 1 1 82 82 LYS H H 82 7.845 7.845 7.655 0.190 25104 3173 1 4 . 1 1 83 83 PHE N N 83 116.638 116.638 115.256 1.382 25104 3174 1 4 . 1 1 83 83 PHE HA H 83 5.000 5.000 5.028 -0.028 25104 3175 1 4 . 1 1 83 83 PHE C C 83 174.501 174.501 173.488 1.013 25104 3176 1 4 . 1 1 83 83 PHE CA C 83 56.032 56.032 56.058 -0.026 25104 3177 1 4 . 1 1 83 83 PHE CB C 83 41.258 41.258 40.803 0.455 25104 3178 1 4 . 1 1 83 83 PHE H H 83 9.184 9.184 9.209 -0.025 25104 3179 1 4 . 1 1 84 84 GLU N N 84 119.642 119.642 118.320 1.322 25104 3180 1 4 . 1 1 84 84 GLU HA H 84 3.862 3.862 4.314 -0.452 25104 3181 1 4 . 1 1 84 84 GLU C C 84 177.248 177.248 175.086 2.162 25104 3182 1 4 . 1 1 84 84 GLU CA C 84 56.452 56.452 54.352 2.100 25104 3183 1 4 . 1 1 84 84 GLU CB C 84 29.329 29.329 31.287 -1.958 25104 3184 1 4 . 1 1 84 84 GLU H H 84 9.294 9.294 8.296 0.998 25104 3185 1 4 . 1 1 85 85 ASP N N 85 118.870 118.870 119.382 -0.512 25104 3186 1 4 . 1 1 85 85 ASP HA H 85 4.285 4.285 4.567 -0.282 25104 3187 1 4 . 1 1 85 85 ASP C C 85 177.100 177.100 175.880 1.220 25104 3188 1 4 . 1 1 85 85 ASP CA C 85 54.486 54.486 54.395 0.091 25104 3189 1 4 . 1 1 85 85 ASP CB C 85 40.954 40.954 41.322 -0.367 25104 3190 1 4 . 1 1 85 85 ASP H H 85 8.609 8.609 8.395 0.214 25104 3191 1 4 . 1 1 86 86 GLU N N 86 131.636 131.636 125.332 6.304 25104 3192 1 4 . 1 1 86 86 GLU HA H 86 3.851 3.851 4.175 -0.324 25104 3193 1 4 . 1 1 86 86 GLU C C 86 177.266 177.266 175.684 1.582 25104 3194 1 4 . 1 1 86 86 GLU CA C 86 60.354 60.354 57.834 2.520 25104 3195 1 4 . 1 1 86 86 GLU CB C 86 31.877 31.877 30.513 1.364 25104 3196 1 4 . 1 1 86 86 GLU H H 86 9.474 9.474 9.039 0.435 25104 3197 1 4 . 1 1 87 87 ASN N N 87 106.916 106.916 114.407 -7.491 25104 3198 1 4 . 1 1 87 87 ASN HA H 87 4.187 4.187 4.737 -0.550 25104 3199 1 4 . 1 1 87 87 ASN C C 87 171.751 171.751 174.174 -2.423 25104 3200 1 4 . 1 1 87 87 ASN CA C 87 52.828 52.828 52.403 0.425 25104 3201 1 4 . 1 1 87 87 ASN CB C 87 39.490 39.490 38.865 0.625 25104 3202 1 4 . 1 1 87 87 ASN H H 87 7.084 7.084 7.912 -0.828 25104 3203 1 4 . 1 1 88 88 PHE N N 88 113.116 113.116 121.997 -8.881 25104 3204 1 4 . 1 1 88 88 PHE HA H 88 5.964 5.964 4.767 1.197 25104 3205 1 4 . 1 1 88 88 PHE C C 88 178.688 178.688 175.826 2.862 25104 3206 1 4 . 1 1 88 88 PHE CA C 88 55.847 55.847 57.946 -2.099 25104 3207 1 4 . 1 1 88 88 PHE CB C 88 38.876 38.876 37.604 1.272 25104 3208 1 4 . 1 1 88 88 PHE H H 88 8.356 8.356 9.027 -0.671 25104 3209 1 4 . 1 1 89 89 ILE N N 89 119.794 119.794 120.843 -1.049 25104 3210 1 4 . 1 1 89 89 ILE HA H 89 3.726 3.726 4.006 -0.280 25104 3211 1 4 . 1 1 89 89 ILE C C 89 178.596 178.596 175.789 2.807 25104 3212 1 4 . 1 1 89 89 ILE CA C 89 64.996 64.996 63.234 1.762 25104 3213 1 4 . 1 1 89 89 ILE CB C 89 39.000 39.000 38.477 0.523 25104 3214 1 4 . 1 1 89 89 ILE H H 89 8.314 8.314 7.630 0.684 25104 3215 1 4 . 1 1 90 90 LEU N N 90 117.361 117.361 120.432 -3.071 25104 3216 1 4 . 1 1 90 90 LEU HA H 90 4.516 4.516 4.374 0.142 25104 3217 1 4 . 1 1 90 90 LEU C C 90 177.345 177.345 175.589 1.756 25104 3218 1 4 . 1 1 90 90 LEU CA C 90 54.196 54.196 54.168 0.028 25104 3219 1 4 . 1 1 90 90 LEU CB C 90 42.100 42.100 41.715 0.385 25104 3220 1 4 . 1 1 90 90 LEU H H 90 7.777 7.777 8.167 -0.390 25104 3221 1 4 . 1 1 91 91 LYS N N 91 119.096 119.096 122.298 -3.202 25104 3222 1 4 . 1 1 91 91 LYS HA H 91 4.635 4.635 4.594 0.041 25104 3223 1 4 . 1 1 91 91 LYS C C 91 177.296 177.296 175.765 1.531 25104 3224 1 4 . 1 1 91 91 LYS CA C 91 54.689 54.689 54.614 0.075 25104 3225 1 4 . 1 1 91 91 LYS CB C 91 34.841 34.841 36.084 -1.243 25104 3226 1 4 . 1 1 91 91 LYS H H 91 8.086 8.086 8.611 -0.525 25104 3227 1 4 . 1 1 92 92 HIS N N 92 122.578 122.578 121.732 0.846 25104 3228 1 4 . 1 1 92 92 HIS HA H 92 4.408 4.408 4.596 -0.188 25104 3229 1 4 . 1 1 92 92 HIS C C 92 178.794 178.794 175.647 3.147 25104 3230 1 4 . 1 1 92 92 HIS CA C 92 56.886 56.886 56.379 0.507 25104 3231 1 4 . 1 1 92 92 HIS CB C 92 26.041 26.041 28.096 -2.055 25104 3232 1 4 . 1 1 92 92 HIS H H 92 10.736 10.736 8.737 1.999 25104 3233 1 4 . 1 1 93 93 THR N N 93 110.479 110.479 115.733 -5.254 25104 3234 1 4 . 1 1 93 93 THR HA H 93 4.056 4.056 4.218 -0.162 25104 3235 1 4 . 1 1 93 93 THR C C 93 176.456 176.456 174.481 1.975 25104 3236 1 4 . 1 1 93 93 THR CA C 93 63.324 63.324 63.676 -0.352 25104 3237 1 4 . 1 1 93 93 THR CB C 93 69.416 69.416 69.620 -0.204 25104 3238 1 4 . 1 1 93 93 THR H H 93 7.315 7.315 7.781 -0.466 25104 3239 1 4 . 1 1 94 94 GLY N N 94 107.272 107.272 108.656 -1.384 25104 3240 1 4 . 1 1 94 94 GLY C C 94 178.117 178.117 172.095 6.022 25104 3241 1 4 . 1 1 94 94 GLY H H 94 7.530 7.530 8.053 -0.523 25104 3242 1 4 . 1 1 95 95 PRO HA H 95 3.856 3.856 4.203 -0.347 25104 3243 1 4 . 1 1 95 95 PRO CA C 95 62.687 62.687 62.986 -0.299 25104 3244 1 4 . 1 1 95 95 PRO CB C 95 32.137 32.137 31.903 0.234 25104 3245 1 4 . 1 1 96 96 GLY N N 96 110.210 110.210 110.131 0.079 25104 3246 1 4 . 1 1 96 96 GLY C C 96 174.025 174.025 174.146 -0.121 25104 3247 1 4 . 1 1 96 96 GLY CA C 96 45.068 45.068 45.018 0.050 25104 3248 1 4 . 1 1 96 96 GLY H H 96 9.305 9.305 8.813 0.492 25104 3249 1 4 . 1 1 97 97 ILE N N 97 121.517 121.517 122.907 -1.390 25104 3250 1 4 . 1 1 97 97 ILE HA H 97 4.173 4.173 3.970 0.203 25104 3251 1 4 . 1 1 97 97 ILE C C 97 174.196 174.196 174.454 -0.258 25104 3252 1 4 . 1 1 97 97 ILE CA C 97 59.398 59.398 61.002 -1.604 25104 3253 1 4 . 1 1 97 97 ILE CB C 97 37.922 37.922 35.947 1.975 25104 3254 1 4 . 1 1 97 97 ILE H H 97 6.826 6.826 7.568 -0.742 25104 3255 1 4 . 1 1 98 98 LEU N N 98 128.948 128.948 130.502 -1.554 25104 3256 1 4 . 1 1 98 98 LEU HA H 98 5.010 5.010 4.654 0.356 25104 3257 1 4 . 1 1 98 98 LEU C C 98 175.316 175.316 174.267 1.049 25104 3258 1 4 . 1 1 98 98 LEU CA C 98 53.350 53.350 53.357 -0.007 25104 3259 1 4 . 1 1 98 98 LEU CB C 98 43.813 43.813 43.934 -0.122 25104 3260 1 4 . 1 1 98 98 LEU H H 98 7.907 7.907 8.166 -0.259 25104 3261 1 4 . 1 1 99 99 SER N N 99 118.834 118.834 120.268 -1.434 25104 3262 1 4 . 1 1 99 99 SER HA H 99 5.346 5.346 4.234 1.112 25104 3263 1 4 . 1 1 99 99 SER C C 99 175.732 175.732 172.229 3.503 25104 3264 1 4 . 1 1 99 99 SER CA C 99 55.011 55.011 56.565 -1.554 25104 3265 1 4 . 1 1 99 99 SER CB C 99 65.370 65.370 65.004 0.366 25104 3266 1 4 . 1 1 99 99 SER H H 99 8.307 8.307 8.212 0.095 25104 3267 1 4 . 1 1 100 100 MET N N 100 123.079 123.079 125.754 -2.675 25104 3268 1 4 . 1 1 100 100 MET HA H 100 5.338 5.338 4.621 0.717 25104 3269 1 4 . 1 1 100 100 MET C C 100 178.920 178.920 174.522 4.398 25104 3270 1 4 . 1 1 100 100 MET CA C 100 53.853 53.853 55.812 -1.959 25104 3271 1 4 . 1 1 100 100 MET H H 100 8.563 8.563 8.633 -0.070 25104 3272 1 4 . 1 1 101 101 ALA N N 101 126.225 126.225 127.984 -1.759 25104 3273 1 4 . 1 1 101 101 ALA HA H 101 4.362 4.362 4.749 -0.387 25104 3274 1 4 . 1 1 101 101 ALA C C 101 176.471 176.471 175.949 0.522 25104 3275 1 4 . 1 1 101 101 ALA CA C 101 51.743 51.743 52.651 -0.908 25104 3276 1 4 . 1 1 101 101 ALA CB C 101 19.619 19.619 20.312 -0.693 25104 3277 1 4 . 1 1 101 101 ALA H H 101 8.114 8.114 8.248 -0.134 25104 3278 1 4 . 1 1 102 102 ASN N N 102 113.398 113.398 117.027 -3.629 25104 3279 1 4 . 1 1 102 102 ASN HA H 102 4.647 4.647 4.959 -0.312 25104 3280 1 4 . 1 1 102 102 ASN C C 102 174.740 174.740 174.455 0.285 25104 3281 1 4 . 1 1 102 102 ASN CA C 102 54.102 54.102 52.501 1.601 25104 3282 1 4 . 1 1 102 102 ASN CB C 102 40.597 40.597 40.445 0.152 25104 3283 1 4 . 1 1 102 102 ASN H H 102 8.062 8.062 7.976 0.086 25104 3284 1 4 . 1 1 103 103 ALA N N 103 123.487 123.487 122.417 1.070 25104 3285 1 4 . 1 1 103 103 ALA HA H 103 4.868 4.868 4.412 0.456 25104 3286 1 4 . 1 1 103 103 ALA C C 103 177.823 177.823 176.412 1.411 25104 3287 1 4 . 1 1 103 103 ALA CA C 103 50.380 50.380 53.623 -3.243 25104 3288 1 4 . 1 1 103 103 ALA CB C 103 19.295 19.295 19.607 -0.312 25104 3289 1 4 . 1 1 103 103 ALA H H 103 8.822 8.822 8.728 0.094 25104 3290 1 4 . 1 1 104 104 GLY N N 104 109.271 109.271 105.523 3.748 25104 3291 1 4 . 1 1 104 104 GLY CA C 104 43.559 43.559 44.953 -1.395 25104 3292 1 4 . 1 1 104 104 GLY H H 104 8.181 8.181 7.885 0.296 25104 3293 1 4 . 1 1 105 105 PRO HA H 105 4.385 4.385 4.563 -0.178 25104 3294 1 4 . 1 1 105 105 PRO C C 105 177.209 177.209 177.145 0.064 25104 3295 1 4 . 1 1 105 105 PRO CA C 105 63.976 63.976 63.243 0.733 25104 3296 1 4 . 1 1 105 105 PRO CB C 105 32.136 32.136 31.940 0.196 25104 3297 1 4 . 1 1 106 106 ASN N N 106 119.146 119.146 119.327 -0.181 25104 3298 1 4 . 1 1 106 106 ASN HA H 106 4.052 4.052 4.607 -0.555 25104 3299 1 4 . 1 1 106 106 ASN C C 106 175.857 175.857 174.686 1.171 25104 3300 1 4 . 1 1 106 106 ASN CA C 106 54.279 54.279 54.808 -0.529 25104 3301 1 4 . 1 1 106 106 ASN CB C 106 37.248 37.248 38.010 -0.762 25104 3302 1 4 . 1 1 106 106 ASN H H 106 8.912 8.912 9.081 -0.169 25104 3303 1 4 . 1 1 107 107 THR N N 107 110.101 110.101 111.304 -1.203 25104 3304 1 4 . 1 1 107 107 THR HA H 107 4.493 4.493 4.388 0.105 25104 3305 1 4 . 1 1 107 107 THR C C 107 174.713 174.713 173.720 0.993 25104 3306 1 4 . 1 1 107 107 THR CA C 107 60.294 60.294 62.359 -2.065 25104 3307 1 4 . 1 1 107 107 THR CB C 107 69.030 69.030 69.438 -0.408 25104 3308 1 4 . 1 1 107 107 THR H H 107 10.191 10.191 7.706 2.485 25104 3309 1 4 . 1 1 108 108 ASN N N 108 120.592 120.592 120.466 0.126 25104 3310 1 4 . 1 1 108 108 ASN HA H 108 4.210 4.210 4.292 -0.082 25104 3311 1 4 . 1 1 108 108 ASN C C 108 175.078 175.078 175.471 -0.393 25104 3312 1 4 . 1 1 108 108 ASN CA C 108 55.287 55.287 53.566 1.721 25104 3313 1 4 . 1 1 108 108 ASN CB C 108 39.036 39.036 38.794 0.242 25104 3314 1 4 . 1 1 108 108 ASN H H 108 7.410 7.410 7.363 0.047 25104 3315 1 4 . 1 1 109 109 GLY N N 109 110.835 110.835 110.695 0.140 25104 3316 1 4 . 1 1 109 109 GLY C C 109 172.087 172.087 172.944 -0.857 25104 3317 1 4 . 1 1 109 109 GLY CA C 109 45.940 45.940 45.449 0.491 25104 3318 1 4 . 1 1 109 109 GLY H H 109 9.192 9.192 8.134 1.058 25104 3319 1 4 . 1 1 110 110 SER N N 110 117.149 117.149 116.247 0.902 25104 3320 1 4 . 1 1 110 110 SER HA H 110 4.751 4.751 4.841 -0.090 25104 3321 1 4 . 1 1 110 110 SER C C 110 177.075 177.075 174.206 2.869 25104 3322 1 4 . 1 1 110 110 SER CA C 110 57.526 57.526 56.378 1.148 25104 3323 1 4 . 1 1 110 110 SER CB C 110 66.180 66.180 65.354 0.826 25104 3324 1 4 . 1 1 110 110 SER H H 110 8.793 8.793 7.508 1.285 25104 3325 1 4 . 1 1 111 111 GLN N N 111 124.594 124.594 119.874 4.720 25104 3326 1 4 . 1 1 111 111 GLN HA H 111 4.225 4.225 4.083 0.142 25104 3327 1 4 . 1 1 111 111 GLN C C 111 179.174 179.174 175.300 3.874 25104 3328 1 4 . 1 1 111 111 GLN CA C 111 58.144 58.144 57.621 0.523 25104 3329 1 4 . 1 1 111 111 GLN CB C 111 31.558 31.558 28.520 3.038 25104 3330 1 4 . 1 1 111 111 GLN H H 111 8.438 8.438 8.481 -0.043 25104 3331 1 4 . 1 1 112 112 PHE N N 112 118.008 118.008 113.861 4.147 25104 3332 1 4 . 1 1 112 112 PHE HA H 112 5.806 5.806 5.097 0.709 25104 3333 1 4 . 1 1 112 112 PHE C C 112 172.840 172.840 173.152 -0.312 25104 3334 1 4 . 1 1 112 112 PHE CA C 112 55.584 55.584 56.476 -0.892 25104 3335 1 4 . 1 1 112 112 PHE CB C 112 43.323 43.323 42.438 0.885 25104 3336 1 4 . 1 1 112 112 PHE H H 112 8.120 8.120 8.337 -0.217 25104 3337 1 4 . 1 1 113 113 PHE N N 113 116.406 116.406 115.954 0.452 25104 3338 1 4 . 1 1 113 113 PHE HA H 113 5.739 5.739 5.206 0.533 25104 3339 1 4 . 1 1 113 113 PHE C C 113 175.349 175.349 173.269 2.080 25104 3340 1 4 . 1 1 113 113 PHE CA C 113 54.684 54.684 55.779 -1.095 25104 3341 1 4 . 1 1 113 113 PHE CB C 113 42.825 42.825 42.215 0.610 25104 3342 1 4 . 1 1 113 113 PHE H H 113 9.832 9.832 8.945 0.887 25104 3343 1 4 . 1 1 114 114 ILE N N 114 118.683 118.683 122.266 -3.583 25104 3344 1 4 . 1 1 114 114 ILE HA H 114 4.842 4.842 4.749 0.093 25104 3345 1 4 . 1 1 114 114 ILE C C 114 178.414 178.414 176.012 2.402 25104 3346 1 4 . 1 1 114 114 ILE CA C 114 60.265 60.265 59.815 0.450 25104 3347 1 4 . 1 1 114 114 ILE CB C 114 40.466 40.466 39.093 1.373 25104 3348 1 4 . 1 1 114 114 ILE H H 114 9.156 9.156 8.792 0.364 25104 3349 1 4 . 1 1 115 115 CYS N N 115 125.524 125.524 129.171 -3.647 25104 3350 1 4 . 1 1 115 115 CYS HA H 115 4.808 4.808 4.390 0.418 25104 3351 1 4 . 1 1 115 115 CYS C C 115 177.658 177.658 176.315 1.343 25104 3352 1 4 . 1 1 115 115 CYS CA C 115 60.803 60.803 59.163 1.641 25104 3353 1 4 . 1 1 115 115 CYS CB C 115 28.723 28.723 26.082 2.641 25104 3354 1 4 . 1 1 115 115 CYS H H 115 9.616 9.616 8.992 0.624 25104 3355 1 4 . 1 1 116 116 THR N N 116 115.801 115.801 118.664 -2.863 25104 3356 1 4 . 1 1 116 116 THR HA H 116 4.380 4.380 4.159 0.221 25104 3357 1 4 . 1 1 116 116 THR C C 116 178.496 178.496 174.570 3.926 25104 3358 1 4 . 1 1 116 116 THR CA C 116 60.844 60.844 64.199 -3.355 25104 3359 1 4 . 1 1 116 116 THR CB C 116 66.730 66.730 69.041 -2.311 25104 3360 1 4 . 1 1 116 116 THR H H 116 8.990 8.990 8.444 0.546 25104 3361 1 4 . 1 1 117 117 ALA N N 117 122.356 122.356 124.277 -1.921 25104 3362 1 4 . 1 1 117 117 ALA HA H 117 4.420 4.420 4.649 -0.230 25104 3363 1 4 . 1 1 117 117 ALA C C 117 176.114 176.114 175.315 0.799 25104 3364 1 4 . 1 1 117 117 ALA CA C 117 50.668 50.668 50.493 0.175 25104 3365 1 4 . 1 1 117 117 ALA CB C 117 22.795 22.795 21.554 1.241 25104 3366 1 4 . 1 1 117 117 ALA H H 117 7.641 7.641 7.408 0.233 25104 3367 1 4 . 1 1 118 118 LYS N N 118 119.855 119.855 117.530 2.325 25104 3368 1 4 . 1 1 118 118 LYS HA H 118 3.840 3.840 4.279 -0.439 25104 3369 1 4 . 1 1 118 118 LYS C C 118 177.211 177.211 176.132 1.079 25104 3370 1 4 . 1 1 118 118 LYS CA C 118 57.913 57.913 56.982 0.931 25104 3371 1 4 . 1 1 118 118 LYS CB C 118 32.708 32.708 32.157 0.551 25104 3372 1 4 . 1 1 118 118 LYS H H 118 8.693 8.693 8.373 0.320 25104 3373 1 4 . 1 1 119 119 THR N N 119 119.004 119.004 114.468 4.536 25104 3374 1 4 . 1 1 119 119 THR HA H 119 3.730 3.730 3.772 -0.042 25104 3375 1 4 . 1 1 119 119 THR C C 119 177.928 177.928 174.218 3.710 25104 3376 1 4 . 1 1 119 119 THR CA C 119 57.301 57.301 59.184 -1.883 25104 3377 1 4 . 1 1 119 119 THR CB C 119 68.717 68.717 68.939 -0.222 25104 3378 1 4 . 1 1 119 119 THR H H 119 7.373 7.373 8.165 -0.792 25104 3379 1 4 . 1 1 120 120 GLU N N 120 124.713 124.713 124.778 -0.065 25104 3380 1 4 . 1 1 120 120 GLU HA H 120 4.162 4.162 4.169 -0.007 25104 3381 1 4 . 1 1 120 120 GLU C C 120 178.190 178.190 177.456 0.734 25104 3382 1 4 . 1 1 120 120 GLU CA C 120 59.334 59.334 58.191 1.143 25104 3383 1 4 . 1 1 120 120 GLU CB C 120 29.322 29.322 29.196 0.126 25104 3384 1 4 . 1 1 120 120 GLU H H 120 9.139 9.139 8.807 0.332 25104 3385 1 4 . 1 1 121 121 TRP N N 121 117.782 117.782 116.894 0.888 25104 3386 1 4 . 1 1 121 121 TRP HA H 121 4.716 4.716 4.619 0.097 25104 3387 1 4 . 1 1 121 121 TRP C C 121 177.244 177.244 175.871 1.373 25104 3388 1 4 . 1 1 121 121 TRP CA C 121 59.748 59.748 57.160 2.588 25104 3389 1 4 . 1 1 121 121 TRP CB C 121 26.947 26.947 28.938 -1.990 25104 3390 1 4 . 1 1 121 121 TRP H H 121 7.297 7.297 7.668 -0.371 25104 3391 1 4 . 1 1 122 122 LEU N N 122 119.806 119.806 119.191 0.615 25104 3392 1 4 . 1 1 122 122 LEU HA H 122 4.315 4.315 4.424 -0.109 25104 3393 1 4 . 1 1 122 122 LEU C C 122 173.304 173.304 176.443 -3.139 25104 3394 1 4 . 1 1 122 122 LEU CA C 122 54.543 54.543 54.018 0.525 25104 3395 1 4 . 1 1 122 122 LEU CB C 122 39.075 39.075 40.724 -1.649 25104 3396 1 4 . 1 1 122 122 LEU H H 122 7.037 7.037 6.835 0.202 25104 3397 1 4 . 1 1 123 123 ASP N N 123 122.205 122.205 121.649 0.556 25104 3398 1 4 . 1 1 123 123 ASP HA H 123 5.222 5.222 4.814 0.408 25104 3399 1 4 . 1 1 123 123 ASP C C 123 179.276 179.276 177.022 2.254 25104 3400 1 4 . 1 1 123 123 ASP CA C 123 55.889 55.889 55.635 0.254 25104 3401 1 4 . 1 1 123 123 ASP CB C 123 39.517 39.517 40.432 -0.915 25104 3402 1 4 . 1 1 123 123 ASP H H 123 7.643 7.643 7.431 0.212 25104 3403 1 4 . 1 1 124 124 GLY N N 124 111.205 111.205 112.188 -0.983 25104 3404 1 4 . 1 1 124 124 GLY C C 124 173.148 173.148 174.960 -1.812 25104 3405 1 4 . 1 1 124 124 GLY CA C 124 45.114 45.114 44.913 0.201 25104 3406 1 4 . 1 1 124 124 GLY H H 124 9.550 9.550 8.742 0.808 25104 3407 1 4 . 1 1 125 125 LYS N N 125 115.408 115.408 121.835 -6.427 25104 3408 1 4 . 1 1 125 125 LYS HA H 125 4.173 4.173 4.464 -0.291 25104 3409 1 4 . 1 1 125 125 LYS C C 125 176.351 176.351 176.308 0.043 25104 3410 1 4 . 1 1 125 125 LYS CA C 125 56.341 56.341 55.504 0.837 25104 3411 1 4 . 1 1 125 125 LYS CB C 125 35.504 35.504 33.036 2.468 25104 3412 1 4 . 1 1 125 125 LYS H H 125 7.765 7.765 7.612 0.153 25104 3413 1 4 . 1 1 126 126 HIS N N 126 119.526 119.526 118.946 0.580 25104 3414 1 4 . 1 1 126 126 HIS HA H 126 4.863 4.863 4.574 0.289 25104 3415 1 4 . 1 1 126 126 HIS C C 126 174.784 174.784 176.879 -2.095 25104 3416 1 4 . 1 1 126 126 HIS CA C 126 54.923 54.923 56.968 -2.045 25104 3417 1 4 . 1 1 126 126 HIS CB C 126 31.675 31.675 30.595 1.080 25104 3418 1 4 . 1 1 126 126 HIS H H 126 7.600 7.600 8.478 -0.878 25104 3419 1 4 . 1 1 127 127 VAL N N 127 125.009 125.009 125.839 -0.830 25104 3420 1 4 . 1 1 127 127 VAL HA H 127 4.307 4.307 3.548 0.759 25104 3421 1 4 . 1 1 127 127 VAL C C 127 176.442 176.442 175.729 0.713 25104 3422 1 4 . 1 1 127 127 VAL CA C 127 63.893 63.893 63.407 0.486 25104 3423 1 4 . 1 1 127 127 VAL CB C 127 33.553 33.553 31.105 2.448 25104 3424 1 4 . 1 1 127 127 VAL H H 127 8.523 8.523 7.577 0.946 25104 3425 1 4 . 1 1 128 128 VAL N N 128 133.065 133.065 123.415 9.650 25104 3426 1 4 . 1 1 128 128 VAL HA H 128 4.176 4.176 3.518 0.658 25104 3427 1 4 . 1 1 128 128 VAL C C 128 176.113 176.113 175.473 0.640 25104 3428 1 4 . 1 1 128 128 VAL CA C 128 63.172 63.172 63.660 -0.487 25104 3429 1 4 . 1 1 128 128 VAL CB C 128 31.612 31.612 31.846 -0.234 25104 3430 1 4 . 1 1 128 128 VAL H H 128 9.474 9.474 7.766 1.708 25104 3431 1 4 . 1 1 129 129 PHE N N 129 117.892 117.892 119.056 -1.164 25104 3432 1 4 . 1 1 129 129 PHE HA H 129 5.308 5.308 5.000 0.308 25104 3433 1 4 . 1 1 129 129 PHE C C 129 173.725 173.725 173.993 -0.268 25104 3434 1 4 . 1 1 129 129 PHE CA C 129 55.969 55.969 56.344 -0.375 25104 3435 1 4 . 1 1 129 129 PHE CB C 129 42.581 42.581 41.015 1.566 25104 3436 1 4 . 1 1 129 129 PHE H H 129 8.138 8.138 7.711 0.427 25104 3437 1 4 . 1 1 130 130 GLY N N 130 110.747 110.747 106.920 3.827 25104 3438 1 4 . 1 1 130 130 GLY C C 130 171.591 171.591 171.771 -0.180 25104 3439 1 4 . 1 1 130 130 GLY CA C 130 46.505 46.505 44.678 1.827 25104 3440 1 4 . 1 1 130 130 GLY H H 130 7.356 7.356 7.362 -0.006 25104 3441 1 4 . 1 1 131 131 LYS N N 131 115.453 115.453 121.114 -5.661 25104 3442 1 4 . 1 1 131 131 LYS HA H 131 5.246 5.246 5.063 0.183 25104 3443 1 4 . 1 1 131 131 LYS C C 131 176.109 176.109 175.327 0.782 25104 3444 1 4 . 1 1 131 131 LYS CA C 131 54.887 54.887 55.483 -0.596 25104 3445 1 4 . 1 1 131 131 LYS CB C 131 36.077 36.077 37.200 -1.123 25104 3446 1 4 . 1 1 131 131 LYS H H 131 8.390 8.390 8.210 0.180 25104 3447 1 4 . 1 1 132 132 VAL N N 132 124.311 124.311 129.582 -5.271 25104 3448 1 4 . 1 1 132 132 VAL HA H 132 3.955 3.955 3.981 -0.026 25104 3449 1 4 . 1 1 132 132 VAL C C 132 176.489 176.489 175.411 1.078 25104 3450 1 4 . 1 1 132 132 VAL CA C 132 64.284 64.284 63.495 0.789 25104 3451 1 4 . 1 1 132 132 VAL CB C 132 32.709 32.709 32.154 0.555 25104 3452 1 4 . 1 1 132 132 VAL H H 132 9.071 9.071 8.680 0.391 25104 3453 1 4 . 1 1 133 133 LYS N N 133 131.670 131.670 127.773 3.897 25104 3454 1 4 . 1 1 133 133 LYS HA H 133 4.483 4.483 4.269 0.214 25104 3455 1 4 . 1 1 133 133 LYS C C 133 176.283 176.283 177.041 -0.758 25104 3456 1 4 . 1 1 133 133 LYS CA C 133 56.978 56.978 57.293 -0.315 25104 3457 1 4 . 1 1 133 133 LYS CB C 133 34.028 34.028 33.006 1.022 25104 3458 1 4 . 1 1 133 133 LYS H H 133 9.494 9.494 8.538 0.956 25104 3459 1 4 . 1 1 134 134 GLU N N 134 118.417 118.417 119.093 -0.676 25104 3460 1 4 . 1 1 134 134 GLU HA H 134 4.639 4.639 4.585 0.054 25104 3461 1 4 . 1 1 134 134 GLU C C 134 175.925 175.925 175.770 0.155 25104 3462 1 4 . 1 1 134 134 GLU CA C 134 55.235 55.235 55.264 -0.029 25104 3463 1 4 . 1 1 134 134 GLU CB C 134 32.909 32.909 32.777 0.132 25104 3464 1 4 . 1 1 134 134 GLU H H 134 7.571 7.571 7.469 0.102 25104 3465 1 4 . 1 1 135 135 GLY N N 135 108.109 108.109 110.774 -2.665 25104 3466 1 4 . 1 1 135 135 GLY C C 135 178.060 178.060 175.263 2.797 25104 3467 1 4 . 1 1 135 135 GLY CA C 135 46.195 46.195 45.897 0.298 25104 3468 1 4 . 1 1 135 135 GLY H H 135 8.695 8.695 8.914 -0.219 25104 3469 1 4 . 1 1 136 136 MET N N 136 122.582 122.582 119.455 3.127 25104 3470 1 4 . 1 1 136 136 MET HA H 136 4.496 4.496 4.241 0.255 25104 3471 1 4 . 1 1 136 136 MET C C 136 178.649 178.649 176.864 1.785 25104 3472 1 4 . 1 1 136 136 MET CA C 136 56.829 56.829 56.480 0.349 25104 3473 1 4 . 1 1 136 136 MET CB C 136 30.215 30.215 32.349 -2.134 25104 3474 1 4 . 1 1 136 136 MET H H 136 8.854 8.854 8.222 0.632 25104 3475 1 4 . 1 1 137 137 ASN N N 137 114.457 114.457 117.169 -2.712 25104 3476 1 4 . 1 1 137 137 ASN HA H 137 4.504 4.504 4.598 -0.094 25104 3477 1 4 . 1 1 137 137 ASN C C 137 178.441 178.441 177.942 0.499 25104 3478 1 4 . 1 1 137 137 ASN CA C 137 55.819 55.819 56.607 -0.788 25104 3479 1 4 . 1 1 137 137 ASN CB C 137 36.016 36.016 37.878 -1.862 25104 3480 1 4 . 1 1 137 137 ASN H H 137 8.932 8.932 8.429 0.503 25104 3481 1 4 . 1 1 138 138 ILE N N 138 124.190 124.190 119.860 4.330 25104 3482 1 4 . 1 1 138 138 ILE HA H 138 3.800 3.800 3.803 -0.003 25104 3483 1 4 . 1 1 138 138 ILE C C 138 178.595 178.595 177.963 0.632 25104 3484 1 4 . 1 1 138 138 ILE CA C 138 61.581 61.581 63.980 -2.399 25104 3485 1 4 . 1 1 138 138 ILE CB C 138 34.468 34.468 36.977 -2.509 25104 3486 1 4 . 1 1 138 138 ILE H H 138 7.686 7.686 7.580 0.106 25104 3487 1 4 . 1 1 139 139 VAL N N 139 121.912 121.912 119.504 2.408 25104 3488 1 4 . 1 1 139 139 VAL HA H 139 3.879 3.879 3.528 0.351 25104 3489 1 4 . 1 1 139 139 VAL C C 139 179.051 179.051 178.447 0.604 25104 3490 1 4 . 1 1 139 139 VAL CA C 139 66.206 66.206 66.995 -0.789 25104 3491 1 4 . 1 1 139 139 VAL CB C 139 31.195 31.195 31.236 -0.041 25104 3492 1 4 . 1 1 139 139 VAL H H 139 7.286 7.286 7.658 -0.372 25104 3493 1 4 . 1 1 140 140 GLU N N 140 117.357 117.357 119.023 -1.666 25104 3494 1 4 . 1 1 140 140 GLU HA H 140 4.095 4.095 3.992 0.103 25104 3495 1 4 . 1 1 140 140 GLU C C 140 180.486 180.486 178.975 1.511 25104 3496 1 4 . 1 1 140 140 GLU CA C 140 59.336 59.336 59.271 0.065 25104 3497 1 4 . 1 1 140 140 GLU CB C 140 30.199 30.199 29.412 0.787 25104 3498 1 4 . 1 1 140 140 GLU H H 140 8.309 8.309 8.017 0.292 25104 3499 1 4 . 1 1 141 141 ALA N N 141 121.133 121.133 121.477 -0.344 25104 3500 1 4 . 1 1 141 141 ALA HA H 141 4.118 4.118 4.216 -0.098 25104 3501 1 4 . 1 1 141 141 ALA C C 141 181.524 181.524 179.058 2.466 25104 3502 1 4 . 1 1 141 141 ALA CA C 141 54.771 54.771 54.532 0.239 25104 3503 1 4 . 1 1 141 141 ALA CB C 141 18.207 18.207 18.605 -0.398 25104 3504 1 4 . 1 1 141 141 ALA H H 141 7.539 7.539 7.587 -0.048 25104 3505 1 4 . 1 1 142 142 MET N N 142 117.513 117.513 115.942 1.571 25104 3506 1 4 . 1 1 142 142 MET HA H 142 3.993 3.993 4.763 -0.770 25104 3507 1 4 . 1 1 142 142 MET C C 142 178.862 178.862 178.625 0.237 25104 3508 1 4 . 1 1 142 142 MET CA C 142 59.678 59.678 58.153 1.525 25104 3509 1 4 . 1 1 142 142 MET CB C 142 33.723 33.723 32.859 0.864 25104 3510 1 4 . 1 1 142 142 MET H H 142 8.284 8.284 7.733 0.551 25104 3511 1 4 . 1 1 143 143 GLU N N 143 116.365 116.365 121.169 -4.804 25104 3512 1 4 . 1 1 143 143 GLU HA H 143 3.772 3.772 4.101 -0.329 25104 3513 1 4 . 1 1 143 143 GLU C C 143 179.051 179.051 178.907 0.144 25104 3514 1 4 . 1 1 143 143 GLU CA C 143 59.345 59.345 59.317 0.028 25104 3515 1 4 . 1 1 143 143 GLU CB C 143 30.470 30.470 29.284 1.186 25104 3516 1 4 . 1 1 143 143 GLU H H 143 7.853 7.853 8.097 -0.244 25104 3517 1 4 . 1 1 144 144 ARG N N 144 114.753 114.753 117.625 -2.872 25104 3518 1 4 . 1 1 144 144 ARG HA H 144 3.978 3.978 4.109 -0.131 25104 3519 1 4 . 1 1 144 144 ARG C C 144 178.222 178.222 177.427 0.795 25104 3520 1 4 . 1 1 144 144 ARG CA C 144 57.669 57.669 57.995 -0.326 25104 3521 1 4 . 1 1 144 144 ARG CB C 144 29.523 29.523 30.027 -0.504 25104 3522 1 4 . 1 1 144 144 ARG H H 144 7.082 7.082 7.704 -0.622 25104 3523 1 4 . 1 1 145 145 PHE N N 145 115.388 115.388 116.174 -0.786 25104 3524 1 4 . 1 1 145 145 PHE HA H 145 4.851 4.851 4.516 0.335 25104 3525 1 4 . 1 1 145 145 PHE C C 145 176.868 176.868 175.971 0.897 25104 3526 1 4 . 1 1 145 145 PHE CA C 145 57.717 57.717 59.122 -1.405 25104 3527 1 4 . 1 1 145 145 PHE CB C 145 38.998 38.998 39.364 -0.366 25104 3528 1 4 . 1 1 145 145 PHE H H 145 7.651 7.651 7.694 -0.043 25104 3529 1 4 . 1 1 146 146 GLY N N 146 104.842 104.842 106.872 -2.030 25104 3530 1 4 . 1 1 146 146 GLY C C 146 172.946 172.946 173.834 -0.888 25104 3531 1 4 . 1 1 146 146 GLY CA C 146 44.065 44.065 44.911 -0.846 25104 3532 1 4 . 1 1 146 146 GLY H H 146 7.551 7.551 7.537 0.014 25104 3533 1 4 . 1 1 147 147 SER N N 147 110.079 110.079 113.943 -3.864 25104 3534 1 4 . 1 1 147 147 SER HA H 147 4.813 4.813 4.821 -0.008 25104 3535 1 4 . 1 1 147 147 SER C C 147 176.384 176.384 175.780 0.604 25104 3536 1 4 . 1 1 147 147 SER CA C 147 58.165 58.165 56.583 1.582 25104 3537 1 4 . 1 1 147 147 SER CB C 147 65.804 65.804 66.335 -0.531 25104 3538 1 4 . 1 1 147 147 SER H H 147 8.229 8.229 8.031 0.198 25104 3539 1 4 . 1 1 148 148 ARG N N 148 120.299 120.299 122.277 -1.978 25104 3540 1 4 . 1 1 148 148 ARG HA H 148 4.221 4.221 4.127 0.094 25104 3541 1 4 . 1 1 148 148 ARG C C 148 177.709 177.709 176.592 1.117 25104 3542 1 4 . 1 1 148 148 ARG CA C 148 59.810 59.810 58.910 0.900 25104 3543 1 4 . 1 1 148 148 ARG CB C 148 29.896 29.896 29.351 0.545 25104 3544 1 4 . 1 1 148 148 ARG H H 148 8.850 8.850 8.781 0.069 25104 3545 1 4 . 1 1 149 149 ASN N N 149 111.689 111.689 114.549 -2.860 25104 3546 1 4 . 1 1 149 149 ASN HA H 149 4.901 4.901 4.654 0.247 25104 3547 1 4 . 1 1 149 149 ASN C C 149 177.708 177.708 175.749 1.959 25104 3548 1 4 . 1 1 149 149 ASN CA C 149 52.305 52.305 52.986 -0.681 25104 3549 1 4 . 1 1 149 149 ASN CB C 149 38.477 38.477 38.150 0.327 25104 3550 1 4 . 1 1 149 149 ASN H H 149 7.891 7.891 8.115 -0.224 25104 3551 1 4 . 1 1 150 150 GLY N N 150 110.138 110.138 107.917 2.221 25104 3552 1 4 . 1 1 150 150 GLY C C 150 174.368 174.368 174.074 0.294 25104 3553 1 4 . 1 1 150 150 GLY CA C 150 45.257 45.257 44.808 0.449 25104 3554 1 4 . 1 1 150 150 GLY H H 150 8.087 8.087 7.936 0.151 25104 3555 1 4 . 1 1 151 151 LYS N N 151 119.859 119.859 122.460 -2.601 25104 3556 1 4 . 1 1 151 151 LYS HA H 151 4.466 4.466 4.309 0.157 25104 3557 1 4 . 1 1 151 151 LYS C C 151 179.533 179.533 176.046 3.487 25104 3558 1 4 . 1 1 151 151 LYS CA C 151 57.088 57.088 56.622 0.466 25104 3559 1 4 . 1 1 151 151 LYS CB C 151 32.435 32.435 33.392 -0.957 25104 3560 1 4 . 1 1 151 151 LYS H H 151 7.534 7.534 7.894 -0.360 25104 3561 1 4 . 1 1 152 152 THR N N 152 116.442 116.442 116.721 -0.279 25104 3562 1 4 . 1 1 152 152 THR HA H 152 5.579 5.579 4.594 0.985 25104 3563 1 4 . 1 1 152 152 THR C C 152 176.969 176.969 174.736 2.233 25104 3564 1 4 . 1 1 152 152 THR CA C 152 60.097 60.097 60.709 -0.612 25104 3565 1 4 . 1 1 152 152 THR CB C 152 71.324 71.324 69.704 1.620 25104 3566 1 4 . 1 1 152 152 THR H H 152 8.837 8.837 8.322 0.515 25104 3567 1 4 . 1 1 153 153 SER N N 153 117.113 117.113 121.434 -4.321 25104 3568 1 4 . 1 1 153 153 SER HA H 153 4.574 4.574 4.283 0.291 25104 3569 1 4 . 1 1 153 153 SER C C 153 175.737 175.737 174.941 0.796 25104 3570 1 4 . 1 1 153 153 SER CA C 153 58.222 58.222 61.221 -2.999 25104 3571 1 4 . 1 1 153 153 SER CB C 153 63.922 63.922 63.612 0.310 25104 3572 1 4 . 1 1 153 153 SER H H 153 9.424 9.424 8.885 0.539 25104 3573 1 4 . 1 1 154 154 LYS N N 154 119.347 119.347 118.787 0.560 25104 3574 1 4 . 1 1 154 154 LYS HA H 154 4.594 4.594 4.489 0.105 25104 3575 1 4 . 1 1 154 154 LYS C C 154 175.436 175.436 175.710 -0.274 25104 3576 1 4 . 1 1 154 154 LYS CA C 154 54.578 54.578 53.967 0.611 25104 3577 1 4 . 1 1 154 154 LYS CB C 154 38.443 38.443 34.044 4.399 25104 3578 1 4 . 1 1 154 154 LYS H H 154 7.566 7.566 7.732 -0.166 25104 3579 1 4 . 1 1 155 155 LYS N N 155 121.869 121.869 124.193 -2.324 25104 3580 1 4 . 1 1 155 155 LYS HA H 155 4.348 4.348 4.350 -0.002 25104 3581 1 4 . 1 1 155 155 LYS C C 155 176.946 176.946 176.069 0.877 25104 3582 1 4 . 1 1 155 155 LYS CA C 155 56.325 56.325 55.366 0.959 25104 3583 1 4 . 1 1 155 155 LYS CB C 155 32.136 32.136 31.103 1.033 25104 3584 1 4 . 1 1 155 155 LYS H H 155 8.820 8.820 8.400 0.420 25104 3585 1 4 . 1 1 156 156 ILE N N 156 134.145 134.145 129.058 5.087 25104 3586 1 4 . 1 1 156 156 ILE HA H 156 5.134 5.134 4.516 0.618 25104 3587 1 4 . 1 1 156 156 ILE C C 156 177.451 177.451 175.513 1.938 25104 3588 1 4 . 1 1 156 156 ILE CA C 156 59.538 59.538 61.018 -1.480 25104 3589 1 4 . 1 1 156 156 ILE CB C 156 37.167 37.167 37.922 -0.755 25104 3590 1 4 . 1 1 156 156 ILE H H 156 9.609 9.609 7.953 1.656 25104 3591 1 4 . 1 1 157 157 THR N N 157 117.447 117.447 119.102 -1.655 25104 3592 1 4 . 1 1 157 157 THR HA H 157 5.311 5.311 4.925 0.386 25104 3593 1 4 . 1 1 157 157 THR C C 157 174.572 174.572 173.915 0.657 25104 3594 1 4 . 1 1 157 157 THR CA C 157 59.679 59.679 59.540 0.139 25104 3595 1 4 . 1 1 157 157 THR CB C 157 72.708 72.708 71.811 0.897 25104 3596 1 4 . 1 1 157 157 THR H H 157 9.281 9.281 8.655 0.626 25104 3597 1 4 . 1 1 158 158 ILE N N 158 121.950 121.950 123.301 -1.351 25104 3598 1 4 . 1 1 158 158 ILE HA H 158 4.293 4.293 4.453 -0.160 25104 3599 1 4 . 1 1 158 158 ILE C C 158 175.631 175.631 176.558 -0.927 25104 3600 1 4 . 1 1 158 158 ILE CA C 158 60.992 60.992 61.346 -0.354 25104 3601 1 4 . 1 1 158 158 ILE CB C 158 36.826 36.826 37.173 -0.347 25104 3602 1 4 . 1 1 158 158 ILE H H 158 8.624 8.624 8.324 0.300 25104 3603 1 4 . 1 1 159 159 ALA N N 159 132.727 132.727 131.453 1.274 25104 3604 1 4 . 1 1 159 159 ALA HA H 159 4.179 4.179 4.067 0.112 25104 3605 1 4 . 1 1 159 159 ALA C C 159 179.489 179.489 177.243 2.246 25104 3606 1 4 . 1 1 159 159 ALA CA C 159 54.243 54.243 54.911 -0.668 25104 3607 1 4 . 1 1 159 159 ALA CB C 159 18.804 18.804 19.282 -0.478 25104 3608 1 4 . 1 1 159 159 ALA H H 159 8.910 8.910 8.709 0.201 25104 3609 1 4 . 1 1 160 160 ASP N N 160 111.561 111.561 114.080 -2.519 25104 3610 1 4 . 1 1 160 160 ASP HA H 160 4.937 4.937 5.015 -0.078 25104 3611 1 4 . 1 1 160 160 ASP C C 160 173.920 173.920 174.522 -0.602 25104 3612 1 4 . 1 1 160 160 ASP CA C 160 52.873 52.873 54.013 -1.140 25104 3613 1 4 . 1 1 160 160 ASP CB C 160 43.620 43.620 44.251 -0.631 25104 3614 1 4 . 1 1 160 160 ASP H H 160 8.107 8.107 7.898 0.209 25104 3615 1 4 . 1 1 161 161 CYS N N 161 116.145 116.145 116.723 -0.578 25104 3616 1 4 . 1 1 161 161 CYS HA H 161 4.626 4.626 5.753 -1.127 25104 3617 1 4 . 1 1 161 161 CYS C C 161 173.426 173.426 173.961 -0.535 25104 3618 1 4 . 1 1 161 161 CYS CA C 161 55.518 55.518 56.341 -0.823 25104 3619 1 4 . 1 1 161 161 CYS CB C 161 31.463 31.463 32.318 -0.855 25104 3620 1 4 . 1 1 161 161 CYS H H 161 8.640 8.640 8.536 0.104 25104 3621 1 4 . 1 1 162 162 GLY N N 162 104.114 104.114 107.429 -3.315 25104 3622 1 4 . 1 1 162 162 GLY C C 162 171.116 171.116 174.126 -3.010 25104 3623 1 4 . 1 1 162 162 GLY CA C 162 45.436 45.436 44.770 0.666 25104 3624 1 4 . 1 1 162 162 GLY H H 162 6.889 6.889 8.198 -1.309 25104 3625 1 4 . 1 1 163 163 GLN N N 163 121.022 121.022 120.995 0.027 25104 3626 1 4 . 1 1 163 163 GLN HA H 163 5.150 5.150 4.079 1.071 25104 3627 1 4 . 1 1 163 163 GLN C C 163 176.548 176.548 175.071 1.477 25104 3628 1 4 . 1 1 163 163 GLN CA C 163 54.794 54.794 56.501 -1.707 25104 3629 1 4 . 1 1 163 163 GLN CB C 163 30.765 30.765 29.002 1.763 25104 3630 1 4 . 1 1 163 163 GLN H H 163 9.062 9.062 8.110 0.952 25104 3631 1 4 . 1 1 164 164 LEU N N 164 126.034 126.034 129.701 -3.667 25104 3632 1 4 . 1 1 164 164 LEU HA H 164 4.641 4.641 4.401 0.240 25104 3633 1 4 . 1 1 164 164 LEU C C 164 177.108 177.108 175.593 1.515 25104 3634 1 4 . 1 1 164 164 LEU CA C 164 55.036 55.036 54.149 0.887 25104 3635 1 4 . 1 1 164 164 LEU CB C 164 43.560 43.560 40.859 2.701 25104 3636 1 4 . 1 1 164 164 LEU H H 164 8.639 8.639 8.317 0.322 25104 3637 1 5 . 1 1 2 2 VAL N N 2 111.261 111.261 125.515 -14.254 25104 3638 1 5 . 1 1 2 2 VAL HA H 2 4.126 4.126 4.430 -0.304 25104 3639 1 5 . 1 1 2 2 VAL C C 2 176.404 176.404 173.784 2.620 25104 3640 1 5 . 1 1 2 2 VAL CA C 2 61.417 61.417 61.938 -0.521 25104 3641 1 5 . 1 1 2 2 VAL CB C 2 33.763 33.763 33.367 0.396 25104 3642 1 5 . 1 1 2 2 VAL H H 2 8.447 8.447 8.586 -0.139 25104 3643 1 5 . 1 1 3 3 ASN N N 3 126.056 126.056 126.183 -0.127 25104 3644 1 5 . 1 1 3 3 ASN HA H 3 5.205 5.205 5.565 -0.360 25104 3645 1 5 . 1 1 3 3 ASN CA C 3 50.987 50.987 50.457 0.530 25104 3646 1 5 . 1 1 3 3 ASN CB C 3 38.031 38.031 39.428 -1.397 25104 3647 1 5 . 1 1 3 3 ASN H H 3 8.666 8.666 8.353 0.313 25104 3648 1 5 . 1 1 4 4 PRO HA H 4 4.818 4.818 4.485 0.333 25104 3649 1 5 . 1 1 4 4 PRO C C 4 176.242 176.242 176.250 -0.008 25104 3650 1 5 . 1 1 4 4 PRO CA C 4 62.832 62.832 62.603 0.229 25104 3651 1 5 . 1 1 4 4 PRO CB C 4 33.162 33.162 32.785 0.377 25104 3652 1 5 . 1 1 5 5 THR N N 5 115.265 115.265 117.718 -2.453 25104 3653 1 5 . 1 1 5 5 THR HA H 5 5.759 5.759 5.122 0.637 25104 3654 1 5 . 1 1 5 5 THR C C 5 176.483 176.483 174.408 2.075 25104 3655 1 5 . 1 1 5 5 THR CA C 5 60.867 60.867 61.696 -0.829 25104 3656 1 5 . 1 1 5 5 THR CB C 5 71.050 71.050 70.435 0.615 25104 3657 1 5 . 1 1 5 5 THR H H 5 8.787 8.787 8.063 0.724 25104 3658 1 5 . 1 1 6 6 VAL N N 6 120.640 120.640 125.583 -4.943 25104 3659 1 5 . 1 1 6 6 VAL HA H 6 5.379 5.379 4.235 1.144 25104 3660 1 5 . 1 1 6 6 VAL C C 6 174.710 174.710 174.292 0.418 25104 3661 1 5 . 1 1 6 6 VAL CA C 6 58.881 58.881 61.322 -2.441 25104 3662 1 5 . 1 1 6 6 VAL CB C 6 36.180 36.180 34.022 2.158 25104 3663 1 5 . 1 1 6 6 VAL H H 6 8.805 8.805 8.530 0.275 25104 3664 1 5 . 1 1 7 7 PHE N N 7 119.359 119.359 125.963 -6.604 25104 3665 1 5 . 1 1 7 7 PHE HA H 7 5.948 5.948 5.117 0.831 25104 3666 1 5 . 1 1 7 7 PHE C C 7 173.634 173.634 173.678 -0.044 25104 3667 1 5 . 1 1 7 7 PHE CA C 7 55.925 55.925 56.284 -0.359 25104 3668 1 5 . 1 1 7 7 PHE CB C 7 43.166 43.166 41.892 1.274 25104 3669 1 5 . 1 1 7 7 PHE H H 7 8.995 8.995 8.373 0.622 25104 3670 1 5 . 1 1 8 8 PHE N N 8 117.097 117.097 124.825 -7.728 25104 3671 1 5 . 1 1 8 8 PHE HA H 8 5.367 5.367 5.319 0.048 25104 3672 1 5 . 1 1 8 8 PHE C C 8 176.000 176.000 174.042 1.958 25104 3673 1 5 . 1 1 8 8 PHE CA C 8 53.460 53.460 54.887 -1.427 25104 3674 1 5 . 1 1 8 8 PHE CB C 8 42.791 42.791 43.594 -0.804 25104 3675 1 5 . 1 1 8 8 PHE H H 8 9.571 9.571 8.554 1.017 25104 3676 1 5 . 1 1 9 9 ASP N N 9 124.287 124.287 121.457 2.830 25104 3677 1 5 . 1 1 9 9 ASP HA H 9 5.585 5.585 5.170 0.415 25104 3678 1 5 . 1 1 9 9 ASP C C 9 176.286 176.286 175.078 1.208 25104 3679 1 5 . 1 1 9 9 ASP CA C 9 54.831 54.831 53.712 1.119 25104 3680 1 5 . 1 1 9 9 ASP CB C 9 41.366 41.366 43.721 -2.356 25104 3681 1 5 . 1 1 9 9 ASP H H 9 9.301 9.301 8.712 0.589 25104 3682 1 5 . 1 1 10 10 ILE N N 10 124.286 124.286 123.560 0.726 25104 3683 1 5 . 1 1 10 10 ILE HA H 10 5.213 5.213 4.306 0.907 25104 3684 1 5 . 1 1 10 10 ILE C C 10 177.031 177.031 174.759 2.272 25104 3685 1 5 . 1 1 10 10 ILE CA C 10 58.233 58.233 59.136 -0.903 25104 3686 1 5 . 1 1 10 10 ILE CB C 10 37.769 37.769 37.030 0.739 25104 3687 1 5 . 1 1 10 10 ILE H H 10 9.059 9.059 8.408 0.651 25104 3688 1 5 . 1 1 11 11 ALA N N 11 132.503 132.503 131.247 1.256 25104 3689 1 5 . 1 1 11 11 ALA HA H 11 5.216 5.216 4.985 0.231 25104 3690 1 5 . 1 1 11 11 ALA C C 11 175.928 175.928 175.600 0.328 25104 3691 1 5 . 1 1 11 11 ALA CA C 11 50.948 50.948 50.177 0.771 25104 3692 1 5 . 1 1 11 11 ALA CB C 11 22.804 22.804 22.101 0.703 25104 3693 1 5 . 1 1 11 11 ALA H H 11 9.642 9.642 8.965 0.677 25104 3694 1 5 . 1 1 12 12 VAL N N 12 118.551 118.551 125.137 -6.586 25104 3695 1 5 . 1 1 12 12 VAL HA H 12 4.578 4.578 3.936 0.642 25104 3696 1 5 . 1 1 12 12 VAL C C 12 177.347 177.347 175.770 1.577 25104 3697 1 5 . 1 1 12 12 VAL CA C 12 60.457 60.457 62.096 -1.639 25104 3698 1 5 . 1 1 12 12 VAL CB C 12 33.301 33.301 31.294 2.007 25104 3699 1 5 . 1 1 12 12 VAL H H 12 8.984 8.984 8.394 0.590 25104 3700 1 5 . 1 1 13 13 ASP N N 13 131.009 131.009 128.991 2.018 25104 3701 1 5 . 1 1 13 13 ASP HA H 13 4.359 4.359 4.260 0.099 25104 3702 1 5 . 1 1 13 13 ASP C C 13 176.795 176.795 176.436 0.359 25104 3703 1 5 . 1 1 13 13 ASP CA C 13 55.880 55.880 55.377 0.504 25104 3704 1 5 . 1 1 13 13 ASP CB C 13 39.999 39.999 39.031 0.968 25104 3705 1 5 . 1 1 13 13 ASP H H 13 9.868 9.868 9.094 0.774 25104 3706 1 5 . 1 1 14 14 GLY N N 14 101.848 101.848 103.230 -1.382 25104 3707 1 5 . 1 1 14 14 GLY C C 14 174.700 174.700 174.256 0.444 25104 3708 1 5 . 1 1 14 14 GLY CA C 14 45.303 45.303 45.179 0.124 25104 3709 1 5 . 1 1 14 14 GLY H H 14 8.578 8.578 8.339 0.239 25104 3710 1 5 . 1 1 15 15 GLU N N 15 123.331 123.331 121.603 1.728 25104 3711 1 5 . 1 1 15 15 GLU HA H 15 4.891 4.891 4.693 0.198 25104 3712 1 5 . 1 1 15 15 GLU CA C 15 52.932 52.932 52.919 0.013 25104 3713 1 5 . 1 1 15 15 GLU CB C 15 30.468 30.468 29.761 0.707 25104 3714 1 5 . 1 1 15 15 GLU H H 15 8.086 8.086 7.600 0.486 25104 3715 1 5 . 1 1 16 16 PRO HA H 16 4.240 4.240 4.477 -0.237 25104 3716 1 5 . 1 1 16 16 PRO C C 16 177.072 177.072 176.297 0.775 25104 3717 1 5 . 1 1 16 16 PRO CA C 16 64.838 64.838 63.097 1.741 25104 3718 1 5 . 1 1 16 16 PRO CB C 16 32.368 32.368 31.627 0.741 25104 3719 1 5 . 1 1 17 17 LEU N N 17 126.051 126.051 126.824 -0.773 25104 3720 1 5 . 1 1 17 17 LEU HA H 17 4.739 4.739 4.237 0.502 25104 3721 1 5 . 1 1 17 17 LEU C C 17 176.975 176.975 176.488 0.487 25104 3722 1 5 . 1 1 17 17 LEU CA C 17 55.511 55.511 55.656 -0.145 25104 3723 1 5 . 1 1 17 17 LEU CB C 17 44.257 44.257 43.000 1.257 25104 3724 1 5 . 1 1 17 17 LEU H H 17 9.237 9.237 8.632 0.605 25104 3725 1 5 . 1 1 18 18 GLY N N 18 102.496 102.496 105.285 -2.789 25104 3726 1 5 . 1 1 18 18 GLY C C 18 170.997 170.997 171.376 -0.379 25104 3727 1 5 . 1 1 18 18 GLY CA C 18 44.713 44.713 44.736 -0.023 25104 3728 1 5 . 1 1 18 18 GLY H H 18 7.303 7.303 7.482 -0.179 25104 3729 1 5 . 1 1 19 19 ARG N N 19 121.330 121.330 119.477 1.853 25104 3730 1 5 . 1 1 19 19 ARG HA H 19 5.665 5.665 4.746 0.919 25104 3731 1 5 . 1 1 19 19 ARG C C 19 176.011 176.011 174.803 1.208 25104 3732 1 5 . 1 1 19 19 ARG CA C 19 55.106 55.106 54.858 0.248 25104 3733 1 5 . 1 1 19 19 ARG CB C 19 33.587 33.587 32.345 1.242 25104 3734 1 5 . 1 1 19 19 ARG H H 19 8.348 8.348 8.269 0.079 25104 3735 1 5 . 1 1 20 20 VAL N N 20 126.859 126.859 123.931 2.928 25104 3736 1 5 . 1 1 20 20 VAL HA H 20 4.650 4.650 4.173 0.477 25104 3737 1 5 . 1 1 20 20 VAL C C 20 174.836 174.836 173.843 0.993 25104 3738 1 5 . 1 1 20 20 VAL CA C 20 59.966 59.966 61.071 -1.105 25104 3739 1 5 . 1 1 20 20 VAL CB C 20 35.034 35.034 34.891 0.143 25104 3740 1 5 . 1 1 20 20 VAL H H 20 9.400 9.400 8.407 0.993 25104 3741 1 5 . 1 1 21 21 SER N N 21 120.319 120.319 120.351 -0.032 25104 3742 1 5 . 1 1 21 21 SER HA H 21 5.565 5.565 5.353 0.212 25104 3743 1 5 . 1 1 21 21 SER C C 21 174.694 174.694 173.864 0.830 25104 3744 1 5 . 1 1 21 21 SER CA C 21 55.462 55.462 55.536 -0.074 25104 3745 1 5 . 1 1 21 21 SER CB C 21 66.546 66.546 64.541 2.005 25104 3746 1 5 . 1 1 21 21 SER H H 21 8.791 8.791 8.145 0.646 25104 3747 1 5 . 1 1 22 22 PHE N N 22 119.239 119.239 122.966 -3.727 25104 3748 1 5 . 1 1 22 22 PHE HA H 22 5.279 5.279 5.045 0.234 25104 3749 1 5 . 1 1 22 22 PHE C C 22 176.190 176.190 175.992 0.198 25104 3750 1 5 . 1 1 22 22 PHE CA C 22 55.882 55.882 56.591 -0.709 25104 3751 1 5 . 1 1 22 22 PHE CB C 22 42.673 42.673 42.309 0.364 25104 3752 1 5 . 1 1 22 22 PHE H H 22 9.553 9.553 8.573 0.980 25104 3753 1 5 . 1 1 23 23 GLU N N 23 123.308 123.308 121.341 1.967 25104 3754 1 5 . 1 1 23 23 GLU HA H 23 4.797 4.797 4.828 -0.031 25104 3755 1 5 . 1 1 23 23 GLU C C 23 175.673 175.673 175.203 0.470 25104 3756 1 5 . 1 1 23 23 GLU CA C 23 55.119 55.119 55.105 0.014 25104 3757 1 5 . 1 1 23 23 GLU CB C 23 32.058 32.058 32.148 -0.090 25104 3758 1 5 . 1 1 23 23 GLU H H 23 8.791 8.791 8.666 0.125 25104 3759 1 5 . 1 1 24 24 LEU N N 24 122.539 122.539 126.271 -3.732 25104 3760 1 5 . 1 1 24 24 LEU HA H 24 4.749 4.749 4.716 0.033 25104 3761 1 5 . 1 1 24 24 LEU C C 24 178.229 178.229 176.070 2.159 25104 3762 1 5 . 1 1 24 24 LEU CA C 24 51.899 51.899 54.217 -2.318 25104 3763 1 5 . 1 1 24 24 LEU CB C 24 43.248 43.248 42.974 0.274 25104 3764 1 5 . 1 1 24 24 LEU H H 24 8.198 8.198 8.666 -0.469 25104 3765 1 5 . 1 1 25 25 PHE N N 25 124.715 124.715 121.096 3.619 25104 3766 1 5 . 1 1 25 25 PHE HA H 25 5.171 5.171 4.794 0.377 25104 3767 1 5 . 1 1 25 25 PHE C C 25 177.485 177.485 175.823 1.662 25104 3768 1 5 . 1 1 25 25 PHE CA C 25 54.699 54.699 57.044 -2.345 25104 3769 1 5 . 1 1 25 25 PHE CB C 25 36.100 36.100 36.837 -0.737 25104 3770 1 5 . 1 1 25 25 PHE H H 25 8.864 8.864 8.907 -0.043 25104 3771 1 5 . 1 1 26 26 ALA N N 26 128.663 128.663 124.817 3.846 25104 3772 1 5 . 1 1 26 26 ALA HA H 26 3.838 3.838 4.156 -0.318 25104 3773 1 5 . 1 1 26 26 ALA C C 26 177.291 177.291 178.393 -1.102 25104 3774 1 5 . 1 1 26 26 ALA CA C 26 54.316 54.316 54.593 -0.277 25104 3775 1 5 . 1 1 26 26 ALA CB C 26 19.002 19.002 18.759 0.243 25104 3776 1 5 . 1 1 26 26 ALA H H 26 8.480 8.480 7.886 0.594 25104 3777 1 5 . 1 1 27 27 ASP N N 27 114.191 114.191 116.281 -2.090 25104 3778 1 5 . 1 1 27 27 ASP HA H 27 4.197 4.197 4.497 -0.300 25104 3779 1 5 . 1 1 27 27 ASP C C 27 177.976 177.976 177.302 0.674 25104 3780 1 5 . 1 1 27 27 ASP CA C 27 55.410 55.410 56.056 -0.646 25104 3781 1 5 . 1 1 27 27 ASP CB C 27 38.821 38.821 40.364 -1.542 25104 3782 1 5 . 1 1 27 27 ASP H H 27 9.145 9.145 8.628 0.517 25104 3783 1 5 . 1 1 28 28 LYS N N 28 118.107 118.107 118.505 -0.398 25104 3784 1 5 . 1 1 28 28 LYS HA H 28 4.599 4.599 4.418 0.181 25104 3785 1 5 . 1 1 28 28 LYS C C 28 177.840 177.840 177.046 0.794 25104 3786 1 5 . 1 1 28 28 LYS CA C 28 56.262 56.262 57.757 -1.495 25104 3787 1 5 . 1 1 28 28 LYS CB C 28 36.006 36.006 34.679 1.327 25104 3788 1 5 . 1 1 28 28 LYS H H 28 7.569 7.569 7.697 -0.128 25104 3789 1 5 . 1 1 29 29 VAL N N 29 114.551 114.551 113.597 0.954 25104 3790 1 5 . 1 1 29 29 VAL HA H 29 4.487 4.487 4.685 -0.198 25104 3791 1 5 . 1 1 29 29 VAL CA C 29 58.309 58.309 58.777 -0.468 25104 3792 1 5 . 1 1 29 29 VAL CB C 29 32.078 32.078 31.531 0.547 25104 3793 1 5 . 1 1 29 29 VAL H H 29 8.364 8.364 8.011 0.353 25104 3794 1 5 . 1 1 30 30 PRO HA H 30 4.450 4.450 4.415 0.035 25104 3795 1 5 . 1 1 30 30 PRO C C 30 181.892 181.892 178.460 3.432 25104 3796 1 5 . 1 1 30 30 PRO CA C 30 66.227 66.227 65.769 0.458 25104 3797 1 5 . 1 1 30 30 PRO CB C 30 31.547 31.547 31.898 -0.351 25104 3798 1 5 . 1 1 31 31 LYS N N 31 123.785 123.785 117.956 5.829 25104 3799 1 5 . 1 1 31 31 LYS HA H 31 4.105 4.105 4.078 0.027 25104 3800 1 5 . 1 1 31 31 LYS C C 31 182.749 182.749 178.439 4.310 25104 3801 1 5 . 1 1 31 31 LYS CA C 31 61.057 61.057 60.008 1.049 25104 3802 1 5 . 1 1 31 31 LYS CB C 31 32.468 32.468 31.897 0.571 25104 3803 1 5 . 1 1 31 31 LYS H H 31 10.684 10.684 7.953 2.731 25104 3804 1 5 . 1 1 32 32 THR N N 32 124.002 124.002 114.406 9.596 25104 3805 1 5 . 1 1 32 32 THR HA H 32 4.034 4.034 4.371 -0.337 25104 3806 1 5 . 1 1 32 32 THR C C 32 178.673 178.673 176.331 2.342 25104 3807 1 5 . 1 1 32 32 THR CA C 32 67.526 67.526 66.673 0.853 25104 3808 1 5 . 1 1 32 32 THR CB C 32 68.705 68.705 68.541 0.164 25104 3809 1 5 . 1 1 32 32 THR H H 32 10.320 10.320 7.821 2.499 25104 3810 1 5 . 1 1 33 33 ALA N N 33 125.616 125.616 123.718 1.898 25104 3811 1 5 . 1 1 33 33 ALA HA H 33 4.092 4.092 4.362 -0.270 25104 3812 1 5 . 1 1 33 33 ALA C C 33 179.174 179.174 179.352 -0.178 25104 3813 1 5 . 1 1 33 33 ALA CA C 33 55.972 55.972 54.932 1.040 25104 3814 1 5 . 1 1 33 33 ALA CB C 33 18.414 18.414 18.302 0.112 25104 3815 1 5 . 1 1 33 33 ALA H H 33 9.311 9.311 8.105 1.206 25104 3816 1 5 . 1 1 34 34 GLU N N 34 117.376 117.376 119.412 -2.036 25104 3817 1 5 . 1 1 34 34 GLU HA H 34 4.556 4.556 4.022 0.534 25104 3818 1 5 . 1 1 34 34 GLU C C 34 178.418 178.418 178.689 -0.271 25104 3819 1 5 . 1 1 34 34 GLU CA C 34 58.238 58.238 59.112 -0.874 25104 3820 1 5 . 1 1 34 34 GLU CB C 34 28.181 28.181 29.588 -1.407 25104 3821 1 5 . 1 1 34 34 GLU H H 34 8.069 8.069 8.046 0.023 25104 3822 1 5 . 1 1 35 35 ASN N N 35 115.722 115.722 118.371 -2.649 25104 3823 1 5 . 1 1 35 35 ASN HA H 35 4.108 4.108 4.324 -0.216 25104 3824 1 5 . 1 1 35 35 ASN C C 35 175.568 175.568 177.408 -1.840 25104 3825 1 5 . 1 1 35 35 ASN CA C 35 56.768 56.768 56.024 0.744 25104 3826 1 5 . 1 1 35 35 ASN CB C 35 39.644 39.644 38.397 1.247 25104 3827 1 5 . 1 1 35 35 ASN H H 35 7.193 7.193 8.094 -0.901 25104 3828 1 5 . 1 1 36 36 PHE N N 36 117.929 117.929 120.378 -2.449 25104 3829 1 5 . 1 1 36 36 PHE HA H 36 4.158 4.158 4.033 0.125 25104 3830 1 5 . 1 1 36 36 PHE C C 36 179.707 179.707 177.364 2.343 25104 3831 1 5 . 1 1 36 36 PHE CA C 36 61.589 61.589 60.913 0.676 25104 3832 1 5 . 1 1 36 36 PHE CB C 36 39.948 39.948 38.882 1.066 25104 3833 1 5 . 1 1 36 36 PHE H H 36 7.065 7.065 7.619 -0.554 25104 3834 1 5 . 1 1 37 37 ARG N N 37 121.048 121.048 120.645 0.403 25104 3835 1 5 . 1 1 37 37 ARG HA H 37 3.685 3.685 4.122 -0.437 25104 3836 1 5 . 1 1 37 37 ARG C C 37 179.000 179.000 178.104 0.896 25104 3837 1 5 . 1 1 37 37 ARG CA C 37 60.515 60.515 59.431 1.084 25104 3838 1 5 . 1 1 37 37 ARG CB C 37 29.880 29.880 30.247 -0.367 25104 3839 1 5 . 1 1 37 37 ARG H H 37 8.975 8.975 8.086 0.889 25104 3840 1 5 . 1 1 38 38 ALA N N 38 119.232 119.232 121.974 -2.742 25104 3841 1 5 . 1 1 38 38 ALA HA H 38 4.126 4.126 4.410 -0.284 25104 3842 1 5 . 1 1 38 38 ALA C C 38 183.365 183.365 180.160 3.205 25104 3843 1 5 . 1 1 38 38 ALA CA C 38 54.477 54.477 54.409 0.068 25104 3844 1 5 . 1 1 38 38 ALA CB C 38 18.405 18.405 18.520 -0.115 25104 3845 1 5 . 1 1 38 38 ALA H H 38 8.741 8.741 7.793 0.948 25104 3846 1 5 . 1 1 39 39 LEU N N 39 120.723 120.723 119.078 1.645 25104 3847 1 5 . 1 1 39 39 LEU HA H 39 3.800 3.800 4.242 -0.442 25104 3848 1 5 . 1 1 39 39 LEU C C 39 180.481 180.481 178.891 1.590 25104 3849 1 5 . 1 1 39 39 LEU CA C 39 57.268 57.268 57.891 -0.623 25104 3850 1 5 . 1 1 39 39 LEU CB C 39 41.218 41.218 41.574 -0.356 25104 3851 1 5 . 1 1 39 39 LEU H H 39 8.212 8.212 8.156 0.056 25104 3852 1 5 . 1 1 40 40 SER N N 40 119.210 119.210 114.491 4.719 25104 3853 1 5 . 1 1 40 40 SER HA H 40 4.341 4.341 4.427 -0.086 25104 3854 1 5 . 1 1 40 40 SER C C 40 175.380 175.380 176.786 -1.406 25104 3855 1 5 . 1 1 40 40 SER CA C 40 62.924 62.924 61.185 1.739 25104 3856 1 5 . 1 1 40 40 SER CB C 40 62.992 62.992 63.062 -0.070 25104 3857 1 5 . 1 1 40 40 SER H H 40 7.938 7.938 7.857 0.081 25104 3858 1 5 . 1 1 41 41 THR N N 41 108.556 108.556 112.379 -3.823 25104 3859 1 5 . 1 1 41 41 THR HA H 41 4.508 4.508 4.257 0.251 25104 3860 1 5 . 1 1 41 41 THR C C 41 179.088 179.088 176.225 2.863 25104 3861 1 5 . 1 1 41 41 THR CA C 41 62.492 62.492 63.551 -1.059 25104 3862 1 5 . 1 1 41 41 THR CB C 41 69.663 69.663 69.706 -0.042 25104 3863 1 5 . 1 1 41 41 THR H H 41 8.017 8.017 8.014 0.003 25104 3864 1 5 . 1 1 42 42 GLY N N 42 108.433 108.433 110.655 -2.222 25104 3865 1 5 . 1 1 42 42 GLY C C 42 178.676 178.676 175.800 2.876 25104 3866 1 5 . 1 1 42 42 GLY CA C 42 45.840 45.840 45.398 0.443 25104 3867 1 5 . 1 1 42 42 GLY H H 42 7.621 7.621 7.950 -0.329 25104 3868 1 5 . 1 1 43 43 GLU N N 43 118.777 118.777 120.940 -2.163 25104 3869 1 5 . 1 1 43 43 GLU HA H 43 4.171 4.171 4.116 0.055 25104 3870 1 5 . 1 1 43 43 GLU C C 43 177.458 177.458 177.672 -0.214 25104 3871 1 5 . 1 1 43 43 GLU CA C 43 58.580 58.580 58.133 0.447 25104 3872 1 5 . 1 1 43 43 GLU H H 43 8.049 8.049 7.906 0.143 25104 3873 1 5 . 1 1 44 44 LYS N N 44 118.526 118.526 116.389 2.137 25104 3874 1 5 . 1 1 44 44 LYS HA H 44 4.342 4.342 4.315 0.027 25104 3875 1 5 . 1 1 44 44 LYS C C 44 177.590 177.590 176.570 1.020 25104 3876 1 5 . 1 1 44 44 LYS CA C 44 54.405 54.405 54.475 -0.070 25104 3877 1 5 . 1 1 44 44 LYS CB C 44 30.488 30.488 31.896 -1.408 25104 3878 1 5 . 1 1 44 44 LYS H H 44 9.123 9.123 7.501 1.622 25104 3879 1 5 . 1 1 45 45 GLY N N 45 105.553 105.553 107.601 -2.048 25104 3880 1 5 . 1 1 45 45 GLY C C 45 173.518 173.518 174.795 -1.277 25104 3881 1 5 . 1 1 45 45 GLY CA C 45 44.612 44.612 45.862 -1.250 25104 3882 1 5 . 1 1 45 45 GLY H H 45 7.970 7.970 7.649 0.321 25104 3883 1 5 . 1 1 46 46 PHE N N 46 113.753 113.753 119.968 -6.215 25104 3884 1 5 . 1 1 46 46 PHE HA H 46 4.678 4.678 4.323 0.355 25104 3885 1 5 . 1 1 46 46 PHE C C 46 173.684 173.684 176.626 -2.942 25104 3886 1 5 . 1 1 46 46 PHE CA C 46 54.077 54.077 57.410 -3.333 25104 3887 1 5 . 1 1 46 46 PHE CB C 46 39.658 39.658 39.303 0.355 25104 3888 1 5 . 1 1 46 46 PHE H H 46 6.469 6.469 7.350 -0.881 25104 3889 1 5 . 1 1 47 47 GLY N N 47 104.722 104.722 106.900 -2.178 25104 3890 1 5 . 1 1 47 47 GLY C C 47 172.446 172.446 174.965 -2.519 25104 3891 1 5 . 1 1 47 47 GLY CA C 47 45.601 45.601 45.578 0.023 25104 3892 1 5 . 1 1 47 47 GLY H H 47 7.756 7.756 8.222 -0.466 25104 3893 1 5 . 1 1 48 48 TYR N N 48 113.796 113.796 120.502 -6.706 25104 3894 1 5 . 1 1 48 48 TYR HA H 48 4.270 4.270 4.285 -0.015 25104 3895 1 5 . 1 1 48 48 TYR C C 48 178.924 178.924 176.046 2.878 25104 3896 1 5 . 1 1 48 48 TYR CA C 48 57.365 57.365 58.910 -1.545 25104 3897 1 5 . 1 1 48 48 TYR CB C 48 38.832 38.832 37.445 1.387 25104 3898 1 5 . 1 1 48 48 TYR H H 48 6.948 6.948 8.162 -1.214 25104 3899 1 5 . 1 1 49 49 LYS N N 49 124.858 124.858 124.606 0.252 25104 3900 1 5 . 1 1 49 49 LYS HA H 49 3.655 3.655 4.480 -0.825 25104 3901 1 5 . 1 1 49 49 LYS C C 49 178.388 178.388 176.651 1.737 25104 3902 1 5 . 1 1 49 49 LYS CA C 49 61.018 61.018 54.535 6.483 25104 3903 1 5 . 1 1 49 49 LYS CB C 49 31.484 31.484 34.233 -2.749 25104 3904 1 5 . 1 1 49 49 LYS H H 49 8.493 8.493 7.901 0.592 25104 3905 1 5 . 1 1 50 50 GLY N N 50 117.833 117.833 115.796 2.037 25104 3906 1 5 . 1 1 50 50 GLY C C 50 175.259 175.259 173.945 1.314 25104 3907 1 5 . 1 1 50 50 GLY CA C 50 45.495 45.495 45.854 -0.359 25104 3908 1 5 . 1 1 50 50 GLY H H 50 9.509 9.509 8.716 0.793 25104 3909 1 5 . 1 1 51 51 SER N N 51 116.413 116.413 114.203 2.210 25104 3910 1 5 . 1 1 51 51 SER HA H 51 4.516 4.516 4.425 0.091 25104 3911 1 5 . 1 1 51 51 SER C C 51 172.808 172.808 174.957 -2.149 25104 3912 1 5 . 1 1 51 51 SER CA C 51 59.043 59.043 57.875 1.168 25104 3913 1 5 . 1 1 51 51 SER CB C 51 63.781 63.781 64.074 -0.293 25104 3914 1 5 . 1 1 51 51 SER H H 51 8.436 8.436 7.759 0.677 25104 3915 1 5 . 1 1 52 52 CYS N N 52 115.156 115.156 126.196 -11.040 25104 3916 1 5 . 1 1 52 52 CYS HA H 52 5.932 5.932 5.237 0.695 25104 3917 1 5 . 1 1 52 52 CYS C C 52 177.437 177.437 174.098 3.339 25104 3918 1 5 . 1 1 52 52 CYS CA C 52 55.998 55.998 58.624 -2.626 25104 3919 1 5 . 1 1 52 52 CYS CB C 52 31.953 31.953 29.613 2.340 25104 3920 1 5 . 1 1 52 52 CYS H H 52 9.875 9.875 8.616 1.259 25104 3921 1 5 . 1 1 53 53 PHE N N 53 123.068 123.068 121.364 1.704 25104 3922 1 5 . 1 1 53 53 PHE HA H 53 4.899 4.899 4.745 0.154 25104 3923 1 5 . 1 1 53 53 PHE C C 53 175.886 175.886 175.343 0.543 25104 3924 1 5 . 1 1 53 53 PHE CA C 53 58.389 58.389 57.447 0.942 25104 3925 1 5 . 1 1 53 53 PHE CB C 53 39.535 39.535 40.541 -1.006 25104 3926 1 5 . 1 1 53 53 PHE H H 53 8.732 8.732 8.857 -0.125 25104 3927 1 5 . 1 1 54 54 HIS N N 54 120.227 120.227 119.961 0.266 25104 3928 1 5 . 1 1 54 54 HIS HA H 54 4.763 4.763 4.883 -0.120 25104 3929 1 5 . 1 1 54 54 HIS C C 54 176.409 176.409 174.832 1.577 25104 3930 1 5 . 1 1 54 54 HIS CA C 54 57.323 57.323 55.691 1.632 25104 3931 1 5 . 1 1 54 54 HIS CB C 54 31.542 31.542 32.113 -0.571 25104 3932 1 5 . 1 1 54 54 HIS H H 54 7.696 7.696 8.157 -0.461 25104 3933 1 5 . 1 1 55 55 ARG N N 55 123.202 123.202 122.014 1.188 25104 3934 1 5 . 1 1 55 55 ARG HA H 55 5.118 5.118 4.992 0.126 25104 3935 1 5 . 1 1 55 55 ARG C C 55 174.511 174.511 173.870 0.641 25104 3936 1 5 . 1 1 55 55 ARG CA C 55 54.913 54.913 54.891 0.022 25104 3937 1 5 . 1 1 55 55 ARG CB C 55 33.805 33.805 31.090 2.716 25104 3938 1 5 . 1 1 55 55 ARG H H 55 7.089 7.089 7.100 -0.011 25104 3939 1 5 . 1 1 56 56 ILE N N 56 126.621 126.621 126.742 -0.121 25104 3940 1 5 . 1 1 56 56 ILE HA H 56 4.659 4.659 4.797 -0.138 25104 3941 1 5 . 1 1 56 56 ILE C C 56 174.633 174.633 174.095 0.538 25104 3942 1 5 . 1 1 56 56 ILE CA C 56 61.585 61.585 60.470 1.115 25104 3943 1 5 . 1 1 56 56 ILE CB C 56 41.452 41.452 41.792 -0.340 25104 3944 1 5 . 1 1 56 56 ILE H H 56 9.201 9.201 8.348 0.853 25104 3945 1 5 . 1 1 57 57 ILE N N 57 127.965 127.965 125.590 2.375 25104 3946 1 5 . 1 1 57 57 ILE HA H 57 5.248 5.248 5.163 0.085 25104 3947 1 5 . 1 1 57 57 ILE CA C 57 57.685 57.685 57.617 0.069 25104 3948 1 5 . 1 1 57 57 ILE CB C 57 40.236 40.236 41.721 -1.485 25104 3949 1 5 . 1 1 57 57 ILE H H 57 8.753 8.753 9.004 -0.251 25104 3950 1 5 . 1 1 58 58 PRO HA H 58 4.382 4.382 4.515 -0.133 25104 3951 1 5 . 1 1 58 58 PRO C C 58 178.669 178.669 177.648 1.021 25104 3952 1 5 . 1 1 58 58 PRO CA C 58 63.086 63.086 63.405 -0.319 25104 3953 1 5 . 1 1 58 58 PRO CB C 58 31.996 31.996 32.063 -0.067 25104 3954 1 5 . 1 1 59 59 GLY N N 59 114.176 114.176 111.719 2.457 25104 3955 1 5 . 1 1 59 59 GLY C C 59 173.281 173.281 173.411 -0.130 25104 3956 1 5 . 1 1 59 59 GLY CA C 59 45.259 45.259 45.822 -0.563 25104 3957 1 5 . 1 1 59 59 GLY H H 59 9.752 9.752 8.539 1.213 25104 3958 1 5 . 1 1 60 60 PHE N N 60 119.241 119.241 118.745 0.496 25104 3959 1 5 . 1 1 60 60 PHE HA H 60 5.153 5.153 5.116 0.037 25104 3960 1 5 . 1 1 60 60 PHE C C 60 174.401 174.401 173.286 1.115 25104 3961 1 5 . 1 1 60 60 PHE CA C 60 56.867 56.867 58.208 -1.341 25104 3962 1 5 . 1 1 60 60 PHE CB C 60 39.954 39.954 40.880 -0.926 25104 3963 1 5 . 1 1 60 60 PHE H H 60 8.196 8.196 8.184 0.012 25104 3964 1 5 . 1 1 61 61 MET N N 61 111.262 111.262 117.010 -5.748 25104 3965 1 5 . 1 1 61 61 MET HA H 61 5.369 5.369 4.869 0.500 25104 3966 1 5 . 1 1 61 61 MET C C 61 175.163 175.163 172.977 2.186 25104 3967 1 5 . 1 1 61 61 MET CA C 61 55.062 55.062 55.226 -0.164 25104 3968 1 5 . 1 1 61 61 MET CB C 61 35.010 35.010 36.297 -1.287 25104 3969 1 5 . 1 1 61 61 MET H H 61 8.128 8.128 8.300 -0.172 25104 3970 1 5 . 1 1 62 62 CYS N N 62 114.848 114.848 121.701 -6.853 25104 3971 1 5 . 1 1 62 62 CYS HA H 62 4.941 4.941 5.119 -0.178 25104 3972 1 5 . 1 1 62 62 CYS C C 62 174.075 174.075 173.225 0.850 25104 3973 1 5 . 1 1 62 62 CYS CA C 62 57.485 57.485 56.236 1.249 25104 3974 1 5 . 1 1 62 62 CYS CB C 62 30.392 30.392 29.842 0.550 25104 3975 1 5 . 1 1 62 62 CYS H H 62 8.501 8.501 8.714 -0.213 25104 3976 1 5 . 1 1 63 63 GLN N N 63 126.854 126.854 124.231 2.623 25104 3977 1 5 . 1 1 63 63 GLN HA H 63 5.410 5.410 5.418 -0.008 25104 3978 1 5 . 1 1 63 63 GLN C C 63 175.024 175.024 174.215 0.809 25104 3979 1 5 . 1 1 63 63 GLN CA C 63 54.691 54.691 53.897 0.794 25104 3980 1 5 . 1 1 63 63 GLN CB C 63 30.529 30.529 32.706 -2.177 25104 3981 1 5 . 1 1 63 63 GLN H H 63 9.671 9.671 8.756 0.915 25104 3982 1 5 . 1 1 64 64 GLY N N 64 110.745 110.745 108.201 2.544 25104 3983 1 5 . 1 1 64 64 GLY C C 64 174.113 174.113 172.379 1.734 25104 3984 1 5 . 1 1 64 64 GLY CA C 64 44.788 44.788 44.642 0.146 25104 3985 1 5 . 1 1 64 64 GLY H H 64 7.401 7.401 8.299 -0.898 25104 3986 1 5 . 1 1 65 65 GLY N N 65 105.815 105.815 106.802 -0.987 25104 3987 1 5 . 1 1 65 65 GLY C C 65 176.175 176.175 175.140 1.035 25104 3988 1 5 . 1 1 65 65 GLY CA C 65 46.659 46.659 45.521 1.138 25104 3989 1 5 . 1 1 65 65 GLY H H 65 9.265 9.265 7.447 1.818 25104 3990 1 5 . 1 1 66 66 ASP N N 66 123.911 123.911 122.155 1.756 25104 3991 1 5 . 1 1 66 66 ASP HA H 66 4.337 4.337 4.464 -0.127 25104 3992 1 5 . 1 1 66 66 ASP C C 66 177.105 177.105 177.839 -0.734 25104 3993 1 5 . 1 1 66 66 ASP CA C 66 51.592 51.592 57.496 -5.904 25104 3994 1 5 . 1 1 66 66 ASP CB C 66 38.926 38.926 41.124 -2.198 25104 3995 1 5 . 1 1 66 66 ASP H H 66 9.950 9.950 8.205 1.745 25104 3996 1 5 . 1 1 67 67 PHE N N 67 116.285 116.285 119.131 -2.846 25104 3997 1 5 . 1 1 67 67 PHE HA H 67 4.655 4.655 4.253 0.402 25104 3998 1 5 . 1 1 67 67 PHE C C 67 175.240 175.240 175.925 -0.685 25104 3999 1 5 . 1 1 67 67 PHE CA C 67 55.683 55.683 60.555 -4.872 25104 4000 1 5 . 1 1 67 67 PHE CB C 67 39.480 39.480 39.473 0.007 25104 4001 1 5 . 1 1 67 67 PHE H H 67 6.660 6.660 7.908 -1.248 25104 4002 1 5 . 1 1 68 68 THR N N 68 109.280 109.280 116.606 -7.326 25104 4003 1 5 . 1 1 68 68 THR HA H 68 4.692 4.692 4.271 0.421 25104 4004 1 5 . 1 1 68 68 THR C C 68 176.514 176.514 173.512 3.002 25104 4005 1 5 . 1 1 68 68 THR CA C 68 61.962 61.962 62.331 -0.369 25104 4006 1 5 . 1 1 68 68 THR CB C 68 68.922 68.922 68.713 0.209 25104 4007 1 5 . 1 1 68 68 THR H H 68 7.400 7.400 7.643 -0.243 25104 4008 1 5 . 1 1 69 69 ARG N N 69 122.125 122.125 122.501 -0.376 25104 4009 1 5 . 1 1 69 69 ARG HA H 69 4.421 4.421 3.873 0.548 25104 4010 1 5 . 1 1 69 69 ARG CA C 69 55.265 55.265 56.691 -1.426 25104 4011 1 5 . 1 1 69 69 ARG CB C 69 31.727 31.727 27.731 3.996 25104 4012 1 5 . 1 1 69 69 ARG H H 69 8.719 8.719 9.014 -0.295 25104 4013 1 5 . 1 1 70 70 HIS N N 70 111.574 111.574 117.065 -5.491 25104 4014 1 5 . 1 1 70 70 HIS HA H 70 4.451 4.451 4.265 0.186 25104 4015 1 5 . 1 1 70 70 HIS C C 70 175.306 175.306 175.600 -0.294 25104 4016 1 5 . 1 1 70 70 HIS CA C 70 57.193 57.193 56.681 0.512 25104 4017 1 5 . 1 1 70 70 HIS CB C 70 28.587 28.587 29.471 -0.884 25104 4018 1 5 . 1 1 70 70 HIS H H 70 6.865 6.865 8.735 -1.870 25104 4019 1 5 . 1 1 71 71 ASN N N 71 112.710 112.710 117.828 -5.118 25104 4020 1 5 . 1 1 71 71 ASN HA H 71 4.673 4.673 4.299 0.374 25104 4021 1 5 . 1 1 71 71 ASN C C 71 176.752 176.752 175.580 1.172 25104 4022 1 5 . 1 1 71 71 ASN CA C 71 52.366 52.366 52.580 -0.214 25104 4023 1 5 . 1 1 71 71 ASN CB C 71 39.036 39.036 36.937 2.099 25104 4024 1 5 . 1 1 71 71 ASN H H 71 7.594 7.594 7.957 -0.363 25104 4025 1 5 . 1 1 72 72 GLY N N 72 110.452 110.452 112.539 -2.087 25104 4026 1 5 . 1 1 72 72 GLY C C 72 176.669 176.669 174.545 2.124 25104 4027 1 5 . 1 1 72 72 GLY CA C 72 44.887 44.887 46.705 -1.817 25104 4028 1 5 . 1 1 72 72 GLY H H 72 9.642 9.642 8.571 1.071 25104 4029 1 5 . 1 1 73 73 THR N N 73 112.024 112.024 115.941 -3.917 25104 4030 1 5 . 1 1 73 73 THR HA H 73 4.541 4.541 4.417 0.124 25104 4031 1 5 . 1 1 73 73 THR C C 73 176.905 176.905 174.848 2.057 25104 4032 1 5 . 1 1 73 73 THR CA C 73 62.235 62.235 62.217 0.018 25104 4033 1 5 . 1 1 73 73 THR CB C 73 70.677 70.677 70.379 0.298 25104 4034 1 5 . 1 1 73 73 THR H H 73 7.967 7.967 7.505 0.462 25104 4035 1 5 . 1 1 74 74 GLY N N 74 113.872 113.872 111.131 2.741 25104 4036 1 5 . 1 1 74 74 GLY C C 74 176.149 176.149 174.470 1.679 25104 4037 1 5 . 1 1 74 74 GLY CA C 74 45.126 45.126 45.964 -0.838 25104 4038 1 5 . 1 1 74 74 GLY H H 74 8.711 8.711 8.267 0.444 25104 4039 1 5 . 1 1 75 75 GLY N N 75 109.032 109.032 105.481 3.551 25104 4040 1 5 . 1 1 75 75 GLY C C 75 173.012 173.012 174.151 -1.139 25104 4041 1 5 . 1 1 75 75 GLY CA C 75 43.371 43.371 44.588 -1.217 25104 4042 1 5 . 1 1 75 75 GLY H H 75 8.117 8.117 7.661 0.456 25104 4043 1 5 . 1 1 76 76 LYS N N 76 115.705 115.705 119.174 -3.469 25104 4044 1 5 . 1 1 76 76 LYS HA H 76 4.623 4.623 4.890 -0.267 25104 4045 1 5 . 1 1 76 76 LYS C C 76 173.512 173.512 176.421 -2.909 25104 4046 1 5 . 1 1 76 76 LYS CA C 76 55.975 55.975 55.881 0.094 25104 4047 1 5 . 1 1 76 76 LYS CB C 76 34.648 34.648 33.403 1.245 25104 4048 1 5 . 1 1 76 76 LYS H H 76 7.034 7.034 7.933 -0.899 25104 4049 1 5 . 1 1 77 77 SER N N 77 114.354 114.354 114.802 -0.448 25104 4050 1 5 . 1 1 77 77 SER HA H 77 5.240 5.240 4.770 0.470 25104 4051 1 5 . 1 1 77 77 SER C C 77 176.746 176.746 176.300 0.446 25104 4052 1 5 . 1 1 77 77 SER CA C 77 57.077 57.077 57.349 -0.272 25104 4053 1 5 . 1 1 77 77 SER CB C 77 69.863 69.863 65.520 4.343 25104 4054 1 5 . 1 1 77 77 SER H H 77 7.793 7.793 8.087 -0.294 25104 4055 1 5 . 1 1 78 78 ILE N N 78 111.394 111.394 115.500 -4.106 25104 4056 1 5 . 1 1 78 78 ILE HA H 78 4.208 4.208 4.436 -0.228 25104 4057 1 5 . 1 1 78 78 ILE C C 78 176.973 176.973 175.816 1.157 25104 4058 1 5 . 1 1 78 78 ILE CA C 78 63.675 63.675 62.862 0.813 25104 4059 1 5 . 1 1 78 78 ILE CB C 78 37.434 37.434 38.126 -0.692 25104 4060 1 5 . 1 1 78 78 ILE H H 78 8.584 8.584 8.590 -0.006 25104 4061 1 5 . 1 1 79 79 TYR N N 79 120.757 120.757 118.709 2.048 25104 4062 1 5 . 1 1 79 79 TYR HA H 79 4.718 4.718 4.416 0.302 25104 4063 1 5 . 1 1 79 79 TYR C C 79 176.316 176.316 175.915 0.401 25104 4064 1 5 . 1 1 79 79 TYR CA C 79 56.216 56.216 57.673 -1.457 25104 4065 1 5 . 1 1 79 79 TYR CB C 79 38.891 38.891 37.317 1.574 25104 4066 1 5 . 1 1 79 79 TYR H H 79 8.058 8.058 7.692 0.366 25104 4067 1 5 . 1 1 80 80 GLY N N 80 106.521 106.521 106.710 -0.189 25104 4068 1 5 . 1 1 80 80 GLY CA C 80 46.021 46.021 44.636 1.385 25104 4069 1 5 . 1 1 80 80 GLY H H 80 7.152 7.152 7.140 0.012 25104 4070 1 5 . 1 1 81 81 GLU N N 81 122.638 122.638 123.079 -0.441 25104 4071 1 5 . 1 1 81 81 GLU HA H 81 4.008 4.008 4.032 -0.024 25104 4072 1 5 . 1 1 81 81 GLU C C 81 176.729 176.729 175.790 0.939 25104 4073 1 5 . 1 1 81 81 GLU CA C 81 60.602 60.602 59.170 1.432 25104 4074 1 5 . 1 1 81 81 GLU CB C 81 29.927 29.927 29.858 0.069 25104 4075 1 5 . 1 1 81 81 GLU H H 81 8.884 8.884 8.682 0.202 25104 4076 1 5 . 1 1 82 82 LYS N N 82 112.369 112.369 113.697 -1.328 25104 4077 1 5 . 1 1 82 82 LYS HA H 82 5.577 5.577 4.532 1.045 25104 4078 1 5 . 1 1 82 82 LYS C C 82 176.495 176.495 175.054 1.441 25104 4079 1 5 . 1 1 82 82 LYS CA C 82 53.906 53.906 55.650 -1.744 25104 4080 1 5 . 1 1 82 82 LYS CB C 82 36.614 36.614 35.090 1.524 25104 4081 1 5 . 1 1 82 82 LYS H H 82 7.845 7.845 7.716 0.129 25104 4082 1 5 . 1 1 83 83 PHE N N 83 116.638 116.638 116.943 -0.305 25104 4083 1 5 . 1 1 83 83 PHE HA H 83 5.000 5.000 5.026 -0.026 25104 4084 1 5 . 1 1 83 83 PHE C C 83 174.501 174.501 173.389 1.112 25104 4085 1 5 . 1 1 83 83 PHE CA C 83 56.032 56.032 55.788 0.245 25104 4086 1 5 . 1 1 83 83 PHE CB C 83 41.258 41.258 41.573 -0.315 25104 4087 1 5 . 1 1 83 83 PHE H H 83 9.184 9.184 8.911 0.273 25104 4088 1 5 . 1 1 84 84 GLU N N 84 119.642 119.642 117.794 1.848 25104 4089 1 5 . 1 1 84 84 GLU HA H 84 3.862 3.862 4.114 -0.252 25104 4090 1 5 . 1 1 84 84 GLU C C 84 177.248 177.248 175.397 1.851 25104 4091 1 5 . 1 1 84 84 GLU CA C 84 56.452 56.452 55.823 0.629 25104 4092 1 5 . 1 1 84 84 GLU CB C 84 29.329 29.329 30.183 -0.854 25104 4093 1 5 . 1 1 84 84 GLU H H 84 9.294 9.294 8.479 0.815 25104 4094 1 5 . 1 1 85 85 ASP N N 85 118.870 118.870 120.641 -1.771 25104 4095 1 5 . 1 1 85 85 ASP HA H 85 4.285 4.285 4.524 -0.239 25104 4096 1 5 . 1 1 85 85 ASP C C 85 177.100 177.100 176.086 1.014 25104 4097 1 5 . 1 1 85 85 ASP CA C 85 54.486 54.486 54.203 0.283 25104 4098 1 5 . 1 1 85 85 ASP CB C 85 40.954 40.954 40.642 0.312 25104 4099 1 5 . 1 1 85 85 ASP H H 85 8.609 8.609 8.460 0.149 25104 4100 1 5 . 1 1 86 86 GLU N N 86 131.636 131.636 126.178 5.458 25104 4101 1 5 . 1 1 86 86 GLU HA H 86 3.851 3.851 3.929 -0.078 25104 4102 1 5 . 1 1 86 86 GLU C C 86 177.266 177.266 175.603 1.663 25104 4103 1 5 . 1 1 86 86 GLU CA C 86 60.354 60.354 59.268 1.086 25104 4104 1 5 . 1 1 86 86 GLU CB C 86 31.877 31.877 30.212 1.665 25104 4105 1 5 . 1 1 86 86 GLU H H 86 9.474 9.474 8.867 0.607 25104 4106 1 5 . 1 1 87 87 ASN N N 87 106.916 106.916 111.102 -4.186 25104 4107 1 5 . 1 1 87 87 ASN HA H 87 4.187 4.187 4.488 -0.301 25104 4108 1 5 . 1 1 87 87 ASN C C 87 171.751 171.751 173.053 -1.302 25104 4109 1 5 . 1 1 87 87 ASN CA C 87 52.828 52.828 52.255 0.572 25104 4110 1 5 . 1 1 87 87 ASN CB C 87 39.490 39.490 39.305 0.185 25104 4111 1 5 . 1 1 87 87 ASN H H 87 7.084 7.084 7.610 -0.526 25104 4112 1 5 . 1 1 88 88 PHE N N 88 113.116 113.116 114.792 -1.676 25104 4113 1 5 . 1 1 88 88 PHE HA H 88 5.964 5.964 4.889 1.075 25104 4114 1 5 . 1 1 88 88 PHE C C 88 178.688 178.688 175.474 3.214 25104 4115 1 5 . 1 1 88 88 PHE CA C 88 55.847 55.847 56.704 -0.857 25104 4116 1 5 . 1 1 88 88 PHE CB C 88 38.876 38.876 39.495 -0.619 25104 4117 1 5 . 1 1 88 88 PHE H H 88 8.356 8.356 8.422 -0.066 25104 4118 1 5 . 1 1 89 89 ILE N N 89 119.794 119.794 120.439 -0.645 25104 4119 1 5 . 1 1 89 89 ILE HA H 89 3.726 3.726 3.848 -0.122 25104 4120 1 5 . 1 1 89 89 ILE C C 89 178.596 178.596 176.049 2.547 25104 4121 1 5 . 1 1 89 89 ILE CA C 89 64.996 64.996 64.759 0.237 25104 4122 1 5 . 1 1 89 89 ILE CB C 89 39.000 39.000 38.255 0.745 25104 4123 1 5 . 1 1 89 89 ILE H H 89 8.314 8.314 7.756 0.558 25104 4124 1 5 . 1 1 90 90 LEU N N 90 117.361 117.361 120.260 -2.899 25104 4125 1 5 . 1 1 90 90 LEU HA H 90 4.516 4.516 4.327 0.189 25104 4126 1 5 . 1 1 90 90 LEU C C 90 177.345 177.345 175.849 1.496 25104 4127 1 5 . 1 1 90 90 LEU CA C 90 54.196 54.196 53.466 0.730 25104 4128 1 5 . 1 1 90 90 LEU CB C 90 42.100 42.100 41.055 1.045 25104 4129 1 5 . 1 1 90 90 LEU H H 90 7.777 7.777 7.954 -0.177 25104 4130 1 5 . 1 1 91 91 LYS N N 91 119.096 119.096 123.442 -4.346 25104 4131 1 5 . 1 1 91 91 LYS HA H 91 4.635 4.635 4.360 0.275 25104 4132 1 5 . 1 1 91 91 LYS C C 91 177.296 177.296 176.845 0.451 25104 4133 1 5 . 1 1 91 91 LYS CA C 91 54.689 54.689 56.539 -1.850 25104 4134 1 5 . 1 1 91 91 LYS CB C 91 34.841 34.841 33.074 1.767 25104 4135 1 5 . 1 1 91 91 LYS H H 91 8.086 8.086 8.412 -0.326 25104 4136 1 5 . 1 1 92 92 HIS N N 92 122.578 122.578 123.142 -0.564 25104 4137 1 5 . 1 1 92 92 HIS HA H 92 4.408 4.408 4.615 -0.207 25104 4138 1 5 . 1 1 92 92 HIS C C 92 178.794 178.794 174.379 4.415 25104 4139 1 5 . 1 1 92 92 HIS CA C 92 56.886 56.886 55.609 1.277 25104 4140 1 5 . 1 1 92 92 HIS CB C 92 26.041 26.041 28.947 -2.906 25104 4141 1 5 . 1 1 92 92 HIS H H 92 10.736 10.736 8.922 1.814 25104 4142 1 5 . 1 1 93 93 THR N N 93 110.479 110.479 113.915 -3.436 25104 4143 1 5 . 1 1 93 93 THR HA H 93 4.056 4.056 4.380 -0.324 25104 4144 1 5 . 1 1 93 93 THR C C 93 176.456 176.456 173.299 3.157 25104 4145 1 5 . 1 1 93 93 THR CA C 93 63.324 63.324 61.542 1.782 25104 4146 1 5 . 1 1 93 93 THR CB C 93 69.416 69.416 68.700 0.716 25104 4147 1 5 . 1 1 93 93 THR H H 93 7.315 7.315 7.395 -0.080 25104 4148 1 5 . 1 1 94 94 GLY N N 94 107.272 107.272 108.788 -1.516 25104 4149 1 5 . 1 1 94 94 GLY C C 94 178.117 178.117 172.045 6.072 25104 4150 1 5 . 1 1 94 94 GLY H H 94 7.530 7.530 7.534 -0.004 25104 4151 1 5 . 1 1 95 95 PRO HA H 95 3.856 3.856 4.306 -0.450 25104 4152 1 5 . 1 1 95 95 PRO CA C 95 62.687 62.687 62.205 0.482 25104 4153 1 5 . 1 1 95 95 PRO CB C 95 32.137 32.137 32.712 -0.575 25104 4154 1 5 . 1 1 96 96 GLY N N 96 110.210 110.210 110.045 0.165 25104 4155 1 5 . 1 1 96 96 GLY C C 96 174.025 174.025 174.558 -0.533 25104 4156 1 5 . 1 1 96 96 GLY CA C 96 45.068 45.068 45.715 -0.647 25104 4157 1 5 . 1 1 96 96 GLY H H 96 9.305 9.305 8.270 1.035 25104 4158 1 5 . 1 1 97 97 ILE N N 97 121.517 121.517 121.313 0.204 25104 4159 1 5 . 1 1 97 97 ILE HA H 97 4.173 4.173 3.958 0.215 25104 4160 1 5 . 1 1 97 97 ILE C C 97 174.196 174.196 174.972 -0.776 25104 4161 1 5 . 1 1 97 97 ILE CA C 97 59.398 59.398 59.965 -0.567 25104 4162 1 5 . 1 1 97 97 ILE CB C 97 37.922 37.922 36.461 1.461 25104 4163 1 5 . 1 1 97 97 ILE H H 97 6.826 6.826 7.436 -0.610 25104 4164 1 5 . 1 1 98 98 LEU N N 98 128.948 128.948 130.341 -1.393 25104 4165 1 5 . 1 1 98 98 LEU HA H 98 5.010 5.010 4.775 0.235 25104 4166 1 5 . 1 1 98 98 LEU C C 98 175.316 175.316 175.663 -0.347 25104 4167 1 5 . 1 1 98 98 LEU CA C 98 53.350 53.350 53.989 -0.639 25104 4168 1 5 . 1 1 98 98 LEU CB C 98 43.813 43.813 41.905 1.908 25104 4169 1 5 . 1 1 98 98 LEU H H 98 7.907 7.907 8.180 -0.273 25104 4170 1 5 . 1 1 99 99 SER N N 99 118.834 118.834 117.400 1.434 25104 4171 1 5 . 1 1 99 99 SER HA H 99 5.346 5.346 4.734 0.612 25104 4172 1 5 . 1 1 99 99 SER C C 99 175.732 175.732 173.059 2.673 25104 4173 1 5 . 1 1 99 99 SER CA C 99 55.011 55.011 56.799 -1.788 25104 4174 1 5 . 1 1 99 99 SER CB C 99 65.370 65.370 66.440 -1.070 25104 4175 1 5 . 1 1 99 99 SER H H 99 8.307 8.307 8.154 0.153 25104 4176 1 5 . 1 1 100 100 MET N N 100 123.079 123.079 122.807 0.272 25104 4177 1 5 . 1 1 100 100 MET HA H 100 5.338 5.338 4.628 0.710 25104 4178 1 5 . 1 1 100 100 MET C C 100 178.920 178.920 176.301 2.619 25104 4179 1 5 . 1 1 100 100 MET CA C 100 53.853 53.853 56.106 -2.253 25104 4180 1 5 . 1 1 100 100 MET H H 100 8.563 8.563 8.690 -0.127 25104 4181 1 5 . 1 1 101 101 ALA N N 101 126.225 126.225 125.700 0.525 25104 4182 1 5 . 1 1 101 101 ALA HA H 101 4.362 4.362 4.859 -0.497 25104 4183 1 5 . 1 1 101 101 ALA C C 101 176.471 176.471 175.645 0.826 25104 4184 1 5 . 1 1 101 101 ALA CA C 101 51.743 51.743 52.711 -0.968 25104 4185 1 5 . 1 1 101 101 ALA CB C 101 19.619 19.619 20.358 -0.739 25104 4186 1 5 . 1 1 101 101 ALA H H 101 8.114 8.114 8.336 -0.222 25104 4187 1 5 . 1 1 102 102 ASN N N 102 113.398 113.398 118.834 -5.436 25104 4188 1 5 . 1 1 102 102 ASN HA H 102 4.647 4.647 4.795 -0.148 25104 4189 1 5 . 1 1 102 102 ASN C C 102 174.740 174.740 174.051 0.689 25104 4190 1 5 . 1 1 102 102 ASN CA C 102 54.102 54.102 52.680 1.422 25104 4191 1 5 . 1 1 102 102 ASN CB C 102 40.597 40.597 40.521 0.076 25104 4192 1 5 . 1 1 102 102 ASN H H 102 8.062 8.062 8.287 -0.225 25104 4193 1 5 . 1 1 103 103 ALA N N 103 123.487 123.487 122.698 0.789 25104 4194 1 5 . 1 1 103 103 ALA HA H 103 4.868 4.868 4.582 0.286 25104 4195 1 5 . 1 1 103 103 ALA C C 103 177.823 177.823 176.330 1.493 25104 4196 1 5 . 1 1 103 103 ALA CA C 103 50.380 50.380 52.450 -2.070 25104 4197 1 5 . 1 1 103 103 ALA CB C 103 19.295 19.295 19.186 0.109 25104 4198 1 5 . 1 1 103 103 ALA H H 103 8.822 8.822 8.604 0.218 25104 4199 1 5 . 1 1 104 104 GLY N N 104 109.271 109.271 107.397 1.874 25104 4200 1 5 . 1 1 104 104 GLY CA C 104 43.559 43.559 44.944 -1.385 25104 4201 1 5 . 1 1 104 104 GLY H H 104 8.181 8.181 7.679 0.502 25104 4202 1 5 . 1 1 105 105 PRO HA H 105 4.385 4.385 4.751 -0.366 25104 4203 1 5 . 1 1 105 105 PRO C C 105 177.209 177.209 177.316 -0.107 25104 4204 1 5 . 1 1 105 105 PRO CA C 105 63.976 63.976 63.166 0.810 25104 4205 1 5 . 1 1 105 105 PRO CB C 105 32.136 32.136 31.971 0.165 25104 4206 1 5 . 1 1 106 106 ASN N N 106 119.146 119.146 119.503 -0.357 25104 4207 1 5 . 1 1 106 106 ASN HA H 106 4.052 4.052 4.481 -0.429 25104 4208 1 5 . 1 1 106 106 ASN C C 106 175.857 175.857 175.358 0.499 25104 4209 1 5 . 1 1 106 106 ASN CA C 106 54.279 54.279 54.939 -0.660 25104 4210 1 5 . 1 1 106 106 ASN CB C 106 37.248 37.248 38.035 -0.787 25104 4211 1 5 . 1 1 106 106 ASN H H 106 8.912 8.912 8.954 -0.042 25104 4212 1 5 . 1 1 107 107 THR N N 107 110.101 110.101 111.618 -1.517 25104 4213 1 5 . 1 1 107 107 THR HA H 107 4.493 4.493 4.353 0.140 25104 4214 1 5 . 1 1 107 107 THR C C 107 174.713 174.713 174.490 0.223 25104 4215 1 5 . 1 1 107 107 THR CA C 107 60.294 60.294 63.370 -3.076 25104 4216 1 5 . 1 1 107 107 THR CB C 107 69.030 69.030 69.184 -0.154 25104 4217 1 5 . 1 1 107 107 THR H H 107 10.191 10.191 7.594 2.597 25104 4218 1 5 . 1 1 108 108 ASN N N 108 120.592 120.592 120.581 0.011 25104 4219 1 5 . 1 1 108 108 ASN HA H 108 4.210 4.210 4.125 0.085 25104 4220 1 5 . 1 1 108 108 ASN C C 108 175.078 175.078 175.598 -0.520 25104 4221 1 5 . 1 1 108 108 ASN CA C 108 55.287 55.287 54.106 1.181 25104 4222 1 5 . 1 1 108 108 ASN CB C 108 39.036 39.036 38.267 0.769 25104 4223 1 5 . 1 1 108 108 ASN H H 108 7.410 7.410 7.585 -0.175 25104 4224 1 5 . 1 1 109 109 GLY N N 109 110.835 110.835 110.227 0.608 25104 4225 1 5 . 1 1 109 109 GLY C C 109 172.087 172.087 173.312 -1.225 25104 4226 1 5 . 1 1 109 109 GLY CA C 109 45.940 45.940 45.265 0.675 25104 4227 1 5 . 1 1 109 109 GLY H H 109 9.192 9.192 8.328 0.864 25104 4228 1 5 . 1 1 110 110 SER N N 110 117.149 117.149 117.686 -0.537 25104 4229 1 5 . 1 1 110 110 SER HA H 110 4.751 4.751 4.978 -0.227 25104 4230 1 5 . 1 1 110 110 SER C C 110 177.075 177.075 174.081 2.994 25104 4231 1 5 . 1 1 110 110 SER CA C 110 57.526 57.526 56.520 1.006 25104 4232 1 5 . 1 1 110 110 SER CB C 110 66.180 66.180 65.023 1.157 25104 4233 1 5 . 1 1 110 110 SER H H 110 8.793 8.793 7.405 1.388 25104 4234 1 5 . 1 1 111 111 GLN N N 111 124.594 124.594 119.607 4.987 25104 4235 1 5 . 1 1 111 111 GLN HA H 111 4.225 4.225 4.119 0.106 25104 4236 1 5 . 1 1 111 111 GLN C C 111 179.174 179.174 175.134 4.040 25104 4237 1 5 . 1 1 111 111 GLN CA C 111 58.144 58.144 57.306 0.838 25104 4238 1 5 . 1 1 111 111 GLN CB C 111 31.558 31.558 28.660 2.898 25104 4239 1 5 . 1 1 111 111 GLN H H 111 8.438 8.438 8.596 -0.158 25104 4240 1 5 . 1 1 112 112 PHE N N 112 118.008 118.008 114.047 3.961 25104 4241 1 5 . 1 1 112 112 PHE HA H 112 5.806 5.806 5.167 0.639 25104 4242 1 5 . 1 1 112 112 PHE C C 112 172.840 172.840 173.469 -0.629 25104 4243 1 5 . 1 1 112 112 PHE CA C 112 55.584 55.584 55.713 -0.129 25104 4244 1 5 . 1 1 112 112 PHE CB C 112 43.323 43.323 42.199 1.124 25104 4245 1 5 . 1 1 112 112 PHE H H 112 8.120 8.120 7.936 0.184 25104 4246 1 5 . 1 1 113 113 PHE N N 113 116.406 116.406 117.382 -0.976 25104 4247 1 5 . 1 1 113 113 PHE HA H 113 5.739 5.739 5.586 0.153 25104 4248 1 5 . 1 1 113 113 PHE C C 113 175.349 175.349 173.661 1.688 25104 4249 1 5 . 1 1 113 113 PHE CA C 113 54.684 54.684 55.012 -0.328 25104 4250 1 5 . 1 1 113 113 PHE CB C 113 42.825 42.825 42.575 0.249 25104 4251 1 5 . 1 1 113 113 PHE H H 113 9.832 9.832 8.834 0.998 25104 4252 1 5 . 1 1 114 114 ILE N N 114 118.683 118.683 119.968 -1.285 25104 4253 1 5 . 1 1 114 114 ILE HA H 114 4.842 4.842 5.071 -0.229 25104 4254 1 5 . 1 1 114 114 ILE C C 114 178.414 178.414 175.761 2.653 25104 4255 1 5 . 1 1 114 114 ILE CA C 114 60.265 60.265 59.738 0.527 25104 4256 1 5 . 1 1 114 114 ILE CB C 114 40.466 40.466 40.603 -0.137 25104 4257 1 5 . 1 1 114 114 ILE H H 114 9.156 9.156 8.809 0.347 25104 4258 1 5 . 1 1 115 115 CYS N N 115 125.524 125.524 127.468 -1.944 25104 4259 1 5 . 1 1 115 115 CYS HA H 115 4.808 4.808 4.927 -0.119 25104 4260 1 5 . 1 1 115 115 CYS C C 115 177.658 177.658 176.310 1.348 25104 4261 1 5 . 1 1 115 115 CYS CA C 115 60.803 60.803 57.251 3.552 25104 4262 1 5 . 1 1 115 115 CYS CB C 115 28.723 28.723 26.628 2.095 25104 4263 1 5 . 1 1 115 115 CYS H H 115 9.616 9.616 8.723 0.893 25104 4264 1 5 . 1 1 116 116 THR N N 116 115.801 115.801 117.150 -1.349 25104 4265 1 5 . 1 1 116 116 THR HA H 116 4.380 4.380 4.175 0.205 25104 4266 1 5 . 1 1 116 116 THR C C 116 178.496 178.496 174.758 3.738 25104 4267 1 5 . 1 1 116 116 THR CA C 116 60.844 60.844 64.083 -3.239 25104 4268 1 5 . 1 1 116 116 THR CB C 116 66.730 66.730 69.230 -2.500 25104 4269 1 5 . 1 1 116 116 THR H H 116 8.990 8.990 8.315 0.675 25104 4270 1 5 . 1 1 117 117 ALA N N 117 122.356 122.356 124.075 -1.719 25104 4271 1 5 . 1 1 117 117 ALA HA H 117 4.420 4.420 4.513 -0.093 25104 4272 1 5 . 1 1 117 117 ALA C C 117 176.114 176.114 175.549 0.565 25104 4273 1 5 . 1 1 117 117 ALA CA C 117 50.668 50.668 50.702 -0.034 25104 4274 1 5 . 1 1 117 117 ALA CB C 117 22.795 22.795 20.371 2.424 25104 4275 1 5 . 1 1 117 117 ALA H H 117 7.641 7.641 7.724 -0.083 25104 4276 1 5 . 1 1 118 118 LYS N N 118 119.855 119.855 118.790 1.065 25104 4277 1 5 . 1 1 118 118 LYS HA H 118 3.840 3.840 4.367 -0.527 25104 4278 1 5 . 1 1 118 118 LYS C C 118 177.211 177.211 176.991 0.220 25104 4279 1 5 . 1 1 118 118 LYS CA C 118 57.913 57.913 56.307 1.606 25104 4280 1 5 . 1 1 118 118 LYS CB C 118 32.708 32.708 32.316 0.392 25104 4281 1 5 . 1 1 118 118 LYS H H 118 8.693 8.693 8.260 0.433 25104 4282 1 5 . 1 1 119 119 THR N N 119 119.004 119.004 116.866 2.138 25104 4283 1 5 . 1 1 119 119 THR HA H 119 3.730 3.730 3.841 -0.111 25104 4284 1 5 . 1 1 119 119 THR C C 119 177.928 177.928 174.671 3.257 25104 4285 1 5 . 1 1 119 119 THR CA C 119 57.301 57.301 59.932 -2.631 25104 4286 1 5 . 1 1 119 119 THR CB C 119 68.717 68.717 68.119 0.598 25104 4287 1 5 . 1 1 119 119 THR H H 119 7.373 7.373 8.233 -0.860 25104 4288 1 5 . 1 1 120 120 GLU N N 120 124.713 124.713 123.943 0.770 25104 4289 1 5 . 1 1 120 120 GLU HA H 120 4.162 4.162 4.298 -0.136 25104 4290 1 5 . 1 1 120 120 GLU C C 120 178.190 178.190 177.447 0.743 25104 4291 1 5 . 1 1 120 120 GLU CA C 120 59.334 59.334 58.829 0.505 25104 4292 1 5 . 1 1 120 120 GLU CB C 120 29.322 29.322 29.414 -0.092 25104 4293 1 5 . 1 1 120 120 GLU H H 120 9.139 9.139 8.469 0.670 25104 4294 1 5 . 1 1 121 121 TRP N N 121 117.782 117.782 116.067 1.715 25104 4295 1 5 . 1 1 121 121 TRP HA H 121 4.716 4.716 4.660 0.056 25104 4296 1 5 . 1 1 121 121 TRP C C 121 177.244 177.244 175.924 1.320 25104 4297 1 5 . 1 1 121 121 TRP CA C 121 59.748 59.748 56.867 2.881 25104 4298 1 5 . 1 1 121 121 TRP CB C 121 26.947 26.947 28.643 -1.696 25104 4299 1 5 . 1 1 121 121 TRP H H 121 7.297 7.297 7.910 -0.613 25104 4300 1 5 . 1 1 122 122 LEU N N 122 119.806 119.806 119.580 0.226 25104 4301 1 5 . 1 1 122 122 LEU HA H 122 4.315 4.315 4.257 0.058 25104 4302 1 5 . 1 1 122 122 LEU C C 122 173.304 173.304 176.534 -3.230 25104 4303 1 5 . 1 1 122 122 LEU CA C 122 54.543 54.543 54.238 0.305 25104 4304 1 5 . 1 1 122 122 LEU CB C 122 39.075 39.075 41.014 -1.939 25104 4305 1 5 . 1 1 122 122 LEU H H 122 7.037 7.037 6.954 0.083 25104 4306 1 5 . 1 1 123 123 ASP N N 123 122.205 122.205 120.610 1.595 25104 4307 1 5 . 1 1 123 123 ASP HA H 123 5.222 5.222 4.660 0.562 25104 4308 1 5 . 1 1 123 123 ASP C C 123 179.276 179.276 177.098 2.178 25104 4309 1 5 . 1 1 123 123 ASP CA C 123 55.889 55.889 55.894 -0.005 25104 4310 1 5 . 1 1 123 123 ASP CB C 123 39.517 39.517 41.899 -2.382 25104 4311 1 5 . 1 1 123 123 ASP H H 123 7.643 7.643 7.406 0.237 25104 4312 1 5 . 1 1 124 124 GLY N N 124 111.205 111.205 110.550 0.655 25104 4313 1 5 . 1 1 124 124 GLY C C 124 173.148 173.148 174.817 -1.669 25104 4314 1 5 . 1 1 124 124 GLY CA C 124 45.114 45.114 45.415 -0.301 25104 4315 1 5 . 1 1 124 124 GLY H H 124 9.550 9.550 8.738 0.812 25104 4316 1 5 . 1 1 125 125 LYS N N 125 115.408 115.408 120.821 -5.413 25104 4317 1 5 . 1 1 125 125 LYS HA H 125 4.173 4.173 4.331 -0.158 25104 4318 1 5 . 1 1 125 125 LYS C C 125 176.351 176.351 176.195 0.156 25104 4319 1 5 . 1 1 125 125 LYS CA C 125 56.341 56.341 56.096 0.245 25104 4320 1 5 . 1 1 125 125 LYS CB C 125 35.504 35.504 32.983 2.521 25104 4321 1 5 . 1 1 125 125 LYS H H 125 7.765 7.765 7.587 0.178 25104 4322 1 5 . 1 1 126 126 HIS N N 126 119.526 119.526 119.276 0.250 25104 4323 1 5 . 1 1 126 126 HIS HA H 126 4.863 4.863 4.545 0.318 25104 4324 1 5 . 1 1 126 126 HIS C C 126 174.784 174.784 176.125 -1.341 25104 4325 1 5 . 1 1 126 126 HIS CA C 126 54.923 54.923 56.902 -1.979 25104 4326 1 5 . 1 1 126 126 HIS CB C 126 31.675 31.675 30.276 1.399 25104 4327 1 5 . 1 1 126 126 HIS H H 126 7.600 7.600 8.350 -0.750 25104 4328 1 5 . 1 1 127 127 VAL N N 127 125.009 125.009 126.469 -1.460 25104 4329 1 5 . 1 1 127 127 VAL HA H 127 4.307 4.307 3.792 0.515 25104 4330 1 5 . 1 1 127 127 VAL C C 127 176.442 176.442 175.015 1.427 25104 4331 1 5 . 1 1 127 127 VAL CA C 127 63.893 63.893 62.786 1.107 25104 4332 1 5 . 1 1 127 127 VAL CB C 127 33.553 33.553 32.610 0.943 25104 4333 1 5 . 1 1 127 127 VAL H H 127 8.523 8.523 8.216 0.307 25104 4334 1 5 . 1 1 128 128 VAL N N 128 133.065 133.065 124.162 8.903 25104 4335 1 5 . 1 1 128 128 VAL HA H 128 4.176 4.176 3.711 0.465 25104 4336 1 5 . 1 1 128 128 VAL C C 128 176.113 176.113 175.824 0.289 25104 4337 1 5 . 1 1 128 128 VAL CA C 128 63.172 63.172 64.441 -1.269 25104 4338 1 5 . 1 1 128 128 VAL CB C 128 31.612 31.612 31.722 -0.110 25104 4339 1 5 . 1 1 128 128 VAL H H 128 9.474 9.474 7.658 1.816 25104 4340 1 5 . 1 1 129 129 PHE N N 129 117.892 117.892 119.292 -1.400 25104 4341 1 5 . 1 1 129 129 PHE HA H 129 5.308 5.308 4.900 0.408 25104 4342 1 5 . 1 1 129 129 PHE C C 129 173.725 173.725 174.464 -0.739 25104 4343 1 5 . 1 1 129 129 PHE CA C 129 55.969 55.969 57.042 -1.073 25104 4344 1 5 . 1 1 129 129 PHE CB C 129 42.581 42.581 41.057 1.524 25104 4345 1 5 . 1 1 129 129 PHE H H 129 8.138 8.138 7.890 0.248 25104 4346 1 5 . 1 1 130 130 GLY N N 130 110.747 110.747 105.723 5.024 25104 4347 1 5 . 1 1 130 130 GLY C C 130 171.591 171.591 171.643 -0.052 25104 4348 1 5 . 1 1 130 130 GLY CA C 130 46.505 46.505 44.324 2.181 25104 4349 1 5 . 1 1 130 130 GLY H H 130 7.356 7.356 7.025 0.331 25104 4350 1 5 . 1 1 131 131 LYS N N 131 115.453 115.453 120.352 -4.899 25104 4351 1 5 . 1 1 131 131 LYS HA H 131 5.246 5.246 4.998 0.248 25104 4352 1 5 . 1 1 131 131 LYS C C 131 176.109 176.109 175.210 0.899 25104 4353 1 5 . 1 1 131 131 LYS CA C 131 54.887 54.887 55.353 -0.466 25104 4354 1 5 . 1 1 131 131 LYS CB C 131 36.077 36.077 36.949 -0.872 25104 4355 1 5 . 1 1 131 131 LYS H H 131 8.390 8.390 7.955 0.435 25104 4356 1 5 . 1 1 132 132 VAL N N 132 124.311 124.311 127.319 -3.008 25104 4357 1 5 . 1 1 132 132 VAL HA H 132 3.955 3.955 4.002 -0.047 25104 4358 1 5 . 1 1 132 132 VAL C C 132 176.489 176.489 176.316 0.173 25104 4359 1 5 . 1 1 132 132 VAL CA C 132 64.284 64.284 63.879 0.405 25104 4360 1 5 . 1 1 132 132 VAL CB C 132 32.709 32.709 30.606 2.103 25104 4361 1 5 . 1 1 132 132 VAL H H 132 9.071 9.071 8.528 0.543 25104 4362 1 5 . 1 1 133 133 LYS N N 133 131.670 131.670 127.230 4.440 25104 4363 1 5 . 1 1 133 133 LYS HA H 133 4.483 4.483 4.325 0.158 25104 4364 1 5 . 1 1 133 133 LYS C C 133 176.283 176.283 176.846 -0.563 25104 4365 1 5 . 1 1 133 133 LYS CA C 133 56.978 56.978 57.407 -0.429 25104 4366 1 5 . 1 1 133 133 LYS CB C 133 34.028 34.028 33.377 0.651 25104 4367 1 5 . 1 1 133 133 LYS H H 133 9.494 9.494 8.344 1.150 25104 4368 1 5 . 1 1 134 134 GLU N N 134 118.417 118.417 117.724 0.693 25104 4369 1 5 . 1 1 134 134 GLU HA H 134 4.639 4.639 4.466 0.173 25104 4370 1 5 . 1 1 134 134 GLU C C 134 175.925 175.925 175.594 0.331 25104 4371 1 5 . 1 1 134 134 GLU CA C 134 55.235 55.235 55.349 -0.114 25104 4372 1 5 . 1 1 134 134 GLU CB C 134 32.909 32.909 33.032 -0.123 25104 4373 1 5 . 1 1 134 134 GLU H H 134 7.571 7.571 7.778 -0.207 25104 4374 1 5 . 1 1 135 135 GLY N N 135 108.109 108.109 108.892 -0.783 25104 4375 1 5 . 1 1 135 135 GLY C C 135 178.060 178.060 175.292 2.768 25104 4376 1 5 . 1 1 135 135 GLY CA C 135 46.195 46.195 46.435 -0.240 25104 4377 1 5 . 1 1 135 135 GLY H H 135 8.695 8.695 8.726 -0.031 25104 4378 1 5 . 1 1 136 136 MET N N 136 122.582 122.582 119.266 3.316 25104 4379 1 5 . 1 1 136 136 MET HA H 136 4.496 4.496 4.206 0.290 25104 4380 1 5 . 1 1 136 136 MET C C 136 178.649 178.649 176.835 1.814 25104 4381 1 5 . 1 1 136 136 MET CA C 136 56.829 56.829 56.382 0.447 25104 4382 1 5 . 1 1 136 136 MET CB C 136 30.215 30.215 32.338 -2.123 25104 4383 1 5 . 1 1 136 136 MET H H 136 8.854 8.854 8.043 0.811 25104 4384 1 5 . 1 1 137 137 ASN N N 137 114.457 114.457 116.815 -2.358 25104 4385 1 5 . 1 1 137 137 ASN HA H 137 4.504 4.504 4.642 -0.138 25104 4386 1 5 . 1 1 137 137 ASN C C 137 178.441 178.441 177.539 0.902 25104 4387 1 5 . 1 1 137 137 ASN CA C 137 55.819 55.819 56.278 -0.459 25104 4388 1 5 . 1 1 137 137 ASN CB C 137 36.016 36.016 38.174 -2.158 25104 4389 1 5 . 1 1 137 137 ASN H H 137 8.932 8.932 8.731 0.201 25104 4390 1 5 . 1 1 138 138 ILE N N 138 124.190 124.190 119.542 4.648 25104 4391 1 5 . 1 1 138 138 ILE HA H 138 3.800 3.800 3.929 -0.129 25104 4392 1 5 . 1 1 138 138 ILE C C 138 178.595 178.595 177.707 0.888 25104 4393 1 5 . 1 1 138 138 ILE CA C 138 61.581 61.581 62.865 -1.284 25104 4394 1 5 . 1 1 138 138 ILE CB C 138 34.468 34.468 36.877 -2.409 25104 4395 1 5 . 1 1 138 138 ILE H H 138 7.686 7.686 7.476 0.210 25104 4396 1 5 . 1 1 139 139 VAL N N 139 121.912 121.912 120.528 1.384 25104 4397 1 5 . 1 1 139 139 VAL HA H 139 3.879 3.879 3.664 0.215 25104 4398 1 5 . 1 1 139 139 VAL C C 139 179.051 179.051 178.384 0.667 25104 4399 1 5 . 1 1 139 139 VAL CA C 139 66.206 66.206 66.717 -0.511 25104 4400 1 5 . 1 1 139 139 VAL CB C 139 31.195 31.195 30.810 0.385 25104 4401 1 5 . 1 1 139 139 VAL H H 139 7.286 7.286 7.493 -0.207 25104 4402 1 5 . 1 1 140 140 GLU N N 140 117.357 117.357 119.253 -1.896 25104 4403 1 5 . 1 1 140 140 GLU HA H 140 4.095 4.095 3.936 0.159 25104 4404 1 5 . 1 1 140 140 GLU C C 140 180.486 180.486 178.742 1.744 25104 4405 1 5 . 1 1 140 140 GLU CA C 140 59.336 59.336 59.344 -0.008 25104 4406 1 5 . 1 1 140 140 GLU CB C 140 30.199 30.199 29.283 0.916 25104 4407 1 5 . 1 1 140 140 GLU H H 140 8.309 8.309 8.174 0.135 25104 4408 1 5 . 1 1 141 141 ALA N N 141 121.133 121.133 121.320 -0.187 25104 4409 1 5 . 1 1 141 141 ALA HA H 141 4.118 4.118 4.046 0.072 25104 4410 1 5 . 1 1 141 141 ALA C C 141 181.524 181.524 179.815 1.709 25104 4411 1 5 . 1 1 141 141 ALA CA C 141 54.771 54.771 54.804 -0.033 25104 4412 1 5 . 1 1 141 141 ALA CB C 141 18.207 18.207 18.458 -0.251 25104 4413 1 5 . 1 1 141 141 ALA H H 141 7.539 7.539 7.791 -0.252 25104 4414 1 5 . 1 1 142 142 MET N N 142 117.513 117.513 117.148 0.365 25104 4415 1 5 . 1 1 142 142 MET HA H 142 3.993 3.993 4.539 -0.546 25104 4416 1 5 . 1 1 142 142 MET C C 142 178.862 178.862 178.372 0.490 25104 4417 1 5 . 1 1 142 142 MET CA C 142 59.678 59.678 58.706 0.972 25104 4418 1 5 . 1 1 142 142 MET CB C 142 33.723 33.723 32.317 1.406 25104 4419 1 5 . 1 1 142 142 MET H H 142 8.284 8.284 7.975 0.309 25104 4420 1 5 . 1 1 143 143 GLU N N 143 116.365 116.365 120.325 -3.960 25104 4421 1 5 . 1 1 143 143 GLU HA H 143 3.772 3.772 4.065 -0.293 25104 4422 1 5 . 1 1 143 143 GLU C C 143 179.051 179.051 178.886 0.165 25104 4423 1 5 . 1 1 143 143 GLU CA C 143 59.345 59.345 59.133 0.212 25104 4424 1 5 . 1 1 143 143 GLU CB C 143 30.470 30.470 29.375 1.095 25104 4425 1 5 . 1 1 143 143 GLU H H 143 7.853 7.853 8.168 -0.315 25104 4426 1 5 . 1 1 144 144 ARG N N 144 114.753 114.753 117.860 -3.107 25104 4427 1 5 . 1 1 144 144 ARG HA H 144 3.978 3.978 4.048 -0.070 25104 4428 1 5 . 1 1 144 144 ARG C C 144 178.222 178.222 177.823 0.399 25104 4429 1 5 . 1 1 144 144 ARG CA C 144 57.669 57.669 57.919 -0.250 25104 4430 1 5 . 1 1 144 144 ARG CB C 144 29.523 29.523 30.043 -0.520 25104 4431 1 5 . 1 1 144 144 ARG H H 144 7.082 7.082 7.376 -0.294 25104 4432 1 5 . 1 1 145 145 PHE N N 145 115.388 115.388 116.593 -1.205 25104 4433 1 5 . 1 1 145 145 PHE HA H 145 4.851 4.851 4.490 0.361 25104 4434 1 5 . 1 1 145 145 PHE C C 145 176.868 176.868 175.643 1.225 25104 4435 1 5 . 1 1 145 145 PHE CA C 145 57.717 57.717 58.953 -1.236 25104 4436 1 5 . 1 1 145 145 PHE CB C 145 38.998 38.998 38.700 0.298 25104 4437 1 5 . 1 1 145 145 PHE H H 145 7.651 7.651 7.404 0.247 25104 4438 1 5 . 1 1 146 146 GLY N N 146 104.842 104.842 106.681 -1.839 25104 4439 1 5 . 1 1 146 146 GLY C C 146 172.946 172.946 173.300 -0.354 25104 4440 1 5 . 1 1 146 146 GLY CA C 146 44.065 44.065 44.294 -0.229 25104 4441 1 5 . 1 1 146 146 GLY H H 146 7.551 7.551 7.504 0.047 25104 4442 1 5 . 1 1 147 147 SER N N 147 110.079 110.079 112.940 -2.861 25104 4443 1 5 . 1 1 147 147 SER HA H 147 4.813 4.813 4.891 -0.078 25104 4444 1 5 . 1 1 147 147 SER C C 147 176.384 176.384 175.705 0.679 25104 4445 1 5 . 1 1 147 147 SER CA C 147 58.165 58.165 55.850 2.314 25104 4446 1 5 . 1 1 147 147 SER CB C 147 65.804 65.804 64.606 1.198 25104 4447 1 5 . 1 1 147 147 SER H H 147 8.229 8.229 8.179 0.050 25104 4448 1 5 . 1 1 148 148 ARG N N 148 120.299 120.299 122.136 -1.837 25104 4449 1 5 . 1 1 148 148 ARG HA H 148 4.221 4.221 4.154 0.067 25104 4450 1 5 . 1 1 148 148 ARG C C 148 177.709 177.709 177.025 0.684 25104 4451 1 5 . 1 1 148 148 ARG CA C 148 59.810 59.810 58.742 1.068 25104 4452 1 5 . 1 1 148 148 ARG CB C 148 29.896 29.896 29.940 -0.044 25104 4453 1 5 . 1 1 148 148 ARG H H 148 8.850 8.850 8.737 0.113 25104 4454 1 5 . 1 1 149 149 ASN N N 149 111.689 111.689 115.121 -3.432 25104 4455 1 5 . 1 1 149 149 ASN HA H 149 4.901 4.901 4.745 0.156 25104 4456 1 5 . 1 1 149 149 ASN C C 149 177.708 177.708 176.163 1.545 25104 4457 1 5 . 1 1 149 149 ASN CA C 149 52.305 52.305 52.418 -0.113 25104 4458 1 5 . 1 1 149 149 ASN CB C 149 38.477 38.477 38.046 0.431 25104 4459 1 5 . 1 1 149 149 ASN H H 149 7.891 7.891 7.728 0.163 25104 4460 1 5 . 1 1 150 150 GLY N N 150 110.138 110.138 108.476 1.662 25104 4461 1 5 . 1 1 150 150 GLY C C 150 174.368 174.368 174.258 0.110 25104 4462 1 5 . 1 1 150 150 GLY CA C 150 45.257 45.257 45.201 0.056 25104 4463 1 5 . 1 1 150 150 GLY H H 150 8.087 8.087 8.000 0.087 25104 4464 1 5 . 1 1 151 151 LYS N N 151 119.859 119.859 122.165 -2.306 25104 4465 1 5 . 1 1 151 151 LYS HA H 151 4.466 4.466 4.275 0.191 25104 4466 1 5 . 1 1 151 151 LYS C C 151 179.533 179.533 176.051 3.482 25104 4467 1 5 . 1 1 151 151 LYS CA C 151 57.088 57.088 56.667 0.421 25104 4468 1 5 . 1 1 151 151 LYS CB C 151 32.435 32.435 33.102 -0.667 25104 4469 1 5 . 1 1 151 151 LYS H H 151 7.534 7.534 7.558 -0.024 25104 4470 1 5 . 1 1 152 152 THR N N 152 116.442 116.442 117.962 -1.520 25104 4471 1 5 . 1 1 152 152 THR HA H 152 5.579 5.579 4.537 1.042 25104 4472 1 5 . 1 1 152 152 THR C C 152 176.969 176.969 175.114 1.855 25104 4473 1 5 . 1 1 152 152 THR CA C 152 60.097 60.097 61.584 -1.487 25104 4474 1 5 . 1 1 152 152 THR CB C 152 71.324 71.324 68.597 2.727 25104 4475 1 5 . 1 1 152 152 THR H H 152 8.837 8.837 8.453 0.384 25104 4476 1 5 . 1 1 153 153 SER N N 153 117.113 117.113 121.242 -4.129 25104 4477 1 5 . 1 1 153 153 SER HA H 153 4.574 4.574 4.414 0.160 25104 4478 1 5 . 1 1 153 153 SER C C 153 175.737 175.737 174.674 1.063 25104 4479 1 5 . 1 1 153 153 SER CA C 153 58.222 58.222 60.827 -2.605 25104 4480 1 5 . 1 1 153 153 SER CB C 153 63.922 63.922 63.626 0.296 25104 4481 1 5 . 1 1 153 153 SER H H 153 9.424 9.424 8.745 0.679 25104 4482 1 5 . 1 1 154 154 LYS N N 154 119.347 119.347 120.094 -0.747 25104 4483 1 5 . 1 1 154 154 LYS HA H 154 4.594 4.594 4.455 0.139 25104 4484 1 5 . 1 1 154 154 LYS C C 154 175.436 175.436 175.549 -0.113 25104 4485 1 5 . 1 1 154 154 LYS CA C 154 54.578 54.578 53.741 0.837 25104 4486 1 5 . 1 1 154 154 LYS CB C 154 38.443 38.443 33.941 4.502 25104 4487 1 5 . 1 1 154 154 LYS H H 154 7.566 7.566 7.434 0.132 25104 4488 1 5 . 1 1 155 155 LYS N N 155 121.869 121.869 125.492 -3.623 25104 4489 1 5 . 1 1 155 155 LYS HA H 155 4.348 4.348 4.353 -0.005 25104 4490 1 5 . 1 1 155 155 LYS C C 155 176.946 176.946 175.827 1.119 25104 4491 1 5 . 1 1 155 155 LYS CA C 155 56.325 56.325 55.175 1.150 25104 4492 1 5 . 1 1 155 155 LYS CB C 155 32.136 32.136 31.122 1.014 25104 4493 1 5 . 1 1 155 155 LYS H H 155 8.820 8.820 8.569 0.251 25104 4494 1 5 . 1 1 156 156 ILE N N 156 134.145 134.145 130.201 3.944 25104 4495 1 5 . 1 1 156 156 ILE HA H 156 5.134 5.134 4.964 0.170 25104 4496 1 5 . 1 1 156 156 ILE C C 156 177.451 177.451 175.341 2.110 25104 4497 1 5 . 1 1 156 156 ILE CA C 156 59.538 59.538 60.965 -1.427 25104 4498 1 5 . 1 1 156 156 ILE CB C 156 37.167 37.167 37.911 -0.744 25104 4499 1 5 . 1 1 156 156 ILE H H 156 9.609 9.609 8.001 1.608 25104 4500 1 5 . 1 1 157 157 THR N N 157 117.447 117.447 118.916 -1.469 25104 4501 1 5 . 1 1 157 157 THR HA H 157 5.311 5.311 5.320 -0.009 25104 4502 1 5 . 1 1 157 157 THR C C 157 174.572 174.572 174.216 0.356 25104 4503 1 5 . 1 1 157 157 THR CA C 157 59.679 59.679 59.333 0.346 25104 4504 1 5 . 1 1 157 157 THR CB C 157 72.708 72.708 72.175 0.533 25104 4505 1 5 . 1 1 157 157 THR H H 157 9.281 9.281 8.952 0.329 25104 4506 1 5 . 1 1 158 158 ILE N N 158 121.950 121.950 123.936 -1.986 25104 4507 1 5 . 1 1 158 158 ILE HA H 158 4.293 4.293 4.397 -0.104 25104 4508 1 5 . 1 1 158 158 ILE C C 158 175.631 175.631 176.644 -1.013 25104 4509 1 5 . 1 1 158 158 ILE CA C 158 60.992 60.992 61.903 -0.911 25104 4510 1 5 . 1 1 158 158 ILE CB C 158 36.826 36.826 36.194 0.631 25104 4511 1 5 . 1 1 158 158 ILE H H 158 8.624 8.624 8.384 0.240 25104 4512 1 5 . 1 1 159 159 ALA N N 159 132.727 132.727 130.592 2.135 25104 4513 1 5 . 1 1 159 159 ALA HA H 159 4.179 4.179 3.975 0.204 25104 4514 1 5 . 1 1 159 159 ALA C C 159 179.489 179.489 176.759 2.730 25104 4515 1 5 . 1 1 159 159 ALA CA C 159 54.243 54.243 55.206 -0.963 25104 4516 1 5 . 1 1 159 159 ALA CB C 159 18.804 18.804 19.271 -0.467 25104 4517 1 5 . 1 1 159 159 ALA H H 159 8.910 8.910 8.753 0.157 25104 4518 1 5 . 1 1 160 160 ASP N N 160 111.561 111.561 111.681 -0.120 25104 4519 1 5 . 1 1 160 160 ASP HA H 160 4.937 4.937 5.011 -0.074 25104 4520 1 5 . 1 1 160 160 ASP C C 160 173.920 173.920 174.180 -0.260 25104 4521 1 5 . 1 1 160 160 ASP CA C 160 52.873 52.873 53.367 -0.494 25104 4522 1 5 . 1 1 160 160 ASP CB C 160 43.620 43.620 44.710 -1.090 25104 4523 1 5 . 1 1 160 160 ASP H H 160 8.107 8.107 7.848 0.259 25104 4524 1 5 . 1 1 161 161 CYS N N 161 116.145 116.145 116.855 -0.710 25104 4525 1 5 . 1 1 161 161 CYS HA H 161 4.626 4.626 5.939 -1.313 25104 4526 1 5 . 1 1 161 161 CYS C C 161 173.426 173.426 174.383 -0.957 25104 4527 1 5 . 1 1 161 161 CYS CA C 161 55.518 55.518 56.302 -0.784 25104 4528 1 5 . 1 1 161 161 CYS CB C 161 31.463 31.463 31.793 -0.330 25104 4529 1 5 . 1 1 161 161 CYS H H 161 8.640 8.640 8.638 0.002 25104 4530 1 5 . 1 1 162 162 GLY N N 162 104.114 104.114 107.965 -3.851 25104 4531 1 5 . 1 1 162 162 GLY C C 162 171.116 171.116 173.675 -2.559 25104 4532 1 5 . 1 1 162 162 GLY CA C 162 45.436 45.436 45.089 0.347 25104 4533 1 5 . 1 1 162 162 GLY H H 162 6.889 6.889 8.478 -1.589 25104 4534 1 5 . 1 1 163 163 GLN N N 163 121.022 121.022 120.792 0.230 25104 4535 1 5 . 1 1 163 163 GLN HA H 163 5.150 5.150 4.165 0.985 25104 4536 1 5 . 1 1 163 163 GLN C C 163 176.548 176.548 174.988 1.560 25104 4537 1 5 . 1 1 163 163 GLN CA C 163 54.794 54.794 56.204 -1.410 25104 4538 1 5 . 1 1 163 163 GLN CB C 163 30.765 30.765 29.124 1.641 25104 4539 1 5 . 1 1 163 163 GLN H H 163 9.062 9.062 8.284 0.778 25104 4540 1 5 . 1 1 164 164 LEU N N 164 126.034 126.034 128.934 -2.900 25104 4541 1 5 . 1 1 164 164 LEU HA H 164 4.641 4.641 4.322 0.319 25104 4542 1 5 . 1 1 164 164 LEU C C 164 177.108 177.108 175.910 1.198 25104 4543 1 5 . 1 1 164 164 LEU CA C 164 55.036 55.036 54.143 0.893 25104 4544 1 5 . 1 1 164 164 LEU CB C 164 43.560 43.560 41.094 2.466 25104 4545 1 5 . 1 1 164 164 LEU H H 164 8.639 8.639 8.569 0.070 25104 4546 1 6 . 1 1 2 2 VAL N N 2 111.261 111.261 120.638 -9.377 25104 4547 1 6 . 1 1 2 2 VAL HA H 2 4.126 4.126 4.233 -0.107 25104 4548 1 6 . 1 1 2 2 VAL C C 2 176.404 176.404 175.372 1.032 25104 4549 1 6 . 1 1 2 2 VAL CA C 2 61.417 61.417 63.209 -1.792 25104 4550 1 6 . 1 1 2 2 VAL CB C 2 33.763 33.763 31.903 1.860 25104 4551 1 6 . 1 1 2 2 VAL H H 2 8.447 8.447 8.340 0.107 25104 4552 1 6 . 1 1 3 3 ASN N N 3 126.056 126.056 121.282 4.774 25104 4553 1 6 . 1 1 3 3 ASN HA H 3 5.205 5.205 5.000 0.205 25104 4554 1 6 . 1 1 3 3 ASN CA C 3 50.987 50.987 51.622 -0.635 25104 4555 1 6 . 1 1 3 3 ASN CB C 3 38.031 38.031 39.074 -1.043 25104 4556 1 6 . 1 1 3 3 ASN H H 3 8.666 8.666 7.982 0.684 25104 4557 1 6 . 1 1 4 4 PRO HA H 4 4.818 4.818 4.458 0.360 25104 4558 1 6 . 1 1 4 4 PRO C C 4 176.242 176.242 176.052 0.190 25104 4559 1 6 . 1 1 4 4 PRO CA C 4 62.832 62.832 62.526 0.306 25104 4560 1 6 . 1 1 4 4 PRO CB C 4 33.162 33.162 32.906 0.256 25104 4561 1 6 . 1 1 5 5 THR N N 5 115.265 115.265 117.394 -2.129 25104 4562 1 6 . 1 1 5 5 THR HA H 5 5.759 5.759 4.988 0.771 25104 4563 1 6 . 1 1 5 5 THR C C 5 176.483 176.483 174.409 2.074 25104 4564 1 6 . 1 1 5 5 THR CA C 5 60.867 60.867 61.972 -1.105 25104 4565 1 6 . 1 1 5 5 THR CB C 5 71.050 71.050 70.513 0.537 25104 4566 1 6 . 1 1 5 5 THR H H 5 8.787 8.787 7.956 0.831 25104 4567 1 6 . 1 1 6 6 VAL N N 6 120.640 120.640 123.733 -3.093 25104 4568 1 6 . 1 1 6 6 VAL HA H 6 5.379 5.379 4.175 1.204 25104 4569 1 6 . 1 1 6 6 VAL C C 6 174.710 174.710 174.133 0.577 25104 4570 1 6 . 1 1 6 6 VAL CA C 6 58.881 58.881 61.734 -2.853 25104 4571 1 6 . 1 1 6 6 VAL CB C 6 36.180 36.180 33.481 2.699 25104 4572 1 6 . 1 1 6 6 VAL H H 6 8.805 8.805 8.464 0.341 25104 4573 1 6 . 1 1 7 7 PHE N N 7 119.359 119.359 125.270 -5.911 25104 4574 1 6 . 1 1 7 7 PHE HA H 7 5.948 5.948 5.184 0.764 25104 4575 1 6 . 1 1 7 7 PHE C C 7 173.634 173.634 173.467 0.167 25104 4576 1 6 . 1 1 7 7 PHE CA C 7 55.925 55.925 56.432 -0.507 25104 4577 1 6 . 1 1 7 7 PHE CB C 7 43.166 43.166 42.670 0.496 25104 4578 1 6 . 1 1 7 7 PHE H H 7 8.995 8.995 8.505 0.490 25104 4579 1 6 . 1 1 8 8 PHE N N 8 117.097 117.097 123.718 -6.621 25104 4580 1 6 . 1 1 8 8 PHE HA H 8 5.367 5.367 4.998 0.369 25104 4581 1 6 . 1 1 8 8 PHE C C 8 176.000 176.000 173.671 2.329 25104 4582 1 6 . 1 1 8 8 PHE CA C 8 53.460 53.460 55.319 -1.859 25104 4583 1 6 . 1 1 8 8 PHE CB C 8 42.791 42.791 43.753 -0.962 25104 4584 1 6 . 1 1 8 8 PHE H H 8 9.571 9.571 8.649 0.922 25104 4585 1 6 . 1 1 9 9 ASP N N 9 124.287 124.287 122.119 2.168 25104 4586 1 6 . 1 1 9 9 ASP HA H 9 5.585 5.585 5.119 0.466 25104 4587 1 6 . 1 1 9 9 ASP C C 9 176.286 176.286 174.946 1.340 25104 4588 1 6 . 1 1 9 9 ASP CA C 9 54.831 54.831 53.716 1.115 25104 4589 1 6 . 1 1 9 9 ASP CB C 9 41.366 41.366 43.274 -1.908 25104 4590 1 6 . 1 1 9 9 ASP H H 9 9.301 9.301 8.749 0.552 25104 4591 1 6 . 1 1 10 10 ILE N N 10 124.286 124.286 124.035 0.251 25104 4592 1 6 . 1 1 10 10 ILE HA H 10 5.213 5.213 4.254 0.959 25104 4593 1 6 . 1 1 10 10 ILE C C 10 177.031 177.031 174.530 2.501 25104 4594 1 6 . 1 1 10 10 ILE CA C 10 58.233 58.233 59.436 -1.203 25104 4595 1 6 . 1 1 10 10 ILE CB C 10 37.769 37.769 37.101 0.668 25104 4596 1 6 . 1 1 10 10 ILE H H 10 9.059 9.059 8.294 0.765 25104 4597 1 6 . 1 1 11 11 ALA N N 11 132.503 132.503 130.474 2.029 25104 4598 1 6 . 1 1 11 11 ALA HA H 11 5.216 5.216 5.073 0.143 25104 4599 1 6 . 1 1 11 11 ALA C C 11 175.928 175.928 175.352 0.576 25104 4600 1 6 . 1 1 11 11 ALA CA C 11 50.948 50.948 50.306 0.642 25104 4601 1 6 . 1 1 11 11 ALA CB C 11 22.804 22.804 22.921 -0.117 25104 4602 1 6 . 1 1 11 11 ALA H H 11 9.642 9.642 8.852 0.790 25104 4603 1 6 . 1 1 12 12 VAL N N 12 118.551 118.551 122.418 -3.867 25104 4604 1 6 . 1 1 12 12 VAL HA H 12 4.578 4.578 4.003 0.575 25104 4605 1 6 . 1 1 12 12 VAL C C 12 177.347 177.347 175.786 1.561 25104 4606 1 6 . 1 1 12 12 VAL CA C 12 60.457 60.457 61.701 -1.244 25104 4607 1 6 . 1 1 12 12 VAL CB C 12 33.301 33.301 31.490 1.811 25104 4608 1 6 . 1 1 12 12 VAL H H 12 8.984 8.984 8.407 0.577 25104 4609 1 6 . 1 1 13 13 ASP N N 13 131.009 131.009 128.153 2.856 25104 4610 1 6 . 1 1 13 13 ASP HA H 13 4.359 4.359 4.279 0.080 25104 4611 1 6 . 1 1 13 13 ASP C C 13 176.795 176.795 176.226 0.569 25104 4612 1 6 . 1 1 13 13 ASP CA C 13 55.880 55.880 55.664 0.215 25104 4613 1 6 . 1 1 13 13 ASP CB C 13 39.999 39.999 39.674 0.325 25104 4614 1 6 . 1 1 13 13 ASP H H 13 9.868 9.868 9.016 0.852 25104 4615 1 6 . 1 1 14 14 GLY N N 14 101.848 101.848 104.672 -2.824 25104 4616 1 6 . 1 1 14 14 GLY C C 14 174.700 174.700 174.538 0.162 25104 4617 1 6 . 1 1 14 14 GLY CA C 14 45.303 45.303 44.978 0.325 25104 4618 1 6 . 1 1 14 14 GLY H H 14 8.578 8.578 8.394 0.184 25104 4619 1 6 . 1 1 15 15 GLU N N 15 123.331 123.331 123.119 0.212 25104 4620 1 6 . 1 1 15 15 GLU HA H 15 4.891 4.891 4.736 0.155 25104 4621 1 6 . 1 1 15 15 GLU CA C 15 52.932 52.932 53.425 -0.493 25104 4622 1 6 . 1 1 15 15 GLU CB C 15 30.468 30.468 29.383 1.085 25104 4623 1 6 . 1 1 15 15 GLU H H 15 8.086 8.086 7.848 0.238 25104 4624 1 6 . 1 1 16 16 PRO HA H 16 4.240 4.240 4.315 -0.075 25104 4625 1 6 . 1 1 16 16 PRO C C 16 177.072 177.072 176.103 0.969 25104 4626 1 6 . 1 1 16 16 PRO CA C 16 64.838 64.838 63.345 1.493 25104 4627 1 6 . 1 1 16 16 PRO CB C 16 32.368 32.368 31.927 0.441 25104 4628 1 6 . 1 1 17 17 LEU N N 17 126.051 126.051 125.968 0.083 25104 4629 1 6 . 1 1 17 17 LEU HA H 17 4.739 4.739 4.485 0.254 25104 4630 1 6 . 1 1 17 17 LEU C C 17 176.975 176.975 176.718 0.257 25104 4631 1 6 . 1 1 17 17 LEU CA C 17 55.511 55.511 55.504 0.007 25104 4632 1 6 . 1 1 17 17 LEU CB C 17 44.257 44.257 43.253 1.004 25104 4633 1 6 . 1 1 17 17 LEU H H 17 9.237 9.237 8.494 0.743 25104 4634 1 6 . 1 1 18 18 GLY N N 18 102.496 102.496 105.357 -2.861 25104 4635 1 6 . 1 1 18 18 GLY C C 18 170.997 170.997 171.540 -0.543 25104 4636 1 6 . 1 1 18 18 GLY CA C 18 44.713 44.713 44.891 -0.178 25104 4637 1 6 . 1 1 18 18 GLY H H 18 7.303 7.303 7.729 -0.426 25104 4638 1 6 . 1 1 19 19 ARG N N 19 121.330 121.330 120.178 1.152 25104 4639 1 6 . 1 1 19 19 ARG HA H 19 5.665 5.665 4.630 1.035 25104 4640 1 6 . 1 1 19 19 ARG C C 19 176.011 176.011 175.335 0.676 25104 4641 1 6 . 1 1 19 19 ARG CA C 19 55.106 55.106 55.185 -0.079 25104 4642 1 6 . 1 1 19 19 ARG CB C 19 33.587 33.587 31.782 1.806 25104 4643 1 6 . 1 1 19 19 ARG H H 19 8.348 8.348 8.420 -0.072 25104 4644 1 6 . 1 1 20 20 VAL N N 20 126.859 126.859 125.854 1.005 25104 4645 1 6 . 1 1 20 20 VAL HA H 20 4.650 4.650 4.277 0.373 25104 4646 1 6 . 1 1 20 20 VAL C C 20 174.836 174.836 174.179 0.657 25104 4647 1 6 . 1 1 20 20 VAL CA C 20 59.966 59.966 60.967 -1.001 25104 4648 1 6 . 1 1 20 20 VAL CB C 20 35.034 35.034 34.602 0.432 25104 4649 1 6 . 1 1 20 20 VAL H H 20 9.400 9.400 8.285 1.115 25104 4650 1 6 . 1 1 21 21 SER N N 21 120.319 120.319 120.591 -0.272 25104 4651 1 6 . 1 1 21 21 SER HA H 21 5.565 5.565 5.231 0.334 25104 4652 1 6 . 1 1 21 21 SER C C 21 174.694 174.694 173.705 0.989 25104 4653 1 6 . 1 1 21 21 SER CA C 21 55.462 55.462 56.398 -0.935 25104 4654 1 6 . 1 1 21 21 SER CB C 21 66.546 66.546 65.571 0.975 25104 4655 1 6 . 1 1 21 21 SER H H 21 8.791 8.791 8.231 0.560 25104 4656 1 6 . 1 1 22 22 PHE N N 22 119.239 119.239 122.500 -3.261 25104 4657 1 6 . 1 1 22 22 PHE HA H 22 5.279 5.279 5.154 0.125 25104 4658 1 6 . 1 1 22 22 PHE C C 22 176.190 176.190 175.790 0.400 25104 4659 1 6 . 1 1 22 22 PHE CA C 22 55.882 55.882 56.344 -0.462 25104 4660 1 6 . 1 1 22 22 PHE CB C 22 42.673 42.673 42.464 0.209 25104 4661 1 6 . 1 1 22 22 PHE H H 22 9.553 9.553 8.788 0.765 25104 4662 1 6 . 1 1 23 23 GLU N N 23 123.308 123.308 121.229 2.079 25104 4663 1 6 . 1 1 23 23 GLU HA H 23 4.797 4.797 4.791 0.006 25104 4664 1 6 . 1 1 23 23 GLU C C 23 175.673 175.673 175.358 0.315 25104 4665 1 6 . 1 1 23 23 GLU CA C 23 55.119 55.119 54.907 0.212 25104 4666 1 6 . 1 1 23 23 GLU CB C 23 32.058 32.058 32.253 -0.195 25104 4667 1 6 . 1 1 23 23 GLU H H 23 8.791 8.791 8.614 0.177 25104 4668 1 6 . 1 1 24 24 LEU N N 24 122.539 122.539 127.381 -4.842 25104 4669 1 6 . 1 1 24 24 LEU HA H 24 4.749 4.749 4.741 0.008 25104 4670 1 6 . 1 1 24 24 LEU C C 24 178.229 178.229 177.201 1.028 25104 4671 1 6 . 1 1 24 24 LEU CA C 24 51.899 51.899 54.426 -2.527 25104 4672 1 6 . 1 1 24 24 LEU CB C 24 43.248 43.248 42.503 0.745 25104 4673 1 6 . 1 1 24 24 LEU H H 24 8.198 8.198 8.723 -0.525 25104 4674 1 6 . 1 1 25 25 PHE N N 25 124.715 124.715 123.935 0.780 25104 4675 1 6 . 1 1 25 25 PHE HA H 25 5.171 5.171 4.836 0.335 25104 4676 1 6 . 1 1 25 25 PHE C C 25 177.485 177.485 175.621 1.864 25104 4677 1 6 . 1 1 25 25 PHE CA C 25 54.699 54.699 57.235 -2.536 25104 4678 1 6 . 1 1 25 25 PHE CB C 25 36.100 36.100 36.724 -0.624 25104 4679 1 6 . 1 1 25 25 PHE H H 25 8.864 8.864 9.267 -0.403 25104 4680 1 6 . 1 1 26 26 ALA N N 26 128.663 128.663 125.144 3.519 25104 4681 1 6 . 1 1 26 26 ALA HA H 26 3.838 3.838 4.198 -0.360 25104 4682 1 6 . 1 1 26 26 ALA C C 26 177.291 177.291 177.860 -0.569 25104 4683 1 6 . 1 1 26 26 ALA CA C 26 54.316 54.316 54.607 -0.291 25104 4684 1 6 . 1 1 26 26 ALA CB C 26 19.002 19.002 18.770 0.232 25104 4685 1 6 . 1 1 26 26 ALA H H 26 8.480 8.480 7.702 0.778 25104 4686 1 6 . 1 1 27 27 ASP N N 27 114.191 114.191 115.436 -1.245 25104 4687 1 6 . 1 1 27 27 ASP HA H 27 4.197 4.197 4.499 -0.302 25104 4688 1 6 . 1 1 27 27 ASP C C 27 177.976 177.976 176.950 1.026 25104 4689 1 6 . 1 1 27 27 ASP CA C 27 55.410 55.410 55.995 -0.585 25104 4690 1 6 . 1 1 27 27 ASP CB C 27 38.821 38.821 40.434 -1.613 25104 4691 1 6 . 1 1 27 27 ASP H H 27 9.145 9.145 8.618 0.527 25104 4692 1 6 . 1 1 28 28 LYS N N 28 118.107 118.107 118.271 -0.164 25104 4693 1 6 . 1 1 28 28 LYS HA H 28 4.599 4.599 4.484 0.115 25104 4694 1 6 . 1 1 28 28 LYS C C 28 177.840 177.840 177.294 0.546 25104 4695 1 6 . 1 1 28 28 LYS CA C 28 56.262 56.262 57.434 -1.172 25104 4696 1 6 . 1 1 28 28 LYS CB C 28 36.006 36.006 35.239 0.768 25104 4697 1 6 . 1 1 28 28 LYS H H 28 7.569 7.569 7.604 -0.035 25104 4698 1 6 . 1 1 29 29 VAL N N 29 114.551 114.551 115.406 -0.855 25104 4699 1 6 . 1 1 29 29 VAL HA H 29 4.487 4.487 4.740 -0.253 25104 4700 1 6 . 1 1 29 29 VAL CA C 29 58.309 58.309 58.529 -0.220 25104 4701 1 6 . 1 1 29 29 VAL CB C 29 32.078 32.078 31.603 0.475 25104 4702 1 6 . 1 1 29 29 VAL H H 29 8.364 8.364 8.216 0.148 25104 4703 1 6 . 1 1 30 30 PRO HA H 30 4.450 4.450 4.363 0.087 25104 4704 1 6 . 1 1 30 30 PRO C C 30 181.892 181.892 178.697 3.195 25104 4705 1 6 . 1 1 30 30 PRO CA C 30 66.227 66.227 65.771 0.456 25104 4706 1 6 . 1 1 30 30 PRO CB C 30 31.547 31.547 31.805 -0.258 25104 4707 1 6 . 1 1 31 31 LYS N N 31 123.785 123.785 118.982 4.803 25104 4708 1 6 . 1 1 31 31 LYS HA H 31 4.105 4.105 4.131 -0.026 25104 4709 1 6 . 1 1 31 31 LYS C C 31 182.749 182.749 178.853 3.896 25104 4710 1 6 . 1 1 31 31 LYS CA C 31 61.057 61.057 60.244 0.813 25104 4711 1 6 . 1 1 31 31 LYS CB C 31 32.468 32.468 32.236 0.231 25104 4712 1 6 . 1 1 31 31 LYS H H 31 10.684 10.684 7.963 2.721 25104 4713 1 6 . 1 1 32 32 THR N N 32 124.002 124.002 114.577 9.425 25104 4714 1 6 . 1 1 32 32 THR HA H 32 4.034 4.034 4.351 -0.317 25104 4715 1 6 . 1 1 32 32 THR C C 32 178.673 178.673 176.054 2.619 25104 4716 1 6 . 1 1 32 32 THR CA C 32 67.526 67.526 65.918 1.608 25104 4717 1 6 . 1 1 32 32 THR CB C 32 68.705 68.705 68.840 -0.135 25104 4718 1 6 . 1 1 32 32 THR H H 32 10.320 10.320 7.764 2.556 25104 4719 1 6 . 1 1 33 33 ALA N N 33 125.616 125.616 123.975 1.641 25104 4720 1 6 . 1 1 33 33 ALA HA H 33 4.092 4.092 4.264 -0.172 25104 4721 1 6 . 1 1 33 33 ALA C C 33 179.174 179.174 179.251 -0.077 25104 4722 1 6 . 1 1 33 33 ALA CA C 33 55.972 55.972 55.271 0.701 25104 4723 1 6 . 1 1 33 33 ALA CB C 33 18.414 18.414 18.265 0.149 25104 4724 1 6 . 1 1 33 33 ALA H H 33 9.311 9.311 8.178 1.133 25104 4725 1 6 . 1 1 34 34 GLU N N 34 117.376 117.376 118.937 -1.561 25104 4726 1 6 . 1 1 34 34 GLU HA H 34 4.556 4.556 4.001 0.555 25104 4727 1 6 . 1 1 34 34 GLU C C 34 178.418 178.418 178.635 -0.217 25104 4728 1 6 . 1 1 34 34 GLU CA C 34 58.238 58.238 59.009 -0.771 25104 4729 1 6 . 1 1 34 34 GLU CB C 34 28.181 28.181 29.489 -1.308 25104 4730 1 6 . 1 1 34 34 GLU H H 34 8.069 8.069 7.984 0.085 25104 4731 1 6 . 1 1 35 35 ASN N N 35 115.722 115.722 118.513 -2.791 25104 4732 1 6 . 1 1 35 35 ASN HA H 35 4.108 4.108 4.299 -0.191 25104 4733 1 6 . 1 1 35 35 ASN C C 35 175.568 175.568 177.341 -1.773 25104 4734 1 6 . 1 1 35 35 ASN CA C 35 56.768 56.768 55.999 0.769 25104 4735 1 6 . 1 1 35 35 ASN CB C 35 39.644 39.644 38.261 1.383 25104 4736 1 6 . 1 1 35 35 ASN H H 35 7.193 7.193 7.865 -0.672 25104 4737 1 6 . 1 1 36 36 PHE N N 36 117.929 117.929 120.440 -2.511 25104 4738 1 6 . 1 1 36 36 PHE HA H 36 4.158 4.158 4.049 0.109 25104 4739 1 6 . 1 1 36 36 PHE C C 36 179.707 179.707 177.435 2.272 25104 4740 1 6 . 1 1 36 36 PHE CA C 36 61.589 61.589 60.974 0.615 25104 4741 1 6 . 1 1 36 36 PHE CB C 36 39.948 39.948 39.079 0.869 25104 4742 1 6 . 1 1 36 36 PHE H H 36 7.065 7.065 7.585 -0.520 25104 4743 1 6 . 1 1 37 37 ARG N N 37 121.048 121.048 120.918 0.130 25104 4744 1 6 . 1 1 37 37 ARG HA H 37 3.685 3.685 4.070 -0.385 25104 4745 1 6 . 1 1 37 37 ARG C C 37 179.000 179.000 178.035 0.965 25104 4746 1 6 . 1 1 37 37 ARG CA C 37 60.515 60.515 59.639 0.876 25104 4747 1 6 . 1 1 37 37 ARG CB C 37 29.880 29.880 30.198 -0.318 25104 4748 1 6 . 1 1 37 37 ARG H H 37 8.975 8.975 8.306 0.669 25104 4749 1 6 . 1 1 38 38 ALA N N 38 119.232 119.232 121.151 -1.919 25104 4750 1 6 . 1 1 38 38 ALA HA H 38 4.126 4.126 4.328 -0.202 25104 4751 1 6 . 1 1 38 38 ALA C C 38 183.365 183.365 179.520 3.845 25104 4752 1 6 . 1 1 38 38 ALA CA C 38 54.477 54.477 54.393 0.084 25104 4753 1 6 . 1 1 38 38 ALA CB C 38 18.405 18.405 18.721 -0.316 25104 4754 1 6 . 1 1 38 38 ALA H H 38 8.741 8.741 7.851 0.890 25104 4755 1 6 . 1 1 39 39 LEU N N 39 120.723 120.723 118.443 2.280 25104 4756 1 6 . 1 1 39 39 LEU HA H 39 3.800 3.800 4.197 -0.397 25104 4757 1 6 . 1 1 39 39 LEU C C 39 180.481 180.481 178.642 1.839 25104 4758 1 6 . 1 1 39 39 LEU CA C 39 57.268 57.268 57.699 -0.431 25104 4759 1 6 . 1 1 39 39 LEU CB C 39 41.218 41.218 41.442 -0.224 25104 4760 1 6 . 1 1 39 39 LEU H H 39 8.212 8.212 7.916 0.296 25104 4761 1 6 . 1 1 40 40 SER N N 40 119.210 119.210 114.738 4.472 25104 4762 1 6 . 1 1 40 40 SER HA H 40 4.341 4.341 4.223 0.118 25104 4763 1 6 . 1 1 40 40 SER C C 40 175.380 175.380 176.586 -1.206 25104 4764 1 6 . 1 1 40 40 SER CA C 40 62.924 62.924 61.465 1.459 25104 4765 1 6 . 1 1 40 40 SER CB C 40 62.992 62.992 63.050 -0.058 25104 4766 1 6 . 1 1 40 40 SER H H 40 7.938 7.938 8.156 -0.218 25104 4767 1 6 . 1 1 41 41 THR N N 41 108.556 108.556 112.468 -3.912 25104 4768 1 6 . 1 1 41 41 THR HA H 41 4.508 4.508 4.283 0.225 25104 4769 1 6 . 1 1 41 41 THR C C 41 179.088 179.088 176.334 2.754 25104 4770 1 6 . 1 1 41 41 THR CA C 41 62.492 62.492 63.788 -1.296 25104 4771 1 6 . 1 1 41 41 THR CB C 41 69.663 69.663 69.255 0.408 25104 4772 1 6 . 1 1 41 41 THR H H 41 8.017 8.017 7.883 0.134 25104 4773 1 6 . 1 1 42 42 GLY N N 42 108.433 108.433 109.734 -1.301 25104 4774 1 6 . 1 1 42 42 GLY C C 42 178.676 178.676 175.478 3.198 25104 4775 1 6 . 1 1 42 42 GLY CA C 42 45.840 45.840 46.035 -0.195 25104 4776 1 6 . 1 1 42 42 GLY H H 42 7.621 7.621 7.941 -0.320 25104 4777 1 6 . 1 1 43 43 GLU N N 43 118.777 118.777 119.707 -0.930 25104 4778 1 6 . 1 1 43 43 GLU HA H 43 4.171 4.171 4.153 0.018 25104 4779 1 6 . 1 1 43 43 GLU C C 43 177.458 177.458 177.219 0.239 25104 4780 1 6 . 1 1 43 43 GLU CA C 43 58.580 58.580 57.049 1.531 25104 4781 1 6 . 1 1 43 43 GLU H H 43 8.049 8.049 7.925 0.124 25104 4782 1 6 . 1 1 44 44 LYS N N 44 118.526 118.526 117.372 1.154 25104 4783 1 6 . 1 1 44 44 LYS HA H 44 4.342 4.342 4.319 0.023 25104 4784 1 6 . 1 1 44 44 LYS C C 44 177.590 177.590 176.597 0.993 25104 4785 1 6 . 1 1 44 44 LYS CA C 44 54.405 54.405 54.807 -0.402 25104 4786 1 6 . 1 1 44 44 LYS CB C 44 30.488 30.488 32.228 -1.740 25104 4787 1 6 . 1 1 44 44 LYS H H 44 9.123 9.123 7.515 1.608 25104 4788 1 6 . 1 1 45 45 GLY N N 45 105.553 105.553 107.157 -1.604 25104 4789 1 6 . 1 1 45 45 GLY C C 45 173.518 173.518 174.143 -0.625 25104 4790 1 6 . 1 1 45 45 GLY CA C 45 44.612 44.612 45.251 -0.638 25104 4791 1 6 . 1 1 45 45 GLY H H 45 7.970 7.970 7.701 0.269 25104 4792 1 6 . 1 1 46 46 PHE N N 46 113.753 113.753 120.170 -6.417 25104 4793 1 6 . 1 1 46 46 PHE HA H 46 4.678 4.678 4.599 0.079 25104 4794 1 6 . 1 1 46 46 PHE C C 46 173.684 173.684 175.690 -2.006 25104 4795 1 6 . 1 1 46 46 PHE CA C 46 54.077 54.077 57.279 -3.202 25104 4796 1 6 . 1 1 46 46 PHE CB C 46 39.658 39.658 40.477 -0.819 25104 4797 1 6 . 1 1 46 46 PHE H H 46 6.469 6.469 7.417 -0.948 25104 4798 1 6 . 1 1 47 47 GLY N N 47 104.722 104.722 109.139 -4.417 25104 4799 1 6 . 1 1 47 47 GLY C C 47 172.446 172.446 175.048 -2.602 25104 4800 1 6 . 1 1 47 47 GLY CA C 47 45.601 45.601 45.716 -0.115 25104 4801 1 6 . 1 1 47 47 GLY H H 47 7.756 7.756 7.895 -0.139 25104 4802 1 6 . 1 1 48 48 TYR N N 48 113.796 113.796 120.810 -7.014 25104 4803 1 6 . 1 1 48 48 TYR HA H 48 4.270 4.270 4.364 -0.094 25104 4804 1 6 . 1 1 48 48 TYR C C 48 178.924 178.924 174.629 4.295 25104 4805 1 6 . 1 1 48 48 TYR CA C 48 57.365 57.365 58.954 -1.589 25104 4806 1 6 . 1 1 48 48 TYR CB C 48 38.832 38.832 37.234 1.598 25104 4807 1 6 . 1 1 48 48 TYR H H 48 6.948 6.948 8.184 -1.236 25104 4808 1 6 . 1 1 49 49 LYS N N 49 124.858 124.858 122.735 2.123 25104 4809 1 6 . 1 1 49 49 LYS HA H 49 3.655 3.655 4.747 -1.092 25104 4810 1 6 . 1 1 49 49 LYS C C 49 178.388 178.388 177.505 0.883 25104 4811 1 6 . 1 1 49 49 LYS CA C 49 61.018 61.018 54.489 6.529 25104 4812 1 6 . 1 1 49 49 LYS CB C 49 31.484 31.484 34.738 -3.254 25104 4813 1 6 . 1 1 49 49 LYS H H 49 8.493 8.493 7.900 0.593 25104 4814 1 6 . 1 1 50 50 GLY N N 50 117.833 117.833 115.448 2.385 25104 4815 1 6 . 1 1 50 50 GLY C C 50 175.259 175.259 173.761 1.498 25104 4816 1 6 . 1 1 50 50 GLY CA C 50 45.495 45.495 45.659 -0.164 25104 4817 1 6 . 1 1 50 50 GLY H H 50 9.509 9.509 8.374 1.135 25104 4818 1 6 . 1 1 51 51 SER N N 51 116.413 116.413 115.287 1.126 25104 4819 1 6 . 1 1 51 51 SER HA H 51 4.516 4.516 4.244 0.272 25104 4820 1 6 . 1 1 51 51 SER C C 51 172.808 172.808 174.723 -1.915 25104 4821 1 6 . 1 1 51 51 SER CA C 51 59.043 59.043 58.728 0.314 25104 4822 1 6 . 1 1 51 51 SER CB C 51 63.781 63.781 63.093 0.688 25104 4823 1 6 . 1 1 51 51 SER H H 51 8.436 8.436 7.942 0.494 25104 4824 1 6 . 1 1 52 52 CYS N N 52 115.156 115.156 122.439 -7.283 25104 4825 1 6 . 1 1 52 52 CYS HA H 52 5.932 5.932 5.252 0.680 25104 4826 1 6 . 1 1 52 52 CYS C C 52 177.437 177.437 173.942 3.495 25104 4827 1 6 . 1 1 52 52 CYS CA C 52 55.998 55.998 56.663 -0.665 25104 4828 1 6 . 1 1 52 52 CYS CB C 52 31.953 31.953 30.046 1.907 25104 4829 1 6 . 1 1 52 52 CYS H H 52 9.875 9.875 8.213 1.662 25104 4830 1 6 . 1 1 53 53 PHE N N 53 123.068 123.068 119.035 4.033 25104 4831 1 6 . 1 1 53 53 PHE HA H 53 4.899 4.899 4.695 0.204 25104 4832 1 6 . 1 1 53 53 PHE C C 53 175.886 175.886 175.960 -0.074 25104 4833 1 6 . 1 1 53 53 PHE CA C 53 58.389 58.389 58.501 -0.112 25104 4834 1 6 . 1 1 53 53 PHE CB C 53 39.535 39.535 41.128 -1.593 25104 4835 1 6 . 1 1 53 53 PHE H H 53 8.732 8.732 8.808 -0.076 25104 4836 1 6 . 1 1 54 54 HIS N N 54 120.227 120.227 114.858 5.369 25104 4837 1 6 . 1 1 54 54 HIS HA H 54 4.763 4.763 4.861 -0.098 25104 4838 1 6 . 1 1 54 54 HIS C C 54 176.409 176.409 174.146 2.263 25104 4839 1 6 . 1 1 54 54 HIS CA C 54 57.323 57.323 56.099 1.224 25104 4840 1 6 . 1 1 54 54 HIS CB C 54 31.542 31.542 32.353 -0.811 25104 4841 1 6 . 1 1 54 54 HIS H H 54 7.696 7.696 8.358 -0.662 25104 4842 1 6 . 1 1 55 55 ARG N N 55 123.202 123.202 121.810 1.392 25104 4843 1 6 . 1 1 55 55 ARG HA H 55 5.118 5.118 5.123 -0.005 25104 4844 1 6 . 1 1 55 55 ARG C C 55 174.511 174.511 174.075 0.436 25104 4845 1 6 . 1 1 55 55 ARG CA C 55 54.913 54.913 54.582 0.331 25104 4846 1 6 . 1 1 55 55 ARG CB C 55 33.805 33.805 31.105 2.700 25104 4847 1 6 . 1 1 55 55 ARG H H 55 7.089 7.089 6.999 0.090 25104 4848 1 6 . 1 1 56 56 ILE N N 56 126.621 126.621 126.652 -0.031 25104 4849 1 6 . 1 1 56 56 ILE HA H 56 4.659 4.659 4.688 -0.029 25104 4850 1 6 . 1 1 56 56 ILE C C 56 174.633 174.633 173.999 0.634 25104 4851 1 6 . 1 1 56 56 ILE CA C 56 61.585 61.585 60.538 1.047 25104 4852 1 6 . 1 1 56 56 ILE CB C 56 41.452 41.452 41.733 -0.281 25104 4853 1 6 . 1 1 56 56 ILE H H 56 9.201 9.201 8.856 0.345 25104 4854 1 6 . 1 1 57 57 ILE N N 57 127.965 127.965 126.365 1.600 25104 4855 1 6 . 1 1 57 57 ILE HA H 57 5.248 5.248 5.168 0.080 25104 4856 1 6 . 1 1 57 57 ILE CA C 57 57.685 57.685 57.538 0.147 25104 4857 1 6 . 1 1 57 57 ILE CB C 57 40.236 40.236 41.005 -0.769 25104 4858 1 6 . 1 1 57 57 ILE H H 57 8.753 8.753 8.755 -0.002 25104 4859 1 6 . 1 1 58 58 PRO HA H 58 4.382 4.382 4.374 0.008 25104 4860 1 6 . 1 1 58 58 PRO C C 58 178.669 178.669 177.652 1.017 25104 4861 1 6 . 1 1 58 58 PRO CA C 58 63.086 63.086 63.452 -0.366 25104 4862 1 6 . 1 1 58 58 PRO CB C 58 31.996 31.996 31.679 0.317 25104 4863 1 6 . 1 1 59 59 GLY N N 59 114.176 114.176 111.867 2.309 25104 4864 1 6 . 1 1 59 59 GLY C C 59 173.281 173.281 173.744 -0.463 25104 4865 1 6 . 1 1 59 59 GLY CA C 59 45.259 45.259 45.724 -0.465 25104 4866 1 6 . 1 1 59 59 GLY H H 59 9.752 9.752 8.678 1.074 25104 4867 1 6 . 1 1 60 60 PHE N N 60 119.241 119.241 118.462 0.779 25104 4868 1 6 . 1 1 60 60 PHE HA H 60 5.153 5.153 4.930 0.223 25104 4869 1 6 . 1 1 60 60 PHE C C 60 174.401 174.401 173.105 1.296 25104 4870 1 6 . 1 1 60 60 PHE CA C 60 56.867 56.867 57.904 -1.037 25104 4871 1 6 . 1 1 60 60 PHE CB C 60 39.954 39.954 42.060 -2.106 25104 4872 1 6 . 1 1 60 60 PHE H H 60 8.196 8.196 8.359 -0.163 25104 4873 1 6 . 1 1 61 61 MET N N 61 111.262 111.262 116.080 -4.818 25104 4874 1 6 . 1 1 61 61 MET HA H 61 5.369 5.369 5.034 0.335 25104 4875 1 6 . 1 1 61 61 MET C C 61 175.163 175.163 173.101 2.062 25104 4876 1 6 . 1 1 61 61 MET CA C 61 55.062 55.062 55.479 -0.417 25104 4877 1 6 . 1 1 61 61 MET CB C 61 35.010 35.010 36.556 -1.546 25104 4878 1 6 . 1 1 61 61 MET H H 61 8.128 8.128 8.361 -0.233 25104 4879 1 6 . 1 1 62 62 CYS N N 62 114.848 114.848 119.662 -4.814 25104 4880 1 6 . 1 1 62 62 CYS HA H 62 4.941 4.941 5.028 -0.087 25104 4881 1 6 . 1 1 62 62 CYS C C 62 174.075 174.075 173.288 0.787 25104 4882 1 6 . 1 1 62 62 CYS CA C 62 57.485 57.485 57.114 0.371 25104 4883 1 6 . 1 1 62 62 CYS CB C 62 30.392 30.392 30.110 0.282 25104 4884 1 6 . 1 1 62 62 CYS H H 62 8.501 8.501 8.718 -0.217 25104 4885 1 6 . 1 1 63 63 GLN N N 63 126.854 126.854 127.254 -0.400 25104 4886 1 6 . 1 1 63 63 GLN HA H 63 5.410 5.410 5.234 0.176 25104 4887 1 6 . 1 1 63 63 GLN C C 63 175.024 175.024 174.581 0.443 25104 4888 1 6 . 1 1 63 63 GLN CA C 63 54.691 54.691 54.492 0.199 25104 4889 1 6 . 1 1 63 63 GLN CB C 63 30.529 30.529 32.021 -1.492 25104 4890 1 6 . 1 1 63 63 GLN H H 63 9.671 9.671 8.727 0.944 25104 4891 1 6 . 1 1 64 64 GLY N N 64 110.745 110.745 110.868 -0.123 25104 4892 1 6 . 1 1 64 64 GLY C C 64 174.113 174.113 172.197 1.916 25104 4893 1 6 . 1 1 64 64 GLY CA C 64 44.788 44.788 44.180 0.608 25104 4894 1 6 . 1 1 64 64 GLY H H 64 7.401 7.401 8.671 -1.270 25104 4895 1 6 . 1 1 65 65 GLY N N 65 105.815 105.815 106.083 -0.268 25104 4896 1 6 . 1 1 65 65 GLY C C 65 176.175 176.175 174.024 2.151 25104 4897 1 6 . 1 1 65 65 GLY CA C 65 46.659 46.659 45.391 1.268 25104 4898 1 6 . 1 1 65 65 GLY H H 65 9.265 9.265 7.334 1.931 25104 4899 1 6 . 1 1 66 66 ASP N N 66 123.911 123.911 121.179 2.732 25104 4900 1 6 . 1 1 66 66 ASP HA H 66 4.337 4.337 4.549 -0.212 25104 4901 1 6 . 1 1 66 66 ASP C C 66 177.105 177.105 174.651 2.454 25104 4902 1 6 . 1 1 66 66 ASP CA C 66 51.592 51.592 53.700 -2.108 25104 4903 1 6 . 1 1 66 66 ASP CB C 66 38.926 38.926 39.610 -0.684 25104 4904 1 6 . 1 1 66 66 ASP H H 66 9.950 9.950 7.452 2.498 25104 4905 1 6 . 1 1 67 67 PHE N N 67 116.285 116.285 125.747 -9.462 25104 4906 1 6 . 1 1 67 67 PHE HA H 67 4.655 4.655 4.608 0.047 25104 4907 1 6 . 1 1 67 67 PHE C C 67 175.240 175.240 174.610 0.630 25104 4908 1 6 . 1 1 67 67 PHE CA C 67 55.683 55.683 58.517 -2.834 25104 4909 1 6 . 1 1 67 67 PHE CB C 67 39.480 39.480 42.235 -2.755 25104 4910 1 6 . 1 1 67 67 PHE H H 67 6.660 6.660 7.936 -1.276 25104 4911 1 6 . 1 1 68 68 THR N N 68 109.280 109.280 116.870 -7.590 25104 4912 1 6 . 1 1 68 68 THR HA H 68 4.692 4.692 4.262 0.430 25104 4913 1 6 . 1 1 68 68 THR C C 68 176.514 176.514 174.638 1.876 25104 4914 1 6 . 1 1 68 68 THR CA C 68 61.962 61.962 62.198 -0.236 25104 4915 1 6 . 1 1 68 68 THR CB C 68 68.922 68.922 69.057 -0.135 25104 4916 1 6 . 1 1 68 68 THR H H 68 7.400 7.400 8.118 -0.718 25104 4917 1 6 . 1 1 69 69 ARG N N 69 122.125 122.125 123.755 -1.630 25104 4918 1 6 . 1 1 69 69 ARG HA H 69 4.421 4.421 3.835 0.586 25104 4919 1 6 . 1 1 69 69 ARG CA C 69 55.265 55.265 56.843 -1.578 25104 4920 1 6 . 1 1 69 69 ARG CB C 69 31.727 31.727 27.710 4.017 25104 4921 1 6 . 1 1 69 69 ARG H H 69 8.719 8.719 9.036 -0.317 25104 4922 1 6 . 1 1 70 70 HIS N N 70 111.574 111.574 116.681 -5.107 25104 4923 1 6 . 1 1 70 70 HIS HA H 70 4.451 4.451 4.724 -0.273 25104 4924 1 6 . 1 1 70 70 HIS C C 70 175.306 175.306 175.039 0.267 25104 4925 1 6 . 1 1 70 70 HIS CA C 70 57.193 57.193 55.100 2.093 25104 4926 1 6 . 1 1 70 70 HIS CB C 70 28.587 28.587 28.047 0.540 25104 4927 1 6 . 1 1 70 70 HIS H H 70 6.865 6.865 8.258 -1.393 25104 4928 1 6 . 1 1 71 71 ASN N N 71 112.710 112.710 120.896 -8.186 25104 4929 1 6 . 1 1 71 71 ASN HA H 71 4.673 4.673 4.712 -0.039 25104 4930 1 6 . 1 1 71 71 ASN C C 71 176.752 176.752 175.163 1.589 25104 4931 1 6 . 1 1 71 71 ASN CA C 71 52.366 52.366 53.245 -0.879 25104 4932 1 6 . 1 1 71 71 ASN CB C 71 39.036 39.036 38.730 0.306 25104 4933 1 6 . 1 1 71 71 ASN H H 71 7.594 7.594 7.959 -0.365 25104 4934 1 6 . 1 1 72 72 GLY N N 72 110.452 110.452 112.209 -1.757 25104 4935 1 6 . 1 1 72 72 GLY C C 72 176.669 176.669 174.269 2.400 25104 4936 1 6 . 1 1 72 72 GLY CA C 72 44.887 44.887 46.010 -1.123 25104 4937 1 6 . 1 1 72 72 GLY H H 72 9.642 9.642 8.860 0.782 25104 4938 1 6 . 1 1 73 73 THR N N 73 112.024 112.024 116.234 -4.210 25104 4939 1 6 . 1 1 73 73 THR HA H 73 4.541 4.541 4.423 0.118 25104 4940 1 6 . 1 1 73 73 THR C C 73 176.905 176.905 174.058 2.847 25104 4941 1 6 . 1 1 73 73 THR CA C 73 62.235 62.235 62.586 -0.351 25104 4942 1 6 . 1 1 73 73 THR CB C 73 70.677 70.677 70.754 -0.077 25104 4943 1 6 . 1 1 73 73 THR H H 73 7.967 7.967 7.482 0.485 25104 4944 1 6 . 1 1 74 74 GLY N N 74 113.872 113.872 111.025 2.847 25104 4945 1 6 . 1 1 74 74 GLY C C 74 176.149 176.149 174.444 1.705 25104 4946 1 6 . 1 1 74 74 GLY CA C 74 45.126 45.126 45.938 -0.812 25104 4947 1 6 . 1 1 74 74 GLY H H 74 8.711 8.711 8.087 0.624 25104 4948 1 6 . 1 1 75 75 GLY N N 75 109.032 109.032 106.361 2.671 25104 4949 1 6 . 1 1 75 75 GLY C C 75 173.012 173.012 174.126 -1.114 25104 4950 1 6 . 1 1 75 75 GLY CA C 75 43.371 43.371 44.692 -1.321 25104 4951 1 6 . 1 1 75 75 GLY H H 75 8.117 8.117 7.792 0.325 25104 4952 1 6 . 1 1 76 76 LYS N N 76 115.705 115.705 119.252 -3.547 25104 4953 1 6 . 1 1 76 76 LYS HA H 76 4.623 4.623 4.757 -0.134 25104 4954 1 6 . 1 1 76 76 LYS C C 76 173.512 173.512 176.603 -3.091 25104 4955 1 6 . 1 1 76 76 LYS CA C 76 55.975 55.975 55.845 0.130 25104 4956 1 6 . 1 1 76 76 LYS CB C 76 34.648 34.648 33.571 1.077 25104 4957 1 6 . 1 1 76 76 LYS H H 76 7.034 7.034 7.800 -0.766 25104 4958 1 6 . 1 1 77 77 SER N N 77 114.354 114.354 114.379 -0.025 25104 4959 1 6 . 1 1 77 77 SER HA H 77 5.240 5.240 4.770 0.470 25104 4960 1 6 . 1 1 77 77 SER C C 77 176.746 176.746 176.400 0.346 25104 4961 1 6 . 1 1 77 77 SER CA C 77 57.077 57.077 57.277 -0.200 25104 4962 1 6 . 1 1 77 77 SER CB C 77 69.863 69.863 65.632 4.231 25104 4963 1 6 . 1 1 77 77 SER H H 77 7.793 7.793 8.136 -0.343 25104 4964 1 6 . 1 1 78 78 ILE N N 78 111.394 111.394 115.684 -4.290 25104 4965 1 6 . 1 1 78 78 ILE HA H 78 4.208 4.208 3.860 0.348 25104 4966 1 6 . 1 1 78 78 ILE C C 78 176.973 176.973 175.340 1.633 25104 4967 1 6 . 1 1 78 78 ILE CA C 78 63.675 63.675 63.020 0.654 25104 4968 1 6 . 1 1 78 78 ILE CB C 78 37.434 37.434 38.010 -0.576 25104 4969 1 6 . 1 1 78 78 ILE H H 78 8.584 8.584 8.558 0.026 25104 4970 1 6 . 1 1 79 79 TYR N N 79 120.757 120.757 119.097 1.660 25104 4971 1 6 . 1 1 79 79 TYR HA H 79 4.718 4.718 4.426 0.292 25104 4972 1 6 . 1 1 79 79 TYR C C 79 176.316 176.316 175.879 0.437 25104 4973 1 6 . 1 1 79 79 TYR CA C 79 56.216 56.216 58.005 -1.789 25104 4974 1 6 . 1 1 79 79 TYR CB C 79 38.891 38.891 37.467 1.424 25104 4975 1 6 . 1 1 79 79 TYR H H 79 8.058 8.058 7.786 0.272 25104 4976 1 6 . 1 1 80 80 GLY N N 80 106.521 106.521 107.555 -1.034 25104 4977 1 6 . 1 1 80 80 GLY CA C 80 46.021 46.021 45.401 0.620 25104 4978 1 6 . 1 1 80 80 GLY H H 80 7.152 7.152 7.297 -0.145 25104 4979 1 6 . 1 1 81 81 GLU N N 81 122.638 122.638 125.771 -3.133 25104 4980 1 6 . 1 1 81 81 GLU HA H 81 4.008 4.008 4.129 -0.121 25104 4981 1 6 . 1 1 81 81 GLU C C 81 176.729 176.729 176.214 0.515 25104 4982 1 6 . 1 1 81 81 GLU CA C 81 60.602 60.602 58.679 1.923 25104 4983 1 6 . 1 1 81 81 GLU CB C 81 29.927 29.927 30.212 -0.285 25104 4984 1 6 . 1 1 81 81 GLU H H 81 8.884 8.884 8.653 0.231 25104 4985 1 6 . 1 1 82 82 LYS N N 82 112.369 112.369 114.293 -1.924 25104 4986 1 6 . 1 1 82 82 LYS HA H 82 5.577 5.577 4.796 0.781 25104 4987 1 6 . 1 1 82 82 LYS C C 82 176.495 176.495 175.054 1.441 25104 4988 1 6 . 1 1 82 82 LYS CA C 82 53.906 53.906 55.393 -1.487 25104 4989 1 6 . 1 1 82 82 LYS CB C 82 36.614 36.614 35.884 0.730 25104 4990 1 6 . 1 1 82 82 LYS H H 82 7.845 7.845 7.752 0.093 25104 4991 1 6 . 1 1 83 83 PHE N N 83 116.638 116.638 113.847 2.791 25104 4992 1 6 . 1 1 83 83 PHE HA H 83 5.000 5.000 4.916 0.084 25104 4993 1 6 . 1 1 83 83 PHE C C 83 174.501 174.501 172.773 1.728 25104 4994 1 6 . 1 1 83 83 PHE CA C 83 56.032 56.032 56.240 -0.208 25104 4995 1 6 . 1 1 83 83 PHE CB C 83 41.258 41.258 41.067 0.191 25104 4996 1 6 . 1 1 83 83 PHE H H 83 9.184 9.184 8.942 0.242 25104 4997 1 6 . 1 1 84 84 GLU N N 84 119.642 119.642 118.395 1.247 25104 4998 1 6 . 1 1 84 84 GLU HA H 84 3.862 3.862 4.146 -0.284 25104 4999 1 6 . 1 1 84 84 GLU C C 84 177.248 177.248 175.038 2.210 25104 5000 1 6 . 1 1 84 84 GLU CA C 84 56.452 56.452 54.655 1.797 25104 5001 1 6 . 1 1 84 84 GLU CB C 84 29.329 29.329 30.918 -1.589 25104 5002 1 6 . 1 1 84 84 GLU H H 84 9.294 9.294 8.258 1.036 25104 5003 1 6 . 1 1 85 85 ASP N N 85 118.870 118.870 119.794 -0.924 25104 5004 1 6 . 1 1 85 85 ASP HA H 85 4.285 4.285 4.483 -0.198 25104 5005 1 6 . 1 1 85 85 ASP C C 85 177.100 177.100 176.404 0.696 25104 5006 1 6 . 1 1 85 85 ASP CA C 85 54.486 54.486 54.462 0.024 25104 5007 1 6 . 1 1 85 85 ASP CB C 85 40.954 40.954 41.294 -0.340 25104 5008 1 6 . 1 1 85 85 ASP H H 85 8.609 8.609 8.330 0.279 25104 5009 1 6 . 1 1 86 86 GLU N N 86 131.636 131.636 124.302 7.334 25104 5010 1 6 . 1 1 86 86 GLU HA H 86 3.851 3.851 4.060 -0.209 25104 5011 1 6 . 1 1 86 86 GLU C C 86 177.266 177.266 175.307 1.959 25104 5012 1 6 . 1 1 86 86 GLU CA C 86 60.354 60.354 58.398 1.956 25104 5013 1 6 . 1 1 86 86 GLU CB C 86 31.877 31.877 30.786 1.091 25104 5014 1 6 . 1 1 86 86 GLU H H 86 9.474 9.474 9.049 0.425 25104 5015 1 6 . 1 1 87 87 ASN N N 87 106.916 106.916 112.720 -5.804 25104 5016 1 6 . 1 1 87 87 ASN HA H 87 4.187 4.187 4.532 -0.345 25104 5017 1 6 . 1 1 87 87 ASN C C 87 171.751 171.751 172.940 -1.189 25104 5018 1 6 . 1 1 87 87 ASN CA C 87 52.828 52.828 52.528 0.300 25104 5019 1 6 . 1 1 87 87 ASN CB C 87 39.490 39.490 39.039 0.451 25104 5020 1 6 . 1 1 87 87 ASN H H 87 7.084 7.084 7.874 -0.790 25104 5021 1 6 . 1 1 88 88 PHE N N 88 113.116 113.116 115.287 -2.171 25104 5022 1 6 . 1 1 88 88 PHE HA H 88 5.964 5.964 4.857 1.107 25104 5023 1 6 . 1 1 88 88 PHE C C 88 178.688 178.688 175.210 3.478 25104 5024 1 6 . 1 1 88 88 PHE CA C 88 55.847 55.847 56.996 -1.149 25104 5025 1 6 . 1 1 88 88 PHE CB C 88 38.876 38.876 39.410 -0.534 25104 5026 1 6 . 1 1 88 88 PHE H H 88 8.356 8.356 8.312 0.044 25104 5027 1 6 . 1 1 89 89 ILE N N 89 119.794 119.794 119.692 0.102 25104 5028 1 6 . 1 1 89 89 ILE HA H 89 3.726 3.726 3.908 -0.182 25104 5029 1 6 . 1 1 89 89 ILE C C 89 178.596 178.596 176.349 2.247 25104 5030 1 6 . 1 1 89 89 ILE CA C 89 64.996 64.996 63.944 1.052 25104 5031 1 6 . 1 1 89 89 ILE CB C 89 39.000 39.000 38.378 0.622 25104 5032 1 6 . 1 1 89 89 ILE H H 89 8.314 8.314 7.798 0.516 25104 5033 1 6 . 1 1 90 90 LEU N N 90 117.361 117.361 118.412 -1.051 25104 5034 1 6 . 1 1 90 90 LEU HA H 90 4.516 4.516 4.262 0.254 25104 5035 1 6 . 1 1 90 90 LEU C C 90 177.345 177.345 175.548 1.797 25104 5036 1 6 . 1 1 90 90 LEU CA C 90 54.196 54.196 54.457 -0.261 25104 5037 1 6 . 1 1 90 90 LEU CB C 90 42.100 42.100 42.617 -0.517 25104 5038 1 6 . 1 1 90 90 LEU H H 90 7.777 7.777 8.043 -0.266 25104 5039 1 6 . 1 1 91 91 LYS N N 91 119.096 119.096 118.304 0.792 25104 5040 1 6 . 1 1 91 91 LYS HA H 91 4.635 4.635 4.249 0.386 25104 5041 1 6 . 1 1 91 91 LYS C C 91 177.296 177.296 175.321 1.975 25104 5042 1 6 . 1 1 91 91 LYS CA C 91 54.689 54.689 54.485 0.204 25104 5043 1 6 . 1 1 91 91 LYS CB C 91 34.841 34.841 34.871 -0.030 25104 5044 1 6 . 1 1 91 91 LYS H H 91 8.086 8.086 7.773 0.313 25104 5045 1 6 . 1 1 92 92 HIS N N 92 122.578 122.578 119.144 3.434 25104 5046 1 6 . 1 1 92 92 HIS HA H 92 4.408 4.408 4.706 -0.298 25104 5047 1 6 . 1 1 92 92 HIS C C 92 178.794 178.794 174.317 4.477 25104 5048 1 6 . 1 1 92 92 HIS CA C 92 56.886 56.886 56.303 0.583 25104 5049 1 6 . 1 1 92 92 HIS CB C 92 26.041 26.041 27.920 -1.879 25104 5050 1 6 . 1 1 92 92 HIS H H 92 10.736 10.736 9.029 1.707 25104 5051 1 6 . 1 1 93 93 THR N N 93 110.479 110.479 114.149 -3.670 25104 5052 1 6 . 1 1 93 93 THR HA H 93 4.056 4.056 4.475 -0.419 25104 5053 1 6 . 1 1 93 93 THR C C 93 176.456 176.456 173.391 3.065 25104 5054 1 6 . 1 1 93 93 THR CA C 93 63.324 63.324 60.694 2.630 25104 5055 1 6 . 1 1 93 93 THR CB C 93 69.416 69.416 69.192 0.224 25104 5056 1 6 . 1 1 93 93 THR H H 93 7.315 7.315 7.491 -0.176 25104 5057 1 6 . 1 1 94 94 GLY N N 94 107.272 107.272 108.143 -0.871 25104 5058 1 6 . 1 1 94 94 GLY C C 94 178.117 178.117 171.697 6.420 25104 5059 1 6 . 1 1 94 94 GLY H H 94 7.530 7.530 7.357 0.173 25104 5060 1 6 . 1 1 95 95 PRO HA H 95 3.856 3.856 4.474 -0.618 25104 5061 1 6 . 1 1 95 95 PRO CA C 95 62.687 62.687 62.458 0.229 25104 5062 1 6 . 1 1 95 95 PRO CB C 95 32.137 32.137 32.903 -0.766 25104 5063 1 6 . 1 1 96 96 GLY N N 96 110.210 110.210 109.741 0.469 25104 5064 1 6 . 1 1 96 96 GLY C C 96 174.025 174.025 174.814 -0.789 25104 5065 1 6 . 1 1 96 96 GLY CA C 96 45.068 45.068 45.568 -0.500 25104 5066 1 6 . 1 1 96 96 GLY H H 96 9.305 9.305 8.364 0.941 25104 5067 1 6 . 1 1 97 97 ILE N N 97 121.517 121.517 121.976 -0.459 25104 5068 1 6 . 1 1 97 97 ILE HA H 97 4.173 4.173 4.094 0.079 25104 5069 1 6 . 1 1 97 97 ILE C C 97 174.196 174.196 174.730 -0.534 25104 5070 1 6 . 1 1 97 97 ILE CA C 97 59.398 59.398 60.167 -0.769 25104 5071 1 6 . 1 1 97 97 ILE CB C 97 37.922 37.922 35.757 2.165 25104 5072 1 6 . 1 1 97 97 ILE H H 97 6.826 6.826 7.910 -1.084 25104 5073 1 6 . 1 1 98 98 LEU N N 98 128.948 128.948 131.049 -2.101 25104 5074 1 6 . 1 1 98 98 LEU HA H 98 5.010 5.010 4.936 0.074 25104 5075 1 6 . 1 1 98 98 LEU C C 98 175.316 175.316 174.562 0.754 25104 5076 1 6 . 1 1 98 98 LEU CA C 98 53.350 53.350 53.465 -0.115 25104 5077 1 6 . 1 1 98 98 LEU CB C 98 43.813 43.813 43.074 0.739 25104 5078 1 6 . 1 1 98 98 LEU H H 98 7.907 7.907 8.040 -0.133 25104 5079 1 6 . 1 1 99 99 SER N N 99 118.834 118.834 120.408 -1.574 25104 5080 1 6 . 1 1 99 99 SER HA H 99 5.346 5.346 4.768 0.578 25104 5081 1 6 . 1 1 99 99 SER C C 99 175.732 175.732 172.672 3.060 25104 5082 1 6 . 1 1 99 99 SER CA C 99 55.011 55.011 56.964 -1.953 25104 5083 1 6 . 1 1 99 99 SER CB C 99 65.370 65.370 65.136 0.234 25104 5084 1 6 . 1 1 99 99 SER H H 99 8.307 8.307 8.448 -0.141 25104 5085 1 6 . 1 1 100 100 MET N N 100 123.079 123.079 124.858 -1.779 25104 5086 1 6 . 1 1 100 100 MET HA H 100 5.338 5.338 4.751 0.587 25104 5087 1 6 . 1 1 100 100 MET C C 100 178.920 178.920 175.421 3.499 25104 5088 1 6 . 1 1 100 100 MET CA C 100 53.853 53.853 55.854 -2.001 25104 5089 1 6 . 1 1 100 100 MET H H 100 8.563 8.563 8.404 0.159 25104 5090 1 6 . 1 1 101 101 ALA N N 101 126.225 126.225 124.084 2.141 25104 5091 1 6 . 1 1 101 101 ALA HA H 101 4.362 4.362 4.761 -0.399 25104 5092 1 6 . 1 1 101 101 ALA C C 101 176.471 176.471 176.519 -0.048 25104 5093 1 6 . 1 1 101 101 ALA CA C 101 51.743 51.743 52.481 -0.738 25104 5094 1 6 . 1 1 101 101 ALA CB C 101 19.619 19.619 20.442 -0.823 25104 5095 1 6 . 1 1 101 101 ALA H H 101 8.114 8.114 8.353 -0.239 25104 5096 1 6 . 1 1 102 102 ASN N N 102 113.398 113.398 118.226 -4.828 25104 5097 1 6 . 1 1 102 102 ASN HA H 102 4.647 4.647 4.917 -0.270 25104 5098 1 6 . 1 1 102 102 ASN C C 102 174.740 174.740 174.702 0.038 25104 5099 1 6 . 1 1 102 102 ASN CA C 102 54.102 54.102 52.629 1.473 25104 5100 1 6 . 1 1 102 102 ASN CB C 102 40.597 40.597 40.809 -0.212 25104 5101 1 6 . 1 1 102 102 ASN H H 102 8.062 8.062 8.047 0.015 25104 5102 1 6 . 1 1 103 103 ALA N N 103 123.487 123.487 124.306 -0.819 25104 5103 1 6 . 1 1 103 103 ALA HA H 103 4.868 4.868 4.442 0.426 25104 5104 1 6 . 1 1 103 103 ALA C C 103 177.823 177.823 176.415 1.408 25104 5105 1 6 . 1 1 103 103 ALA CA C 103 50.380 50.380 53.331 -2.951 25104 5106 1 6 . 1 1 103 103 ALA CB C 103 19.295 19.295 19.213 0.082 25104 5107 1 6 . 1 1 103 103 ALA H H 103 8.822 8.822 8.712 0.110 25104 5108 1 6 . 1 1 104 104 GLY N N 104 109.271 109.271 106.148 3.123 25104 5109 1 6 . 1 1 104 104 GLY CA C 104 43.559 43.559 44.107 -0.548 25104 5110 1 6 . 1 1 104 104 GLY H H 104 8.181 8.181 7.856 0.325 25104 5111 1 6 . 1 1 105 105 PRO HA H 105 4.385 4.385 4.576 -0.191 25104 5112 1 6 . 1 1 105 105 PRO C C 105 177.209 177.209 177.160 0.049 25104 5113 1 6 . 1 1 105 105 PRO CA C 105 63.976 63.976 62.983 0.993 25104 5114 1 6 . 1 1 105 105 PRO CB C 105 32.136 32.136 32.205 -0.069 25104 5115 1 6 . 1 1 106 106 ASN N N 106 119.146 119.146 117.729 1.417 25104 5116 1 6 . 1 1 106 106 ASN HA H 106 4.052 4.052 4.484 -0.432 25104 5117 1 6 . 1 1 106 106 ASN C C 106 175.857 175.857 175.290 0.567 25104 5118 1 6 . 1 1 106 106 ASN CA C 106 54.279 54.279 54.853 -0.575 25104 5119 1 6 . 1 1 106 106 ASN CB C 106 37.248 37.248 38.111 -0.863 25104 5120 1 6 . 1 1 106 106 ASN H H 106 8.912 8.912 9.040 -0.128 25104 5121 1 6 . 1 1 107 107 THR N N 107 110.101 110.101 111.045 -0.944 25104 5122 1 6 . 1 1 107 107 THR HA H 107 4.493 4.493 4.387 0.106 25104 5123 1 6 . 1 1 107 107 THR C C 107 174.713 174.713 173.812 0.901 25104 5124 1 6 . 1 1 107 107 THR CA C 107 60.294 60.294 62.031 -1.737 25104 5125 1 6 . 1 1 107 107 THR CB C 107 69.030 69.030 69.322 -0.292 25104 5126 1 6 . 1 1 107 107 THR H H 107 10.191 10.191 7.584 2.607 25104 5127 1 6 . 1 1 108 108 ASN N N 108 120.592 120.592 121.044 -0.452 25104 5128 1 6 . 1 1 108 108 ASN HA H 108 4.210 4.210 4.359 -0.149 25104 5129 1 6 . 1 1 108 108 ASN C C 108 175.078 175.078 175.280 -0.202 25104 5130 1 6 . 1 1 108 108 ASN CA C 108 55.287 55.287 53.347 1.940 25104 5131 1 6 . 1 1 108 108 ASN CB C 108 39.036 39.036 38.490 0.546 25104 5132 1 6 . 1 1 108 108 ASN H H 108 7.410 7.410 7.263 0.147 25104 5133 1 6 . 1 1 109 109 GLY N N 109 110.835 110.835 109.844 0.991 25104 5134 1 6 . 1 1 109 109 GLY C C 109 172.087 172.087 173.074 -0.987 25104 5135 1 6 . 1 1 109 109 GLY CA C 109 45.940 45.940 45.442 0.498 25104 5136 1 6 . 1 1 109 109 GLY H H 109 9.192 9.192 8.464 0.728 25104 5137 1 6 . 1 1 110 110 SER N N 110 117.149 117.149 115.107 2.042 25104 5138 1 6 . 1 1 110 110 SER HA H 110 4.751 4.751 5.146 -0.395 25104 5139 1 6 . 1 1 110 110 SER C C 110 177.075 177.075 173.848 3.227 25104 5140 1 6 . 1 1 110 110 SER CA C 110 57.526 57.526 56.113 1.413 25104 5141 1 6 . 1 1 110 110 SER CB C 110 66.180 66.180 65.584 0.596 25104 5142 1 6 . 1 1 110 110 SER H H 110 8.793 8.793 7.375 1.418 25104 5143 1 6 . 1 1 111 111 GLN N N 111 124.594 124.594 120.151 4.443 25104 5144 1 6 . 1 1 111 111 GLN HA H 111 4.225 4.225 4.071 0.154 25104 5145 1 6 . 1 1 111 111 GLN C C 111 179.174 179.174 175.096 4.078 25104 5146 1 6 . 1 1 111 111 GLN CA C 111 58.144 58.144 57.518 0.626 25104 5147 1 6 . 1 1 111 111 GLN CB C 111 31.558 31.558 28.884 2.674 25104 5148 1 6 . 1 1 111 111 GLN H H 111 8.438 8.438 8.637 -0.199 25104 5149 1 6 . 1 1 112 112 PHE N N 112 118.008 118.008 114.307 3.701 25104 5150 1 6 . 1 1 112 112 PHE HA H 112 5.806 5.806 5.378 0.428 25104 5151 1 6 . 1 1 112 112 PHE C C 112 172.840 172.840 173.492 -0.652 25104 5152 1 6 . 1 1 112 112 PHE CA C 112 55.584 55.584 55.457 0.127 25104 5153 1 6 . 1 1 112 112 PHE CB C 112 43.323 43.323 42.178 1.145 25104 5154 1 6 . 1 1 112 112 PHE H H 112 8.120 8.120 8.134 -0.014 25104 5155 1 6 . 1 1 113 113 PHE N N 113 116.406 116.406 116.738 -0.332 25104 5156 1 6 . 1 1 113 113 PHE HA H 113 5.739 5.739 5.573 0.166 25104 5157 1 6 . 1 1 113 113 PHE C C 113 175.349 175.349 173.733 1.616 25104 5158 1 6 . 1 1 113 113 PHE CA C 113 54.684 54.684 55.067 -0.383 25104 5159 1 6 . 1 1 113 113 PHE CB C 113 42.825 42.825 42.533 0.291 25104 5160 1 6 . 1 1 113 113 PHE H H 113 9.832 9.832 8.839 0.993 25104 5161 1 6 . 1 1 114 114 ILE N N 114 118.683 118.683 120.892 -2.209 25104 5162 1 6 . 1 1 114 114 ILE HA H 114 4.842 4.842 4.816 0.026 25104 5163 1 6 . 1 1 114 114 ILE C C 114 178.414 178.414 176.058 2.356 25104 5164 1 6 . 1 1 114 114 ILE CA C 114 60.265 60.265 59.892 0.372 25104 5165 1 6 . 1 1 114 114 ILE CB C 114 40.466 40.466 39.289 1.177 25104 5166 1 6 . 1 1 114 114 ILE H H 114 9.156 9.156 8.929 0.227 25104 5167 1 6 . 1 1 115 115 CYS N N 115 125.524 125.524 127.850 -2.326 25104 5168 1 6 . 1 1 115 115 CYS HA H 115 4.808 4.808 4.364 0.444 25104 5169 1 6 . 1 1 115 115 CYS C C 115 177.658 177.658 176.557 1.101 25104 5170 1 6 . 1 1 115 115 CYS CA C 115 60.803 60.803 59.075 1.728 25104 5171 1 6 . 1 1 115 115 CYS CB C 115 28.723 28.723 25.638 3.085 25104 5172 1 6 . 1 1 115 115 CYS H H 115 9.616 9.616 9.084 0.532 25104 5173 1 6 . 1 1 116 116 THR N N 116 115.801 115.801 117.875 -2.074 25104 5174 1 6 . 1 1 116 116 THR HA H 116 4.380 4.380 4.150 0.230 25104 5175 1 6 . 1 1 116 116 THR C C 116 178.496 178.496 174.734 3.762 25104 5176 1 6 . 1 1 116 116 THR CA C 116 60.844 60.844 63.932 -3.088 25104 5177 1 6 . 1 1 116 116 THR CB C 116 66.730 66.730 69.269 -2.539 25104 5178 1 6 . 1 1 116 116 THR H H 116 8.990 8.990 8.177 0.813 25104 5179 1 6 . 1 1 117 117 ALA N N 117 122.356 122.356 123.798 -1.442 25104 5180 1 6 . 1 1 117 117 ALA HA H 117 4.420 4.420 4.605 -0.185 25104 5181 1 6 . 1 1 117 117 ALA C C 117 176.114 176.114 175.752 0.362 25104 5182 1 6 . 1 1 117 117 ALA CA C 117 50.668 50.668 50.347 0.321 25104 5183 1 6 . 1 1 117 117 ALA CB C 117 22.795 22.795 21.377 1.418 25104 5184 1 6 . 1 1 117 117 ALA H H 117 7.641 7.641 7.374 0.267 25104 5185 1 6 . 1 1 118 118 LYS N N 118 119.855 119.855 119.178 0.677 25104 5186 1 6 . 1 1 118 118 LYS HA H 118 3.840 3.840 4.328 -0.488 25104 5187 1 6 . 1 1 118 118 LYS C C 118 177.211 177.211 176.442 0.769 25104 5188 1 6 . 1 1 118 118 LYS CA C 118 57.913 57.913 56.294 1.619 25104 5189 1 6 . 1 1 118 118 LYS CB C 118 32.708 32.708 30.927 1.781 25104 5190 1 6 . 1 1 118 118 LYS H H 118 8.693 8.693 8.457 0.236 25104 5191 1 6 . 1 1 119 119 THR N N 119 119.004 119.004 117.183 1.821 25104 5192 1 6 . 1 1 119 119 THR HA H 119 3.730 3.730 3.714 0.016 25104 5193 1 6 . 1 1 119 119 THR C C 119 177.928 177.928 174.604 3.324 25104 5194 1 6 . 1 1 119 119 THR CA C 119 57.301 57.301 60.359 -3.058 25104 5195 1 6 . 1 1 119 119 THR CB C 119 68.717 68.717 67.910 0.807 25104 5196 1 6 . 1 1 119 119 THR H H 119 7.373 7.373 8.097 -0.724 25104 5197 1 6 . 1 1 120 120 GLU N N 120 124.713 124.713 123.707 1.006 25104 5198 1 6 . 1 1 120 120 GLU HA H 120 4.162 4.162 4.371 -0.209 25104 5199 1 6 . 1 1 120 120 GLU C C 120 178.190 178.190 177.761 0.429 25104 5200 1 6 . 1 1 120 120 GLU CA C 120 59.334 59.334 58.320 1.014 25104 5201 1 6 . 1 1 120 120 GLU CB C 120 29.322 29.322 29.480 -0.158 25104 5202 1 6 . 1 1 120 120 GLU H H 120 9.139 9.139 7.723 1.416 25104 5203 1 6 . 1 1 121 121 TRP N N 121 117.782 117.782 115.934 1.848 25104 5204 1 6 . 1 1 121 121 TRP HA H 121 4.716 4.716 4.547 0.169 25104 5205 1 6 . 1 1 121 121 TRP C C 121 177.244 177.244 176.217 1.027 25104 5206 1 6 . 1 1 121 121 TRP CA C 121 59.748 59.748 57.104 2.644 25104 5207 1 6 . 1 1 121 121 TRP CB C 121 26.947 26.947 28.486 -1.539 25104 5208 1 6 . 1 1 121 121 TRP H H 121 7.297 7.297 7.917 -0.620 25104 5209 1 6 . 1 1 122 122 LEU N N 122 119.806 119.806 119.538 0.268 25104 5210 1 6 . 1 1 122 122 LEU HA H 122 4.315 4.315 4.227 0.088 25104 5211 1 6 . 1 1 122 122 LEU C C 122 173.304 173.304 176.193 -2.889 25104 5212 1 6 . 1 1 122 122 LEU CA C 122 54.543 54.543 54.515 0.028 25104 5213 1 6 . 1 1 122 122 LEU CB C 122 39.075 39.075 40.755 -1.680 25104 5214 1 6 . 1 1 122 122 LEU H H 122 7.037 7.037 6.898 0.139 25104 5215 1 6 . 1 1 123 123 ASP N N 123 122.205 122.205 120.738 1.467 25104 5216 1 6 . 1 1 123 123 ASP HA H 123 5.222 5.222 4.830 0.392 25104 5217 1 6 . 1 1 123 123 ASP C C 123 179.276 179.276 177.277 1.999 25104 5218 1 6 . 1 1 123 123 ASP CA C 123 55.889 55.889 55.522 0.367 25104 5219 1 6 . 1 1 123 123 ASP CB C 123 39.517 39.517 40.755 -1.238 25104 5220 1 6 . 1 1 123 123 ASP H H 123 7.643 7.643 7.587 0.056 25104 5221 1 6 . 1 1 124 124 GLY N N 124 111.205 111.205 112.375 -1.170 25104 5222 1 6 . 1 1 124 124 GLY C C 124 173.148 173.148 174.414 -1.266 25104 5223 1 6 . 1 1 124 124 GLY CA C 124 45.114 45.114 44.749 0.365 25104 5224 1 6 . 1 1 124 124 GLY H H 124 9.550 9.550 8.611 0.939 25104 5225 1 6 . 1 1 125 125 LYS N N 125 115.408 115.408 120.672 -5.264 25104 5226 1 6 . 1 1 125 125 LYS HA H 125 4.173 4.173 4.514 -0.341 25104 5227 1 6 . 1 1 125 125 LYS C C 125 176.351 176.351 175.601 0.750 25104 5228 1 6 . 1 1 125 125 LYS CA C 125 56.341 56.341 55.421 0.920 25104 5229 1 6 . 1 1 125 125 LYS CB C 125 35.504 35.504 33.627 1.877 25104 5230 1 6 . 1 1 125 125 LYS H H 125 7.765 7.765 7.671 0.094 25104 5231 1 6 . 1 1 126 126 HIS N N 126 119.526 119.526 120.435 -0.909 25104 5232 1 6 . 1 1 126 126 HIS HA H 126 4.863 4.863 4.627 0.236 25104 5233 1 6 . 1 1 126 126 HIS C C 126 174.784 174.784 176.408 -1.624 25104 5234 1 6 . 1 1 126 126 HIS CA C 126 54.923 54.923 56.575 -1.651 25104 5235 1 6 . 1 1 126 126 HIS CB C 126 31.675 31.675 30.440 1.235 25104 5236 1 6 . 1 1 126 126 HIS H H 126 7.600 7.600 8.447 -0.847 25104 5237 1 6 . 1 1 127 127 VAL N N 127 125.009 125.009 125.442 -0.433 25104 5238 1 6 . 1 1 127 127 VAL HA H 127 4.307 4.307 3.736 0.571 25104 5239 1 6 . 1 1 127 127 VAL C C 127 176.442 176.442 175.277 1.165 25104 5240 1 6 . 1 1 127 127 VAL CA C 127 63.893 63.893 62.483 1.410 25104 5241 1 6 . 1 1 127 127 VAL CB C 127 33.553 33.553 32.577 0.977 25104 5242 1 6 . 1 1 127 127 VAL H H 127 8.523 8.523 8.082 0.441 25104 5243 1 6 . 1 1 128 128 VAL N N 128 133.065 133.065 125.454 7.611 25104 5244 1 6 . 1 1 128 128 VAL HA H 128 4.176 4.176 3.599 0.577 25104 5245 1 6 . 1 1 128 128 VAL C C 128 176.113 176.113 175.628 0.485 25104 5246 1 6 . 1 1 128 128 VAL CA C 128 63.172 63.172 64.402 -1.230 25104 5247 1 6 . 1 1 128 128 VAL CB C 128 31.612 31.612 31.750 -0.138 25104 5248 1 6 . 1 1 128 128 VAL H H 128 9.474 9.474 8.001 1.473 25104 5249 1 6 . 1 1 129 129 PHE N N 129 117.892 117.892 116.661 1.231 25104 5250 1 6 . 1 1 129 129 PHE HA H 129 5.308 5.308 4.934 0.374 25104 5251 1 6 . 1 1 129 129 PHE C C 129 173.725 173.725 174.177 -0.452 25104 5252 1 6 . 1 1 129 129 PHE CA C 129 55.969 55.969 57.177 -1.208 25104 5253 1 6 . 1 1 129 129 PHE CB C 129 42.581 42.581 41.276 1.305 25104 5254 1 6 . 1 1 129 129 PHE H H 129 8.138 8.138 7.956 0.182 25104 5255 1 6 . 1 1 130 130 GLY N N 130 110.747 110.747 106.531 4.216 25104 5256 1 6 . 1 1 130 130 GLY C C 130 171.591 171.591 171.824 -0.233 25104 5257 1 6 . 1 1 130 130 GLY CA C 130 46.505 46.505 43.521 2.984 25104 5258 1 6 . 1 1 130 130 GLY H H 130 7.356 7.356 7.445 -0.089 25104 5259 1 6 . 1 1 131 131 LYS N N 131 115.453 115.453 121.232 -5.779 25104 5260 1 6 . 1 1 131 131 LYS HA H 131 5.246 5.246 5.070 0.176 25104 5261 1 6 . 1 1 131 131 LYS C C 131 176.109 176.109 175.517 0.592 25104 5262 1 6 . 1 1 131 131 LYS CA C 131 54.887 54.887 55.241 -0.354 25104 5263 1 6 . 1 1 131 131 LYS CB C 131 36.077 36.077 36.807 -0.730 25104 5264 1 6 . 1 1 131 131 LYS H H 131 8.390 8.390 7.913 0.477 25104 5265 1 6 . 1 1 132 132 VAL N N 132 124.311 124.311 127.920 -3.609 25104 5266 1 6 . 1 1 132 132 VAL HA H 132 3.955 3.955 3.931 0.024 25104 5267 1 6 . 1 1 132 132 VAL C C 132 176.489 176.489 176.429 0.060 25104 5268 1 6 . 1 1 132 132 VAL CA C 132 64.284 64.284 63.513 0.771 25104 5269 1 6 . 1 1 132 132 VAL CB C 132 32.709 32.709 30.355 2.354 25104 5270 1 6 . 1 1 132 132 VAL H H 132 9.071 9.071 8.710 0.361 25104 5271 1 6 . 1 1 133 133 LYS N N 133 131.670 131.670 127.439 4.231 25104 5272 1 6 . 1 1 133 133 LYS HA H 133 4.483 4.483 4.285 0.198 25104 5273 1 6 . 1 1 133 133 LYS C C 133 176.283 176.283 176.935 -0.652 25104 5274 1 6 . 1 1 133 133 LYS CA C 133 56.978 56.978 57.314 -0.336 25104 5275 1 6 . 1 1 133 133 LYS CB C 133 34.028 34.028 33.083 0.945 25104 5276 1 6 . 1 1 133 133 LYS H H 133 9.494 9.494 8.181 1.313 25104 5277 1 6 . 1 1 134 134 GLU N N 134 118.417 118.417 119.751 -1.334 25104 5278 1 6 . 1 1 134 134 GLU HA H 134 4.639 4.639 4.509 0.130 25104 5279 1 6 . 1 1 134 134 GLU C C 134 175.925 175.925 176.625 -0.700 25104 5280 1 6 . 1 1 134 134 GLU CA C 134 55.235 55.235 55.196 0.039 25104 5281 1 6 . 1 1 134 134 GLU CB C 134 32.909 32.909 32.054 0.855 25104 5282 1 6 . 1 1 134 134 GLU H H 134 7.571 7.571 7.749 -0.178 25104 5283 1 6 . 1 1 135 135 GLY N N 135 108.109 108.109 110.904 -2.795 25104 5284 1 6 . 1 1 135 135 GLY C C 135 178.060 178.060 175.449 2.611 25104 5285 1 6 . 1 1 135 135 GLY CA C 135 46.195 46.195 45.822 0.373 25104 5286 1 6 . 1 1 135 135 GLY H H 135 8.695 8.695 8.784 -0.089 25104 5287 1 6 . 1 1 136 136 MET N N 136 122.582 122.582 119.093 3.489 25104 5288 1 6 . 1 1 136 136 MET HA H 136 4.496 4.496 4.091 0.405 25104 5289 1 6 . 1 1 136 136 MET C C 136 178.649 178.649 176.933 1.716 25104 5290 1 6 . 1 1 136 136 MET CA C 136 56.829 56.829 57.206 -0.377 25104 5291 1 6 . 1 1 136 136 MET CB C 136 30.215 30.215 32.401 -2.186 25104 5292 1 6 . 1 1 136 136 MET H H 136 8.854 8.854 8.447 0.407 25104 5293 1 6 . 1 1 137 137 ASN N N 137 114.457 114.457 116.505 -2.048 25104 5294 1 6 . 1 1 137 137 ASN HA H 137 4.504 4.504 4.659 -0.155 25104 5295 1 6 . 1 1 137 137 ASN C C 137 178.441 178.441 177.563 0.878 25104 5296 1 6 . 1 1 137 137 ASN CA C 137 55.819 55.819 56.473 -0.654 25104 5297 1 6 . 1 1 137 137 ASN CB C 137 36.016 36.016 37.919 -1.903 25104 5298 1 6 . 1 1 137 137 ASN H H 137 8.932 8.932 8.575 0.357 25104 5299 1 6 . 1 1 138 138 ILE N N 138 124.190 124.190 119.101 5.089 25104 5300 1 6 . 1 1 138 138 ILE HA H 138 3.800 3.800 3.886 -0.086 25104 5301 1 6 . 1 1 138 138 ILE C C 138 178.595 178.595 177.459 1.136 25104 5302 1 6 . 1 1 138 138 ILE CA C 138 61.581 61.581 62.623 -1.042 25104 5303 1 6 . 1 1 138 138 ILE CB C 138 34.468 34.468 36.791 -2.323 25104 5304 1 6 . 1 1 138 138 ILE H H 138 7.686 7.686 7.634 0.052 25104 5305 1 6 . 1 1 139 139 VAL N N 139 121.912 121.912 120.991 0.921 25104 5306 1 6 . 1 1 139 139 VAL HA H 139 3.879 3.879 3.543 0.336 25104 5307 1 6 . 1 1 139 139 VAL C C 139 179.051 179.051 178.319 0.732 25104 5308 1 6 . 1 1 139 139 VAL CA C 139 66.206 66.206 67.200 -0.994 25104 5309 1 6 . 1 1 139 139 VAL CB C 139 31.195 31.195 31.419 -0.224 25104 5310 1 6 . 1 1 139 139 VAL H H 139 7.286 7.286 7.815 -0.529 25104 5311 1 6 . 1 1 140 140 GLU N N 140 117.357 117.357 118.684 -1.327 25104 5312 1 6 . 1 1 140 140 GLU HA H 140 4.095 4.095 4.054 0.041 25104 5313 1 6 . 1 1 140 140 GLU C C 140 180.486 180.486 178.724 1.762 25104 5314 1 6 . 1 1 140 140 GLU CA C 140 59.336 59.336 58.966 0.370 25104 5315 1 6 . 1 1 140 140 GLU CB C 140 30.199 30.199 29.319 0.880 25104 5316 1 6 . 1 1 140 140 GLU H H 140 8.309 8.309 8.078 0.231 25104 5317 1 6 . 1 1 141 141 ALA N N 141 121.133 121.133 122.000 -0.867 25104 5318 1 6 . 1 1 141 141 ALA HA H 141 4.118 4.118 4.052 0.066 25104 5319 1 6 . 1 1 141 141 ALA C C 141 181.524 181.524 179.209 2.315 25104 5320 1 6 . 1 1 141 141 ALA CA C 141 54.771 54.771 54.851 -0.080 25104 5321 1 6 . 1 1 141 141 ALA CB C 141 18.207 18.207 18.664 -0.457 25104 5322 1 6 . 1 1 141 141 ALA H H 141 7.539 7.539 7.648 -0.109 25104 5323 1 6 . 1 1 142 142 MET N N 142 117.513 117.513 115.207 2.306 25104 5324 1 6 . 1 1 142 142 MET HA H 142 3.993 3.993 4.505 -0.512 25104 5325 1 6 . 1 1 142 142 MET C C 142 178.862 178.862 178.477 0.385 25104 5326 1 6 . 1 1 142 142 MET CA C 142 59.678 59.678 58.382 1.296 25104 5327 1 6 . 1 1 142 142 MET CB C 142 33.723 33.723 32.410 1.313 25104 5328 1 6 . 1 1 142 142 MET H H 142 8.284 8.284 8.111 0.173 25104 5329 1 6 . 1 1 143 143 GLU N N 143 116.365 116.365 120.585 -4.220 25104 5330 1 6 . 1 1 143 143 GLU HA H 143 3.772 3.772 4.042 -0.270 25104 5331 1 6 . 1 1 143 143 GLU C C 143 179.051 179.051 178.624 0.427 25104 5332 1 6 . 1 1 143 143 GLU CA C 143 59.345 59.345 59.248 0.097 25104 5333 1 6 . 1 1 143 143 GLU CB C 143 30.470 30.470 29.414 1.056 25104 5334 1 6 . 1 1 143 143 GLU H H 143 7.853 7.853 8.086 -0.233 25104 5335 1 6 . 1 1 144 144 ARG N N 144 114.753 114.753 117.283 -2.530 25104 5336 1 6 . 1 1 144 144 ARG HA H 144 3.978 3.978 4.050 -0.072 25104 5337 1 6 . 1 1 144 144 ARG C C 144 178.222 178.222 177.499 0.723 25104 5338 1 6 . 1 1 144 144 ARG CA C 144 57.669 57.669 57.840 -0.171 25104 5339 1 6 . 1 1 144 144 ARG CB C 144 29.523 29.523 30.031 -0.508 25104 5340 1 6 . 1 1 144 144 ARG H H 144 7.082 7.082 7.313 -0.231 25104 5341 1 6 . 1 1 145 145 PHE N N 145 115.388 115.388 116.540 -1.152 25104 5342 1 6 . 1 1 145 145 PHE HA H 145 4.851 4.851 4.520 0.331 25104 5343 1 6 . 1 1 145 145 PHE C C 145 176.868 176.868 175.404 1.464 25104 5344 1 6 . 1 1 145 145 PHE CA C 145 57.717 57.717 58.400 -0.683 25104 5345 1 6 . 1 1 145 145 PHE CB C 145 38.998 38.998 38.720 0.278 25104 5346 1 6 . 1 1 145 145 PHE H H 145 7.651 7.651 7.305 0.346 25104 5347 1 6 . 1 1 146 146 GLY N N 146 104.842 104.842 106.810 -1.968 25104 5348 1 6 . 1 1 146 146 GLY C C 146 172.946 172.946 173.591 -0.645 25104 5349 1 6 . 1 1 146 146 GLY CA C 146 44.065 44.065 44.489 -0.424 25104 5350 1 6 . 1 1 146 146 GLY H H 146 7.551 7.551 7.552 -0.001 25104 5351 1 6 . 1 1 147 147 SER N N 147 110.079 110.079 112.955 -2.876 25104 5352 1 6 . 1 1 147 147 SER HA H 147 4.813 4.813 4.836 -0.023 25104 5353 1 6 . 1 1 147 147 SER C C 147 176.384 176.384 174.697 1.687 25104 5354 1 6 . 1 1 147 147 SER CA C 147 58.165 58.165 56.970 1.195 25104 5355 1 6 . 1 1 147 147 SER CB C 147 65.804 65.804 66.883 -1.079 25104 5356 1 6 . 1 1 147 147 SER H H 147 8.229 8.229 8.057 0.172 25104 5357 1 6 . 1 1 148 148 ARG N N 148 120.299 120.299 121.045 -0.746 25104 5358 1 6 . 1 1 148 148 ARG HA H 148 4.221 4.221 4.068 0.153 25104 5359 1 6 . 1 1 148 148 ARG C C 148 177.709 177.709 177.005 0.704 25104 5360 1 6 . 1 1 148 148 ARG CA C 148 59.810 59.810 59.109 0.701 25104 5361 1 6 . 1 1 148 148 ARG CB C 148 29.896 29.896 29.894 0.002 25104 5362 1 6 . 1 1 148 148 ARG H H 148 8.850 8.850 8.616 0.234 25104 5363 1 6 . 1 1 149 149 ASN N N 149 111.689 111.689 113.385 -1.696 25104 5364 1 6 . 1 1 149 149 ASN HA H 149 4.901 4.901 4.630 0.271 25104 5365 1 6 . 1 1 149 149 ASN C C 149 177.708 177.708 175.783 1.925 25104 5366 1 6 . 1 1 149 149 ASN CA C 149 52.305 52.305 53.385 -1.079 25104 5367 1 6 . 1 1 149 149 ASN CB C 149 38.477 38.477 38.125 0.352 25104 5368 1 6 . 1 1 149 149 ASN H H 149 7.891 7.891 8.058 -0.167 25104 5369 1 6 . 1 1 150 150 GLY N N 150 110.138 110.138 107.107 3.031 25104 5370 1 6 . 1 1 150 150 GLY C C 150 174.368 174.368 173.597 0.771 25104 5371 1 6 . 1 1 150 150 GLY CA C 150 45.257 45.257 44.656 0.601 25104 5372 1 6 . 1 1 150 150 GLY H H 150 8.087 8.087 7.696 0.391 25104 5373 1 6 . 1 1 151 151 LYS N N 151 119.859 119.859 123.568 -3.709 25104 5374 1 6 . 1 1 151 151 LYS HA H 151 4.466 4.466 4.381 0.085 25104 5375 1 6 . 1 1 151 151 LYS C C 151 179.533 179.533 175.873 3.660 25104 5376 1 6 . 1 1 151 151 LYS CA C 151 57.088 57.088 56.593 0.495 25104 5377 1 6 . 1 1 151 151 LYS CB C 151 32.435 32.435 33.544 -1.109 25104 5378 1 6 . 1 1 151 151 LYS H H 151 7.534 7.534 7.873 -0.339 25104 5379 1 6 . 1 1 152 152 THR N N 152 116.442 116.442 119.495 -3.053 25104 5380 1 6 . 1 1 152 152 THR HA H 152 5.579 5.579 4.767 0.812 25104 5381 1 6 . 1 1 152 152 THR C C 152 176.969 176.969 175.507 1.462 25104 5382 1 6 . 1 1 152 152 THR CA C 152 60.097 60.097 61.585 -1.488 25104 5383 1 6 . 1 1 152 152 THR CB C 152 71.324 71.324 68.850 2.474 25104 5384 1 6 . 1 1 152 152 THR H H 152 8.837 8.837 8.440 0.397 25104 5385 1 6 . 1 1 153 153 SER N N 153 117.113 117.113 120.686 -3.573 25104 5386 1 6 . 1 1 153 153 SER HA H 153 4.574 4.574 4.346 0.228 25104 5387 1 6 . 1 1 153 153 SER C C 153 175.737 175.737 174.770 0.967 25104 5388 1 6 . 1 1 153 153 SER CA C 153 58.222 58.222 61.227 -3.005 25104 5389 1 6 . 1 1 153 153 SER CB C 153 63.922 63.922 63.461 0.461 25104 5390 1 6 . 1 1 153 153 SER H H 153 9.424 9.424 8.797 0.627 25104 5391 1 6 . 1 1 154 154 LYS N N 154 119.347 119.347 120.748 -1.401 25104 5392 1 6 . 1 1 154 154 LYS HA H 154 4.594 4.594 4.585 0.009 25104 5393 1 6 . 1 1 154 154 LYS C C 154 175.436 175.436 175.317 0.119 25104 5394 1 6 . 1 1 154 154 LYS CA C 154 54.578 54.578 54.013 0.565 25104 5395 1 6 . 1 1 154 154 LYS CB C 154 38.443 38.443 33.893 4.550 25104 5396 1 6 . 1 1 154 154 LYS H H 154 7.566 7.566 7.345 0.221 25104 5397 1 6 . 1 1 155 155 LYS N N 155 121.869 121.869 125.654 -3.785 25104 5398 1 6 . 1 1 155 155 LYS HA H 155 4.348 4.348 4.295 0.053 25104 5399 1 6 . 1 1 155 155 LYS C C 155 176.946 176.946 176.227 0.719 25104 5400 1 6 . 1 1 155 155 LYS CA C 155 56.325 56.325 55.739 0.586 25104 5401 1 6 . 1 1 155 155 LYS CB C 155 32.136 32.136 31.297 0.839 25104 5402 1 6 . 1 1 155 155 LYS H H 155 8.820 8.820 8.896 -0.076 25104 5403 1 6 . 1 1 156 156 ILE N N 156 134.145 134.145 128.924 5.221 25104 5404 1 6 . 1 1 156 156 ILE HA H 156 5.134 5.134 4.660 0.474 25104 5405 1 6 . 1 1 156 156 ILE C C 156 177.451 177.451 175.470 1.981 25104 5406 1 6 . 1 1 156 156 ILE CA C 156 59.538 59.538 60.889 -1.351 25104 5407 1 6 . 1 1 156 156 ILE CB C 156 37.167 37.167 37.965 -0.798 25104 5408 1 6 . 1 1 156 156 ILE H H 156 9.609 9.609 7.989 1.620 25104 5409 1 6 . 1 1 157 157 THR N N 157 117.447 117.447 119.198 -1.751 25104 5410 1 6 . 1 1 157 157 THR HA H 157 5.311 5.311 5.098 0.213 25104 5411 1 6 . 1 1 157 157 THR C C 157 174.572 174.572 174.177 0.395 25104 5412 1 6 . 1 1 157 157 THR CA C 157 59.679 59.679 59.380 0.299 25104 5413 1 6 . 1 1 157 157 THR CB C 157 72.708 72.708 71.501 1.206 25104 5414 1 6 . 1 1 157 157 THR H H 157 9.281 9.281 8.741 0.540 25104 5415 1 6 . 1 1 158 158 ILE N N 158 121.950 121.950 123.984 -2.034 25104 5416 1 6 . 1 1 158 158 ILE HA H 158 4.293 4.293 4.426 -0.133 25104 5417 1 6 . 1 1 158 158 ILE C C 158 175.631 175.631 176.721 -1.090 25104 5418 1 6 . 1 1 158 158 ILE CA C 158 60.992 60.992 61.633 -0.641 25104 5419 1 6 . 1 1 158 158 ILE CB C 158 36.826 36.826 36.644 0.182 25104 5420 1 6 . 1 1 158 158 ILE H H 158 8.624 8.624 8.206 0.418 25104 5421 1 6 . 1 1 159 159 ALA N N 159 132.727 132.727 131.482 1.245 25104 5422 1 6 . 1 1 159 159 ALA HA H 159 4.179 4.179 4.076 0.103 25104 5423 1 6 . 1 1 159 159 ALA C C 159 179.489 179.489 176.994 2.495 25104 5424 1 6 . 1 1 159 159 ALA CA C 159 54.243 54.243 54.478 -0.235 25104 5425 1 6 . 1 1 159 159 ALA CB C 159 18.804 18.804 19.271 -0.467 25104 5426 1 6 . 1 1 159 159 ALA H H 159 8.910 8.910 8.511 0.399 25104 5427 1 6 . 1 1 160 160 ASP N N 160 111.561 111.561 114.296 -2.735 25104 5428 1 6 . 1 1 160 160 ASP HA H 160 4.937 4.937 4.951 -0.014 25104 5429 1 6 . 1 1 160 160 ASP C C 160 173.920 173.920 174.471 -0.551 25104 5430 1 6 . 1 1 160 160 ASP CA C 160 52.873 52.873 53.436 -0.563 25104 5431 1 6 . 1 1 160 160 ASP CB C 160 43.620 43.620 43.515 0.105 25104 5432 1 6 . 1 1 160 160 ASP H H 160 8.107 8.107 7.827 0.280 25104 5433 1 6 . 1 1 161 161 CYS N N 161 116.145 116.145 116.691 -0.546 25104 5434 1 6 . 1 1 161 161 CYS HA H 161 4.626 4.626 5.551 -0.925 25104 5435 1 6 . 1 1 161 161 CYS C C 161 173.426 173.426 174.400 -0.974 25104 5436 1 6 . 1 1 161 161 CYS CA C 161 55.518 55.518 57.125 -1.607 25104 5437 1 6 . 1 1 161 161 CYS CB C 161 31.463 31.463 32.192 -0.729 25104 5438 1 6 . 1 1 161 161 CYS H H 161 8.640 8.640 8.711 -0.071 25104 5439 1 6 . 1 1 162 162 GLY N N 162 104.114 104.114 107.516 -3.402 25104 5440 1 6 . 1 1 162 162 GLY C C 162 171.116 171.116 173.818 -2.702 25104 5441 1 6 . 1 1 162 162 GLY CA C 162 45.436 45.436 44.846 0.590 25104 5442 1 6 . 1 1 162 162 GLY H H 162 6.889 6.889 8.403 -1.514 25104 5443 1 6 . 1 1 163 163 GLN N N 163 121.022 121.022 120.430 0.592 25104 5444 1 6 . 1 1 163 163 GLN HA H 163 5.150 5.150 4.177 0.973 25104 5445 1 6 . 1 1 163 163 GLN C C 163 176.548 176.548 175.043 1.505 25104 5446 1 6 . 1 1 163 163 GLN CA C 163 54.794 54.794 55.998 -1.204 25104 5447 1 6 . 1 1 163 163 GLN CB C 163 30.765 30.765 29.161 1.604 25104 5448 1 6 . 1 1 163 163 GLN H H 163 9.062 9.062 8.255 0.807 25104 5449 1 6 . 1 1 164 164 LEU N N 164 126.034 126.034 129.544 -3.510 25104 5450 1 6 . 1 1 164 164 LEU HA H 164 4.641 4.641 4.230 0.411 25104 5451 1 6 . 1 1 164 164 LEU C C 164 177.108 177.108 176.278 0.830 25104 5452 1 6 . 1 1 164 164 LEU CA C 164 55.036 55.036 54.441 0.595 25104 5453 1 6 . 1 1 164 164 LEU CB C 164 43.560 43.560 40.932 2.628 25104 5454 1 6 . 1 1 164 164 LEU H H 164 8.639 8.639 8.702 -0.063 25104 5455 1 7 . 1 1 2 2 VAL N N 2 111.261 111.261 121.508 -10.247 25104 5456 1 7 . 1 1 2 2 VAL HA H 2 4.126 4.126 4.347 -0.221 25104 5457 1 7 . 1 1 2 2 VAL C C 2 176.404 176.404 175.025 1.379 25104 5458 1 7 . 1 1 2 2 VAL CA C 2 61.417 61.417 63.359 -1.942 25104 5459 1 7 . 1 1 2 2 VAL CB C 2 33.763 33.763 32.684 1.079 25104 5460 1 7 . 1 1 2 2 VAL H H 2 8.447 8.447 8.367 0.080 25104 5461 1 7 . 1 1 3 3 ASN N N 3 126.056 126.056 121.307 4.749 25104 5462 1 7 . 1 1 3 3 ASN HA H 3 5.205 5.205 4.962 0.243 25104 5463 1 7 . 1 1 3 3 ASN CA C 3 50.987 50.987 51.638 -0.651 25104 5464 1 7 . 1 1 3 3 ASN CB C 3 38.031 38.031 38.767 -0.736 25104 5465 1 7 . 1 1 3 3 ASN H H 3 8.666 8.666 8.127 0.539 25104 5466 1 7 . 1 1 4 4 PRO HA H 4 4.818 4.818 4.415 0.403 25104 5467 1 7 . 1 1 4 4 PRO C C 4 176.242 176.242 176.341 -0.099 25104 5468 1 7 . 1 1 4 4 PRO CA C 4 62.832 62.832 63.004 -0.172 25104 5469 1 7 . 1 1 4 4 PRO CB C 4 33.162 33.162 32.030 1.132 25104 5470 1 7 . 1 1 5 5 THR N N 5 115.265 115.265 121.347 -6.082 25104 5471 1 7 . 1 1 5 5 THR HA H 5 5.759 5.759 4.935 0.824 25104 5472 1 7 . 1 1 5 5 THR C C 5 176.483 176.483 174.107 2.376 25104 5473 1 7 . 1 1 5 5 THR CA C 5 60.867 60.867 62.437 -1.570 25104 5474 1 7 . 1 1 5 5 THR CB C 5 71.050 71.050 69.617 1.433 25104 5475 1 7 . 1 1 5 5 THR H H 5 8.787 8.787 7.979 0.808 25104 5476 1 7 . 1 1 6 6 VAL N N 6 120.640 120.640 121.536 -0.896 25104 5477 1 7 . 1 1 6 6 VAL HA H 6 5.379 5.379 4.550 0.829 25104 5478 1 7 . 1 1 6 6 VAL C C 6 174.710 174.710 173.800 0.910 25104 5479 1 7 . 1 1 6 6 VAL CA C 6 58.881 58.881 60.199 -1.318 25104 5480 1 7 . 1 1 6 6 VAL CB C 6 36.180 36.180 33.506 2.674 25104 5481 1 7 . 1 1 6 6 VAL H H 6 8.805 8.805 8.246 0.559 25104 5482 1 7 . 1 1 7 7 PHE N N 7 119.359 119.359 127.525 -8.166 25104 5483 1 7 . 1 1 7 7 PHE HA H 7 5.948 5.948 4.627 1.321 25104 5484 1 7 . 1 1 7 7 PHE C C 7 173.634 173.634 173.327 0.307 25104 5485 1 7 . 1 1 7 7 PHE CA C 7 55.925 55.925 56.368 -0.443 25104 5486 1 7 . 1 1 7 7 PHE CB C 7 43.166 43.166 41.737 1.429 25104 5487 1 7 . 1 1 7 7 PHE H H 7 8.995 8.995 8.418 0.577 25104 5488 1 7 . 1 1 8 8 PHE N N 8 117.097 117.097 124.229 -7.132 25104 5489 1 7 . 1 1 8 8 PHE HA H 8 5.367 5.367 5.167 0.200 25104 5490 1 7 . 1 1 8 8 PHE C C 8 176.000 176.000 174.183 1.817 25104 5491 1 7 . 1 1 8 8 PHE CA C 8 53.460 53.460 55.154 -1.694 25104 5492 1 7 . 1 1 8 8 PHE CB C 8 42.791 42.791 43.450 -0.659 25104 5493 1 7 . 1 1 8 8 PHE H H 8 9.571 9.571 8.349 1.222 25104 5494 1 7 . 1 1 9 9 ASP N N 9 124.287 124.287 122.121 2.166 25104 5495 1 7 . 1 1 9 9 ASP HA H 9 5.585 5.585 5.060 0.525 25104 5496 1 7 . 1 1 9 9 ASP C C 9 176.286 176.286 174.788 1.498 25104 5497 1 7 . 1 1 9 9 ASP CA C 9 54.831 54.831 53.746 1.085 25104 5498 1 7 . 1 1 9 9 ASP CB C 9 41.366 41.366 43.440 -2.074 25104 5499 1 7 . 1 1 9 9 ASP H H 9 9.301 9.301 8.698 0.603 25104 5500 1 7 . 1 1 10 10 ILE N N 10 124.286 124.286 123.642 0.644 25104 5501 1 7 . 1 1 10 10 ILE HA H 10 5.213 5.213 4.334 0.879 25104 5502 1 7 . 1 1 10 10 ILE C C 10 177.031 177.031 174.592 2.439 25104 5503 1 7 . 1 1 10 10 ILE CA C 10 58.233 58.233 59.268 -1.035 25104 5504 1 7 . 1 1 10 10 ILE CB C 10 37.769 37.769 37.320 0.449 25104 5505 1 7 . 1 1 10 10 ILE H H 10 9.059 9.059 8.305 0.754 25104 5506 1 7 . 1 1 11 11 ALA N N 11 132.503 132.503 129.607 2.896 25104 5507 1 7 . 1 1 11 11 ALA HA H 11 5.216 5.216 5.158 0.058 25104 5508 1 7 . 1 1 11 11 ALA C C 11 175.928 175.928 175.336 0.592 25104 5509 1 7 . 1 1 11 11 ALA CA C 11 50.948 50.948 50.641 0.307 25104 5510 1 7 . 1 1 11 11 ALA CB C 11 22.804 22.804 22.602 0.202 25104 5511 1 7 . 1 1 11 11 ALA H H 11 9.642 9.642 8.576 1.066 25104 5512 1 7 . 1 1 12 12 VAL N N 12 118.551 118.551 117.486 1.065 25104 5513 1 7 . 1 1 12 12 VAL HA H 12 4.578 4.578 4.389 0.189 25104 5514 1 7 . 1 1 12 12 VAL C C 12 177.347 177.347 175.679 1.668 25104 5515 1 7 . 1 1 12 12 VAL CA C 12 60.457 60.457 60.604 -0.147 25104 5516 1 7 . 1 1 12 12 VAL CB C 12 33.301 33.301 31.751 1.550 25104 5517 1 7 . 1 1 12 12 VAL H H 12 8.984 8.984 8.437 0.547 25104 5518 1 7 . 1 1 13 13 ASP N N 13 131.009 131.009 126.109 4.900 25104 5519 1 7 . 1 1 13 13 ASP HA H 13 4.359 4.359 4.297 0.062 25104 5520 1 7 . 1 1 13 13 ASP C C 13 176.795 176.795 176.204 0.591 25104 5521 1 7 . 1 1 13 13 ASP CA C 13 55.880 55.880 55.782 0.098 25104 5522 1 7 . 1 1 13 13 ASP CB C 13 39.999 39.999 39.222 0.777 25104 5523 1 7 . 1 1 13 13 ASP H H 13 9.868 9.868 9.000 0.868 25104 5524 1 7 . 1 1 14 14 GLY N N 14 101.848 101.848 102.836 -0.988 25104 5525 1 7 . 1 1 14 14 GLY C C 14 174.700 174.700 174.313 0.387 25104 5526 1 7 . 1 1 14 14 GLY CA C 14 45.303 45.303 45.145 0.158 25104 5527 1 7 . 1 1 14 14 GLY H H 14 8.578 8.578 7.970 0.608 25104 5528 1 7 . 1 1 15 15 GLU N N 15 123.331 123.331 122.022 1.309 25104 5529 1 7 . 1 1 15 15 GLU HA H 15 4.891 4.891 4.674 0.217 25104 5530 1 7 . 1 1 15 15 GLU CA C 15 52.932 52.932 52.939 -0.007 25104 5531 1 7 . 1 1 15 15 GLU CB C 15 30.468 30.468 29.549 0.919 25104 5532 1 7 . 1 1 15 15 GLU H H 15 8.086 8.086 7.663 0.423 25104 5533 1 7 . 1 1 16 16 PRO HA H 16 4.240 4.240 4.296 -0.056 25104 5534 1 7 . 1 1 16 16 PRO C C 16 177.072 177.072 176.078 0.994 25104 5535 1 7 . 1 1 16 16 PRO CA C 16 64.838 64.838 63.625 1.213 25104 5536 1 7 . 1 1 16 16 PRO CB C 16 32.368 32.368 31.414 0.954 25104 5537 1 7 . 1 1 17 17 LEU N N 17 126.051 126.051 125.668 0.383 25104 5538 1 7 . 1 1 17 17 LEU HA H 17 4.739 4.739 4.440 0.299 25104 5539 1 7 . 1 1 17 17 LEU C C 17 176.975 176.975 176.546 0.429 25104 5540 1 7 . 1 1 17 17 LEU CA C 17 55.511 55.511 55.371 0.140 25104 5541 1 7 . 1 1 17 17 LEU CB C 17 44.257 44.257 43.263 0.994 25104 5542 1 7 . 1 1 17 17 LEU H H 17 9.237 9.237 8.255 0.982 25104 5543 1 7 . 1 1 18 18 GLY N N 18 102.496 102.496 105.018 -2.522 25104 5544 1 7 . 1 1 18 18 GLY C C 18 170.997 170.997 171.356 -0.359 25104 5545 1 7 . 1 1 18 18 GLY CA C 18 44.713 44.713 44.696 0.017 25104 5546 1 7 . 1 1 18 18 GLY H H 18 7.303 7.303 7.688 -0.385 25104 5547 1 7 . 1 1 19 19 ARG N N 19 121.330 121.330 119.029 2.301 25104 5548 1 7 . 1 1 19 19 ARG HA H 19 5.665 5.665 4.626 1.039 25104 5549 1 7 . 1 1 19 19 ARG C C 19 176.011 176.011 174.467 1.544 25104 5550 1 7 . 1 1 19 19 ARG CA C 19 55.106 55.106 54.857 0.249 25104 5551 1 7 . 1 1 19 19 ARG CB C 19 33.587 33.587 32.844 0.743 25104 5552 1 7 . 1 1 19 19 ARG H H 19 8.348 8.348 8.271 0.077 25104 5553 1 7 . 1 1 20 20 VAL N N 20 126.859 126.859 123.359 3.500 25104 5554 1 7 . 1 1 20 20 VAL HA H 20 4.650 4.650 4.695 -0.045 25104 5555 1 7 . 1 1 20 20 VAL C C 20 174.836 174.836 174.220 0.616 25104 5556 1 7 . 1 1 20 20 VAL CA C 20 59.966 59.966 61.259 -1.293 25104 5557 1 7 . 1 1 20 20 VAL CB C 20 35.034 35.034 34.874 0.160 25104 5558 1 7 . 1 1 20 20 VAL H H 20 9.400 9.400 8.320 1.080 25104 5559 1 7 . 1 1 21 21 SER N N 21 120.319 120.319 120.850 -0.531 25104 5560 1 7 . 1 1 21 21 SER HA H 21 5.565 5.565 5.278 0.287 25104 5561 1 7 . 1 1 21 21 SER C C 21 174.694 174.694 173.431 1.263 25104 5562 1 7 . 1 1 21 21 SER CA C 21 55.462 55.462 55.737 -0.275 25104 5563 1 7 . 1 1 21 21 SER CB C 21 66.546 66.546 65.222 1.323 25104 5564 1 7 . 1 1 21 21 SER H H 21 8.791 8.791 8.082 0.709 25104 5565 1 7 . 1 1 22 22 PHE N N 22 119.239 119.239 124.188 -4.949 25104 5566 1 7 . 1 1 22 22 PHE HA H 22 5.279 5.279 5.118 0.161 25104 5567 1 7 . 1 1 22 22 PHE C C 22 176.190 176.190 175.095 1.095 25104 5568 1 7 . 1 1 22 22 PHE CA C 22 55.882 55.882 56.313 -0.431 25104 5569 1 7 . 1 1 22 22 PHE CB C 22 42.673 42.673 42.772 -0.099 25104 5570 1 7 . 1 1 22 22 PHE H H 22 9.553 9.553 9.162 0.391 25104 5571 1 7 . 1 1 23 23 GLU N N 23 123.308 123.308 121.016 2.292 25104 5572 1 7 . 1 1 23 23 GLU HA H 23 4.797 4.797 4.558 0.239 25104 5573 1 7 . 1 1 23 23 GLU C C 23 175.673 175.673 175.114 0.559 25104 5574 1 7 . 1 1 23 23 GLU CA C 23 55.119 55.119 54.799 0.320 25104 5575 1 7 . 1 1 23 23 GLU CB C 23 32.058 32.058 31.462 0.596 25104 5576 1 7 . 1 1 23 23 GLU H H 23 8.791 8.791 8.668 0.123 25104 5577 1 7 . 1 1 24 24 LEU N N 24 122.539 122.539 126.887 -4.348 25104 5578 1 7 . 1 1 24 24 LEU HA H 24 4.749 4.749 4.731 0.018 25104 5579 1 7 . 1 1 24 24 LEU C C 24 178.229 178.229 177.100 1.129 25104 5580 1 7 . 1 1 24 24 LEU CA C 24 51.899 51.899 54.102 -2.203 25104 5581 1 7 . 1 1 24 24 LEU CB C 24 43.248 43.248 42.610 0.638 25104 5582 1 7 . 1 1 24 24 LEU H H 24 8.198 8.198 8.386 -0.188 25104 5583 1 7 . 1 1 25 25 PHE N N 25 124.715 124.715 123.307 1.408 25104 5584 1 7 . 1 1 25 25 PHE HA H 25 5.171 5.171 4.883 0.288 25104 5585 1 7 . 1 1 25 25 PHE C C 25 177.485 177.485 175.713 1.772 25104 5586 1 7 . 1 1 25 25 PHE CA C 25 54.699 54.699 57.078 -2.379 25104 5587 1 7 . 1 1 25 25 PHE CB C 25 36.100 36.100 36.743 -0.643 25104 5588 1 7 . 1 1 25 25 PHE H H 25 8.864 8.864 9.124 -0.260 25104 5589 1 7 . 1 1 26 26 ALA N N 26 128.663 128.663 126.019 2.644 25104 5590 1 7 . 1 1 26 26 ALA HA H 26 3.838 3.838 4.172 -0.334 25104 5591 1 7 . 1 1 26 26 ALA C C 26 177.291 177.291 177.961 -0.670 25104 5592 1 7 . 1 1 26 26 ALA CA C 26 54.316 54.316 54.486 -0.169 25104 5593 1 7 . 1 1 26 26 ALA CB C 26 19.002 19.002 18.644 0.358 25104 5594 1 7 . 1 1 26 26 ALA H H 26 8.480 8.480 7.852 0.628 25104 5595 1 7 . 1 1 27 27 ASP N N 27 114.191 114.191 116.449 -2.258 25104 5596 1 7 . 1 1 27 27 ASP HA H 27 4.197 4.197 4.499 -0.302 25104 5597 1 7 . 1 1 27 27 ASP C C 27 177.976 177.976 177.110 0.866 25104 5598 1 7 . 1 1 27 27 ASP CA C 27 55.410 55.410 55.565 -0.155 25104 5599 1 7 . 1 1 27 27 ASP CB C 27 38.821 38.821 40.452 -1.631 25104 5600 1 7 . 1 1 27 27 ASP H H 27 9.145 9.145 8.521 0.624 25104 5601 1 7 . 1 1 28 28 LYS N N 28 118.107 118.107 118.628 -0.521 25104 5602 1 7 . 1 1 28 28 LYS HA H 28 4.599 4.599 4.491 0.108 25104 5603 1 7 . 1 1 28 28 LYS C C 28 177.840 177.840 177.035 0.805 25104 5604 1 7 . 1 1 28 28 LYS CA C 28 56.262 56.262 57.338 -1.076 25104 5605 1 7 . 1 1 28 28 LYS CB C 28 36.006 36.006 35.149 0.857 25104 5606 1 7 . 1 1 28 28 LYS H H 28 7.569 7.569 7.642 -0.073 25104 5607 1 7 . 1 1 29 29 VAL N N 29 114.551 114.551 113.379 1.172 25104 5608 1 7 . 1 1 29 29 VAL HA H 29 4.487 4.487 4.778 -0.291 25104 5609 1 7 . 1 1 29 29 VAL CA C 29 58.309 58.309 58.958 -0.649 25104 5610 1 7 . 1 1 29 29 VAL CB C 29 32.078 32.078 32.770 -0.692 25104 5611 1 7 . 1 1 29 29 VAL H H 29 8.364 8.364 8.169 0.195 25104 5612 1 7 . 1 1 30 30 PRO HA H 30 4.450 4.450 4.387 0.063 25104 5613 1 7 . 1 1 30 30 PRO C C 30 181.892 181.892 178.340 3.552 25104 5614 1 7 . 1 1 30 30 PRO CA C 30 66.227 66.227 65.883 0.344 25104 5615 1 7 . 1 1 30 30 PRO CB C 30 31.547 31.547 31.956 -0.409 25104 5616 1 7 . 1 1 31 31 LYS N N 31 123.785 123.785 119.322 4.463 25104 5617 1 7 . 1 1 31 31 LYS HA H 31 4.105 4.105 4.128 -0.023 25104 5618 1 7 . 1 1 31 31 LYS C C 31 182.749 182.749 178.938 3.811 25104 5619 1 7 . 1 1 31 31 LYS CA C 31 61.057 61.057 59.824 1.233 25104 5620 1 7 . 1 1 31 31 LYS CB C 31 32.468 32.468 32.430 0.038 25104 5621 1 7 . 1 1 31 31 LYS H H 31 10.684 10.684 8.211 2.473 25104 5622 1 7 . 1 1 32 32 THR N N 32 124.002 124.002 115.685 8.317 25104 5623 1 7 . 1 1 32 32 THR HA H 32 4.034 4.034 4.203 -0.169 25104 5624 1 7 . 1 1 32 32 THR C C 32 178.673 178.673 176.060 2.613 25104 5625 1 7 . 1 1 32 32 THR CA C 32 67.526 67.526 66.323 1.202 25104 5626 1 7 . 1 1 32 32 THR CB C 32 68.705 68.705 68.893 -0.188 25104 5627 1 7 . 1 1 32 32 THR H H 32 10.320 10.320 8.226 2.094 25104 5628 1 7 . 1 1 33 33 ALA N N 33 125.616 125.616 123.607 2.009 25104 5629 1 7 . 1 1 33 33 ALA HA H 33 4.092 4.092 4.314 -0.222 25104 5630 1 7 . 1 1 33 33 ALA C C 33 179.174 179.174 178.968 0.206 25104 5631 1 7 . 1 1 33 33 ALA CA C 33 55.972 55.972 55.188 0.784 25104 5632 1 7 . 1 1 33 33 ALA CB C 33 18.414 18.414 18.194 0.220 25104 5633 1 7 . 1 1 33 33 ALA H H 33 9.311 9.311 7.897 1.414 25104 5634 1 7 . 1 1 34 34 GLU N N 34 117.376 117.376 118.939 -1.563 25104 5635 1 7 . 1 1 34 34 GLU HA H 34 4.556 4.556 3.930 0.626 25104 5636 1 7 . 1 1 34 34 GLU C C 34 178.418 178.418 178.554 -0.136 25104 5637 1 7 . 1 1 34 34 GLU CA C 34 58.238 58.238 59.513 -1.275 25104 5638 1 7 . 1 1 34 34 GLU CB C 34 28.181 28.181 29.596 -1.415 25104 5639 1 7 . 1 1 34 34 GLU H H 34 8.069 8.069 8.127 -0.058 25104 5640 1 7 . 1 1 35 35 ASN N N 35 115.722 115.722 118.463 -2.741 25104 5641 1 7 . 1 1 35 35 ASN HA H 35 4.108 4.108 4.211 -0.103 25104 5642 1 7 . 1 1 35 35 ASN C C 35 175.568 175.568 177.131 -1.563 25104 5643 1 7 . 1 1 35 35 ASN CA C 35 56.768 56.768 55.905 0.863 25104 5644 1 7 . 1 1 35 35 ASN CB C 35 39.644 39.644 38.015 1.629 25104 5645 1 7 . 1 1 35 35 ASN H H 35 7.193 7.193 7.709 -0.516 25104 5646 1 7 . 1 1 36 36 PHE N N 36 117.929 117.929 120.725 -2.796 25104 5647 1 7 . 1 1 36 36 PHE HA H 36 4.158 4.158 4.106 0.052 25104 5648 1 7 . 1 1 36 36 PHE C C 36 179.707 179.707 177.687 2.020 25104 5649 1 7 . 1 1 36 36 PHE CA C 36 61.589 61.589 61.353 0.236 25104 5650 1 7 . 1 1 36 36 PHE CB C 36 39.948 39.948 39.099 0.849 25104 5651 1 7 . 1 1 36 36 PHE H H 36 7.065 7.065 7.350 -0.285 25104 5652 1 7 . 1 1 37 37 ARG N N 37 121.048 121.048 120.664 0.384 25104 5653 1 7 . 1 1 37 37 ARG HA H 37 3.685 3.685 4.068 -0.383 25104 5654 1 7 . 1 1 37 37 ARG C C 37 179.000 179.000 178.208 0.792 25104 5655 1 7 . 1 1 37 37 ARG CA C 37 60.515 60.515 59.611 0.904 25104 5656 1 7 . 1 1 37 37 ARG CB C 37 29.880 29.880 30.278 -0.398 25104 5657 1 7 . 1 1 37 37 ARG H H 37 8.975 8.975 8.097 0.878 25104 5658 1 7 . 1 1 38 38 ALA N N 38 119.232 119.232 121.742 -2.510 25104 5659 1 7 . 1 1 38 38 ALA HA H 38 4.126 4.126 4.111 0.015 25104 5660 1 7 . 1 1 38 38 ALA C C 38 183.365 183.365 179.982 3.383 25104 5661 1 7 . 1 1 38 38 ALA CA C 38 54.477 54.477 54.696 -0.219 25104 5662 1 7 . 1 1 38 38 ALA CB C 38 18.405 18.405 18.342 0.063 25104 5663 1 7 . 1 1 38 38 ALA H H 38 8.741 8.741 7.895 0.846 25104 5664 1 7 . 1 1 39 39 LEU N N 39 120.723 120.723 118.384 2.339 25104 5665 1 7 . 1 1 39 39 LEU HA H 39 3.800 3.800 3.968 -0.168 25104 5666 1 7 . 1 1 39 39 LEU C C 39 180.481 180.481 179.246 1.235 25104 5667 1 7 . 1 1 39 39 LEU CA C 39 57.268 57.268 58.109 -0.841 25104 5668 1 7 . 1 1 39 39 LEU CB C 39 41.218 41.218 41.740 -0.522 25104 5669 1 7 . 1 1 39 39 LEU H H 39 8.212 8.212 8.136 0.076 25104 5670 1 7 . 1 1 40 40 SER N N 40 119.210 119.210 114.072 5.138 25104 5671 1 7 . 1 1 40 40 SER HA H 40 4.341 4.341 4.354 -0.013 25104 5672 1 7 . 1 1 40 40 SER C C 40 175.380 175.380 176.418 -1.038 25104 5673 1 7 . 1 1 40 40 SER CA C 40 62.924 62.924 61.315 1.609 25104 5674 1 7 . 1 1 40 40 SER CB C 40 62.992 62.992 63.426 -0.434 25104 5675 1 7 . 1 1 40 40 SER H H 40 7.938 7.938 7.808 0.130 25104 5676 1 7 . 1 1 41 41 THR N N 41 108.556 108.556 113.293 -4.737 25104 5677 1 7 . 1 1 41 41 THR HA H 41 4.508 4.508 4.300 0.208 25104 5678 1 7 . 1 1 41 41 THR C C 41 179.088 179.088 176.079 3.009 25104 5679 1 7 . 1 1 41 41 THR CA C 41 62.492 62.492 63.294 -0.802 25104 5680 1 7 . 1 1 41 41 THR CB C 41 69.663 69.663 69.321 0.342 25104 5681 1 7 . 1 1 41 41 THR H H 41 8.017 8.017 8.049 -0.032 25104 5682 1 7 . 1 1 42 42 GLY N N 42 108.433 108.433 109.923 -1.490 25104 5683 1 7 . 1 1 42 42 GLY C C 42 178.676 178.676 176.135 2.541 25104 5684 1 7 . 1 1 42 42 GLY CA C 42 45.840 45.840 45.311 0.529 25104 5685 1 7 . 1 1 42 42 GLY H H 42 7.621 7.621 7.813 -0.192 25104 5686 1 7 . 1 1 43 43 GLU N N 43 118.777 118.777 120.589 -1.812 25104 5687 1 7 . 1 1 43 43 GLU HA H 43 4.171 4.171 4.080 0.091 25104 5688 1 7 . 1 1 43 43 GLU C C 43 177.458 177.458 177.452 0.006 25104 5689 1 7 . 1 1 43 43 GLU CA C 43 58.580 58.580 58.071 0.509 25104 5690 1 7 . 1 1 43 43 GLU H H 43 8.049 8.049 8.200 -0.151 25104 5691 1 7 . 1 1 44 44 LYS N N 44 118.526 118.526 116.101 2.425 25104 5692 1 7 . 1 1 44 44 LYS HA H 44 4.342 4.342 4.347 -0.005 25104 5693 1 7 . 1 1 44 44 LYS C C 44 177.590 177.590 176.148 1.442 25104 5694 1 7 . 1 1 44 44 LYS CA C 44 54.405 54.405 54.141 0.264 25104 5695 1 7 . 1 1 44 44 LYS CB C 44 30.488 30.488 31.964 -1.476 25104 5696 1 7 . 1 1 44 44 LYS H H 44 9.123 9.123 7.282 1.841 25104 5697 1 7 . 1 1 45 45 GLY N N 45 105.553 105.553 107.630 -2.077 25104 5698 1 7 . 1 1 45 45 GLY C C 45 173.518 173.518 174.908 -1.390 25104 5699 1 7 . 1 1 45 45 GLY CA C 45 44.612 44.612 45.917 -1.305 25104 5700 1 7 . 1 1 45 45 GLY H H 45 7.970 7.970 7.527 0.443 25104 5701 1 7 . 1 1 46 46 PHE N N 46 113.753 113.753 120.019 -6.266 25104 5702 1 7 . 1 1 46 46 PHE HA H 46 4.678 4.678 4.242 0.436 25104 5703 1 7 . 1 1 46 46 PHE C C 46 173.684 173.684 176.572 -2.888 25104 5704 1 7 . 1 1 46 46 PHE CA C 46 54.077 54.077 56.976 -2.899 25104 5705 1 7 . 1 1 46 46 PHE CB C 46 39.658 39.658 38.645 1.013 25104 5706 1 7 . 1 1 46 46 PHE H H 46 6.469 6.469 7.427 -0.958 25104 5707 1 7 . 1 1 47 47 GLY N N 47 104.722 104.722 107.297 -2.575 25104 5708 1 7 . 1 1 47 47 GLY C C 47 172.446 172.446 174.555 -2.109 25104 5709 1 7 . 1 1 47 47 GLY CA C 47 45.601 45.601 45.494 0.107 25104 5710 1 7 . 1 1 47 47 GLY H H 47 7.756 7.756 7.907 -0.151 25104 5711 1 7 . 1 1 48 48 TYR N N 48 113.796 113.796 120.730 -6.934 25104 5712 1 7 . 1 1 48 48 TYR HA H 48 4.270 4.270 4.231 0.039 25104 5713 1 7 . 1 1 48 48 TYR C C 48 178.924 178.924 175.559 3.365 25104 5714 1 7 . 1 1 48 48 TYR CA C 48 57.365 57.365 58.513 -1.148 25104 5715 1 7 . 1 1 48 48 TYR CB C 48 38.832 38.832 36.870 1.962 25104 5716 1 7 . 1 1 48 48 TYR H H 48 6.948 6.948 8.047 -1.099 25104 5717 1 7 . 1 1 49 49 LYS N N 49 124.858 124.858 125.148 -0.290 25104 5718 1 7 . 1 1 49 49 LYS HA H 49 3.655 3.655 4.455 -0.800 25104 5719 1 7 . 1 1 49 49 LYS C C 49 178.388 178.388 176.992 1.396 25104 5720 1 7 . 1 1 49 49 LYS CA C 49 61.018 61.018 55.343 5.675 25104 5721 1 7 . 1 1 49 49 LYS CB C 49 31.484 31.484 34.088 -2.604 25104 5722 1 7 . 1 1 49 49 LYS H H 49 8.493 8.493 7.927 0.566 25104 5723 1 7 . 1 1 50 50 GLY N N 50 117.833 117.833 115.084 2.749 25104 5724 1 7 . 1 1 50 50 GLY C C 50 175.259 175.259 174.510 0.749 25104 5725 1 7 . 1 1 50 50 GLY CA C 50 45.495 45.495 45.025 0.470 25104 5726 1 7 . 1 1 50 50 GLY H H 50 9.509 9.509 8.249 1.260 25104 5727 1 7 . 1 1 51 51 SER N N 51 116.413 116.413 116.403 0.010 25104 5728 1 7 . 1 1 51 51 SER HA H 51 4.516 4.516 4.522 -0.007 25104 5729 1 7 . 1 1 51 51 SER C C 51 172.808 172.808 175.225 -2.417 25104 5730 1 7 . 1 1 51 51 SER CA C 51 59.043 59.043 58.456 0.587 25104 5731 1 7 . 1 1 51 51 SER CB C 51 63.781 63.781 63.976 -0.195 25104 5732 1 7 . 1 1 51 51 SER H H 51 8.436 8.436 8.031 0.405 25104 5733 1 7 . 1 1 52 52 CYS N N 52 115.156 115.156 126.651 -11.495 25104 5734 1 7 . 1 1 52 52 CYS HA H 52 5.932 5.932 5.264 0.668 25104 5735 1 7 . 1 1 52 52 CYS C C 52 177.437 177.437 174.511 2.926 25104 5736 1 7 . 1 1 52 52 CYS CA C 52 55.998 55.998 55.510 0.488 25104 5737 1 7 . 1 1 52 52 CYS CB C 52 31.953 31.953 27.762 4.191 25104 5738 1 7 . 1 1 52 52 CYS H H 52 9.875 9.875 8.207 1.668 25104 5739 1 7 . 1 1 53 53 PHE N N 53 123.068 123.068 125.496 -2.428 25104 5740 1 7 . 1 1 53 53 PHE HA H 53 4.899 4.899 4.398 0.501 25104 5741 1 7 . 1 1 53 53 PHE C C 53 175.886 175.886 175.701 0.185 25104 5742 1 7 . 1 1 53 53 PHE CA C 53 58.389 58.389 58.497 -0.108 25104 5743 1 7 . 1 1 53 53 PHE CB C 53 39.535 39.535 36.998 2.537 25104 5744 1 7 . 1 1 53 53 PHE H H 53 8.732 8.732 9.008 -0.276 25104 5745 1 7 . 1 1 54 54 HIS N N 54 120.227 120.227 118.270 1.957 25104 5746 1 7 . 1 1 54 54 HIS HA H 54 4.763 4.763 4.720 0.043 25104 5747 1 7 . 1 1 54 54 HIS C C 54 176.409 176.409 174.745 1.664 25104 5748 1 7 . 1 1 54 54 HIS CA C 54 57.323 57.323 55.529 1.794 25104 5749 1 7 . 1 1 54 54 HIS CB C 54 31.542 31.542 30.917 0.625 25104 5750 1 7 . 1 1 54 54 HIS H H 54 7.696 7.696 7.696 -0.000 25104 5751 1 7 . 1 1 55 55 ARG N N 55 123.202 123.202 121.025 2.177 25104 5752 1 7 . 1 1 55 55 ARG HA H 55 5.118 5.118 5.384 -0.266 25104 5753 1 7 . 1 1 55 55 ARG C C 55 174.511 174.511 173.599 0.912 25104 5754 1 7 . 1 1 55 55 ARG CA C 55 54.913 54.913 55.037 -0.124 25104 5755 1 7 . 1 1 55 55 ARG CB C 55 33.805 33.805 31.949 1.856 25104 5756 1 7 . 1 1 55 55 ARG H H 55 7.089 7.089 7.234 -0.145 25104 5757 1 7 . 1 1 56 56 ILE N N 56 126.621 126.621 126.512 0.109 25104 5758 1 7 . 1 1 56 56 ILE HA H 56 4.659 4.659 4.835 -0.176 25104 5759 1 7 . 1 1 56 56 ILE C C 56 174.633 174.633 174.050 0.583 25104 5760 1 7 . 1 1 56 56 ILE CA C 56 61.585 61.585 60.420 1.165 25104 5761 1 7 . 1 1 56 56 ILE CB C 56 41.452 41.452 41.847 -0.395 25104 5762 1 7 . 1 1 56 56 ILE H H 56 9.201 9.201 8.837 0.364 25104 5763 1 7 . 1 1 57 57 ILE N N 57 127.965 127.965 125.041 2.924 25104 5764 1 7 . 1 1 57 57 ILE HA H 57 5.248 5.248 5.146 0.102 25104 5765 1 7 . 1 1 57 57 ILE CA C 57 57.685 57.685 57.563 0.122 25104 5766 1 7 . 1 1 57 57 ILE CB C 57 40.236 40.236 41.486 -1.250 25104 5767 1 7 . 1 1 57 57 ILE H H 57 8.753 8.753 8.999 -0.246 25104 5768 1 7 . 1 1 58 58 PRO HA H 58 4.382 4.382 4.446 -0.064 25104 5769 1 7 . 1 1 58 58 PRO C C 58 178.669 178.669 178.297 0.372 25104 5770 1 7 . 1 1 58 58 PRO CA C 58 63.086 63.086 63.837 -0.751 25104 5771 1 7 . 1 1 58 58 PRO CB C 58 31.996 31.996 32.175 -0.179 25104 5772 1 7 . 1 1 59 59 GLY N N 59 114.176 114.176 108.585 5.591 25104 5773 1 7 . 1 1 59 59 GLY C C 59 173.281 173.281 173.854 -0.573 25104 5774 1 7 . 1 1 59 59 GLY CA C 59 45.259 45.259 46.480 -1.221 25104 5775 1 7 . 1 1 59 59 GLY H H 59 9.752 9.752 8.405 1.347 25104 5776 1 7 . 1 1 60 60 PHE N N 60 119.241 119.241 118.814 0.427 25104 5777 1 7 . 1 1 60 60 PHE HA H 60 5.153 5.153 4.828 0.325 25104 5778 1 7 . 1 1 60 60 PHE C C 60 174.401 174.401 173.253 1.148 25104 5779 1 7 . 1 1 60 60 PHE CA C 60 56.867 56.867 57.783 -0.916 25104 5780 1 7 . 1 1 60 60 PHE CB C 60 39.954 39.954 41.988 -2.034 25104 5781 1 7 . 1 1 60 60 PHE H H 60 8.196 8.196 7.510 0.686 25104 5782 1 7 . 1 1 61 61 MET N N 61 111.262 111.262 117.450 -6.188 25104 5783 1 7 . 1 1 61 61 MET HA H 61 5.369 5.369 5.041 0.328 25104 5784 1 7 . 1 1 61 61 MET C C 61 175.163 175.163 173.115 2.048 25104 5785 1 7 . 1 1 61 61 MET CA C 61 55.062 55.062 55.255 -0.193 25104 5786 1 7 . 1 1 61 61 MET CB C 61 35.010 35.010 36.316 -1.306 25104 5787 1 7 . 1 1 61 61 MET H H 61 8.128 8.128 8.396 -0.268 25104 5788 1 7 . 1 1 62 62 CYS N N 62 114.848 114.848 122.874 -8.026 25104 5789 1 7 . 1 1 62 62 CYS HA H 62 4.941 4.941 4.972 -0.031 25104 5790 1 7 . 1 1 62 62 CYS C C 62 174.075 174.075 173.442 0.633 25104 5791 1 7 . 1 1 62 62 CYS CA C 62 57.485 57.485 56.451 1.034 25104 5792 1 7 . 1 1 62 62 CYS CB C 62 30.392 30.392 28.717 1.675 25104 5793 1 7 . 1 1 62 62 CYS H H 62 8.501 8.501 8.977 -0.476 25104 5794 1 7 . 1 1 63 63 GLN N N 63 126.854 126.854 126.988 -0.134 25104 5795 1 7 . 1 1 63 63 GLN HA H 63 5.410 5.410 4.858 0.552 25104 5796 1 7 . 1 1 63 63 GLN C C 63 175.024 175.024 174.780 0.244 25104 5797 1 7 . 1 1 63 63 GLN CA C 63 54.691 54.691 54.262 0.429 25104 5798 1 7 . 1 1 63 63 GLN CB C 63 30.529 30.529 31.470 -0.941 25104 5799 1 7 . 1 1 63 63 GLN H H 63 9.671 9.671 8.875 0.796 25104 5800 1 7 . 1 1 64 64 GLY N N 64 110.745 110.745 112.047 -1.302 25104 5801 1 7 . 1 1 64 64 GLY C C 64 174.113 174.113 171.909 2.204 25104 5802 1 7 . 1 1 64 64 GLY CA C 64 44.788 44.788 42.546 2.242 25104 5803 1 7 . 1 1 64 64 GLY H H 64 7.401 7.401 7.908 -0.507 25104 5804 1 7 . 1 1 65 65 GLY N N 65 105.815 105.815 106.133 -0.318 25104 5805 1 7 . 1 1 65 65 GLY C C 65 176.175 176.175 172.034 4.141 25104 5806 1 7 . 1 1 65 65 GLY CA C 65 46.659 46.659 45.285 1.374 25104 5807 1 7 . 1 1 65 65 GLY H H 65 9.265 9.265 7.238 2.027 25104 5808 1 7 . 1 1 66 66 ASP N N 66 123.911 123.911 123.711 0.200 25104 5809 1 7 . 1 1 66 66 ASP HA H 66 4.337 4.337 4.688 -0.351 25104 5810 1 7 . 1 1 66 66 ASP C C 66 177.105 177.105 176.700 0.405 25104 5811 1 7 . 1 1 66 66 ASP CA C 66 51.592 51.592 53.080 -1.488 25104 5812 1 7 . 1 1 66 66 ASP CB C 66 38.926 38.926 43.377 -4.451 25104 5813 1 7 . 1 1 66 66 ASP H H 66 9.950 9.950 7.990 1.960 25104 5814 1 7 . 1 1 67 67 PHE N N 67 116.285 116.285 120.847 -4.562 25104 5815 1 7 . 1 1 67 67 PHE HA H 67 4.655 4.655 4.397 0.258 25104 5816 1 7 . 1 1 67 67 PHE C C 67 175.240 175.240 176.330 -1.090 25104 5817 1 7 . 1 1 67 67 PHE CA C 67 55.683 55.683 60.221 -4.538 25104 5818 1 7 . 1 1 67 67 PHE CB C 67 39.480 39.480 40.056 -0.576 25104 5819 1 7 . 1 1 67 67 PHE H H 67 6.660 6.660 8.889 -2.229 25104 5820 1 7 . 1 1 68 68 THR N N 68 109.280 109.280 118.578 -9.298 25104 5821 1 7 . 1 1 68 68 THR HA H 68 4.692 4.692 4.183 0.509 25104 5822 1 7 . 1 1 68 68 THR C C 68 176.514 176.514 174.399 2.115 25104 5823 1 7 . 1 1 68 68 THR CA C 68 61.962 61.962 64.819 -2.857 25104 5824 1 7 . 1 1 68 68 THR CB C 68 68.922 68.922 68.379 0.543 25104 5825 1 7 . 1 1 68 68 THR H H 68 7.400 7.400 8.028 -0.628 25104 5826 1 7 . 1 1 69 69 ARG N N 69 122.125 122.125 121.864 0.261 25104 5827 1 7 . 1 1 69 69 ARG HA H 69 4.421 4.421 3.725 0.696 25104 5828 1 7 . 1 1 69 69 ARG CA C 69 55.265 55.265 57.273 -2.008 25104 5829 1 7 . 1 1 69 69 ARG CB C 69 31.727 31.727 27.696 4.031 25104 5830 1 7 . 1 1 69 69 ARG H H 69 8.719 8.719 9.085 -0.366 25104 5831 1 7 . 1 1 70 70 HIS N N 70 111.574 111.574 116.784 -5.210 25104 5832 1 7 . 1 1 70 70 HIS HA H 70 4.451 4.451 4.206 0.245 25104 5833 1 7 . 1 1 70 70 HIS C C 70 175.306 175.306 175.516 -0.210 25104 5834 1 7 . 1 1 70 70 HIS CA C 70 57.193 57.193 57.750 -0.557 25104 5835 1 7 . 1 1 70 70 HIS CB C 70 28.587 28.587 28.885 -0.298 25104 5836 1 7 . 1 1 70 70 HIS H H 70 6.865 6.865 7.641 -0.776 25104 5837 1 7 . 1 1 71 71 ASN N N 71 112.710 112.710 118.836 -6.126 25104 5838 1 7 . 1 1 71 71 ASN HA H 71 4.673 4.673 4.327 0.346 25104 5839 1 7 . 1 1 71 71 ASN C C 71 176.752 176.752 175.993 0.759 25104 5840 1 7 . 1 1 71 71 ASN CA C 71 52.366 52.366 53.238 -0.872 25104 5841 1 7 . 1 1 71 71 ASN CB C 71 39.036 39.036 37.197 1.839 25104 5842 1 7 . 1 1 71 71 ASN H H 71 7.594 7.594 7.436 0.158 25104 5843 1 7 . 1 1 72 72 GLY N N 72 110.452 110.452 114.028 -3.576 25104 5844 1 7 . 1 1 72 72 GLY C C 72 176.669 176.669 174.418 2.251 25104 5845 1 7 . 1 1 72 72 GLY CA C 72 44.887 44.887 46.254 -1.367 25104 5846 1 7 . 1 1 72 72 GLY H H 72 9.642 9.642 8.320 1.322 25104 5847 1 7 . 1 1 73 73 THR N N 73 112.024 112.024 115.345 -3.321 25104 5848 1 7 . 1 1 73 73 THR HA H 73 4.541 4.541 4.410 0.131 25104 5849 1 7 . 1 1 73 73 THR C C 73 176.905 176.905 173.651 3.254 25104 5850 1 7 . 1 1 73 73 THR CA C 73 62.235 62.235 62.739 -0.504 25104 5851 1 7 . 1 1 73 73 THR CB C 73 70.677 70.677 70.825 -0.148 25104 5852 1 7 . 1 1 73 73 THR H H 73 7.967 7.967 7.587 0.380 25104 5853 1 7 . 1 1 74 74 GLY N N 74 113.872 113.872 110.463 3.409 25104 5854 1 7 . 1 1 74 74 GLY C C 74 176.149 176.149 174.353 1.796 25104 5855 1 7 . 1 1 74 74 GLY CA C 74 45.126 45.126 45.844 -0.718 25104 5856 1 7 . 1 1 74 74 GLY H H 74 8.711 8.711 7.913 0.798 25104 5857 1 7 . 1 1 75 75 GLY N N 75 109.032 109.032 106.122 2.910 25104 5858 1 7 . 1 1 75 75 GLY C C 75 173.012 173.012 173.709 -0.697 25104 5859 1 7 . 1 1 75 75 GLY CA C 75 43.371 43.371 44.148 -0.777 25104 5860 1 7 . 1 1 75 75 GLY H H 75 8.117 8.117 7.637 0.480 25104 5861 1 7 . 1 1 76 76 LYS N N 76 115.705 115.705 120.496 -4.791 25104 5862 1 7 . 1 1 76 76 LYS HA H 76 4.623 4.623 4.513 0.110 25104 5863 1 7 . 1 1 76 76 LYS C C 76 173.512 173.512 176.072 -2.560 25104 5864 1 7 . 1 1 76 76 LYS CA C 76 55.975 55.975 56.694 -0.719 25104 5865 1 7 . 1 1 76 76 LYS CB C 76 34.648 34.648 32.902 1.746 25104 5866 1 7 . 1 1 76 76 LYS H H 76 7.034 7.034 7.527 -0.493 25104 5867 1 7 . 1 1 77 77 SER N N 77 114.354 114.354 114.410 -0.056 25104 5868 1 7 . 1 1 77 77 SER HA H 77 5.240 5.240 4.631 0.609 25104 5869 1 7 . 1 1 77 77 SER C C 77 176.746 176.746 175.168 1.578 25104 5870 1 7 . 1 1 77 77 SER CA C 77 57.077 57.077 57.590 -0.513 25104 5871 1 7 . 1 1 77 77 SER CB C 77 69.863 69.863 66.244 3.619 25104 5872 1 7 . 1 1 77 77 SER H H 77 7.793 7.793 7.971 -0.178 25104 5873 1 7 . 1 1 78 78 ILE N N 78 111.394 111.394 113.878 -2.484 25104 5874 1 7 . 1 1 78 78 ILE HA H 78 4.208 4.208 4.169 0.039 25104 5875 1 7 . 1 1 78 78 ILE C C 78 176.973 176.973 175.730 1.243 25104 5876 1 7 . 1 1 78 78 ILE CA C 78 63.675 63.675 63.174 0.501 25104 5877 1 7 . 1 1 78 78 ILE CB C 78 37.434 37.434 37.981 -0.547 25104 5878 1 7 . 1 1 78 78 ILE H H 78 8.584 8.584 8.437 0.147 25104 5879 1 7 . 1 1 79 79 TYR N N 79 120.757 120.757 118.052 2.705 25104 5880 1 7 . 1 1 79 79 TYR HA H 79 4.718 4.718 4.490 0.228 25104 5881 1 7 . 1 1 79 79 TYR C C 79 176.316 176.316 176.331 -0.015 25104 5882 1 7 . 1 1 79 79 TYR CA C 79 56.216 56.216 58.832 -2.616 25104 5883 1 7 . 1 1 79 79 TYR CB C 79 38.891 38.891 39.149 -0.258 25104 5884 1 7 . 1 1 79 79 TYR H H 79 8.058 8.058 7.365 0.693 25104 5885 1 7 . 1 1 80 80 GLY N N 80 106.521 106.521 106.039 0.482 25104 5886 1 7 . 1 1 80 80 GLY CA C 80 46.021 46.021 45.515 0.506 25104 5887 1 7 . 1 1 80 80 GLY H H 80 7.152 7.152 7.720 -0.568 25104 5888 1 7 . 1 1 81 81 GLU N N 81 122.638 122.638 120.807 1.831 25104 5889 1 7 . 1 1 81 81 GLU HA H 81 4.008 4.008 4.141 -0.133 25104 5890 1 7 . 1 1 81 81 GLU C C 81 176.729 176.729 175.755 0.974 25104 5891 1 7 . 1 1 81 81 GLU CA C 81 60.602 60.602 59.078 1.524 25104 5892 1 7 . 1 1 81 81 GLU CB C 81 29.927 29.927 29.888 0.039 25104 5893 1 7 . 1 1 81 81 GLU H H 81 8.884 8.884 8.696 0.188 25104 5894 1 7 . 1 1 82 82 LYS N N 82 112.369 112.369 113.196 -0.827 25104 5895 1 7 . 1 1 82 82 LYS HA H 82 5.577 5.577 4.702 0.875 25104 5896 1 7 . 1 1 82 82 LYS C C 82 176.495 176.495 174.864 1.631 25104 5897 1 7 . 1 1 82 82 LYS CA C 82 53.906 53.906 55.249 -1.343 25104 5898 1 7 . 1 1 82 82 LYS CB C 82 36.614 36.614 35.621 0.993 25104 5899 1 7 . 1 1 82 82 LYS H H 82 7.845 7.845 7.489 0.356 25104 5900 1 7 . 1 1 83 83 PHE N N 83 116.638 116.638 116.391 0.247 25104 5901 1 7 . 1 1 83 83 PHE HA H 83 5.000 5.000 5.111 -0.111 25104 5902 1 7 . 1 1 83 83 PHE C C 83 174.501 174.501 173.757 0.744 25104 5903 1 7 . 1 1 83 83 PHE CA C 83 56.032 56.032 55.735 0.297 25104 5904 1 7 . 1 1 83 83 PHE CB C 83 41.258 41.258 41.490 -0.233 25104 5905 1 7 . 1 1 83 83 PHE H H 83 9.184 9.184 8.993 0.191 25104 5906 1 7 . 1 1 84 84 GLU N N 84 119.642 119.642 118.555 1.087 25104 5907 1 7 . 1 1 84 84 GLU HA H 84 3.862 3.862 4.225 -0.363 25104 5908 1 7 . 1 1 84 84 GLU C C 84 177.248 177.248 175.097 2.151 25104 5909 1 7 . 1 1 84 84 GLU CA C 84 56.452 56.452 55.011 1.441 25104 5910 1 7 . 1 1 84 84 GLU CB C 84 29.329 29.329 30.838 -1.510 25104 5911 1 7 . 1 1 84 84 GLU H H 84 9.294 9.294 8.405 0.889 25104 5912 1 7 . 1 1 85 85 ASP N N 85 118.870 118.870 119.152 -0.282 25104 5913 1 7 . 1 1 85 85 ASP HA H 85 4.285 4.285 4.543 -0.258 25104 5914 1 7 . 1 1 85 85 ASP C C 85 177.100 177.100 175.898 1.202 25104 5915 1 7 . 1 1 85 85 ASP CA C 85 54.486 54.486 53.695 0.791 25104 5916 1 7 . 1 1 85 85 ASP CB C 85 40.954 40.954 41.424 -0.470 25104 5917 1 7 . 1 1 85 85 ASP H H 85 8.609 8.609 8.267 0.342 25104 5918 1 7 . 1 1 86 86 GLU N N 86 131.636 131.636 123.323 8.313 25104 5919 1 7 . 1 1 86 86 GLU HA H 86 3.851 3.851 4.088 -0.237 25104 5920 1 7 . 1 1 86 86 GLU C C 86 177.266 177.266 175.389 1.877 25104 5921 1 7 . 1 1 86 86 GLU CA C 86 60.354 60.354 58.462 1.892 25104 5922 1 7 . 1 1 86 86 GLU CB C 86 31.877 31.877 30.376 1.501 25104 5923 1 7 . 1 1 86 86 GLU H H 86 9.474 9.474 8.941 0.533 25104 5924 1 7 . 1 1 87 87 ASN N N 87 106.916 106.916 112.546 -5.630 25104 5925 1 7 . 1 1 87 87 ASN HA H 87 4.187 4.187 4.424 -0.237 25104 5926 1 7 . 1 1 87 87 ASN C C 87 171.751 171.751 173.086 -1.335 25104 5927 1 7 . 1 1 87 87 ASN CA C 87 52.828 52.828 52.391 0.437 25104 5928 1 7 . 1 1 87 87 ASN CB C 87 39.490 39.490 39.082 0.408 25104 5929 1 7 . 1 1 87 87 ASN H H 87 7.084 7.084 7.548 -0.464 25104 5930 1 7 . 1 1 88 88 PHE N N 88 113.116 113.116 114.980 -1.864 25104 5931 1 7 . 1 1 88 88 PHE HA H 88 5.964 5.964 4.929 1.035 25104 5932 1 7 . 1 1 88 88 PHE C C 88 178.688 178.688 174.878 3.810 25104 5933 1 7 . 1 1 88 88 PHE CA C 88 55.847 55.847 56.786 -0.939 25104 5934 1 7 . 1 1 88 88 PHE CB C 88 38.876 38.876 39.297 -0.421 25104 5935 1 7 . 1 1 88 88 PHE H H 88 8.356 8.356 8.321 0.035 25104 5936 1 7 . 1 1 89 89 ILE N N 89 119.794 119.794 119.665 0.129 25104 5937 1 7 . 1 1 89 89 ILE HA H 89 3.726 3.726 3.907 -0.181 25104 5938 1 7 . 1 1 89 89 ILE C C 89 178.596 178.596 176.311 2.285 25104 5939 1 7 . 1 1 89 89 ILE CA C 89 64.996 64.996 64.291 0.705 25104 5940 1 7 . 1 1 89 89 ILE CB C 89 39.000 39.000 38.377 0.623 25104 5941 1 7 . 1 1 89 89 ILE H H 89 8.314 8.314 7.757 0.557 25104 5942 1 7 . 1 1 90 90 LEU N N 90 117.361 117.361 118.762 -1.401 25104 5943 1 7 . 1 1 90 90 LEU HA H 90 4.516 4.516 4.299 0.217 25104 5944 1 7 . 1 1 90 90 LEU C C 90 177.345 177.345 175.839 1.506 25104 5945 1 7 . 1 1 90 90 LEU CA C 90 54.196 54.196 54.407 -0.211 25104 5946 1 7 . 1 1 90 90 LEU CB C 90 42.100 42.100 42.236 -0.137 25104 5947 1 7 . 1 1 90 90 LEU H H 90 7.777 7.777 8.114 -0.337 25104 5948 1 7 . 1 1 91 91 LYS N N 91 119.096 119.096 122.049 -2.953 25104 5949 1 7 . 1 1 91 91 LYS HA H 91 4.635 4.635 4.331 0.304 25104 5950 1 7 . 1 1 91 91 LYS C C 91 177.296 177.296 176.161 1.135 25104 5951 1 7 . 1 1 91 91 LYS CA C 91 54.689 54.689 55.520 -0.831 25104 5952 1 7 . 1 1 91 91 LYS CB C 91 34.841 34.841 35.187 -0.346 25104 5953 1 7 . 1 1 91 91 LYS H H 91 8.086 8.086 8.226 -0.140 25104 5954 1 7 . 1 1 92 92 HIS N N 92 122.578 122.578 118.657 3.921 25104 5955 1 7 . 1 1 92 92 HIS HA H 92 4.408 4.408 4.620 -0.212 25104 5956 1 7 . 1 1 92 92 HIS C C 92 178.794 178.794 175.429 3.365 25104 5957 1 7 . 1 1 92 92 HIS CA C 92 56.886 56.886 56.134 0.752 25104 5958 1 7 . 1 1 92 92 HIS CB C 92 26.041 26.041 28.721 -2.680 25104 5959 1 7 . 1 1 92 92 HIS H H 92 10.736 10.736 8.861 1.875 25104 5960 1 7 . 1 1 93 93 THR N N 93 110.479 110.479 114.669 -4.190 25104 5961 1 7 . 1 1 93 93 THR HA H 93 4.056 4.056 4.268 -0.212 25104 5962 1 7 . 1 1 93 93 THR C C 93 176.456 176.456 174.222 2.234 25104 5963 1 7 . 1 1 93 93 THR CA C 93 63.324 63.324 61.866 1.458 25104 5964 1 7 . 1 1 93 93 THR CB C 93 69.416 69.416 67.672 1.744 25104 5965 1 7 . 1 1 93 93 THR H H 93 7.315 7.315 7.309 0.006 25104 5966 1 7 . 1 1 94 94 GLY N N 94 107.272 107.272 108.637 -1.365 25104 5967 1 7 . 1 1 94 94 GLY C C 94 178.117 178.117 171.866 6.251 25104 5968 1 7 . 1 1 94 94 GLY H H 94 7.530 7.530 7.131 0.399 25104 5969 1 7 . 1 1 95 95 PRO HA H 95 3.856 3.856 4.355 -0.499 25104 5970 1 7 . 1 1 95 95 PRO CA C 95 62.687 62.687 62.636 0.051 25104 5971 1 7 . 1 1 95 95 PRO CB C 95 32.137 32.137 32.445 -0.308 25104 5972 1 7 . 1 1 96 96 GLY N N 96 110.210 110.210 111.865 -1.655 25104 5973 1 7 . 1 1 96 96 GLY C C 96 174.025 174.025 174.881 -0.856 25104 5974 1 7 . 1 1 96 96 GLY CA C 96 45.068 45.068 45.314 -0.246 25104 5975 1 7 . 1 1 96 96 GLY H H 96 9.305 9.305 8.682 0.623 25104 5976 1 7 . 1 1 97 97 ILE N N 97 121.517 121.517 121.567 -0.050 25104 5977 1 7 . 1 1 97 97 ILE HA H 97 4.173 4.173 4.039 0.134 25104 5978 1 7 . 1 1 97 97 ILE C C 97 174.196 174.196 174.395 -0.199 25104 5979 1 7 . 1 1 97 97 ILE CA C 97 59.398 59.398 60.721 -1.323 25104 5980 1 7 . 1 1 97 97 ILE CB C 97 37.922 37.922 36.657 1.265 25104 5981 1 7 . 1 1 97 97 ILE H H 97 6.826 6.826 7.662 -0.836 25104 5982 1 7 . 1 1 98 98 LEU N N 98 128.948 128.948 130.790 -1.842 25104 5983 1 7 . 1 1 98 98 LEU HA H 98 5.010 5.010 4.912 0.098 25104 5984 1 7 . 1 1 98 98 LEU C C 98 175.316 175.316 174.671 0.645 25104 5985 1 7 . 1 1 98 98 LEU CA C 98 53.350 53.350 53.157 0.192 25104 5986 1 7 . 1 1 98 98 LEU CB C 98 43.813 43.813 44.027 -0.214 25104 5987 1 7 . 1 1 98 98 LEU H H 98 7.907 7.907 8.363 -0.456 25104 5988 1 7 . 1 1 99 99 SER N N 99 118.834 118.834 121.306 -2.472 25104 5989 1 7 . 1 1 99 99 SER HA H 99 5.346 5.346 5.046 0.300 25104 5990 1 7 . 1 1 99 99 SER C C 99 175.732 175.732 172.994 2.738 25104 5991 1 7 . 1 1 99 99 SER CA C 99 55.011 55.011 56.816 -1.806 25104 5992 1 7 . 1 1 99 99 SER CB C 99 65.370 65.370 66.612 -1.242 25104 5993 1 7 . 1 1 99 99 SER H H 99 8.307 8.307 8.536 -0.229 25104 5994 1 7 . 1 1 100 100 MET N N 100 123.079 123.079 123.004 0.075 25104 5995 1 7 . 1 1 100 100 MET HA H 100 5.338 5.338 4.658 0.680 25104 5996 1 7 . 1 1 100 100 MET C C 100 178.920 178.920 175.892 3.028 25104 5997 1 7 . 1 1 100 100 MET CA C 100 53.853 53.853 55.876 -2.023 25104 5998 1 7 . 1 1 100 100 MET H H 100 8.563 8.563 9.004 -0.441 25104 5999 1 7 . 1 1 101 101 ALA N N 101 126.225 126.225 125.727 0.498 25104 6000 1 7 . 1 1 101 101 ALA HA H 101 4.362 4.362 4.767 -0.405 25104 6001 1 7 . 1 1 101 101 ALA C C 101 176.471 176.471 175.625 0.846 25104 6002 1 7 . 1 1 101 101 ALA CA C 101 51.743 51.743 52.686 -0.943 25104 6003 1 7 . 1 1 101 101 ALA CB C 101 19.619 19.619 20.723 -1.104 25104 6004 1 7 . 1 1 101 101 ALA H H 101 8.114 8.114 8.259 -0.145 25104 6005 1 7 . 1 1 102 102 ASN N N 102 113.398 113.398 115.433 -2.035 25104 6006 1 7 . 1 1 102 102 ASN HA H 102 4.647 4.647 4.876 -0.229 25104 6007 1 7 . 1 1 102 102 ASN C C 102 174.740 174.740 173.880 0.860 25104 6008 1 7 . 1 1 102 102 ASN CA C 102 54.102 54.102 52.682 1.420 25104 6009 1 7 . 1 1 102 102 ASN CB C 102 40.597 40.597 39.461 1.136 25104 6010 1 7 . 1 1 102 102 ASN H H 102 8.062 8.062 8.002 0.060 25104 6011 1 7 . 1 1 103 103 ALA N N 103 123.487 123.487 121.653 1.834 25104 6012 1 7 . 1 1 103 103 ALA HA H 103 4.868 4.868 4.562 0.306 25104 6013 1 7 . 1 1 103 103 ALA C C 103 177.823 177.823 176.191 1.632 25104 6014 1 7 . 1 1 103 103 ALA CA C 103 50.380 50.380 51.852 -1.472 25104 6015 1 7 . 1 1 103 103 ALA CB C 103 19.295 19.295 19.753 -0.458 25104 6016 1 7 . 1 1 103 103 ALA H H 103 8.822 8.822 8.662 0.160 25104 6017 1 7 . 1 1 104 104 GLY N N 104 109.271 109.271 107.379 1.892 25104 6018 1 7 . 1 1 104 104 GLY CA C 104 43.559 43.559 45.115 -1.556 25104 6019 1 7 . 1 1 104 104 GLY H H 104 8.181 8.181 7.712 0.469 25104 6020 1 7 . 1 1 105 105 PRO HA H 105 4.385 4.385 4.564 -0.179 25104 6021 1 7 . 1 1 105 105 PRO C C 105 177.209 177.209 177.181 0.028 25104 6022 1 7 . 1 1 105 105 PRO CA C 105 63.976 63.976 63.005 0.971 25104 6023 1 7 . 1 1 105 105 PRO CB C 105 32.136 32.136 32.000 0.136 25104 6024 1 7 . 1 1 106 106 ASN N N 106 119.146 119.146 117.311 1.835 25104 6025 1 7 . 1 1 106 106 ASN HA H 106 4.052 4.052 4.512 -0.460 25104 6026 1 7 . 1 1 106 106 ASN C C 106 175.857 175.857 174.758 1.099 25104 6027 1 7 . 1 1 106 106 ASN CA C 106 54.279 54.279 54.817 -0.538 25104 6028 1 7 . 1 1 106 106 ASN CB C 106 37.248 37.248 38.127 -0.879 25104 6029 1 7 . 1 1 106 106 ASN H H 106 8.912 8.912 9.059 -0.147 25104 6030 1 7 . 1 1 107 107 THR N N 107 110.101 110.101 111.584 -1.483 25104 6031 1 7 . 1 1 107 107 THR HA H 107 4.493 4.493 4.353 0.140 25104 6032 1 7 . 1 1 107 107 THR C C 107 174.713 174.713 173.515 1.198 25104 6033 1 7 . 1 1 107 107 THR CA C 107 60.294 60.294 62.425 -2.131 25104 6034 1 7 . 1 1 107 107 THR CB C 107 69.030 69.030 69.656 -0.626 25104 6035 1 7 . 1 1 107 107 THR H H 107 10.191 10.191 7.580 2.611 25104 6036 1 7 . 1 1 108 108 ASN N N 108 120.592 120.592 120.102 0.490 25104 6037 1 7 . 1 1 108 108 ASN HA H 108 4.210 4.210 4.183 0.027 25104 6038 1 7 . 1 1 108 108 ASN C C 108 175.078 175.078 175.569 -0.491 25104 6039 1 7 . 1 1 108 108 ASN CA C 108 55.287 55.287 53.430 1.857 25104 6040 1 7 . 1 1 108 108 ASN CB C 108 39.036 39.036 38.714 0.322 25104 6041 1 7 . 1 1 108 108 ASN H H 108 7.410 7.410 7.314 0.096 25104 6042 1 7 . 1 1 109 109 GLY N N 109 110.835 110.835 110.724 0.111 25104 6043 1 7 . 1 1 109 109 GLY C C 109 172.087 172.087 173.708 -1.621 25104 6044 1 7 . 1 1 109 109 GLY CA C 109 45.940 45.940 45.307 0.633 25104 6045 1 7 . 1 1 109 109 GLY H H 109 9.192 9.192 8.089 1.103 25104 6046 1 7 . 1 1 110 110 SER N N 110 117.149 117.149 116.306 0.843 25104 6047 1 7 . 1 1 110 110 SER HA H 110 4.751 4.751 4.933 -0.182 25104 6048 1 7 . 1 1 110 110 SER C C 110 177.075 177.075 174.389 2.686 25104 6049 1 7 . 1 1 110 110 SER CA C 110 57.526 57.526 56.868 0.658 25104 6050 1 7 . 1 1 110 110 SER CB C 110 66.180 66.180 65.171 1.010 25104 6051 1 7 . 1 1 110 110 SER H H 110 8.793 8.793 7.607 1.186 25104 6052 1 7 . 1 1 111 111 GLN N N 111 124.594 124.594 119.933 4.661 25104 6053 1 7 . 1 1 111 111 GLN HA H 111 4.225 4.225 4.124 0.101 25104 6054 1 7 . 1 1 111 111 GLN C C 111 179.174 179.174 175.313 3.861 25104 6055 1 7 . 1 1 111 111 GLN CA C 111 58.144 58.144 57.660 0.484 25104 6056 1 7 . 1 1 111 111 GLN CB C 111 31.558 31.558 28.638 2.920 25104 6057 1 7 . 1 1 111 111 GLN H H 111 8.438 8.438 8.530 -0.092 25104 6058 1 7 . 1 1 112 112 PHE N N 112 118.008 118.008 113.706 4.302 25104 6059 1 7 . 1 1 112 112 PHE HA H 112 5.806 5.806 5.105 0.701 25104 6060 1 7 . 1 1 112 112 PHE C C 112 172.840 172.840 173.471 -0.631 25104 6061 1 7 . 1 1 112 112 PHE CA C 112 55.584 55.584 56.031 -0.447 25104 6062 1 7 . 1 1 112 112 PHE CB C 112 43.323 43.323 42.501 0.822 25104 6063 1 7 . 1 1 112 112 PHE H H 112 8.120 8.120 8.078 0.042 25104 6064 1 7 . 1 1 113 113 PHE N N 113 116.406 116.406 114.525 1.881 25104 6065 1 7 . 1 1 113 113 PHE HA H 113 5.739 5.739 5.240 0.499 25104 6066 1 7 . 1 1 113 113 PHE C C 113 175.349 175.349 173.251 2.098 25104 6067 1 7 . 1 1 113 113 PHE CA C 113 54.684 54.684 56.035 -1.351 25104 6068 1 7 . 1 1 113 113 PHE CB C 113 42.825 42.825 42.471 0.354 25104 6069 1 7 . 1 1 113 113 PHE H H 113 9.832 9.832 8.822 1.010 25104 6070 1 7 . 1 1 114 114 ILE N N 114 118.683 118.683 121.338 -2.655 25104 6071 1 7 . 1 1 114 114 ILE HA H 114 4.842 4.842 5.076 -0.234 25104 6072 1 7 . 1 1 114 114 ILE C C 114 178.414 178.414 176.185 2.229 25104 6073 1 7 . 1 1 114 114 ILE CA C 114 60.265 60.265 59.626 0.639 25104 6074 1 7 . 1 1 114 114 ILE CB C 114 40.466 40.466 39.703 0.763 25104 6075 1 7 . 1 1 114 114 ILE H H 114 9.156 9.156 8.791 0.365 25104 6076 1 7 . 1 1 115 115 CYS N N 115 125.524 125.524 128.569 -3.045 25104 6077 1 7 . 1 1 115 115 CYS HA H 115 4.808 4.808 4.530 0.278 25104 6078 1 7 . 1 1 115 115 CYS C C 115 177.658 177.658 176.425 1.233 25104 6079 1 7 . 1 1 115 115 CYS CA C 115 60.803 60.803 58.835 1.968 25104 6080 1 7 . 1 1 115 115 CYS CB C 115 28.723 28.723 25.211 3.512 25104 6081 1 7 . 1 1 115 115 CYS H H 115 9.616 9.616 8.927 0.689 25104 6082 1 7 . 1 1 116 116 THR N N 116 115.801 115.801 118.461 -2.660 25104 6083 1 7 . 1 1 116 116 THR HA H 116 4.380 4.380 4.152 0.228 25104 6084 1 7 . 1 1 116 116 THR C C 116 178.496 178.496 174.637 3.859 25104 6085 1 7 . 1 1 116 116 THR CA C 116 60.844 60.844 63.930 -3.086 25104 6086 1 7 . 1 1 116 116 THR CB C 116 66.730 66.730 69.002 -2.272 25104 6087 1 7 . 1 1 116 116 THR H H 116 8.990 8.990 8.351 0.639 25104 6088 1 7 . 1 1 117 117 ALA N N 117 122.356 122.356 123.637 -1.281 25104 6089 1 7 . 1 1 117 117 ALA HA H 117 4.420 4.420 4.695 -0.275 25104 6090 1 7 . 1 1 117 117 ALA C C 117 176.114 176.114 175.146 0.968 25104 6091 1 7 . 1 1 117 117 ALA CA C 117 50.668 50.668 50.491 0.177 25104 6092 1 7 . 1 1 117 117 ALA CB C 117 22.795 22.795 21.111 1.684 25104 6093 1 7 . 1 1 117 117 ALA H H 117 7.641 7.641 7.425 0.216 25104 6094 1 7 . 1 1 118 118 LYS N N 118 119.855 119.855 118.609 1.246 25104 6095 1 7 . 1 1 118 118 LYS HA H 118 3.840 3.840 4.465 -0.625 25104 6096 1 7 . 1 1 118 118 LYS C C 118 177.211 177.211 176.513 0.698 25104 6097 1 7 . 1 1 118 118 LYS CA C 118 57.913 57.913 56.964 0.949 25104 6098 1 7 . 1 1 118 118 LYS CB C 118 32.708 32.708 31.465 1.243 25104 6099 1 7 . 1 1 118 118 LYS H H 118 8.693 8.693 8.362 0.331 25104 6100 1 7 . 1 1 119 119 THR N N 119 119.004 119.004 116.163 2.841 25104 6101 1 7 . 1 1 119 119 THR HA H 119 3.730 3.730 3.758 -0.028 25104 6102 1 7 . 1 1 119 119 THR C C 119 177.928 177.928 174.462 3.466 25104 6103 1 7 . 1 1 119 119 THR CA C 119 57.301 57.301 59.270 -1.969 25104 6104 1 7 . 1 1 119 119 THR CB C 119 68.717 68.717 68.961 -0.244 25104 6105 1 7 . 1 1 119 119 THR H H 119 7.373 7.373 8.679 -1.306 25104 6106 1 7 . 1 1 120 120 GLU N N 120 124.713 124.713 123.954 0.759 25104 6107 1 7 . 1 1 120 120 GLU HA H 120 4.162 4.162 4.426 -0.264 25104 6108 1 7 . 1 1 120 120 GLU C C 120 178.190 178.190 177.333 0.857 25104 6109 1 7 . 1 1 120 120 GLU CA C 120 59.334 59.334 58.078 1.256 25104 6110 1 7 . 1 1 120 120 GLU CB C 120 29.322 29.322 29.459 -0.137 25104 6111 1 7 . 1 1 120 120 GLU H H 120 9.139 9.139 8.670 0.469 25104 6112 1 7 . 1 1 121 121 TRP N N 121 117.782 117.782 117.100 0.682 25104 6113 1 7 . 1 1 121 121 TRP HA H 121 4.716 4.716 4.665 0.051 25104 6114 1 7 . 1 1 121 121 TRP C C 121 177.244 177.244 176.212 1.032 25104 6115 1 7 . 1 1 121 121 TRP CA C 121 59.748 59.748 57.244 2.504 25104 6116 1 7 . 1 1 121 121 TRP CB C 121 26.947 26.947 28.547 -1.600 25104 6117 1 7 . 1 1 121 121 TRP H H 121 7.297 7.297 8.023 -0.726 25104 6118 1 7 . 1 1 122 122 LEU N N 122 119.806 119.806 119.913 -0.107 25104 6119 1 7 . 1 1 122 122 LEU HA H 122 4.315 4.315 4.085 0.230 25104 6120 1 7 . 1 1 122 122 LEU C C 122 173.304 173.304 176.319 -3.015 25104 6121 1 7 . 1 1 122 122 LEU CA C 122 54.543 54.543 54.796 -0.253 25104 6122 1 7 . 1 1 122 122 LEU CB C 122 39.075 39.075 41.152 -2.077 25104 6123 1 7 . 1 1 122 122 LEU H H 122 7.037 7.037 6.885 0.152 25104 6124 1 7 . 1 1 123 123 ASP N N 123 122.205 122.205 119.186 3.019 25104 6125 1 7 . 1 1 123 123 ASP HA H 123 5.222 5.222 4.750 0.472 25104 6126 1 7 . 1 1 123 123 ASP C C 123 179.276 179.276 177.533 1.743 25104 6127 1 7 . 1 1 123 123 ASP CA C 123 55.889 55.889 54.958 0.931 25104 6128 1 7 . 1 1 123 123 ASP CB C 123 39.517 39.517 41.402 -1.885 25104 6129 1 7 . 1 1 123 123 ASP H H 123 7.643 7.643 7.334 0.309 25104 6130 1 7 . 1 1 124 124 GLY N N 124 111.205 111.205 110.146 1.059 25104 6131 1 7 . 1 1 124 124 GLY C C 124 173.148 173.148 174.518 -1.370 25104 6132 1 7 . 1 1 124 124 GLY CA C 124 45.114 45.114 45.232 -0.118 25104 6133 1 7 . 1 1 124 124 GLY H H 124 9.550 9.550 8.627 0.923 25104 6134 1 7 . 1 1 125 125 LYS N N 125 115.408 115.408 121.298 -5.890 25104 6135 1 7 . 1 1 125 125 LYS HA H 125 4.173 4.173 4.622 -0.449 25104 6136 1 7 . 1 1 125 125 LYS C C 125 176.351 176.351 176.772 -0.421 25104 6137 1 7 . 1 1 125 125 LYS CA C 125 56.341 56.341 55.128 1.213 25104 6138 1 7 . 1 1 125 125 LYS CB C 125 35.504 35.504 33.494 2.010 25104 6139 1 7 . 1 1 125 125 LYS H H 125 7.765 7.765 7.483 0.282 25104 6140 1 7 . 1 1 126 126 HIS N N 126 119.526 119.526 116.118 3.408 25104 6141 1 7 . 1 1 126 126 HIS HA H 126 4.863 4.863 4.612 0.251 25104 6142 1 7 . 1 1 126 126 HIS C C 126 174.784 174.784 175.214 -0.430 25104 6143 1 7 . 1 1 126 126 HIS CA C 126 54.923 54.923 55.950 -1.027 25104 6144 1 7 . 1 1 126 126 HIS CB C 126 31.675 31.675 30.383 1.292 25104 6145 1 7 . 1 1 126 126 HIS H H 126 7.600 7.600 8.464 -0.864 25104 6146 1 7 . 1 1 127 127 VAL N N 127 125.009 125.009 120.561 4.448 25104 6147 1 7 . 1 1 127 127 VAL HA H 127 4.307 4.307 4.031 0.276 25104 6148 1 7 . 1 1 127 127 VAL C C 127 176.442 176.442 175.855 0.587 25104 6149 1 7 . 1 1 127 127 VAL CA C 127 63.893 63.893 63.422 0.471 25104 6150 1 7 . 1 1 127 127 VAL CB C 127 33.553 33.553 32.629 0.924 25104 6151 1 7 . 1 1 127 127 VAL H H 127 8.523 8.523 7.781 0.742 25104 6152 1 7 . 1 1 128 128 VAL N N 128 133.065 133.065 122.766 10.299 25104 6153 1 7 . 1 1 128 128 VAL HA H 128 4.176 4.176 4.063 0.113 25104 6154 1 7 . 1 1 128 128 VAL C C 128 176.113 176.113 175.974 0.139 25104 6155 1 7 . 1 1 128 128 VAL CA C 128 63.172 63.172 62.472 0.700 25104 6156 1 7 . 1 1 128 128 VAL CB C 128 31.612 31.612 31.882 -0.270 25104 6157 1 7 . 1 1 128 128 VAL H H 128 9.474 9.474 7.711 1.763 25104 6158 1 7 . 1 1 129 129 PHE N N 129 117.892 117.892 118.208 -0.316 25104 6159 1 7 . 1 1 129 129 PHE HA H 129 5.308 5.308 4.986 0.322 25104 6160 1 7 . 1 1 129 129 PHE C C 129 173.725 173.725 173.968 -0.243 25104 6161 1 7 . 1 1 129 129 PHE CA C 129 55.969 55.969 56.888 -0.919 25104 6162 1 7 . 1 1 129 129 PHE CB C 129 42.581 42.581 41.301 1.280 25104 6163 1 7 . 1 1 129 129 PHE H H 129 8.138 8.138 8.231 -0.093 25104 6164 1 7 . 1 1 130 130 GLY N N 130 110.747 110.747 106.390 4.357 25104 6165 1 7 . 1 1 130 130 GLY C C 130 171.591 171.591 171.787 -0.196 25104 6166 1 7 . 1 1 130 130 GLY CA C 130 46.505 46.505 43.702 2.803 25104 6167 1 7 . 1 1 130 130 GLY H H 130 7.356 7.356 7.469 -0.113 25104 6168 1 7 . 1 1 131 131 LYS N N 131 115.453 115.453 121.735 -6.282 25104 6169 1 7 . 1 1 131 131 LYS HA H 131 5.246 5.246 5.078 0.168 25104 6170 1 7 . 1 1 131 131 LYS C C 131 176.109 176.109 175.169 0.940 25104 6171 1 7 . 1 1 131 131 LYS CA C 131 54.887 54.887 55.164 -0.277 25104 6172 1 7 . 1 1 131 131 LYS CB C 131 36.077 36.077 37.293 -1.216 25104 6173 1 7 . 1 1 131 131 LYS H H 131 8.390 8.390 8.012 0.378 25104 6174 1 7 . 1 1 132 132 VAL N N 132 124.311 124.311 127.336 -3.025 25104 6175 1 7 . 1 1 132 132 VAL HA H 132 3.955 3.955 3.940 0.015 25104 6176 1 7 . 1 1 132 132 VAL C C 132 176.489 176.489 175.445 1.044 25104 6177 1 7 . 1 1 132 132 VAL CA C 132 64.284 64.284 64.074 0.210 25104 6178 1 7 . 1 1 132 132 VAL CB C 132 32.709 32.709 32.365 0.344 25104 6179 1 7 . 1 1 132 132 VAL H H 132 9.071 9.071 8.691 0.380 25104 6180 1 7 . 1 1 133 133 LYS N N 133 131.670 131.670 126.945 4.725 25104 6181 1 7 . 1 1 133 133 LYS HA H 133 4.483 4.483 4.538 -0.055 25104 6182 1 7 . 1 1 133 133 LYS C C 133 176.283 176.283 176.857 -0.574 25104 6183 1 7 . 1 1 133 133 LYS CA C 133 56.978 56.978 56.073 0.905 25104 6184 1 7 . 1 1 133 133 LYS CB C 133 34.028 34.028 34.060 -0.032 25104 6185 1 7 . 1 1 133 133 LYS H H 133 9.494 9.494 8.711 0.783 25104 6186 1 7 . 1 1 134 134 GLU N N 134 118.417 118.417 120.102 -1.685 25104 6187 1 7 . 1 1 134 134 GLU HA H 134 4.639 4.639 4.488 0.151 25104 6188 1 7 . 1 1 134 134 GLU C C 134 175.925 175.925 176.010 -0.085 25104 6189 1 7 . 1 1 134 134 GLU CA C 134 55.235 55.235 55.969 -0.735 25104 6190 1 7 . 1 1 134 134 GLU CB C 134 32.909 32.909 32.286 0.623 25104 6191 1 7 . 1 1 134 134 GLU H H 134 7.571 7.571 7.847 -0.276 25104 6192 1 7 . 1 1 135 135 GLY N N 135 108.109 108.109 111.131 -3.022 25104 6193 1 7 . 1 1 135 135 GLY C C 135 178.060 178.060 175.457 2.603 25104 6194 1 7 . 1 1 135 135 GLY CA C 135 46.195 46.195 45.427 0.768 25104 6195 1 7 . 1 1 135 135 GLY H H 135 8.695 8.695 8.891 -0.196 25104 6196 1 7 . 1 1 136 136 MET N N 136 122.582 122.582 119.736 2.846 25104 6197 1 7 . 1 1 136 136 MET HA H 136 4.496 4.496 4.066 0.430 25104 6198 1 7 . 1 1 136 136 MET C C 136 178.649 178.649 177.100 1.549 25104 6199 1 7 . 1 1 136 136 MET CA C 136 56.829 56.829 57.739 -0.910 25104 6200 1 7 . 1 1 136 136 MET CB C 136 30.215 30.215 32.533 -2.318 25104 6201 1 7 . 1 1 136 136 MET H H 136 8.854 8.854 8.282 0.572 25104 6202 1 7 . 1 1 137 137 ASN N N 137 114.457 114.457 116.729 -2.272 25104 6203 1 7 . 1 1 137 137 ASN HA H 137 4.504 4.504 4.600 -0.096 25104 6204 1 7 . 1 1 137 137 ASN C C 137 178.441 178.441 177.550 0.891 25104 6205 1 7 . 1 1 137 137 ASN CA C 137 55.819 55.819 55.925 -0.106 25104 6206 1 7 . 1 1 137 137 ASN CB C 137 36.016 36.016 38.143 -2.127 25104 6207 1 7 . 1 1 137 137 ASN H H 137 8.932 8.932 8.392 0.540 25104 6208 1 7 . 1 1 138 138 ILE N N 138 124.190 124.190 118.955 5.235 25104 6209 1 7 . 1 1 138 138 ILE HA H 138 3.800 3.800 3.856 -0.056 25104 6210 1 7 . 1 1 138 138 ILE C C 138 178.595 178.595 177.854 0.741 25104 6211 1 7 . 1 1 138 138 ILE CA C 138 61.581 61.581 63.155 -1.574 25104 6212 1 7 . 1 1 138 138 ILE CB C 138 34.468 34.468 36.661 -2.193 25104 6213 1 7 . 1 1 138 138 ILE H H 138 7.686 7.686 7.845 -0.159 25104 6214 1 7 . 1 1 139 139 VAL N N 139 121.912 121.912 120.608 1.304 25104 6215 1 7 . 1 1 139 139 VAL HA H 139 3.879 3.879 3.592 0.287 25104 6216 1 7 . 1 1 139 139 VAL C C 139 179.051 179.051 178.446 0.605 25104 6217 1 7 . 1 1 139 139 VAL CA C 139 66.206 66.206 66.715 -0.509 25104 6218 1 7 . 1 1 139 139 VAL CB C 139 31.195 31.195 31.343 -0.148 25104 6219 1 7 . 1 1 139 139 VAL H H 139 7.286 7.286 7.726 -0.440 25104 6220 1 7 . 1 1 140 140 GLU N N 140 117.357 117.357 118.682 -1.325 25104 6221 1 7 . 1 1 140 140 GLU HA H 140 4.095 4.095 4.092 0.003 25104 6222 1 7 . 1 1 140 140 GLU C C 140 180.486 180.486 178.002 2.484 25104 6223 1 7 . 1 1 140 140 GLU CA C 140 59.336 59.336 58.556 0.780 25104 6224 1 7 . 1 1 140 140 GLU CB C 140 30.199 30.199 29.284 0.915 25104 6225 1 7 . 1 1 140 140 GLU H H 140 8.309 8.309 7.966 0.343 25104 6226 1 7 . 1 1 141 141 ALA N N 141 121.133 121.133 122.362 -1.229 25104 6227 1 7 . 1 1 141 141 ALA HA H 141 4.118 4.118 3.980 0.138 25104 6228 1 7 . 1 1 141 141 ALA C C 141 181.524 181.524 179.473 2.051 25104 6229 1 7 . 1 1 141 141 ALA CA C 141 54.771 54.771 55.044 -0.273 25104 6230 1 7 . 1 1 141 141 ALA CB C 141 18.207 18.207 18.726 -0.518 25104 6231 1 7 . 1 1 141 141 ALA H H 141 7.539 7.539 7.581 -0.042 25104 6232 1 7 . 1 1 142 142 MET N N 142 117.513 117.513 115.957 1.556 25104 6233 1 7 . 1 1 142 142 MET HA H 142 3.993 3.993 4.488 -0.495 25104 6234 1 7 . 1 1 142 142 MET C C 142 178.862 178.862 178.197 0.665 25104 6235 1 7 . 1 1 142 142 MET CA C 142 59.678 59.678 58.680 0.998 25104 6236 1 7 . 1 1 142 142 MET CB C 142 33.723 33.723 32.228 1.495 25104 6237 1 7 . 1 1 142 142 MET H H 142 8.284 8.284 8.086 0.198 25104 6238 1 7 . 1 1 143 143 GLU N N 143 116.365 116.365 120.376 -4.011 25104 6239 1 7 . 1 1 143 143 GLU HA H 143 3.772 3.772 4.004 -0.232 25104 6240 1 7 . 1 1 143 143 GLU C C 143 179.051 179.051 179.226 -0.175 25104 6241 1 7 . 1 1 143 143 GLU CA C 143 59.345 59.345 59.544 -0.199 25104 6242 1 7 . 1 1 143 143 GLU CB C 143 30.470 30.470 29.405 1.065 25104 6243 1 7 . 1 1 143 143 GLU H H 143 7.853 7.853 8.104 -0.251 25104 6244 1 7 . 1 1 144 144 ARG N N 144 114.753 114.753 116.591 -1.838 25104 6245 1 7 . 1 1 144 144 ARG HA H 144 3.978 3.978 4.104 -0.126 25104 6246 1 7 . 1 1 144 144 ARG C C 144 178.222 178.222 177.410 0.812 25104 6247 1 7 . 1 1 144 144 ARG CA C 144 57.669 57.669 57.704 -0.035 25104 6248 1 7 . 1 1 144 144 ARG CB C 144 29.523 29.523 30.120 -0.597 25104 6249 1 7 . 1 1 144 144 ARG H H 144 7.082 7.082 7.337 -0.255 25104 6250 1 7 . 1 1 145 145 PHE N N 145 115.388 115.388 116.502 -1.114 25104 6251 1 7 . 1 1 145 145 PHE HA H 145 4.851 4.851 4.484 0.367 25104 6252 1 7 . 1 1 145 145 PHE C C 145 176.868 176.868 175.999 0.869 25104 6253 1 7 . 1 1 145 145 PHE CA C 145 57.717 57.717 59.001 -1.284 25104 6254 1 7 . 1 1 145 145 PHE CB C 145 38.998 38.998 38.992 0.007 25104 6255 1 7 . 1 1 145 145 PHE H H 145 7.651 7.651 7.379 0.272 25104 6256 1 7 . 1 1 146 146 GLY N N 146 104.842 104.842 106.262 -1.420 25104 6257 1 7 . 1 1 146 146 GLY C C 146 172.946 172.946 173.444 -0.498 25104 6258 1 7 . 1 1 146 146 GLY CA C 146 44.065 44.065 44.891 -0.826 25104 6259 1 7 . 1 1 146 146 GLY H H 146 7.551 7.551 7.480 0.071 25104 6260 1 7 . 1 1 147 147 SER N N 147 110.079 110.079 113.724 -3.645 25104 6261 1 7 . 1 1 147 147 SER HA H 147 4.813 4.813 4.846 -0.033 25104 6262 1 7 . 1 1 147 147 SER C C 147 176.384 176.384 175.709 0.675 25104 6263 1 7 . 1 1 147 147 SER CA C 147 58.165 58.165 57.006 1.159 25104 6264 1 7 . 1 1 147 147 SER CB C 147 65.804 65.804 66.777 -0.973 25104 6265 1 7 . 1 1 147 147 SER H H 147 8.229 8.229 7.965 0.264 25104 6266 1 7 . 1 1 148 148 ARG N N 148 120.299 120.299 121.452 -1.153 25104 6267 1 7 . 1 1 148 148 ARG HA H 148 4.221 4.221 4.147 0.074 25104 6268 1 7 . 1 1 148 148 ARG C C 148 177.709 177.709 176.668 1.041 25104 6269 1 7 . 1 1 148 148 ARG CA C 148 59.810 59.810 58.474 1.336 25104 6270 1 7 . 1 1 148 148 ARG CB C 148 29.896 29.896 29.829 0.067 25104 6271 1 7 . 1 1 148 148 ARG H H 148 8.850 8.850 8.820 0.030 25104 6272 1 7 . 1 1 149 149 ASN N N 149 111.689 111.689 113.967 -2.278 25104 6273 1 7 . 1 1 149 149 ASN HA H 149 4.901 4.901 4.671 0.230 25104 6274 1 7 . 1 1 149 149 ASN C C 149 177.708 177.708 176.263 1.445 25104 6275 1 7 . 1 1 149 149 ASN CA C 149 52.305 52.305 53.082 -0.777 25104 6276 1 7 . 1 1 149 149 ASN CB C 149 38.477 38.477 37.731 0.746 25104 6277 1 7 . 1 1 149 149 ASN H H 149 7.891 7.891 8.129 -0.238 25104 6278 1 7 . 1 1 150 150 GLY N N 150 110.138 110.138 108.371 1.767 25104 6279 1 7 . 1 1 150 150 GLY C C 150 174.368 174.368 173.550 0.818 25104 6280 1 7 . 1 1 150 150 GLY CA C 150 45.257 45.257 44.995 0.262 25104 6281 1 7 . 1 1 150 150 GLY H H 150 8.087 8.087 8.108 -0.021 25104 6282 1 7 . 1 1 151 151 LYS N N 151 119.859 119.859 122.042 -2.183 25104 6283 1 7 . 1 1 151 151 LYS HA H 151 4.466 4.466 4.510 -0.044 25104 6284 1 7 . 1 1 151 151 LYS C C 151 179.533 179.533 175.937 3.596 25104 6285 1 7 . 1 1 151 151 LYS CA C 151 57.088 57.088 55.679 1.409 25104 6286 1 7 . 1 1 151 151 LYS CB C 151 32.435 32.435 34.182 -1.747 25104 6287 1 7 . 1 1 151 151 LYS H H 151 7.534 7.534 7.722 -0.188 25104 6288 1 7 . 1 1 152 152 THR N N 152 116.442 116.442 113.609 2.833 25104 6289 1 7 . 1 1 152 152 THR HA H 152 5.579 5.579 4.978 0.601 25104 6290 1 7 . 1 1 152 152 THR C C 152 176.969 176.969 174.549 2.420 25104 6291 1 7 . 1 1 152 152 THR CA C 152 60.097 60.097 60.507 -0.410 25104 6292 1 7 . 1 1 152 152 THR CB C 152 71.324 71.324 70.640 0.684 25104 6293 1 7 . 1 1 152 152 THR H H 152 8.837 8.837 8.233 0.604 25104 6294 1 7 . 1 1 153 153 SER N N 153 117.113 117.113 115.231 1.882 25104 6295 1 7 . 1 1 153 153 SER HA H 153 4.574 4.574 4.508 0.066 25104 6296 1 7 . 1 1 153 153 SER C C 153 175.737 175.737 173.631 2.106 25104 6297 1 7 . 1 1 153 153 SER CA C 153 58.222 58.222 59.948 -1.726 25104 6298 1 7 . 1 1 153 153 SER CB C 153 63.922 63.922 64.064 -0.142 25104 6299 1 7 . 1 1 153 153 SER H H 153 9.424 9.424 8.661 0.763 25104 6300 1 7 . 1 1 154 154 LYS N N 154 119.347 119.347 120.497 -1.150 25104 6301 1 7 . 1 1 154 154 LYS HA H 154 4.594 4.594 4.421 0.173 25104 6302 1 7 . 1 1 154 154 LYS C C 154 175.436 175.436 175.383 0.053 25104 6303 1 7 . 1 1 154 154 LYS CA C 154 54.578 54.578 54.075 0.503 25104 6304 1 7 . 1 1 154 154 LYS CB C 154 38.443 38.443 34.199 4.244 25104 6305 1 7 . 1 1 154 154 LYS H H 154 7.566 7.566 7.735 -0.169 25104 6306 1 7 . 1 1 155 155 LYS N N 155 121.869 121.869 123.439 -1.570 25104 6307 1 7 . 1 1 155 155 LYS HA H 155 4.348 4.348 4.347 0.001 25104 6308 1 7 . 1 1 155 155 LYS C C 155 176.946 176.946 175.723 1.223 25104 6309 1 7 . 1 1 155 155 LYS CA C 155 56.325 56.325 56.226 0.099 25104 6310 1 7 . 1 1 155 155 LYS CB C 155 32.136 32.136 31.552 0.584 25104 6311 1 7 . 1 1 155 155 LYS H H 155 8.820 8.820 8.445 0.375 25104 6312 1 7 . 1 1 156 156 ILE N N 156 134.145 134.145 127.063 7.082 25104 6313 1 7 . 1 1 156 156 ILE HA H 156 5.134 5.134 4.893 0.241 25104 6314 1 7 . 1 1 156 156 ILE C C 156 177.451 177.451 175.822 1.629 25104 6315 1 7 . 1 1 156 156 ILE CA C 156 59.538 59.538 60.558 -1.020 25104 6316 1 7 . 1 1 156 156 ILE CB C 156 37.167 37.167 37.622 -0.455 25104 6317 1 7 . 1 1 156 156 ILE H H 156 9.609 9.609 7.942 1.667 25104 6318 1 7 . 1 1 157 157 THR N N 157 117.447 117.447 118.952 -1.505 25104 6319 1 7 . 1 1 157 157 THR HA H 157 5.311 5.311 5.305 0.006 25104 6320 1 7 . 1 1 157 157 THR C C 157 174.572 174.572 174.452 0.120 25104 6321 1 7 . 1 1 157 157 THR CA C 157 59.679 59.679 59.258 0.421 25104 6322 1 7 . 1 1 157 157 THR CB C 157 72.708 72.708 71.977 0.731 25104 6323 1 7 . 1 1 157 157 THR H H 157 9.281 9.281 8.938 0.343 25104 6324 1 7 . 1 1 158 158 ILE N N 158 121.950 121.950 123.558 -1.608 25104 6325 1 7 . 1 1 158 158 ILE HA H 158 4.293 4.293 4.419 -0.126 25104 6326 1 7 . 1 1 158 158 ILE C C 158 175.631 175.631 176.507 -0.876 25104 6327 1 7 . 1 1 158 158 ILE CA C 158 60.992 60.992 61.776 -0.784 25104 6328 1 7 . 1 1 158 158 ILE CB C 158 36.826 36.826 36.538 0.288 25104 6329 1 7 . 1 1 158 158 ILE H H 158 8.624 8.624 8.292 0.332 25104 6330 1 7 . 1 1 159 159 ALA N N 159 132.727 132.727 130.193 2.534 25104 6331 1 7 . 1 1 159 159 ALA HA H 159 4.179 4.179 4.084 0.095 25104 6332 1 7 . 1 1 159 159 ALA C C 159 179.489 179.489 176.778 2.711 25104 6333 1 7 . 1 1 159 159 ALA CA C 159 54.243 54.243 54.510 -0.267 25104 6334 1 7 . 1 1 159 159 ALA CB C 159 18.804 18.804 19.455 -0.651 25104 6335 1 7 . 1 1 159 159 ALA H H 159 8.910 8.910 8.607 0.303 25104 6336 1 7 . 1 1 160 160 ASP N N 160 111.561 111.561 111.427 0.134 25104 6337 1 7 . 1 1 160 160 ASP HA H 160 4.937 4.937 4.930 0.007 25104 6338 1 7 . 1 1 160 160 ASP C C 160 173.920 173.920 174.204 -0.284 25104 6339 1 7 . 1 1 160 160 ASP CA C 160 52.873 52.873 53.603 -0.730 25104 6340 1 7 . 1 1 160 160 ASP CB C 160 43.620 43.620 43.552 0.068 25104 6341 1 7 . 1 1 160 160 ASP H H 160 8.107 8.107 7.646 0.461 25104 6342 1 7 . 1 1 161 161 CYS N N 161 116.145 116.145 117.644 -1.499 25104 6343 1 7 . 1 1 161 161 CYS HA H 161 4.626 4.626 5.927 -1.301 25104 6344 1 7 . 1 1 161 161 CYS C C 161 173.426 173.426 174.289 -0.863 25104 6345 1 7 . 1 1 161 161 CYS CA C 161 55.518 55.518 56.352 -0.834 25104 6346 1 7 . 1 1 161 161 CYS CB C 161 31.463 31.463 32.201 -0.738 25104 6347 1 7 . 1 1 161 161 CYS H H 161 8.640 8.640 8.695 -0.055 25104 6348 1 7 . 1 1 162 162 GLY N N 162 104.114 104.114 107.958 -3.844 25104 6349 1 7 . 1 1 162 162 GLY C C 162 171.116 171.116 173.445 -2.329 25104 6350 1 7 . 1 1 162 162 GLY CA C 162 45.436 45.436 45.091 0.345 25104 6351 1 7 . 1 1 162 162 GLY H H 162 6.889 6.889 8.383 -1.494 25104 6352 1 7 . 1 1 163 163 GLN N N 163 121.022 121.022 119.174 1.848 25104 6353 1 7 . 1 1 163 163 GLN HA H 163 5.150 5.150 4.117 1.033 25104 6354 1 7 . 1 1 163 163 GLN C C 163 176.548 176.548 175.833 0.715 25104 6355 1 7 . 1 1 163 163 GLN CA C 163 54.794 54.794 55.967 -1.173 25104 6356 1 7 . 1 1 163 163 GLN CB C 163 30.765 30.765 28.635 2.130 25104 6357 1 7 . 1 1 163 163 GLN H H 163 9.062 9.062 8.110 0.952 25104 6358 1 7 . 1 1 164 164 LEU N N 164 126.034 126.034 127.577 -1.543 25104 6359 1 7 . 1 1 164 164 LEU HA H 164 4.641 4.641 4.088 0.553 25104 6360 1 7 . 1 1 164 164 LEU C C 164 177.108 177.108 175.846 1.262 25104 6361 1 7 . 1 1 164 164 LEU CA C 164 55.036 55.036 55.596 -0.560 25104 6362 1 7 . 1 1 164 164 LEU CB C 164 43.560 43.560 40.380 3.180 25104 6363 1 7 . 1 1 164 164 LEU H H 164 8.639 8.639 8.169 0.470 25104 6364 1 8 . 1 1 2 2 VAL N N 2 111.261 111.261 122.132 -10.871 25104 6365 1 8 . 1 1 2 2 VAL HA H 2 4.126 4.126 4.075 0.051 25104 6366 1 8 . 1 1 2 2 VAL C C 2 176.404 176.404 175.575 0.829 25104 6367 1 8 . 1 1 2 2 VAL CA C 2 61.417 61.417 62.585 -1.168 25104 6368 1 8 . 1 1 2 2 VAL CB C 2 33.763 33.763 32.565 1.198 25104 6369 1 8 . 1 1 2 2 VAL H H 2 8.447 8.447 8.313 0.134 25104 6370 1 8 . 1 1 3 3 ASN N N 3 126.056 126.056 120.184 5.872 25104 6371 1 8 . 1 1 3 3 ASN HA H 3 5.205 5.205 4.853 0.352 25104 6372 1 8 . 1 1 3 3 ASN CA C 3 50.987 50.987 52.513 -1.526 25104 6373 1 8 . 1 1 3 3 ASN CB C 3 38.031 38.031 38.679 -0.649 25104 6374 1 8 . 1 1 3 3 ASN H H 3 8.666 8.666 8.156 0.510 25104 6375 1 8 . 1 1 4 4 PRO HA H 4 4.818 4.818 4.481 0.337 25104 6376 1 8 . 1 1 4 4 PRO C C 4 176.242 176.242 175.836 0.406 25104 6377 1 8 . 1 1 4 4 PRO CA C 4 62.832 62.832 62.887 -0.055 25104 6378 1 8 . 1 1 4 4 PRO CB C 4 33.162 33.162 32.209 0.953 25104 6379 1 8 . 1 1 5 5 THR N N 5 115.265 115.265 121.276 -6.011 25104 6380 1 8 . 1 1 5 5 THR HA H 5 5.759 5.759 5.080 0.679 25104 6381 1 8 . 1 1 5 5 THR C C 5 176.483 176.483 174.085 2.398 25104 6382 1 8 . 1 1 5 5 THR CA C 5 60.867 60.867 62.116 -1.249 25104 6383 1 8 . 1 1 5 5 THR CB C 5 71.050 71.050 70.306 0.744 25104 6384 1 8 . 1 1 5 5 THR H H 5 8.787 8.787 8.140 0.647 25104 6385 1 8 . 1 1 6 6 VAL N N 6 120.640 120.640 122.670 -2.030 25104 6386 1 8 . 1 1 6 6 VAL HA H 6 5.379 5.379 4.523 0.856 25104 6387 1 8 . 1 1 6 6 VAL C C 6 174.710 174.710 174.206 0.504 25104 6388 1 8 . 1 1 6 6 VAL CA C 6 58.881 58.881 60.261 -1.379 25104 6389 1 8 . 1 1 6 6 VAL CB C 6 36.180 36.180 33.020 3.160 25104 6390 1 8 . 1 1 6 6 VAL H H 6 8.805 8.805 8.748 0.057 25104 6391 1 8 . 1 1 7 7 PHE N N 7 119.359 119.359 128.126 -8.767 25104 6392 1 8 . 1 1 7 7 PHE HA H 7 5.948 5.948 5.271 0.677 25104 6393 1 8 . 1 1 7 7 PHE C C 7 173.634 173.634 173.566 0.068 25104 6394 1 8 . 1 1 7 7 PHE CA C 7 55.925 55.925 55.867 0.058 25104 6395 1 8 . 1 1 7 7 PHE CB C 7 43.166 43.166 41.858 1.308 25104 6396 1 8 . 1 1 7 7 PHE H H 7 8.995 8.995 8.403 0.592 25104 6397 1 8 . 1 1 8 8 PHE N N 8 117.097 117.097 124.307 -7.210 25104 6398 1 8 . 1 1 8 8 PHE HA H 8 5.367 5.367 5.205 0.162 25104 6399 1 8 . 1 1 8 8 PHE C C 8 176.000 176.000 174.080 1.920 25104 6400 1 8 . 1 1 8 8 PHE CA C 8 53.460 53.460 55.382 -1.922 25104 6401 1 8 . 1 1 8 8 PHE CB C 8 42.791 42.791 43.411 -0.620 25104 6402 1 8 . 1 1 8 8 PHE H H 8 9.571 9.571 8.675 0.896 25104 6403 1 8 . 1 1 9 9 ASP N N 9 124.287 124.287 121.959 2.328 25104 6404 1 8 . 1 1 9 9 ASP HA H 9 5.585 5.585 5.107 0.478 25104 6405 1 8 . 1 1 9 9 ASP C C 9 176.286 176.286 175.173 1.113 25104 6406 1 8 . 1 1 9 9 ASP CA C 9 54.831 54.831 53.860 0.971 25104 6407 1 8 . 1 1 9 9 ASP CB C 9 41.366 41.366 42.832 -1.466 25104 6408 1 8 . 1 1 9 9 ASP H H 9 9.301 9.301 8.746 0.555 25104 6409 1 8 . 1 1 10 10 ILE N N 10 124.286 124.286 124.484 -0.198 25104 6410 1 8 . 1 1 10 10 ILE HA H 10 5.213 5.213 4.538 0.675 25104 6411 1 8 . 1 1 10 10 ILE C C 10 177.031 177.031 174.742 2.289 25104 6412 1 8 . 1 1 10 10 ILE CA C 10 58.233 58.233 59.097 -0.864 25104 6413 1 8 . 1 1 10 10 ILE CB C 10 37.769 37.769 36.362 1.407 25104 6414 1 8 . 1 1 10 10 ILE H H 10 9.059 9.059 8.488 0.571 25104 6415 1 8 . 1 1 11 11 ALA N N 11 132.503 132.503 131.680 0.823 25104 6416 1 8 . 1 1 11 11 ALA HA H 11 5.216 5.216 4.956 0.260 25104 6417 1 8 . 1 1 11 11 ALA C C 11 175.928 175.928 175.742 0.186 25104 6418 1 8 . 1 1 11 11 ALA CA C 11 50.948 50.948 50.190 0.758 25104 6419 1 8 . 1 1 11 11 ALA CB C 11 22.804 22.804 21.927 0.877 25104 6420 1 8 . 1 1 11 11 ALA H H 11 9.642 9.642 8.591 1.051 25104 6421 1 8 . 1 1 12 12 VAL N N 12 118.551 118.551 125.205 -6.654 25104 6422 1 8 . 1 1 12 12 VAL HA H 12 4.578 4.578 3.946 0.632 25104 6423 1 8 . 1 1 12 12 VAL C C 12 177.347 177.347 175.812 1.535 25104 6424 1 8 . 1 1 12 12 VAL CA C 12 60.457 60.457 61.993 -1.536 25104 6425 1 8 . 1 1 12 12 VAL CB C 12 33.301 33.301 31.256 2.045 25104 6426 1 8 . 1 1 12 12 VAL H H 12 8.984 8.984 8.378 0.606 25104 6427 1 8 . 1 1 13 13 ASP N N 13 131.009 131.009 128.658 2.351 25104 6428 1 8 . 1 1 13 13 ASP HA H 13 4.359 4.359 4.210 0.149 25104 6429 1 8 . 1 1 13 13 ASP C C 13 176.795 176.795 176.298 0.497 25104 6430 1 8 . 1 1 13 13 ASP CA C 13 55.880 55.880 55.495 0.385 25104 6431 1 8 . 1 1 13 13 ASP CB C 13 39.999 39.999 39.309 0.690 25104 6432 1 8 . 1 1 13 13 ASP H H 13 9.868 9.868 9.103 0.765 25104 6433 1 8 . 1 1 14 14 GLY N N 14 101.848 101.848 103.549 -1.701 25104 6434 1 8 . 1 1 14 14 GLY C C 14 174.700 174.700 174.563 0.137 25104 6435 1 8 . 1 1 14 14 GLY CA C 14 45.303 45.303 45.075 0.228 25104 6436 1 8 . 1 1 14 14 GLY H H 14 8.578 8.578 8.590 -0.012 25104 6437 1 8 . 1 1 15 15 GLU N N 15 123.331 123.331 122.675 0.656 25104 6438 1 8 . 1 1 15 15 GLU HA H 15 4.891 4.891 4.675 0.216 25104 6439 1 8 . 1 1 15 15 GLU CA C 15 52.932 52.932 52.958 -0.026 25104 6440 1 8 . 1 1 15 15 GLU CB C 15 30.468 30.468 29.455 1.013 25104 6441 1 8 . 1 1 15 15 GLU H H 15 8.086 8.086 7.640 0.446 25104 6442 1 8 . 1 1 16 16 PRO HA H 16 4.240 4.240 4.378 -0.138 25104 6443 1 8 . 1 1 16 16 PRO C C 16 177.072 177.072 176.161 0.911 25104 6444 1 8 . 1 1 16 16 PRO CA C 16 64.838 64.838 62.878 1.960 25104 6445 1 8 . 1 1 16 16 PRO CB C 16 32.368 32.368 31.819 0.549 25104 6446 1 8 . 1 1 17 17 LEU N N 17 126.051 126.051 126.713 -0.662 25104 6447 1 8 . 1 1 17 17 LEU HA H 17 4.739 4.739 4.326 0.413 25104 6448 1 8 . 1 1 17 17 LEU C C 17 176.975 176.975 176.554 0.421 25104 6449 1 8 . 1 1 17 17 LEU CA C 17 55.511 55.511 55.903 -0.392 25104 6450 1 8 . 1 1 17 17 LEU CB C 17 44.257 44.257 43.112 1.145 25104 6451 1 8 . 1 1 17 17 LEU H H 17 9.237 9.237 8.554 0.683 25104 6452 1 8 . 1 1 18 18 GLY N N 18 102.496 102.496 105.159 -2.663 25104 6453 1 8 . 1 1 18 18 GLY C C 18 170.997 170.997 171.547 -0.550 25104 6454 1 8 . 1 1 18 18 GLY CA C 18 44.713 44.713 44.845 -0.132 25104 6455 1 8 . 1 1 18 18 GLY H H 18 7.303 7.303 7.522 -0.219 25104 6456 1 8 . 1 1 19 19 ARG N N 19 121.330 121.330 119.680 1.650 25104 6457 1 8 . 1 1 19 19 ARG HA H 19 5.665 5.665 4.909 0.756 25104 6458 1 8 . 1 1 19 19 ARG C C 19 176.011 176.011 175.224 0.787 25104 6459 1 8 . 1 1 19 19 ARG CA C 19 55.106 55.106 55.441 -0.335 25104 6460 1 8 . 1 1 19 19 ARG CB C 19 33.587 33.587 32.916 0.671 25104 6461 1 8 . 1 1 19 19 ARG H H 19 8.348 8.348 8.392 -0.044 25104 6462 1 8 . 1 1 20 20 VAL N N 20 126.859 126.859 124.989 1.870 25104 6463 1 8 . 1 1 20 20 VAL HA H 20 4.650 4.650 4.553 0.097 25104 6464 1 8 . 1 1 20 20 VAL C C 20 174.836 174.836 174.216 0.620 25104 6465 1 8 . 1 1 20 20 VAL CA C 20 59.966 59.966 60.808 -0.842 25104 6466 1 8 . 1 1 20 20 VAL CB C 20 35.034 35.034 35.105 -0.071 25104 6467 1 8 . 1 1 20 20 VAL H H 20 9.400 9.400 8.563 0.837 25104 6468 1 8 . 1 1 21 21 SER N N 21 120.319 120.319 121.750 -1.431 25104 6469 1 8 . 1 1 21 21 SER HA H 21 5.565 5.565 5.198 0.367 25104 6470 1 8 . 1 1 21 21 SER C C 21 174.694 174.694 173.359 1.335 25104 6471 1 8 . 1 1 21 21 SER CA C 21 55.462 55.462 56.798 -1.336 25104 6472 1 8 . 1 1 21 21 SER CB C 21 66.546 66.546 64.426 2.120 25104 6473 1 8 . 1 1 21 21 SER H H 21 8.791 8.791 8.604 0.187 25104 6474 1 8 . 1 1 22 22 PHE N N 22 119.239 119.239 124.580 -5.341 25104 6475 1 8 . 1 1 22 22 PHE HA H 22 5.279 5.279 5.090 0.189 25104 6476 1 8 . 1 1 22 22 PHE C C 22 176.190 176.190 175.439 0.751 25104 6477 1 8 . 1 1 22 22 PHE CA C 22 55.882 55.882 56.577 -0.695 25104 6478 1 8 . 1 1 22 22 PHE CB C 22 42.673 42.673 40.303 2.370 25104 6479 1 8 . 1 1 22 22 PHE H H 22 9.553 9.553 9.323 0.230 25104 6480 1 8 . 1 1 23 23 GLU N N 23 123.308 123.308 125.129 -1.821 25104 6481 1 8 . 1 1 23 23 GLU HA H 23 4.797 4.797 4.286 0.511 25104 6482 1 8 . 1 1 23 23 GLU C C 23 175.673 175.673 175.799 -0.126 25104 6483 1 8 . 1 1 23 23 GLU CA C 23 55.119 55.119 55.633 -0.514 25104 6484 1 8 . 1 1 23 23 GLU CB C 23 32.058 32.058 29.983 2.075 25104 6485 1 8 . 1 1 23 23 GLU H H 23 8.791 8.791 8.816 -0.025 25104 6486 1 8 . 1 1 24 24 LEU N N 24 122.539 122.539 127.390 -4.851 25104 6487 1 8 . 1 1 24 24 LEU HA H 24 4.749 4.749 4.882 -0.133 25104 6488 1 8 . 1 1 24 24 LEU C C 24 178.229 178.229 177.400 0.829 25104 6489 1 8 . 1 1 24 24 LEU CA C 24 51.899 51.899 54.077 -2.178 25104 6490 1 8 . 1 1 24 24 LEU CB C 24 43.248 43.248 42.689 0.559 25104 6491 1 8 . 1 1 24 24 LEU H H 24 8.198 8.198 8.541 -0.343 25104 6492 1 8 . 1 1 25 25 PHE N N 25 124.715 124.715 122.985 1.730 25104 6493 1 8 . 1 1 25 25 PHE HA H 25 5.171 5.171 4.940 0.231 25104 6494 1 8 . 1 1 25 25 PHE C C 25 177.485 177.485 175.512 1.973 25104 6495 1 8 . 1 1 25 25 PHE CA C 25 54.699 54.699 56.858 -2.159 25104 6496 1 8 . 1 1 25 25 PHE CB C 25 36.100 36.100 36.841 -0.741 25104 6497 1 8 . 1 1 25 25 PHE H H 25 8.864 8.864 9.390 -0.526 25104 6498 1 8 . 1 1 26 26 ALA N N 26 128.663 128.663 124.129 4.534 25104 6499 1 8 . 1 1 26 26 ALA HA H 26 3.838 3.838 4.409 -0.571 25104 6500 1 8 . 1 1 26 26 ALA C C 26 177.291 177.291 178.446 -1.155 25104 6501 1 8 . 1 1 26 26 ALA CA C 26 54.316 54.316 54.456 -0.140 25104 6502 1 8 . 1 1 26 26 ALA CB C 26 19.002 19.002 18.897 0.105 25104 6503 1 8 . 1 1 26 26 ALA H H 26 8.480 8.480 7.654 0.826 25104 6504 1 8 . 1 1 27 27 ASP N N 27 114.191 114.191 116.525 -2.334 25104 6505 1 8 . 1 1 27 27 ASP HA H 27 4.197 4.197 4.456 -0.259 25104 6506 1 8 . 1 1 27 27 ASP C C 27 177.976 177.976 177.226 0.750 25104 6507 1 8 . 1 1 27 27 ASP CA C 27 55.410 55.410 56.269 -0.859 25104 6508 1 8 . 1 1 27 27 ASP CB C 27 38.821 38.821 40.296 -1.475 25104 6509 1 8 . 1 1 27 27 ASP H H 27 9.145 9.145 8.688 0.457 25104 6510 1 8 . 1 1 28 28 LYS N N 28 118.107 118.107 118.928 -0.821 25104 6511 1 8 . 1 1 28 28 LYS HA H 28 4.599 4.599 4.409 0.190 25104 6512 1 8 . 1 1 28 28 LYS C C 28 177.840 177.840 177.431 0.409 25104 6513 1 8 . 1 1 28 28 LYS CA C 28 56.262 56.262 57.638 -1.376 25104 6514 1 8 . 1 1 28 28 LYS CB C 28 36.006 36.006 34.860 1.146 25104 6515 1 8 . 1 1 28 28 LYS H H 28 7.569 7.569 7.669 -0.100 25104 6516 1 8 . 1 1 29 29 VAL N N 29 114.551 114.551 115.809 -1.258 25104 6517 1 8 . 1 1 29 29 VAL HA H 29 4.487 4.487 4.702 -0.215 25104 6518 1 8 . 1 1 29 29 VAL CA C 29 58.309 58.309 58.618 -0.309 25104 6519 1 8 . 1 1 29 29 VAL CB C 29 32.078 32.078 31.461 0.617 25104 6520 1 8 . 1 1 29 29 VAL H H 29 8.364 8.364 8.196 0.168 25104 6521 1 8 . 1 1 30 30 PRO HA H 30 4.450 4.450 4.314 0.136 25104 6522 1 8 . 1 1 30 30 PRO C C 30 181.892 181.892 178.896 2.996 25104 6523 1 8 . 1 1 30 30 PRO CA C 30 66.227 66.227 66.128 0.099 25104 6524 1 8 . 1 1 30 30 PRO CB C 30 31.547 31.547 32.017 -0.470 25104 6525 1 8 . 1 1 31 31 LYS N N 31 123.785 123.785 118.449 5.336 25104 6526 1 8 . 1 1 31 31 LYS HA H 31 4.105 4.105 4.083 0.022 25104 6527 1 8 . 1 1 31 31 LYS C C 31 182.749 182.749 179.045 3.704 25104 6528 1 8 . 1 1 31 31 LYS CA C 31 61.057 61.057 60.031 1.026 25104 6529 1 8 . 1 1 31 31 LYS CB C 31 32.468 32.468 31.977 0.491 25104 6530 1 8 . 1 1 31 31 LYS H H 31 10.684 10.684 7.979 2.705 25104 6531 1 8 . 1 1 32 32 THR N N 32 124.002 124.002 114.451 9.551 25104 6532 1 8 . 1 1 32 32 THR HA H 32 4.034 4.034 4.422 -0.388 25104 6533 1 8 . 1 1 32 32 THR C C 32 178.673 178.673 176.022 2.651 25104 6534 1 8 . 1 1 32 32 THR CA C 32 67.526 67.526 66.147 1.379 25104 6535 1 8 . 1 1 32 32 THR CB C 32 68.705 68.705 68.802 -0.097 25104 6536 1 8 . 1 1 32 32 THR H H 32 10.320 10.320 8.180 2.140 25104 6537 1 8 . 1 1 33 33 ALA N N 33 125.616 125.616 123.317 2.299 25104 6538 1 8 . 1 1 33 33 ALA HA H 33 4.092 4.092 4.206 -0.114 25104 6539 1 8 . 1 1 33 33 ALA C C 33 179.174 179.174 178.637 0.537 25104 6540 1 8 . 1 1 33 33 ALA CA C 33 55.972 55.972 54.552 1.420 25104 6541 1 8 . 1 1 33 33 ALA CB C 33 18.414 18.414 18.582 -0.168 25104 6542 1 8 . 1 1 33 33 ALA H H 33 9.311 9.311 8.040 1.271 25104 6543 1 8 . 1 1 34 34 GLU N N 34 117.376 117.376 119.672 -2.296 25104 6544 1 8 . 1 1 34 34 GLU HA H 34 4.556 4.556 3.870 0.686 25104 6545 1 8 . 1 1 34 34 GLU C C 34 178.418 178.418 178.270 0.148 25104 6546 1 8 . 1 1 34 34 GLU CA C 34 58.238 58.238 59.507 -1.269 25104 6547 1 8 . 1 1 34 34 GLU CB C 34 28.181 28.181 29.641 -1.460 25104 6548 1 8 . 1 1 34 34 GLU H H 34 8.069 8.069 8.284 -0.215 25104 6549 1 8 . 1 1 35 35 ASN N N 35 115.722 115.722 118.842 -3.120 25104 6550 1 8 . 1 1 35 35 ASN HA H 35 4.108 4.108 4.199 -0.091 25104 6551 1 8 . 1 1 35 35 ASN C C 35 175.568 175.568 177.018 -1.450 25104 6552 1 8 . 1 1 35 35 ASN CA C 35 56.768 56.768 56.324 0.444 25104 6553 1 8 . 1 1 35 35 ASN CB C 35 39.644 39.644 37.931 1.712 25104 6554 1 8 . 1 1 35 35 ASN H H 35 7.193 7.193 7.931 -0.738 25104 6555 1 8 . 1 1 36 36 PHE N N 36 117.929 117.929 119.571 -1.642 25104 6556 1 8 . 1 1 36 36 PHE HA H 36 4.158 4.158 4.123 0.035 25104 6557 1 8 . 1 1 36 36 PHE C C 36 179.707 179.707 177.498 2.209 25104 6558 1 8 . 1 1 36 36 PHE CA C 36 61.589 61.589 60.810 0.779 25104 6559 1 8 . 1 1 36 36 PHE CB C 36 39.948 39.948 38.877 1.071 25104 6560 1 8 . 1 1 36 36 PHE H H 36 7.065 7.065 7.321 -0.256 25104 6561 1 8 . 1 1 37 37 ARG N N 37 121.048 121.048 119.926 1.122 25104 6562 1 8 . 1 1 37 37 ARG HA H 37 3.685 3.685 3.772 -0.087 25104 6563 1 8 . 1 1 37 37 ARG C C 37 179.000 179.000 177.919 1.081 25104 6564 1 8 . 1 1 37 37 ARG CA C 37 60.515 60.515 59.817 0.698 25104 6565 1 8 . 1 1 37 37 ARG CB C 37 29.880 29.880 30.175 -0.295 25104 6566 1 8 . 1 1 37 37 ARG H H 37 8.975 8.975 8.124 0.851 25104 6567 1 8 . 1 1 38 38 ALA N N 38 119.232 119.232 121.718 -2.486 25104 6568 1 8 . 1 1 38 38 ALA HA H 38 4.126 4.126 4.134 -0.008 25104 6569 1 8 . 1 1 38 38 ALA C C 38 183.365 183.365 179.984 3.381 25104 6570 1 8 . 1 1 38 38 ALA CA C 38 54.477 54.477 54.595 -0.118 25104 6571 1 8 . 1 1 38 38 ALA CB C 38 18.405 18.405 18.422 -0.017 25104 6572 1 8 . 1 1 38 38 ALA H H 38 8.741 8.741 7.877 0.864 25104 6573 1 8 . 1 1 39 39 LEU N N 39 120.723 120.723 118.432 2.291 25104 6574 1 8 . 1 1 39 39 LEU HA H 39 3.800 3.800 3.801 -0.001 25104 6575 1 8 . 1 1 39 39 LEU C C 39 180.481 180.481 178.727 1.754 25104 6576 1 8 . 1 1 39 39 LEU CA C 39 57.268 57.268 57.556 -0.288 25104 6577 1 8 . 1 1 39 39 LEU CB C 39 41.218 41.218 41.555 -0.337 25104 6578 1 8 . 1 1 39 39 LEU H H 39 8.212 8.212 7.868 0.344 25104 6579 1 8 . 1 1 40 40 SER N N 40 119.210 119.210 114.881 4.329 25104 6580 1 8 . 1 1 40 40 SER HA H 40 4.341 4.341 4.239 0.102 25104 6581 1 8 . 1 1 40 40 SER C C 40 175.380 175.380 176.214 -0.834 25104 6582 1 8 . 1 1 40 40 SER CA C 40 62.924 62.924 61.632 1.292 25104 6583 1 8 . 1 1 40 40 SER CB C 40 62.992 62.992 62.852 0.140 25104 6584 1 8 . 1 1 40 40 SER H H 40 7.938 7.938 7.988 -0.050 25104 6585 1 8 . 1 1 41 41 THR N N 41 108.556 108.556 109.814 -1.258 25104 6586 1 8 . 1 1 41 41 THR HA H 41 4.508 4.508 4.207 0.301 25104 6587 1 8 . 1 1 41 41 THR C C 41 179.088 179.088 176.187 2.901 25104 6588 1 8 . 1 1 41 41 THR CA C 41 62.492 62.492 63.129 -0.637 25104 6589 1 8 . 1 1 41 41 THR CB C 41 69.663 69.663 69.255 0.408 25104 6590 1 8 . 1 1 41 41 THR H H 41 8.017 8.017 7.729 0.288 25104 6591 1 8 . 1 1 42 42 GLY N N 42 108.433 108.433 110.371 -1.938 25104 6592 1 8 . 1 1 42 42 GLY C C 42 178.676 178.676 175.758 2.918 25104 6593 1 8 . 1 1 42 42 GLY CA C 42 45.840 45.840 45.301 0.539 25104 6594 1 8 . 1 1 42 42 GLY H H 42 7.621 7.621 7.706 -0.085 25104 6595 1 8 . 1 1 43 43 GLU N N 43 118.777 118.777 120.525 -1.748 25104 6596 1 8 . 1 1 43 43 GLU HA H 43 4.171 4.171 4.047 0.124 25104 6597 1 8 . 1 1 43 43 GLU C C 43 177.458 177.458 177.377 0.081 25104 6598 1 8 . 1 1 43 43 GLU CA C 43 58.580 58.580 58.145 0.435 25104 6599 1 8 . 1 1 43 43 GLU H H 43 8.049 8.049 8.241 -0.192 25104 6600 1 8 . 1 1 44 44 LYS N N 44 118.526 118.526 115.831 2.695 25104 6601 1 8 . 1 1 44 44 LYS HA H 44 4.342 4.342 4.287 0.055 25104 6602 1 8 . 1 1 44 44 LYS C C 44 177.590 177.590 176.361 1.229 25104 6603 1 8 . 1 1 44 44 LYS CA C 44 54.405 54.405 54.365 0.040 25104 6604 1 8 . 1 1 44 44 LYS CB C 44 30.488 30.488 32.181 -1.693 25104 6605 1 8 . 1 1 44 44 LYS H H 44 9.123 9.123 7.244 1.879 25104 6606 1 8 . 1 1 45 45 GLY N N 45 105.553 105.553 107.983 -2.430 25104 6607 1 8 . 1 1 45 45 GLY C C 45 173.518 173.518 174.860 -1.342 25104 6608 1 8 . 1 1 45 45 GLY CA C 45 44.612 44.612 45.922 -1.310 25104 6609 1 8 . 1 1 45 45 GLY H H 45 7.970 7.970 7.555 0.415 25104 6610 1 8 . 1 1 46 46 PHE N N 46 113.753 113.753 120.160 -6.407 25104 6611 1 8 . 1 1 46 46 PHE HA H 46 4.678 4.678 4.253 0.425 25104 6612 1 8 . 1 1 46 46 PHE C C 46 173.684 173.684 176.682 -2.998 25104 6613 1 8 . 1 1 46 46 PHE CA C 46 54.077 54.077 57.217 -3.140 25104 6614 1 8 . 1 1 46 46 PHE CB C 46 39.658 39.658 38.895 0.763 25104 6615 1 8 . 1 1 46 46 PHE H H 46 6.469 6.469 7.270 -0.801 25104 6616 1 8 . 1 1 47 47 GLY N N 47 104.722 104.722 106.608 -1.886 25104 6617 1 8 . 1 1 47 47 GLY C C 47 172.446 172.446 174.845 -2.399 25104 6618 1 8 . 1 1 47 47 GLY CA C 47 45.601 45.601 45.482 0.119 25104 6619 1 8 . 1 1 47 47 GLY H H 47 7.756 7.756 7.947 -0.191 25104 6620 1 8 . 1 1 48 48 TYR N N 48 113.796 113.796 120.130 -6.334 25104 6621 1 8 . 1 1 48 48 TYR HA H 48 4.270 4.270 4.157 0.113 25104 6622 1 8 . 1 1 48 48 TYR C C 48 178.924 178.924 175.741 3.183 25104 6623 1 8 . 1 1 48 48 TYR CA C 48 57.365 57.365 58.489 -1.124 25104 6624 1 8 . 1 1 48 48 TYR CB C 48 38.832 38.832 37.243 1.589 25104 6625 1 8 . 1 1 48 48 TYR H H 48 6.948 6.948 7.839 -0.891 25104 6626 1 8 . 1 1 49 49 LYS N N 49 124.858 124.858 125.698 -0.840 25104 6627 1 8 . 1 1 49 49 LYS HA H 49 3.655 3.655 4.394 -0.739 25104 6628 1 8 . 1 1 49 49 LYS C C 49 178.388 178.388 176.961 1.427 25104 6629 1 8 . 1 1 49 49 LYS CA C 49 61.018 61.018 55.516 5.502 25104 6630 1 8 . 1 1 49 49 LYS CB C 49 31.484 31.484 32.740 -1.256 25104 6631 1 8 . 1 1 49 49 LYS H H 49 8.493 8.493 8.277 0.216 25104 6632 1 8 . 1 1 50 50 GLY N N 50 117.833 117.833 115.430 2.403 25104 6633 1 8 . 1 1 50 50 GLY C C 50 175.259 175.259 174.235 1.024 25104 6634 1 8 . 1 1 50 50 GLY CA C 50 45.495 45.495 44.884 0.611 25104 6635 1 8 . 1 1 50 50 GLY H H 50 9.509 9.509 8.400 1.109 25104 6636 1 8 . 1 1 51 51 SER N N 51 116.413 116.413 117.005 -0.592 25104 6637 1 8 . 1 1 51 51 SER HA H 51 4.516 4.516 4.288 0.228 25104 6638 1 8 . 1 1 51 51 SER C C 51 172.808 172.808 174.844 -2.036 25104 6639 1 8 . 1 1 51 51 SER CA C 51 59.043 59.043 59.407 -0.364 25104 6640 1 8 . 1 1 51 51 SER CB C 51 63.781 63.781 63.114 0.667 25104 6641 1 8 . 1 1 51 51 SER H H 51 8.436 8.436 8.080 0.356 25104 6642 1 8 . 1 1 52 52 CYS N N 52 115.156 115.156 126.966 -11.810 25104 6643 1 8 . 1 1 52 52 CYS HA H 52 5.932 5.932 4.777 1.155 25104 6644 1 8 . 1 1 52 52 CYS C C 52 177.437 177.437 174.003 3.434 25104 6645 1 8 . 1 1 52 52 CYS CA C 52 55.998 55.998 57.102 -1.104 25104 6646 1 8 . 1 1 52 52 CYS CB C 52 31.953 31.953 27.900 4.053 25104 6647 1 8 . 1 1 52 52 CYS H H 52 9.875 9.875 8.239 1.636 25104 6648 1 8 . 1 1 53 53 PHE N N 53 123.068 123.068 128.925 -5.857 25104 6649 1 8 . 1 1 53 53 PHE HA H 53 4.899 4.899 4.391 0.508 25104 6650 1 8 . 1 1 53 53 PHE C C 53 175.886 175.886 175.286 0.600 25104 6651 1 8 . 1 1 53 53 PHE CA C 53 58.389 58.389 58.807 -0.418 25104 6652 1 8 . 1 1 53 53 PHE CB C 53 39.535 39.535 37.974 1.561 25104 6653 1 8 . 1 1 53 53 PHE H H 53 8.732 8.732 8.736 -0.004 25104 6654 1 8 . 1 1 54 54 HIS N N 54 120.227 120.227 117.529 2.698 25104 6655 1 8 . 1 1 54 54 HIS HA H 54 4.763 4.763 4.941 -0.178 25104 6656 1 8 . 1 1 54 54 HIS C C 54 176.409 176.409 174.254 2.155 25104 6657 1 8 . 1 1 54 54 HIS CA C 54 57.323 57.323 54.749 2.574 25104 6658 1 8 . 1 1 54 54 HIS CB C 54 31.542 31.542 31.348 0.194 25104 6659 1 8 . 1 1 54 54 HIS H H 54 7.696 7.696 7.782 -0.086 25104 6660 1 8 . 1 1 55 55 ARG N N 55 123.202 123.202 120.792 2.410 25104 6661 1 8 . 1 1 55 55 ARG HA H 55 5.118 5.118 5.169 -0.051 25104 6662 1 8 . 1 1 55 55 ARG C C 55 174.511 174.511 173.443 1.068 25104 6663 1 8 . 1 1 55 55 ARG CA C 55 54.913 54.913 55.883 -0.970 25104 6664 1 8 . 1 1 55 55 ARG CB C 55 33.805 33.805 32.190 1.615 25104 6665 1 8 . 1 1 55 55 ARG H H 55 7.089 7.089 7.379 -0.290 25104 6666 1 8 . 1 1 56 56 ILE N N 56 126.621 126.621 125.346 1.275 25104 6667 1 8 . 1 1 56 56 ILE HA H 56 4.659 4.659 4.648 0.011 25104 6668 1 8 . 1 1 56 56 ILE C C 56 174.633 174.633 173.981 0.652 25104 6669 1 8 . 1 1 56 56 ILE CA C 56 61.585 61.585 60.491 1.094 25104 6670 1 8 . 1 1 56 56 ILE CB C 56 41.452 41.452 42.577 -1.125 25104 6671 1 8 . 1 1 56 56 ILE H H 56 9.201 9.201 8.085 1.116 25104 6672 1 8 . 1 1 57 57 ILE N N 57 127.965 127.965 125.203 2.762 25104 6673 1 8 . 1 1 57 57 ILE HA H 57 5.248 5.248 5.296 -0.048 25104 6674 1 8 . 1 1 57 57 ILE CA C 57 57.685 57.685 57.494 0.191 25104 6675 1 8 . 1 1 57 57 ILE CB C 57 40.236 40.236 40.793 -0.557 25104 6676 1 8 . 1 1 57 57 ILE H H 57 8.753 8.753 8.705 0.048 25104 6677 1 8 . 1 1 58 58 PRO HA H 58 4.382 4.382 4.416 -0.034 25104 6678 1 8 . 1 1 58 58 PRO C C 58 178.669 178.669 177.703 0.966 25104 6679 1 8 . 1 1 58 58 PRO CA C 58 63.086 63.086 63.068 0.018 25104 6680 1 8 . 1 1 58 58 PRO CB C 58 31.996 31.996 31.585 0.411 25104 6681 1 8 . 1 1 59 59 GLY N N 59 114.176 114.176 112.614 1.562 25104 6682 1 8 . 1 1 59 59 GLY C C 59 173.281 173.281 173.421 -0.140 25104 6683 1 8 . 1 1 59 59 GLY CA C 59 45.259 45.259 45.867 -0.608 25104 6684 1 8 . 1 1 59 59 GLY H H 59 9.752 9.752 8.829 0.923 25104 6685 1 8 . 1 1 60 60 PHE N N 60 119.241 119.241 118.218 1.023 25104 6686 1 8 . 1 1 60 60 PHE HA H 60 5.153 5.153 4.826 0.327 25104 6687 1 8 . 1 1 60 60 PHE C C 60 174.401 174.401 172.911 1.490 25104 6688 1 8 . 1 1 60 60 PHE CA C 60 56.867 56.867 58.059 -1.192 25104 6689 1 8 . 1 1 60 60 PHE CB C 60 39.954 39.954 41.368 -1.414 25104 6690 1 8 . 1 1 60 60 PHE H H 60 8.196 8.196 7.814 0.382 25104 6691 1 8 . 1 1 61 61 MET N N 61 111.262 111.262 117.017 -5.755 25104 6692 1 8 . 1 1 61 61 MET HA H 61 5.369 5.369 4.904 0.465 25104 6693 1 8 . 1 1 61 61 MET C C 61 175.163 175.163 173.097 2.066 25104 6694 1 8 . 1 1 61 61 MET CA C 61 55.062 55.062 55.133 -0.071 25104 6695 1 8 . 1 1 61 61 MET CB C 61 35.010 35.010 36.673 -1.663 25104 6696 1 8 . 1 1 61 61 MET H H 61 8.128 8.128 8.228 -0.100 25104 6697 1 8 . 1 1 62 62 CYS N N 62 114.848 114.848 121.301 -6.453 25104 6698 1 8 . 1 1 62 62 CYS HA H 62 4.941 4.941 4.938 0.003 25104 6699 1 8 . 1 1 62 62 CYS C C 62 174.075 174.075 172.895 1.180 25104 6700 1 8 . 1 1 62 62 CYS CA C 62 57.485 57.485 56.609 0.876 25104 6701 1 8 . 1 1 62 62 CYS CB C 62 30.392 30.392 28.598 1.794 25104 6702 1 8 . 1 1 62 62 CYS H H 62 8.501 8.501 8.761 -0.260 25104 6703 1 8 . 1 1 63 63 GLN N N 63 126.854 126.854 126.621 0.233 25104 6704 1 8 . 1 1 63 63 GLN HA H 63 5.410 5.410 5.010 0.400 25104 6705 1 8 . 1 1 63 63 GLN C C 63 175.024 175.024 174.357 0.667 25104 6706 1 8 . 1 1 63 63 GLN CA C 63 54.691 54.691 54.224 0.467 25104 6707 1 8 . 1 1 63 63 GLN CB C 63 30.529 30.529 32.493 -1.964 25104 6708 1 8 . 1 1 63 63 GLN H H 63 9.671 9.671 8.357 1.314 25104 6709 1 8 . 1 1 64 64 GLY N N 64 110.745 110.745 110.039 0.706 25104 6710 1 8 . 1 1 64 64 GLY C C 64 174.113 174.113 171.573 2.540 25104 6711 1 8 . 1 1 64 64 GLY CA C 64 44.788 44.788 42.714 2.074 25104 6712 1 8 . 1 1 64 64 GLY H H 64 7.401 7.401 8.241 -0.840 25104 6713 1 8 . 1 1 65 65 GLY N N 65 105.815 105.815 104.683 1.132 25104 6714 1 8 . 1 1 65 65 GLY C C 65 176.175 176.175 171.976 4.199 25104 6715 1 8 . 1 1 65 65 GLY CA C 65 46.659 46.659 45.466 1.193 25104 6716 1 8 . 1 1 65 65 GLY H H 65 9.265 9.265 7.494 1.771 25104 6717 1 8 . 1 1 66 66 ASP N N 66 123.911 123.911 120.975 2.936 25104 6718 1 8 . 1 1 66 66 ASP HA H 66 4.337 4.337 4.784 -0.447 25104 6719 1 8 . 1 1 66 66 ASP C C 66 177.105 177.105 176.540 0.565 25104 6720 1 8 . 1 1 66 66 ASP CA C 66 51.592 51.592 52.812 -1.220 25104 6721 1 8 . 1 1 66 66 ASP CB C 66 38.926 38.926 43.070 -4.144 25104 6722 1 8 . 1 1 66 66 ASP H H 66 9.950 9.950 7.996 1.954 25104 6723 1 8 . 1 1 67 67 PHE N N 67 116.285 116.285 118.839 -2.554 25104 6724 1 8 . 1 1 67 67 PHE HA H 67 4.655 4.655 4.609 0.046 25104 6725 1 8 . 1 1 67 67 PHE C C 67 175.240 175.240 175.838 -0.598 25104 6726 1 8 . 1 1 67 67 PHE CA C 67 55.683 55.683 58.928 -3.245 25104 6727 1 8 . 1 1 67 67 PHE CB C 67 39.480 39.480 40.031 -0.551 25104 6728 1 8 . 1 1 67 67 PHE H H 67 6.660 6.660 8.646 -1.986 25104 6729 1 8 . 1 1 68 68 THR N N 68 109.280 109.280 119.122 -9.842 25104 6730 1 8 . 1 1 68 68 THR HA H 68 4.692 4.692 4.140 0.552 25104 6731 1 8 . 1 1 68 68 THR C C 68 176.514 176.514 174.332 2.182 25104 6732 1 8 . 1 1 68 68 THR CA C 68 61.962 61.962 64.503 -2.541 25104 6733 1 8 . 1 1 68 68 THR CB C 68 68.922 68.922 68.247 0.675 25104 6734 1 8 . 1 1 68 68 THR H H 68 7.400 7.400 7.907 -0.507 25104 6735 1 8 . 1 1 69 69 ARG N N 69 122.125 122.125 122.773 -0.648 25104 6736 1 8 . 1 1 69 69 ARG HA H 69 4.421 4.421 3.775 0.646 25104 6737 1 8 . 1 1 69 69 ARG CA C 69 55.265 55.265 56.940 -1.675 25104 6738 1 8 . 1 1 69 69 ARG CB C 69 31.727 31.727 27.602 4.125 25104 6739 1 8 . 1 1 69 69 ARG H H 69 8.719 8.719 9.022 -0.303 25104 6740 1 8 . 1 1 70 70 HIS N N 70 111.574 111.574 119.455 -7.881 25104 6741 1 8 . 1 1 70 70 HIS HA H 70 4.451 4.451 3.987 0.464 25104 6742 1 8 . 1 1 70 70 HIS C C 70 175.306 175.306 175.208 0.098 25104 6743 1 8 . 1 1 70 70 HIS CA C 70 57.193 57.193 58.950 -1.757 25104 6744 1 8 . 1 1 70 70 HIS CB C 70 28.587 28.587 29.579 -0.992 25104 6745 1 8 . 1 1 70 70 HIS H H 70 6.865 6.865 7.569 -0.704 25104 6746 1 8 . 1 1 71 71 ASN N N 71 112.710 112.710 117.432 -4.722 25104 6747 1 8 . 1 1 71 71 ASN HA H 71 4.673 4.673 4.380 0.293 25104 6748 1 8 . 1 1 71 71 ASN C C 71 176.752 176.752 175.904 0.848 25104 6749 1 8 . 1 1 71 71 ASN CA C 71 52.366 52.366 53.313 -0.947 25104 6750 1 8 . 1 1 71 71 ASN CB C 71 39.036 39.036 37.496 1.540 25104 6751 1 8 . 1 1 71 71 ASN H H 71 7.594 7.594 7.998 -0.404 25104 6752 1 8 . 1 1 72 72 GLY N N 72 110.452 110.452 114.593 -4.141 25104 6753 1 8 . 1 1 72 72 GLY C C 72 176.669 176.669 174.308 2.361 25104 6754 1 8 . 1 1 72 72 GLY CA C 72 44.887 44.887 46.206 -1.319 25104 6755 1 8 . 1 1 72 72 GLY H H 72 9.642 9.642 8.226 1.416 25104 6756 1 8 . 1 1 73 73 THR N N 73 112.024 112.024 115.369 -3.345 25104 6757 1 8 . 1 1 73 73 THR HA H 73 4.541 4.541 4.429 0.112 25104 6758 1 8 . 1 1 73 73 THR C C 73 176.905 176.905 173.257 3.648 25104 6759 1 8 . 1 1 73 73 THR CA C 73 62.235 62.235 63.029 -0.794 25104 6760 1 8 . 1 1 73 73 THR CB C 73 70.677 70.677 70.928 -0.251 25104 6761 1 8 . 1 1 73 73 THR H H 73 7.967 7.967 7.442 0.525 25104 6762 1 8 . 1 1 74 74 GLY N N 74 113.872 113.872 110.837 3.035 25104 6763 1 8 . 1 1 74 74 GLY C C 74 176.149 176.149 174.449 1.700 25104 6764 1 8 . 1 1 74 74 GLY CA C 74 45.126 45.126 45.867 -0.742 25104 6765 1 8 . 1 1 74 74 GLY H H 74 8.711 8.711 7.952 0.759 25104 6766 1 8 . 1 1 75 75 GLY N N 75 109.032 109.032 107.091 1.941 25104 6767 1 8 . 1 1 75 75 GLY C C 75 173.012 173.012 174.049 -1.037 25104 6768 1 8 . 1 1 75 75 GLY CA C 75 43.371 43.371 44.346 -0.975 25104 6769 1 8 . 1 1 75 75 GLY H H 75 8.117 8.117 7.573 0.544 25104 6770 1 8 . 1 1 76 76 LYS N N 76 115.705 115.705 119.257 -3.552 25104 6771 1 8 . 1 1 76 76 LYS HA H 76 4.623 4.623 4.798 -0.175 25104 6772 1 8 . 1 1 76 76 LYS C C 76 173.512 173.512 177.012 -3.500 25104 6773 1 8 . 1 1 76 76 LYS CA C 76 55.975 55.975 56.358 -0.384 25104 6774 1 8 . 1 1 76 76 LYS CB C 76 34.648 34.648 32.857 1.791 25104 6775 1 8 . 1 1 76 76 LYS H H 76 7.034 7.034 7.766 -0.732 25104 6776 1 8 . 1 1 77 77 SER N N 77 114.354 114.354 115.226 -0.872 25104 6777 1 8 . 1 1 77 77 SER HA H 77 5.240 5.240 4.558 0.682 25104 6778 1 8 . 1 1 77 77 SER C C 77 176.746 176.746 175.035 1.711 25104 6779 1 8 . 1 1 77 77 SER CA C 77 57.077 57.077 57.577 -0.500 25104 6780 1 8 . 1 1 77 77 SER CB C 77 69.863 69.863 65.409 4.454 25104 6781 1 8 . 1 1 77 77 SER H H 77 7.793 7.793 8.139 -0.346 25104 6782 1 8 . 1 1 78 78 ILE N N 78 111.394 111.394 114.543 -3.149 25104 6783 1 8 . 1 1 78 78 ILE HA H 78 4.208 4.208 4.251 -0.043 25104 6784 1 8 . 1 1 78 78 ILE C C 78 176.973 176.973 176.575 0.398 25104 6785 1 8 . 1 1 78 78 ILE CA C 78 63.675 63.675 62.838 0.837 25104 6786 1 8 . 1 1 78 78 ILE CB C 78 37.434 37.434 37.984 -0.550 25104 6787 1 8 . 1 1 78 78 ILE H H 78 8.584 8.584 8.424 0.160 25104 6788 1 8 . 1 1 79 79 TYR N N 79 120.757 120.757 119.087 1.670 25104 6789 1 8 . 1 1 79 79 TYR HA H 79 4.718 4.718 4.385 0.333 25104 6790 1 8 . 1 1 79 79 TYR C C 79 176.316 176.316 176.361 -0.045 25104 6791 1 8 . 1 1 79 79 TYR CA C 79 56.216 56.216 59.499 -3.283 25104 6792 1 8 . 1 1 79 79 TYR CB C 79 38.891 38.891 39.087 -0.196 25104 6793 1 8 . 1 1 79 79 TYR H H 79 8.058 8.058 7.738 0.320 25104 6794 1 8 . 1 1 80 80 GLY N N 80 106.521 106.521 105.523 0.998 25104 6795 1 8 . 1 1 80 80 GLY CA C 80 46.021 46.021 45.282 0.739 25104 6796 1 8 . 1 1 80 80 GLY H H 80 7.152 7.152 7.539 -0.387 25104 6797 1 8 . 1 1 81 81 GLU N N 81 122.638 122.638 120.209 2.429 25104 6798 1 8 . 1 1 81 81 GLU HA H 81 4.008 4.008 4.087 -0.079 25104 6799 1 8 . 1 1 81 81 GLU C C 81 176.729 176.729 175.749 0.980 25104 6800 1 8 . 1 1 81 81 GLU CA C 81 60.602 60.602 59.282 1.320 25104 6801 1 8 . 1 1 81 81 GLU CB C 81 29.927 29.927 29.804 0.123 25104 6802 1 8 . 1 1 81 81 GLU H H 81 8.884 8.884 8.523 0.361 25104 6803 1 8 . 1 1 82 82 LYS N N 82 112.369 112.369 113.285 -0.916 25104 6804 1 8 . 1 1 82 82 LYS HA H 82 5.577 5.577 4.711 0.866 25104 6805 1 8 . 1 1 82 82 LYS C C 82 176.495 176.495 174.980 1.515 25104 6806 1 8 . 1 1 82 82 LYS CA C 82 53.906 53.906 55.351 -1.445 25104 6807 1 8 . 1 1 82 82 LYS CB C 82 36.614 36.614 35.770 0.844 25104 6808 1 8 . 1 1 82 82 LYS H H 82 7.845 7.845 7.502 0.343 25104 6809 1 8 . 1 1 83 83 PHE N N 83 116.638 116.638 115.198 1.440 25104 6810 1 8 . 1 1 83 83 PHE HA H 83 5.000 5.000 4.913 0.087 25104 6811 1 8 . 1 1 83 83 PHE C C 83 174.501 174.501 172.602 1.899 25104 6812 1 8 . 1 1 83 83 PHE CA C 83 56.032 56.032 56.472 -0.440 25104 6813 1 8 . 1 1 83 83 PHE CB C 83 41.258 41.258 41.364 -0.106 25104 6814 1 8 . 1 1 83 83 PHE H H 83 9.184 9.184 9.124 0.060 25104 6815 1 8 . 1 1 84 84 GLU N N 84 119.642 119.642 118.633 1.009 25104 6816 1 8 . 1 1 84 84 GLU HA H 84 3.862 3.862 4.115 -0.253 25104 6817 1 8 . 1 1 84 84 GLU C C 84 177.248 177.248 174.806 2.442 25104 6818 1 8 . 1 1 84 84 GLU CA C 84 56.452 56.452 54.224 2.228 25104 6819 1 8 . 1 1 84 84 GLU CB C 84 29.329 29.329 31.140 -1.811 25104 6820 1 8 . 1 1 84 84 GLU H H 84 9.294 9.294 8.226 1.068 25104 6821 1 8 . 1 1 85 85 ASP N N 85 118.870 118.870 120.534 -1.664 25104 6822 1 8 . 1 1 85 85 ASP HA H 85 4.285 4.285 4.418 -0.133 25104 6823 1 8 . 1 1 85 85 ASP C C 85 177.100 177.100 177.024 0.076 25104 6824 1 8 . 1 1 85 85 ASP CA C 85 54.486 54.486 54.002 0.484 25104 6825 1 8 . 1 1 85 85 ASP CB C 85 40.954 40.954 41.449 -0.495 25104 6826 1 8 . 1 1 85 85 ASP H H 85 8.609 8.609 8.135 0.474 25104 6827 1 8 . 1 1 86 86 GLU N N 86 131.636 131.636 124.483 7.153 25104 6828 1 8 . 1 1 86 86 GLU HA H 86 3.851 3.851 4.050 -0.199 25104 6829 1 8 . 1 1 86 86 GLU C C 86 177.266 177.266 175.952 1.314 25104 6830 1 8 . 1 1 86 86 GLU CA C 86 60.354 60.354 59.006 1.348 25104 6831 1 8 . 1 1 86 86 GLU CB C 86 31.877 31.877 30.517 1.361 25104 6832 1 8 . 1 1 86 86 GLU H H 86 9.474 9.474 8.561 0.913 25104 6833 1 8 . 1 1 87 87 ASN N N 87 106.916 106.916 112.849 -5.933 25104 6834 1 8 . 1 1 87 87 ASN HA H 87 4.187 4.187 4.710 -0.523 25104 6835 1 8 . 1 1 87 87 ASN C C 87 171.751 171.751 174.658 -2.907 25104 6836 1 8 . 1 1 87 87 ASN CA C 87 52.828 52.828 52.389 0.439 25104 6837 1 8 . 1 1 87 87 ASN CB C 87 39.490 39.490 39.038 0.452 25104 6838 1 8 . 1 1 87 87 ASN H H 87 7.084 7.084 7.924 -0.840 25104 6839 1 8 . 1 1 88 88 PHE N N 88 113.116 113.116 118.977 -5.861 25104 6840 1 8 . 1 1 88 88 PHE HA H 88 5.964 5.964 4.738 1.226 25104 6841 1 8 . 1 1 88 88 PHE C C 88 178.688 178.688 175.288 3.400 25104 6842 1 8 . 1 1 88 88 PHE CA C 88 55.847 55.847 57.630 -1.783 25104 6843 1 8 . 1 1 88 88 PHE CB C 88 38.876 38.876 37.260 1.616 25104 6844 1 8 . 1 1 88 88 PHE H H 88 8.356 8.356 8.849 -0.493 25104 6845 1 8 . 1 1 89 89 ILE N N 89 119.794 119.794 119.344 0.450 25104 6846 1 8 . 1 1 89 89 ILE HA H 89 3.726 3.726 3.941 -0.215 25104 6847 1 8 . 1 1 89 89 ILE C C 89 178.596 178.596 176.300 2.296 25104 6848 1 8 . 1 1 89 89 ILE CA C 89 64.996 64.996 63.738 1.258 25104 6849 1 8 . 1 1 89 89 ILE CB C 89 39.000 39.000 38.479 0.521 25104 6850 1 8 . 1 1 89 89 ILE H H 89 8.314 8.314 7.441 0.873 25104 6851 1 8 . 1 1 90 90 LEU N N 90 117.361 117.361 120.599 -3.238 25104 6852 1 8 . 1 1 90 90 LEU HA H 90 4.516 4.516 4.306 0.210 25104 6853 1 8 . 1 1 90 90 LEU C C 90 177.345 177.345 175.700 1.645 25104 6854 1 8 . 1 1 90 90 LEU CA C 90 54.196 54.196 53.977 0.219 25104 6855 1 8 . 1 1 90 90 LEU CB C 90 42.100 42.100 40.918 1.182 25104 6856 1 8 . 1 1 90 90 LEU H H 90 7.777 7.777 8.175 -0.398 25104 6857 1 8 . 1 1 91 91 LYS N N 91 119.096 119.096 123.075 -3.979 25104 6858 1 8 . 1 1 91 91 LYS HA H 91 4.635 4.635 4.680 -0.045 25104 6859 1 8 . 1 1 91 91 LYS C C 91 177.296 177.296 176.117 1.179 25104 6860 1 8 . 1 1 91 91 LYS CA C 91 54.689 54.689 54.862 -0.173 25104 6861 1 8 . 1 1 91 91 LYS CB C 91 34.841 34.841 34.355 0.486 25104 6862 1 8 . 1 1 91 91 LYS H H 91 8.086 8.086 8.347 -0.261 25104 6863 1 8 . 1 1 92 92 HIS N N 92 122.578 122.578 120.290 2.288 25104 6864 1 8 . 1 1 92 92 HIS HA H 92 4.408 4.408 4.621 -0.213 25104 6865 1 8 . 1 1 92 92 HIS C C 92 178.794 178.794 174.257 4.537 25104 6866 1 8 . 1 1 92 92 HIS CA C 92 56.886 56.886 56.638 0.248 25104 6867 1 8 . 1 1 92 92 HIS CB C 92 26.041 26.041 28.243 -2.202 25104 6868 1 8 . 1 1 92 92 HIS H H 92 10.736 10.736 8.871 1.865 25104 6869 1 8 . 1 1 93 93 THR N N 93 110.479 110.479 115.914 -5.435 25104 6870 1 8 . 1 1 93 93 THR HA H 93 4.056 4.056 4.421 -0.365 25104 6871 1 8 . 1 1 93 93 THR C C 93 176.456 176.456 172.947 3.509 25104 6872 1 8 . 1 1 93 93 THR CA C 93 63.324 63.324 61.159 2.165 25104 6873 1 8 . 1 1 93 93 THR CB C 93 69.416 69.416 69.196 0.220 25104 6874 1 8 . 1 1 93 93 THR H H 93 7.315 7.315 7.617 -0.302 25104 6875 1 8 . 1 1 94 94 GLY N N 94 107.272 107.272 108.897 -1.625 25104 6876 1 8 . 1 1 94 94 GLY C C 94 178.117 178.117 171.583 6.534 25104 6877 1 8 . 1 1 94 94 GLY H H 94 7.530 7.530 7.423 0.107 25104 6878 1 8 . 1 1 95 95 PRO HA H 95 3.856 3.856 4.624 -0.768 25104 6879 1 8 . 1 1 95 95 PRO CA C 95 62.687 62.687 62.191 0.496 25104 6880 1 8 . 1 1 95 95 PRO CB C 95 32.137 32.137 33.346 -1.209 25104 6881 1 8 . 1 1 96 96 GLY N N 96 110.210 110.210 109.926 0.284 25104 6882 1 8 . 1 1 96 96 GLY C C 96 174.025 174.025 174.936 -0.911 25104 6883 1 8 . 1 1 96 96 GLY CA C 96 45.068 45.068 45.653 -0.585 25104 6884 1 8 . 1 1 96 96 GLY H H 96 9.305 9.305 8.100 1.205 25104 6885 1 8 . 1 1 97 97 ILE N N 97 121.517 121.517 121.936 -0.419 25104 6886 1 8 . 1 1 97 97 ILE HA H 97 4.173 4.173 3.959 0.214 25104 6887 1 8 . 1 1 97 97 ILE C C 97 174.196 174.196 174.940 -0.744 25104 6888 1 8 . 1 1 97 97 ILE CA C 97 59.398 59.398 60.458 -1.060 25104 6889 1 8 . 1 1 97 97 ILE CB C 97 37.922 37.922 35.545 2.377 25104 6890 1 8 . 1 1 97 97 ILE H H 97 6.826 6.826 7.786 -0.960 25104 6891 1 8 . 1 1 98 98 LEU N N 98 128.948 128.948 131.934 -2.986 25104 6892 1 8 . 1 1 98 98 LEU HA H 98 5.010 5.010 4.811 0.199 25104 6893 1 8 . 1 1 98 98 LEU C C 98 175.316 175.316 174.694 0.622 25104 6894 1 8 . 1 1 98 98 LEU CA C 98 53.350 53.350 53.545 -0.195 25104 6895 1 8 . 1 1 98 98 LEU CB C 98 43.813 43.813 43.295 0.518 25104 6896 1 8 . 1 1 98 98 LEU H H 98 7.907 7.907 8.181 -0.274 25104 6897 1 8 . 1 1 99 99 SER N N 99 118.834 118.834 119.983 -1.149 25104 6898 1 8 . 1 1 99 99 SER HA H 99 5.346 5.346 3.778 1.568 25104 6899 1 8 . 1 1 99 99 SER C C 99 175.732 175.732 172.655 3.077 25104 6900 1 8 . 1 1 99 99 SER CA C 99 55.011 55.011 55.685 -0.674 25104 6901 1 8 . 1 1 99 99 SER CB C 99 65.370 65.370 65.553 -0.183 25104 6902 1 8 . 1 1 99 99 SER H H 99 8.307 8.307 8.222 0.085 25104 6903 1 8 . 1 1 100 100 MET N N 100 123.079 123.079 120.989 2.090 25104 6904 1 8 . 1 1 100 100 MET HA H 100 5.338 5.338 4.722 0.616 25104 6905 1 8 . 1 1 100 100 MET C C 100 178.920 178.920 176.826 2.094 25104 6906 1 8 . 1 1 100 100 MET CA C 100 53.853 53.853 55.927 -2.074 25104 6907 1 8 . 1 1 100 100 MET H H 100 8.563 8.563 8.700 -0.137 25104 6908 1 8 . 1 1 101 101 ALA N N 101 126.225 126.225 125.335 0.890 25104 6909 1 8 . 1 1 101 101 ALA HA H 101 4.362 4.362 4.737 -0.375 25104 6910 1 8 . 1 1 101 101 ALA C C 101 176.471 176.471 176.371 0.100 25104 6911 1 8 . 1 1 101 101 ALA CA C 101 51.743 51.743 52.764 -1.021 25104 6912 1 8 . 1 1 101 101 ALA CB C 101 19.619 19.619 19.527 0.092 25104 6913 1 8 . 1 1 101 101 ALA H H 101 8.114 8.114 8.509 -0.395 25104 6914 1 8 . 1 1 102 102 ASN N N 102 113.398 113.398 115.328 -1.930 25104 6915 1 8 . 1 1 102 102 ASN HA H 102 4.647 4.647 4.942 -0.295 25104 6916 1 8 . 1 1 102 102 ASN C C 102 174.740 174.740 174.097 0.643 25104 6917 1 8 . 1 1 102 102 ASN CA C 102 54.102 54.102 52.950 1.153 25104 6918 1 8 . 1 1 102 102 ASN CB C 102 40.597 40.597 40.340 0.257 25104 6919 1 8 . 1 1 102 102 ASN H H 102 8.062 8.062 8.396 -0.334 25104 6920 1 8 . 1 1 103 103 ALA N N 103 123.487 123.487 120.643 2.844 25104 6921 1 8 . 1 1 103 103 ALA HA H 103 4.868 4.868 4.633 0.235 25104 6922 1 8 . 1 1 103 103 ALA C C 103 177.823 177.823 176.104 1.719 25104 6923 1 8 . 1 1 103 103 ALA CA C 103 50.380 50.380 51.695 -1.315 25104 6924 1 8 . 1 1 103 103 ALA CB C 103 19.295 19.295 19.719 -0.424 25104 6925 1 8 . 1 1 103 103 ALA H H 103 8.822 8.822 8.417 0.405 25104 6926 1 8 . 1 1 104 104 GLY N N 104 109.271 109.271 107.479 1.792 25104 6927 1 8 . 1 1 104 104 GLY CA C 104 43.559 43.559 45.040 -1.481 25104 6928 1 8 . 1 1 104 104 GLY H H 104 8.181 8.181 7.701 0.480 25104 6929 1 8 . 1 1 105 105 PRO HA H 105 4.385 4.385 4.446 -0.061 25104 6930 1 8 . 1 1 105 105 PRO C C 105 177.209 177.209 176.586 0.623 25104 6931 1 8 . 1 1 105 105 PRO CA C 105 63.976 63.976 63.286 0.690 25104 6932 1 8 . 1 1 105 105 PRO CB C 105 32.136 32.136 32.005 0.131 25104 6933 1 8 . 1 1 106 106 ASN N N 106 119.146 119.146 118.537 0.609 25104 6934 1 8 . 1 1 106 106 ASN HA H 106 4.052 4.052 4.332 -0.280 25104 6935 1 8 . 1 1 106 106 ASN C C 106 175.857 175.857 174.801 1.056 25104 6936 1 8 . 1 1 106 106 ASN CA C 106 54.279 54.279 54.740 -0.461 25104 6937 1 8 . 1 1 106 106 ASN CB C 106 37.248 37.248 37.831 -0.583 25104 6938 1 8 . 1 1 106 106 ASN H H 106 8.912 8.912 8.848 0.064 25104 6939 1 8 . 1 1 107 107 THR N N 107 110.101 110.101 111.679 -1.578 25104 6940 1 8 . 1 1 107 107 THR HA H 107 4.493 4.493 4.386 0.107 25104 6941 1 8 . 1 1 107 107 THR C C 107 174.713 174.713 172.987 1.726 25104 6942 1 8 . 1 1 107 107 THR CA C 107 60.294 60.294 61.847 -1.554 25104 6943 1 8 . 1 1 107 107 THR CB C 107 69.030 69.030 69.338 -0.308 25104 6944 1 8 . 1 1 107 107 THR H H 107 10.191 10.191 7.658 2.533 25104 6945 1 8 . 1 1 108 108 ASN N N 108 120.592 120.592 119.671 0.921 25104 6946 1 8 . 1 1 108 108 ASN HA H 108 4.210 4.210 4.658 -0.448 25104 6947 1 8 . 1 1 108 108 ASN C C 108 175.078 175.078 174.992 0.086 25104 6948 1 8 . 1 1 108 108 ASN CA C 108 55.287 55.287 52.439 2.848 25104 6949 1 8 . 1 1 108 108 ASN CB C 108 39.036 39.036 39.479 -0.443 25104 6950 1 8 . 1 1 108 108 ASN H H 108 7.410 7.410 7.279 0.131 25104 6951 1 8 . 1 1 109 109 GLY N N 109 110.835 110.835 111.204 -0.369 25104 6952 1 8 . 1 1 109 109 GLY C C 109 172.087 172.087 172.839 -0.752 25104 6953 1 8 . 1 1 109 109 GLY CA C 109 45.940 45.940 45.697 0.243 25104 6954 1 8 . 1 1 109 109 GLY H H 109 9.192 9.192 8.362 0.830 25104 6955 1 8 . 1 1 110 110 SER N N 110 117.149 117.149 116.172 0.977 25104 6956 1 8 . 1 1 110 110 SER HA H 110 4.751 4.751 5.016 -0.265 25104 6957 1 8 . 1 1 110 110 SER C C 110 177.075 177.075 174.157 2.918 25104 6958 1 8 . 1 1 110 110 SER CA C 110 57.526 57.526 57.009 0.517 25104 6959 1 8 . 1 1 110 110 SER CB C 110 66.180 66.180 65.941 0.239 25104 6960 1 8 . 1 1 110 110 SER H H 110 8.793 8.793 7.616 1.177 25104 6961 1 8 . 1 1 111 111 GLN N N 111 124.594 124.594 120.183 4.411 25104 6962 1 8 . 1 1 111 111 GLN HA H 111 4.225 4.225 4.153 0.072 25104 6963 1 8 . 1 1 111 111 GLN C C 111 179.174 179.174 175.268 3.906 25104 6964 1 8 . 1 1 111 111 GLN CA C 111 58.144 58.144 57.828 0.317 25104 6965 1 8 . 1 1 111 111 GLN CB C 111 31.558 31.558 28.767 2.791 25104 6966 1 8 . 1 1 111 111 GLN H H 111 8.438 8.438 8.081 0.357 25104 6967 1 8 . 1 1 112 112 PHE N N 112 118.008 118.008 113.511 4.497 25104 6968 1 8 . 1 1 112 112 PHE HA H 112 5.806 5.806 5.079 0.727 25104 6969 1 8 . 1 1 112 112 PHE C C 112 172.840 172.840 173.195 -0.355 25104 6970 1 8 . 1 1 112 112 PHE CA C 112 55.584 55.584 56.392 -0.808 25104 6971 1 8 . 1 1 112 112 PHE CB C 112 43.323 43.323 42.313 1.010 25104 6972 1 8 . 1 1 112 112 PHE H H 112 8.120 8.120 8.243 -0.123 25104 6973 1 8 . 1 1 113 113 PHE N N 113 116.406 116.406 115.139 1.267 25104 6974 1 8 . 1 1 113 113 PHE HA H 113 5.739 5.739 5.289 0.450 25104 6975 1 8 . 1 1 113 113 PHE C C 113 175.349 175.349 173.217 2.132 25104 6976 1 8 . 1 1 113 113 PHE CA C 113 54.684 54.684 55.701 -1.017 25104 6977 1 8 . 1 1 113 113 PHE CB C 113 42.825 42.825 42.688 0.137 25104 6978 1 8 . 1 1 113 113 PHE H H 113 9.832 9.832 8.747 1.085 25104 6979 1 8 . 1 1 114 114 ILE N N 114 118.683 118.683 120.483 -1.800 25104 6980 1 8 . 1 1 114 114 ILE HA H 114 4.842 4.842 5.085 -0.243 25104 6981 1 8 . 1 1 114 114 ILE C C 114 178.414 178.414 175.486 2.928 25104 6982 1 8 . 1 1 114 114 ILE CA C 114 60.265 60.265 59.640 0.625 25104 6983 1 8 . 1 1 114 114 ILE CB C 114 40.466 40.466 40.440 0.026 25104 6984 1 8 . 1 1 114 114 ILE H H 114 9.156 9.156 8.651 0.505 25104 6985 1 8 . 1 1 115 115 CYS N N 115 125.524 125.524 126.256 -0.732 25104 6986 1 8 . 1 1 115 115 CYS HA H 115 4.808 4.808 5.056 -0.248 25104 6987 1 8 . 1 1 115 115 CYS C C 115 177.658 177.658 176.189 1.469 25104 6988 1 8 . 1 1 115 115 CYS CA C 115 60.803 60.803 56.375 4.428 25104 6989 1 8 . 1 1 115 115 CYS CB C 115 28.723 28.723 28.335 0.388 25104 6990 1 8 . 1 1 115 115 CYS H H 115 9.616 9.616 8.543 1.073 25104 6991 1 8 . 1 1 116 116 THR N N 116 115.801 115.801 117.759 -1.958 25104 6992 1 8 . 1 1 116 116 THR HA H 116 4.380 4.380 4.166 0.214 25104 6993 1 8 . 1 1 116 116 THR C C 116 178.496 178.496 174.852 3.644 25104 6994 1 8 . 1 1 116 116 THR CA C 116 60.844 60.844 63.643 -2.799 25104 6995 1 8 . 1 1 116 116 THR CB C 116 66.730 66.730 68.950 -2.220 25104 6996 1 8 . 1 1 116 116 THR H H 116 8.990 8.990 8.621 0.369 25104 6997 1 8 . 1 1 117 117 ALA N N 117 122.356 122.356 124.331 -1.975 25104 6998 1 8 . 1 1 117 117 ALA HA H 117 4.420 4.420 4.589 -0.169 25104 6999 1 8 . 1 1 117 117 ALA C C 117 176.114 176.114 175.715 0.399 25104 7000 1 8 . 1 1 117 117 ALA CA C 117 50.668 50.668 50.384 0.284 25104 7001 1 8 . 1 1 117 117 ALA CB C 117 22.795 22.795 20.662 2.133 25104 7002 1 8 . 1 1 117 117 ALA H H 117 7.641 7.641 7.588 0.053 25104 7003 1 8 . 1 1 118 118 LYS N N 118 119.855 119.855 119.236 0.619 25104 7004 1 8 . 1 1 118 118 LYS HA H 118 3.840 3.840 4.397 -0.557 25104 7005 1 8 . 1 1 118 118 LYS C C 118 177.211 177.211 176.160 1.051 25104 7006 1 8 . 1 1 118 118 LYS CA C 118 57.913 57.913 55.933 1.980 25104 7007 1 8 . 1 1 118 118 LYS CB C 118 32.708 32.708 30.578 2.131 25104 7008 1 8 . 1 1 118 118 LYS H H 118 8.693 8.693 8.525 0.168 25104 7009 1 8 . 1 1 119 119 THR N N 119 119.004 119.004 115.121 3.883 25104 7010 1 8 . 1 1 119 119 THR HA H 119 3.730 3.730 3.333 0.397 25104 7011 1 8 . 1 1 119 119 THR C C 119 177.928 177.928 174.720 3.208 25104 7012 1 8 . 1 1 119 119 THR CA C 119 57.301 57.301 60.226 -2.925 25104 7013 1 8 . 1 1 119 119 THR CB C 119 68.717 68.717 67.844 0.873 25104 7014 1 8 . 1 1 119 119 THR H H 119 7.373 7.373 8.021 -0.648 25104 7015 1 8 . 1 1 120 120 GLU N N 120 124.713 124.713 123.816 0.897 25104 7016 1 8 . 1 1 120 120 GLU HA H 120 4.162 4.162 4.385 -0.223 25104 7017 1 8 . 1 1 120 120 GLU C C 120 178.190 178.190 177.607 0.583 25104 7018 1 8 . 1 1 120 120 GLU CA C 120 59.334 59.334 57.906 1.428 25104 7019 1 8 . 1 1 120 120 GLU CB C 120 29.322 29.322 29.534 -0.212 25104 7020 1 8 . 1 1 120 120 GLU H H 120 9.139 9.139 7.543 1.596 25104 7021 1 8 . 1 1 121 121 TRP N N 121 117.782 117.782 116.492 1.290 25104 7022 1 8 . 1 1 121 121 TRP HA H 121 4.716 4.716 4.519 0.197 25104 7023 1 8 . 1 1 121 121 TRP C C 121 177.244 177.244 176.476 0.768 25104 7024 1 8 . 1 1 121 121 TRP CA C 121 59.748 59.748 57.147 2.601 25104 7025 1 8 . 1 1 121 121 TRP CB C 121 26.947 26.947 28.560 -1.613 25104 7026 1 8 . 1 1 121 121 TRP H H 121 7.297 7.297 7.451 -0.154 25104 7027 1 8 . 1 1 122 122 LEU N N 122 119.806 119.806 119.156 0.650 25104 7028 1 8 . 1 1 122 122 LEU HA H 122 4.315 4.315 4.368 -0.053 25104 7029 1 8 . 1 1 122 122 LEU C C 122 173.304 173.304 176.560 -3.256 25104 7030 1 8 . 1 1 122 122 LEU CA C 122 54.543 54.543 54.170 0.372 25104 7031 1 8 . 1 1 122 122 LEU CB C 122 39.075 39.075 40.486 -1.411 25104 7032 1 8 . 1 1 122 122 LEU H H 122 7.037 7.037 6.894 0.143 25104 7033 1 8 . 1 1 123 123 ASP N N 123 122.205 122.205 121.514 0.691 25104 7034 1 8 . 1 1 123 123 ASP HA H 123 5.222 5.222 4.707 0.515 25104 7035 1 8 . 1 1 123 123 ASP C C 123 179.276 179.276 177.063 2.213 25104 7036 1 8 . 1 1 123 123 ASP CA C 123 55.889 55.889 55.797 0.091 25104 7037 1 8 . 1 1 123 123 ASP CB C 123 39.517 39.517 40.332 -0.815 25104 7038 1 8 . 1 1 123 123 ASP H H 123 7.643 7.643 7.573 0.070 25104 7039 1 8 . 1 1 124 124 GLY N N 124 111.205 111.205 112.545 -1.340 25104 7040 1 8 . 1 1 124 124 GLY C C 124 173.148 173.148 174.029 -0.881 25104 7041 1 8 . 1 1 124 124 GLY CA C 124 45.114 45.114 44.836 0.278 25104 7042 1 8 . 1 1 124 124 GLY H H 124 9.550 9.550 8.760 0.790 25104 7043 1 8 . 1 1 125 125 LYS N N 125 115.408 115.408 121.038 -5.630 25104 7044 1 8 . 1 1 125 125 LYS HA H 125 4.173 4.173 4.534 -0.361 25104 7045 1 8 . 1 1 125 125 LYS C C 125 176.351 176.351 175.777 0.574 25104 7046 1 8 . 1 1 125 125 LYS CA C 125 56.341 56.341 55.147 1.194 25104 7047 1 8 . 1 1 125 125 LYS CB C 125 35.504 35.504 34.264 1.240 25104 7048 1 8 . 1 1 125 125 LYS H H 125 7.765 7.765 7.627 0.138 25104 7049 1 8 . 1 1 126 126 HIS N N 126 119.526 119.526 120.538 -1.012 25104 7050 1 8 . 1 1 126 126 HIS HA H 126 4.863 4.863 4.617 0.246 25104 7051 1 8 . 1 1 126 126 HIS C C 126 174.784 174.784 176.187 -1.403 25104 7052 1 8 . 1 1 126 126 HIS CA C 126 54.923 54.923 55.981 -1.058 25104 7053 1 8 . 1 1 126 126 HIS CB C 126 31.675 31.675 30.496 1.179 25104 7054 1 8 . 1 1 126 126 HIS H H 126 7.600 7.600 8.659 -1.059 25104 7055 1 8 . 1 1 127 127 VAL N N 127 125.009 125.009 127.863 -2.854 25104 7056 1 8 . 1 1 127 127 VAL HA H 127 4.307 4.307 3.964 0.343 25104 7057 1 8 . 1 1 127 127 VAL C C 127 176.442 176.442 175.973 0.469 25104 7058 1 8 . 1 1 127 127 VAL CA C 127 63.893 63.893 64.977 -1.084 25104 7059 1 8 . 1 1 127 127 VAL CB C 127 33.553 33.553 32.180 1.373 25104 7060 1 8 . 1 1 127 127 VAL H H 127 8.523 8.523 8.146 0.377 25104 7061 1 8 . 1 1 128 128 VAL N N 128 133.065 133.065 123.639 9.426 25104 7062 1 8 . 1 1 128 128 VAL HA H 128 4.176 4.176 3.453 0.723 25104 7063 1 8 . 1 1 128 128 VAL C C 128 176.113 176.113 175.483 0.630 25104 7064 1 8 . 1 1 128 128 VAL CA C 128 63.172 63.172 63.856 -0.684 25104 7065 1 8 . 1 1 128 128 VAL CB C 128 31.612 31.612 31.849 -0.237 25104 7066 1 8 . 1 1 128 128 VAL H H 128 9.474 9.474 8.030 1.444 25104 7067 1 8 . 1 1 129 129 PHE N N 129 117.892 117.892 117.912 -0.020 25104 7068 1 8 . 1 1 129 129 PHE HA H 129 5.308 5.308 4.986 0.322 25104 7069 1 8 . 1 1 129 129 PHE C C 129 173.725 173.725 174.315 -0.590 25104 7070 1 8 . 1 1 129 129 PHE CA C 129 55.969 55.969 56.947 -0.978 25104 7071 1 8 . 1 1 129 129 PHE CB C 129 42.581 42.581 40.961 1.620 25104 7072 1 8 . 1 1 129 129 PHE H H 129 8.138 8.138 7.691 0.447 25104 7073 1 8 . 1 1 130 130 GLY N N 130 110.747 110.747 106.792 3.955 25104 7074 1 8 . 1 1 130 130 GLY C C 130 171.591 171.591 171.965 -0.374 25104 7075 1 8 . 1 1 130 130 GLY CA C 130 46.505 46.505 43.671 2.834 25104 7076 1 8 . 1 1 130 130 GLY H H 130 7.356 7.356 7.465 -0.109 25104 7077 1 8 . 1 1 131 131 LYS N N 131 115.453 115.453 121.842 -6.389 25104 7078 1 8 . 1 1 131 131 LYS HA H 131 5.246 5.246 4.955 0.291 25104 7079 1 8 . 1 1 131 131 LYS C C 131 176.109 176.109 175.354 0.755 25104 7080 1 8 . 1 1 131 131 LYS CA C 131 54.887 54.887 55.326 -0.439 25104 7081 1 8 . 1 1 131 131 LYS CB C 131 36.077 36.077 36.794 -0.717 25104 7082 1 8 . 1 1 131 131 LYS H H 131 8.390 8.390 7.898 0.492 25104 7083 1 8 . 1 1 132 132 VAL N N 132 124.311 124.311 128.060 -3.749 25104 7084 1 8 . 1 1 132 132 VAL HA H 132 3.955 3.955 3.813 0.142 25104 7085 1 8 . 1 1 132 132 VAL C C 132 176.489 176.489 176.515 -0.026 25104 7086 1 8 . 1 1 132 132 VAL CA C 132 64.284 64.284 63.851 0.433 25104 7087 1 8 . 1 1 132 132 VAL CB C 132 32.709 32.709 30.181 2.528 25104 7088 1 8 . 1 1 132 132 VAL H H 132 9.071 9.071 8.529 0.542 25104 7089 1 8 . 1 1 133 133 LYS N N 133 131.670 131.670 127.924 3.746 25104 7090 1 8 . 1 1 133 133 LYS HA H 133 4.483 4.483 4.271 0.212 25104 7091 1 8 . 1 1 133 133 LYS C C 133 176.283 176.283 176.784 -0.501 25104 7092 1 8 . 1 1 133 133 LYS CA C 133 56.978 56.978 57.595 -0.617 25104 7093 1 8 . 1 1 133 133 LYS CB C 133 34.028 34.028 33.289 0.739 25104 7094 1 8 . 1 1 133 133 LYS H H 133 9.494 9.494 8.243 1.251 25104 7095 1 8 . 1 1 134 134 GLU N N 134 118.417 118.417 119.405 -0.988 25104 7096 1 8 . 1 1 134 134 GLU HA H 134 4.639 4.639 4.498 0.141 25104 7097 1 8 . 1 1 134 134 GLU C C 134 175.925 175.925 175.686 0.239 25104 7098 1 8 . 1 1 134 134 GLU CA C 134 55.235 55.235 55.819 -0.584 25104 7099 1 8 . 1 1 134 134 GLU CB C 134 32.909 32.909 32.484 0.425 25104 7100 1 8 . 1 1 134 134 GLU H H 134 7.571 7.571 7.481 0.090 25104 7101 1 8 . 1 1 135 135 GLY N N 135 108.109 108.109 110.174 -2.065 25104 7102 1 8 . 1 1 135 135 GLY C C 135 178.060 178.060 175.396 2.664 25104 7103 1 8 . 1 1 135 135 GLY CA C 135 46.195 46.195 45.443 0.752 25104 7104 1 8 . 1 1 135 135 GLY H H 135 8.695 8.695 8.974 -0.279 25104 7105 1 8 . 1 1 136 136 MET N N 136 122.582 122.582 119.715 2.867 25104 7106 1 8 . 1 1 136 136 MET HA H 136 4.496 4.496 3.999 0.497 25104 7107 1 8 . 1 1 136 136 MET C C 136 178.649 178.649 176.862 1.787 25104 7108 1 8 . 1 1 136 136 MET CA C 136 56.829 56.829 57.920 -1.091 25104 7109 1 8 . 1 1 136 136 MET CB C 136 30.215 30.215 32.575 -2.360 25104 7110 1 8 . 1 1 136 136 MET H H 136 8.854 8.854 8.379 0.475 25104 7111 1 8 . 1 1 137 137 ASN N N 137 114.457 114.457 116.523 -2.066 25104 7112 1 8 . 1 1 137 137 ASN HA H 137 4.504 4.504 4.701 -0.197 25104 7113 1 8 . 1 1 137 137 ASN C C 137 178.441 178.441 177.717 0.724 25104 7114 1 8 . 1 1 137 137 ASN CA C 137 55.819 55.819 56.289 -0.470 25104 7115 1 8 . 1 1 137 137 ASN CB C 137 36.016 36.016 37.938 -1.922 25104 7116 1 8 . 1 1 137 137 ASN H H 137 8.932 8.932 8.543 0.389 25104 7117 1 8 . 1 1 138 138 ILE N N 138 124.190 124.190 119.313 4.877 25104 7118 1 8 . 1 1 138 138 ILE HA H 138 3.800 3.800 3.862 -0.062 25104 7119 1 8 . 1 1 138 138 ILE C C 138 178.595 178.595 177.590 1.005 25104 7120 1 8 . 1 1 138 138 ILE CA C 138 61.581 61.581 62.912 -1.331 25104 7121 1 8 . 1 1 138 138 ILE CB C 138 34.468 34.468 36.691 -2.223 25104 7122 1 8 . 1 1 138 138 ILE H H 138 7.686 7.686 7.698 -0.012 25104 7123 1 8 . 1 1 139 139 VAL N N 139 121.912 121.912 120.708 1.204 25104 7124 1 8 . 1 1 139 139 VAL HA H 139 3.879 3.879 3.531 0.348 25104 7125 1 8 . 1 1 139 139 VAL C C 139 179.051 179.051 178.276 0.775 25104 7126 1 8 . 1 1 139 139 VAL CA C 139 66.206 66.206 67.115 -0.909 25104 7127 1 8 . 1 1 139 139 VAL CB C 139 31.195 31.195 31.359 -0.164 25104 7128 1 8 . 1 1 139 139 VAL H H 139 7.286 7.286 7.676 -0.390 25104 7129 1 8 . 1 1 140 140 GLU N N 140 117.357 117.357 118.866 -1.509 25104 7130 1 8 . 1 1 140 140 GLU HA H 140 4.095 4.095 4.039 0.056 25104 7131 1 8 . 1 1 140 140 GLU C C 140 180.486 180.486 178.163 2.323 25104 7132 1 8 . 1 1 140 140 GLU CA C 140 59.336 59.336 59.155 0.181 25104 7133 1 8 . 1 1 140 140 GLU CB C 140 30.199 30.199 29.331 0.869 25104 7134 1 8 . 1 1 140 140 GLU H H 140 8.309 8.309 8.105 0.204 25104 7135 1 8 . 1 1 141 141 ALA N N 141 121.133 121.133 121.072 0.061 25104 7136 1 8 . 1 1 141 141 ALA HA H 141 4.118 4.118 4.232 -0.114 25104 7137 1 8 . 1 1 141 141 ALA C C 141 181.524 181.524 180.112 1.412 25104 7138 1 8 . 1 1 141 141 ALA CA C 141 54.771 54.771 54.748 0.023 25104 7139 1 8 . 1 1 141 141 ALA CB C 141 18.207 18.207 18.773 -0.567 25104 7140 1 8 . 1 1 141 141 ALA H H 141 7.539 7.539 7.654 -0.115 25104 7141 1 8 . 1 1 142 142 MET N N 142 117.513 117.513 117.371 0.142 25104 7142 1 8 . 1 1 142 142 MET HA H 142 3.993 3.993 4.611 -0.618 25104 7143 1 8 . 1 1 142 142 MET C C 142 178.862 178.862 178.511 0.351 25104 7144 1 8 . 1 1 142 142 MET CA C 142 59.678 59.678 58.825 0.853 25104 7145 1 8 . 1 1 142 142 MET CB C 142 33.723 33.723 32.171 1.552 25104 7146 1 8 . 1 1 142 142 MET H H 142 8.284 8.284 8.262 0.022 25104 7147 1 8 . 1 1 143 143 GLU N N 143 116.365 116.365 120.387 -4.022 25104 7148 1 8 . 1 1 143 143 GLU HA H 143 3.772 3.772 4.062 -0.290 25104 7149 1 8 . 1 1 143 143 GLU C C 143 179.051 179.051 178.758 0.293 25104 7150 1 8 . 1 1 143 143 GLU CA C 143 59.345 59.345 59.307 0.038 25104 7151 1 8 . 1 1 143 143 GLU CB C 143 30.470 30.470 29.512 0.958 25104 7152 1 8 . 1 1 143 143 GLU H H 143 7.853 7.853 8.113 -0.260 25104 7153 1 8 . 1 1 144 144 ARG N N 144 114.753 114.753 117.357 -2.604 25104 7154 1 8 . 1 1 144 144 ARG HA H 144 3.978 3.978 4.118 -0.140 25104 7155 1 8 . 1 1 144 144 ARG C C 144 178.222 178.222 177.755 0.467 25104 7156 1 8 . 1 1 144 144 ARG CA C 144 57.669 57.669 57.543 0.126 25104 7157 1 8 . 1 1 144 144 ARG CB C 144 29.523 29.523 30.252 -0.729 25104 7158 1 8 . 1 1 144 144 ARG H H 144 7.082 7.082 7.414 -0.332 25104 7159 1 8 . 1 1 145 145 PHE N N 145 115.388 115.388 117.460 -2.072 25104 7160 1 8 . 1 1 145 145 PHE HA H 145 4.851 4.851 4.491 0.360 25104 7161 1 8 . 1 1 145 145 PHE C C 145 176.868 176.868 175.448 1.420 25104 7162 1 8 . 1 1 145 145 PHE CA C 145 57.717 57.717 59.061 -1.344 25104 7163 1 8 . 1 1 145 145 PHE CB C 145 38.998 38.998 38.656 0.342 25104 7164 1 8 . 1 1 145 145 PHE H H 145 7.651 7.651 7.500 0.151 25104 7165 1 8 . 1 1 146 146 GLY N N 146 104.842 104.842 106.964 -2.122 25104 7166 1 8 . 1 1 146 146 GLY C C 146 172.946 172.946 173.481 -0.535 25104 7167 1 8 . 1 1 146 146 GLY CA C 146 44.065 44.065 44.191 -0.126 25104 7168 1 8 . 1 1 146 146 GLY H H 146 7.551 7.551 7.554 -0.003 25104 7169 1 8 . 1 1 147 147 SER N N 147 110.079 110.079 113.088 -3.009 25104 7170 1 8 . 1 1 147 147 SER HA H 147 4.813 4.813 4.788 0.025 25104 7171 1 8 . 1 1 147 147 SER C C 147 176.384 176.384 175.909 0.475 25104 7172 1 8 . 1 1 147 147 SER CA C 147 58.165 58.165 56.142 2.023 25104 7173 1 8 . 1 1 147 147 SER CB C 147 65.804 65.804 64.842 0.962 25104 7174 1 8 . 1 1 147 147 SER H H 147 8.229 8.229 8.365 -0.136 25104 7175 1 8 . 1 1 148 148 ARG N N 148 120.299 120.299 122.018 -1.719 25104 7176 1 8 . 1 1 148 148 ARG HA H 148 4.221 4.221 4.227 -0.006 25104 7177 1 8 . 1 1 148 148 ARG C C 148 177.709 177.709 177.120 0.589 25104 7178 1 8 . 1 1 148 148 ARG CA C 148 59.810 59.810 58.140 1.670 25104 7179 1 8 . 1 1 148 148 ARG CB C 148 29.896 29.896 29.778 0.118 25104 7180 1 8 . 1 1 148 148 ARG H H 148 8.850 8.850 8.767 0.083 25104 7181 1 8 . 1 1 149 149 ASN N N 149 111.689 111.689 115.766 -4.077 25104 7182 1 8 . 1 1 149 149 ASN HA H 149 4.901 4.901 4.664 0.237 25104 7183 1 8 . 1 1 149 149 ASN C C 149 177.708 177.708 176.108 1.600 25104 7184 1 8 . 1 1 149 149 ASN CA C 149 52.305 52.305 52.769 -0.464 25104 7185 1 8 . 1 1 149 149 ASN CB C 149 38.477 38.477 37.976 0.501 25104 7186 1 8 . 1 1 149 149 ASN H H 149 7.891 7.891 7.881 0.010 25104 7187 1 8 . 1 1 150 150 GLY N N 150 110.138 110.138 108.447 1.691 25104 7188 1 8 . 1 1 150 150 GLY C C 150 174.368 174.368 173.466 0.902 25104 7189 1 8 . 1 1 150 150 GLY CA C 150 45.257 45.257 45.196 0.061 25104 7190 1 8 . 1 1 150 150 GLY H H 150 8.087 8.087 7.968 0.119 25104 7191 1 8 . 1 1 151 151 LYS N N 151 119.859 119.859 120.358 -0.499 25104 7192 1 8 . 1 1 151 151 LYS HA H 151 4.466 4.466 4.538 -0.072 25104 7193 1 8 . 1 1 151 151 LYS C C 151 179.533 179.533 175.346 4.187 25104 7194 1 8 . 1 1 151 151 LYS CA C 151 57.088 57.088 55.289 1.799 25104 7195 1 8 . 1 1 151 151 LYS CB C 151 32.435 32.435 34.706 -2.271 25104 7196 1 8 . 1 1 151 151 LYS H H 151 7.534 7.534 7.718 -0.184 25104 7197 1 8 . 1 1 152 152 THR N N 152 116.442 116.442 113.569 2.873 25104 7198 1 8 . 1 1 152 152 THR HA H 152 5.579 5.579 4.694 0.885 25104 7199 1 8 . 1 1 152 152 THR C C 152 176.969 176.969 174.253 2.716 25104 7200 1 8 . 1 1 152 152 THR CA C 152 60.097 60.097 61.081 -0.984 25104 7201 1 8 . 1 1 152 152 THR CB C 152 71.324 71.324 70.292 1.032 25104 7202 1 8 . 1 1 152 152 THR H H 152 8.837 8.837 8.475 0.362 25104 7203 1 8 . 1 1 153 153 SER N N 153 117.113 117.113 119.972 -2.859 25104 7204 1 8 . 1 1 153 153 SER HA H 153 4.574 4.574 4.376 0.198 25104 7205 1 8 . 1 1 153 153 SER C C 153 175.737 175.737 175.232 0.505 25104 7206 1 8 . 1 1 153 153 SER CA C 153 58.222 58.222 60.797 -2.575 25104 7207 1 8 . 1 1 153 153 SER CB C 153 63.922 63.922 63.609 0.313 25104 7208 1 8 . 1 1 153 153 SER H H 153 9.424 9.424 8.899 0.525 25104 7209 1 8 . 1 1 154 154 LYS N N 154 119.347 119.347 120.365 -1.018 25104 7210 1 8 . 1 1 154 154 LYS HA H 154 4.594 4.594 4.522 0.072 25104 7211 1 8 . 1 1 154 154 LYS C C 154 175.436 175.436 175.137 0.299 25104 7212 1 8 . 1 1 154 154 LYS CA C 154 54.578 54.578 53.953 0.625 25104 7213 1 8 . 1 1 154 154 LYS CB C 154 38.443 38.443 33.843 4.600 25104 7214 1 8 . 1 1 154 154 LYS H H 154 7.566 7.566 7.569 -0.003 25104 7215 1 8 . 1 1 155 155 LYS N N 155 121.869 121.869 125.772 -3.903 25104 7216 1 8 . 1 1 155 155 LYS HA H 155 4.348 4.348 4.471 -0.123 25104 7217 1 8 . 1 1 155 155 LYS C C 155 176.946 176.946 175.787 1.159 25104 7218 1 8 . 1 1 155 155 LYS CA C 155 56.325 56.325 55.386 0.939 25104 7219 1 8 . 1 1 155 155 LYS CB C 155 32.136 32.136 31.652 0.484 25104 7220 1 8 . 1 1 155 155 LYS H H 155 8.820 8.820 8.527 0.293 25104 7221 1 8 . 1 1 156 156 ILE N N 156 134.145 134.145 127.274 6.871 25104 7222 1 8 . 1 1 156 156 ILE HA H 156 5.134 5.134 4.535 0.599 25104 7223 1 8 . 1 1 156 156 ILE C C 156 177.451 177.451 175.896 1.555 25104 7224 1 8 . 1 1 156 156 ILE CA C 156 59.538 59.538 61.196 -1.657 25104 7225 1 8 . 1 1 156 156 ILE CB C 156 37.167 37.167 39.234 -2.067 25104 7226 1 8 . 1 1 156 156 ILE H H 156 9.609 9.609 8.061 1.548 25104 7227 1 8 . 1 1 157 157 THR N N 157 117.447 117.447 114.834 2.613 25104 7228 1 8 . 1 1 157 157 THR HA H 157 5.311 5.311 5.220 0.091 25104 7229 1 8 . 1 1 157 157 THR C C 157 174.572 174.572 173.819 0.753 25104 7230 1 8 . 1 1 157 157 THR CA C 157 59.679 59.679 60.128 -0.449 25104 7231 1 8 . 1 1 157 157 THR CB C 157 72.708 72.708 72.292 0.416 25104 7232 1 8 . 1 1 157 157 THR H H 157 9.281 9.281 8.999 0.282 25104 7233 1 8 . 1 1 158 158 ILE N N 158 121.950 121.950 122.035 -0.085 25104 7234 1 8 . 1 1 158 158 ILE HA H 158 4.293 4.293 4.509 -0.216 25104 7235 1 8 . 1 1 158 158 ILE C C 158 175.631 175.631 176.616 -0.985 25104 7236 1 8 . 1 1 158 158 ILE CA C 158 60.992 60.992 61.341 -0.349 25104 7237 1 8 . 1 1 158 158 ILE CB C 158 36.826 36.826 37.002 -0.176 25104 7238 1 8 . 1 1 158 158 ILE H H 158 8.624 8.624 8.294 0.330 25104 7239 1 8 . 1 1 159 159 ALA N N 159 132.727 132.727 132.188 0.539 25104 7240 1 8 . 1 1 159 159 ALA HA H 159 4.179 4.179 4.134 0.045 25104 7241 1 8 . 1 1 159 159 ALA C C 159 179.489 179.489 177.229 2.260 25104 7242 1 8 . 1 1 159 159 ALA CA C 159 54.243 54.243 54.355 -0.112 25104 7243 1 8 . 1 1 159 159 ALA CB C 159 18.804 18.804 19.422 -0.617 25104 7244 1 8 . 1 1 159 159 ALA H H 159 8.910 8.910 8.910 -0.000 25104 7245 1 8 . 1 1 160 160 ASP N N 160 111.561 111.561 111.934 -0.373 25104 7246 1 8 . 1 1 160 160 ASP HA H 160 4.937 4.937 4.930 0.007 25104 7247 1 8 . 1 1 160 160 ASP C C 160 173.920 173.920 174.536 -0.616 25104 7248 1 8 . 1 1 160 160 ASP CA C 160 52.873 52.873 53.678 -0.805 25104 7249 1 8 . 1 1 160 160 ASP CB C 160 43.620 43.620 43.192 0.428 25104 7250 1 8 . 1 1 160 160 ASP H H 160 8.107 8.107 7.756 0.351 25104 7251 1 8 . 1 1 161 161 CYS N N 161 116.145 116.145 118.681 -2.536 25104 7252 1 8 . 1 1 161 161 CYS HA H 161 4.626 4.626 5.832 -1.206 25104 7253 1 8 . 1 1 161 161 CYS C C 161 173.426 173.426 174.925 -1.499 25104 7254 1 8 . 1 1 161 161 CYS CA C 161 55.518 55.518 56.627 -1.109 25104 7255 1 8 . 1 1 161 161 CYS CB C 161 31.463 31.463 32.143 -0.680 25104 7256 1 8 . 1 1 161 161 CYS H H 161 8.640 8.640 8.747 -0.107 25104 7257 1 8 . 1 1 162 162 GLY N N 162 104.114 104.114 108.078 -3.964 25104 7258 1 8 . 1 1 162 162 GLY C C 162 171.116 171.116 173.028 -1.912 25104 7259 1 8 . 1 1 162 162 GLY CA C 162 45.436 45.436 44.925 0.511 25104 7260 1 8 . 1 1 162 162 GLY H H 162 6.889 6.889 8.549 -1.660 25104 7261 1 8 . 1 1 163 163 GLN N N 163 121.022 121.022 118.887 2.135 25104 7262 1 8 . 1 1 163 163 GLN HA H 163 5.150 5.150 4.206 0.944 25104 7263 1 8 . 1 1 163 163 GLN C C 163 176.548 176.548 174.577 1.971 25104 7264 1 8 . 1 1 163 163 GLN CA C 163 54.794 54.794 56.028 -1.234 25104 7265 1 8 . 1 1 163 163 GLN CB C 163 30.765 30.765 28.974 1.790 25104 7266 1 8 . 1 1 163 163 GLN H H 163 9.062 9.062 8.094 0.968 25104 7267 1 8 . 1 1 164 164 LEU N N 164 126.034 126.034 127.267 -1.233 25104 7268 1 8 . 1 1 164 164 LEU HA H 164 4.641 4.641 4.398 0.243 25104 7269 1 8 . 1 1 164 164 LEU C C 164 177.108 177.108 175.921 1.187 25104 7270 1 8 . 1 1 164 164 LEU CA C 164 55.036 55.036 54.123 0.913 25104 7271 1 8 . 1 1 164 164 LEU CB C 164 43.560 43.560 40.871 2.689 25104 7272 1 8 . 1 1 164 164 LEU H H 164 8.639 8.639 8.469 0.170 25104 7273 1 9 . 1 1 2 2 VAL N N 2 111.261 111.261 123.232 -11.971 25104 7274 1 9 . 1 1 2 2 VAL HA H 2 4.126 4.126 4.169 -0.043 25104 7275 1 9 . 1 1 2 2 VAL C C 2 176.404 176.404 175.433 0.971 25104 7276 1 9 . 1 1 2 2 VAL CA C 2 61.417 61.417 62.499 -1.082 25104 7277 1 9 . 1 1 2 2 VAL CB C 2 33.763 33.763 31.827 1.936 25104 7278 1 9 . 1 1 2 2 VAL H H 2 8.447 8.447 8.104 0.343 25104 7279 1 9 . 1 1 3 3 ASN N N 3 126.056 126.056 121.102 4.954 25104 7280 1 9 . 1 1 3 3 ASN HA H 3 5.205 5.205 4.800 0.405 25104 7281 1 9 . 1 1 3 3 ASN CA C 3 50.987 50.987 52.012 -1.025 25104 7282 1 9 . 1 1 3 3 ASN CB C 3 38.031 38.031 38.538 -0.507 25104 7283 1 9 . 1 1 3 3 ASN H H 3 8.666 8.666 7.947 0.719 25104 7284 1 9 . 1 1 4 4 PRO HA H 4 4.818 4.818 4.268 0.550 25104 7285 1 9 . 1 1 4 4 PRO C C 4 176.242 176.242 176.134 0.108 25104 7286 1 9 . 1 1 4 4 PRO CA C 4 62.832 62.832 63.239 -0.407 25104 7287 1 9 . 1 1 4 4 PRO CB C 4 33.162 33.162 31.896 1.266 25104 7288 1 9 . 1 1 5 5 THR N N 5 115.265 115.265 120.728 -5.463 25104 7289 1 9 . 1 1 5 5 THR HA H 5 5.759 5.759 4.698 1.061 25104 7290 1 9 . 1 1 5 5 THR C C 5 176.483 176.483 173.950 2.533 25104 7291 1 9 . 1 1 5 5 THR CA C 5 60.867 60.867 62.271 -1.404 25104 7292 1 9 . 1 1 5 5 THR CB C 5 71.050 71.050 70.283 0.767 25104 7293 1 9 . 1 1 5 5 THR H H 5 8.787 8.787 8.227 0.560 25104 7294 1 9 . 1 1 6 6 VAL N N 6 120.640 120.640 125.208 -4.568 25104 7295 1 9 . 1 1 6 6 VAL HA H 6 5.379 5.379 4.317 1.062 25104 7296 1 9 . 1 1 6 6 VAL C C 6 174.710 174.710 174.455 0.255 25104 7297 1 9 . 1 1 6 6 VAL CA C 6 58.881 58.881 60.652 -1.771 25104 7298 1 9 . 1 1 6 6 VAL CB C 6 36.180 36.180 33.971 2.209 25104 7299 1 9 . 1 1 6 6 VAL H H 6 8.805 8.805 8.526 0.279 25104 7300 1 9 . 1 1 7 7 PHE N N 7 119.359 119.359 124.982 -5.623 25104 7301 1 9 . 1 1 7 7 PHE HA H 7 5.948 5.948 4.957 0.991 25104 7302 1 9 . 1 1 7 7 PHE C C 7 173.634 173.634 173.035 0.599 25104 7303 1 9 . 1 1 7 7 PHE CA C 7 55.925 55.925 56.169 -0.244 25104 7304 1 9 . 1 1 7 7 PHE CB C 7 43.166 43.166 42.612 0.554 25104 7305 1 9 . 1 1 7 7 PHE H H 7 8.995 8.995 8.147 0.848 25104 7306 1 9 . 1 1 8 8 PHE N N 8 117.097 117.097 123.105 -6.008 25104 7307 1 9 . 1 1 8 8 PHE HA H 8 5.367 5.367 5.136 0.231 25104 7308 1 9 . 1 1 8 8 PHE C C 8 176.000 176.000 173.875 2.125 25104 7309 1 9 . 1 1 8 8 PHE CA C 8 53.460 53.460 54.955 -1.494 25104 7310 1 9 . 1 1 8 8 PHE CB C 8 42.791 42.791 43.341 -0.550 25104 7311 1 9 . 1 1 8 8 PHE H H 8 9.571 9.571 8.701 0.870 25104 7312 1 9 . 1 1 9 9 ASP N N 9 124.287 124.287 121.873 2.414 25104 7313 1 9 . 1 1 9 9 ASP HA H 9 5.585 5.585 4.940 0.645 25104 7314 1 9 . 1 1 9 9 ASP C C 9 176.286 176.286 175.085 1.201 25104 7315 1 9 . 1 1 9 9 ASP CA C 9 54.831 54.831 53.740 1.091 25104 7316 1 9 . 1 1 9 9 ASP CB C 9 41.366 41.366 42.395 -1.029 25104 7317 1 9 . 1 1 9 9 ASP H H 9 9.301 9.301 8.502 0.799 25104 7318 1 9 . 1 1 10 10 ILE N N 10 124.286 124.286 124.120 0.166 25104 7319 1 9 . 1 1 10 10 ILE HA H 10 5.213 5.213 4.450 0.763 25104 7320 1 9 . 1 1 10 10 ILE C C 10 177.031 177.031 174.772 2.259 25104 7321 1 9 . 1 1 10 10 ILE CA C 10 58.233 58.233 59.561 -1.328 25104 7322 1 9 . 1 1 10 10 ILE CB C 10 37.769 37.769 37.143 0.626 25104 7323 1 9 . 1 1 10 10 ILE H H 10 9.059 9.059 8.420 0.639 25104 7324 1 9 . 1 1 11 11 ALA N N 11 132.503 132.503 130.661 1.842 25104 7325 1 9 . 1 1 11 11 ALA HA H 11 5.216 5.216 5.022 0.194 25104 7326 1 9 . 1 1 11 11 ALA C C 11 175.928 175.928 175.567 0.361 25104 7327 1 9 . 1 1 11 11 ALA CA C 11 50.948 50.948 50.517 0.431 25104 7328 1 9 . 1 1 11 11 ALA CB C 11 22.804 22.804 22.795 0.009 25104 7329 1 9 . 1 1 11 11 ALA H H 11 9.642 9.642 8.665 0.977 25104 7330 1 9 . 1 1 12 12 VAL N N 12 118.551 118.551 123.273 -4.722 25104 7331 1 9 . 1 1 12 12 VAL HA H 12 4.578 4.578 4.022 0.556 25104 7332 1 9 . 1 1 12 12 VAL C C 12 177.347 177.347 175.830 1.517 25104 7333 1 9 . 1 1 12 12 VAL CA C 12 60.457 60.457 61.689 -1.232 25104 7334 1 9 . 1 1 12 12 VAL CB C 12 33.301 33.301 31.184 2.117 25104 7335 1 9 . 1 1 12 12 VAL H H 12 8.984 8.984 8.563 0.421 25104 7336 1 9 . 1 1 13 13 ASP N N 13 131.009 131.009 127.852 3.157 25104 7337 1 9 . 1 1 13 13 ASP HA H 13 4.359 4.359 4.277 0.082 25104 7338 1 9 . 1 1 13 13 ASP C C 13 176.795 176.795 176.472 0.323 25104 7339 1 9 . 1 1 13 13 ASP CA C 13 55.880 55.880 55.462 0.418 25104 7340 1 9 . 1 1 13 13 ASP CB C 13 39.999 39.999 39.291 0.708 25104 7341 1 9 . 1 1 13 13 ASP H H 13 9.868 9.868 8.993 0.875 25104 7342 1 9 . 1 1 14 14 GLY N N 14 101.848 101.848 103.357 -1.509 25104 7343 1 9 . 1 1 14 14 GLY C C 14 174.700 174.700 174.385 0.315 25104 7344 1 9 . 1 1 14 14 GLY CA C 14 45.303 45.303 45.096 0.207 25104 7345 1 9 . 1 1 14 14 GLY H H 14 8.578 8.578 8.245 0.333 25104 7346 1 9 . 1 1 15 15 GLU N N 15 123.331 123.331 122.581 0.750 25104 7347 1 9 . 1 1 15 15 GLU HA H 15 4.891 4.891 4.734 0.157 25104 7348 1 9 . 1 1 15 15 GLU CA C 15 52.932 52.932 53.024 -0.092 25104 7349 1 9 . 1 1 15 15 GLU CB C 15 30.468 30.468 29.346 1.122 25104 7350 1 9 . 1 1 15 15 GLU H H 15 8.086 8.086 7.665 0.421 25104 7351 1 9 . 1 1 16 16 PRO HA H 16 4.240 4.240 4.421 -0.181 25104 7352 1 9 . 1 1 16 16 PRO C C 16 177.072 177.072 176.339 0.733 25104 7353 1 9 . 1 1 16 16 PRO CA C 16 64.838 64.838 63.750 1.088 25104 7354 1 9 . 1 1 16 16 PRO CB C 16 32.368 32.368 31.608 0.760 25104 7355 1 9 . 1 1 17 17 LEU N N 17 126.051 126.051 126.981 -0.930 25104 7356 1 9 . 1 1 17 17 LEU HA H 17 4.739 4.739 4.481 0.258 25104 7357 1 9 . 1 1 17 17 LEU C C 17 176.975 176.975 176.885 0.090 25104 7358 1 9 . 1 1 17 17 LEU CA C 17 55.511 55.511 55.637 -0.126 25104 7359 1 9 . 1 1 17 17 LEU CB C 17 44.257 44.257 43.081 1.177 25104 7360 1 9 . 1 1 17 17 LEU H H 17 9.237 9.237 8.426 0.811 25104 7361 1 9 . 1 1 18 18 GLY N N 18 102.496 102.496 104.470 -1.974 25104 7362 1 9 . 1 1 18 18 GLY C C 18 170.997 170.997 171.787 -0.790 25104 7363 1 9 . 1 1 18 18 GLY CA C 18 44.713 44.713 45.058 -0.345 25104 7364 1 9 . 1 1 18 18 GLY H H 18 7.303 7.303 7.630 -0.327 25104 7365 1 9 . 1 1 19 19 ARG N N 19 121.330 121.330 120.020 1.310 25104 7366 1 9 . 1 1 19 19 ARG HA H 19 5.665 5.665 4.652 1.013 25104 7367 1 9 . 1 1 19 19 ARG C C 19 176.011 176.011 175.124 0.887 25104 7368 1 9 . 1 1 19 19 ARG CA C 19 55.106 55.106 55.590 -0.484 25104 7369 1 9 . 1 1 19 19 ARG CB C 19 33.587 33.587 32.771 0.816 25104 7370 1 9 . 1 1 19 19 ARG H H 19 8.348 8.348 8.447 -0.099 25104 7371 1 9 . 1 1 20 20 VAL N N 20 126.859 126.859 126.065 0.794 25104 7372 1 9 . 1 1 20 20 VAL HA H 20 4.650 4.650 4.618 0.032 25104 7373 1 9 . 1 1 20 20 VAL C C 20 174.836 174.836 174.446 0.390 25104 7374 1 9 . 1 1 20 20 VAL CA C 20 59.966 59.966 60.534 -0.568 25104 7375 1 9 . 1 1 20 20 VAL CB C 20 35.034 35.034 34.373 0.661 25104 7376 1 9 . 1 1 20 20 VAL H H 20 9.400 9.400 8.623 0.777 25104 7377 1 9 . 1 1 21 21 SER N N 21 120.319 120.319 123.385 -3.066 25104 7378 1 9 . 1 1 21 21 SER HA H 21 5.565 5.565 5.226 0.339 25104 7379 1 9 . 1 1 21 21 SER C C 21 174.694 174.694 173.768 0.926 25104 7380 1 9 . 1 1 21 21 SER CA C 21 55.462 55.462 56.990 -1.528 25104 7381 1 9 . 1 1 21 21 SER CB C 21 66.546 66.546 64.388 2.158 25104 7382 1 9 . 1 1 21 21 SER H H 21 8.791 8.791 8.299 0.492 25104 7383 1 9 . 1 1 22 22 PHE N N 22 119.239 119.239 123.751 -4.512 25104 7384 1 9 . 1 1 22 22 PHE HA H 22 5.279 5.279 5.111 0.168 25104 7385 1 9 . 1 1 22 22 PHE C C 22 176.190 176.190 175.765 0.425 25104 7386 1 9 . 1 1 22 22 PHE CA C 22 55.882 55.882 56.833 -0.951 25104 7387 1 9 . 1 1 22 22 PHE CB C 22 42.673 42.673 42.202 0.471 25104 7388 1 9 . 1 1 22 22 PHE H H 22 9.553 9.553 8.876 0.677 25104 7389 1 9 . 1 1 23 23 GLU N N 23 123.308 123.308 120.331 2.977 25104 7390 1 9 . 1 1 23 23 GLU HA H 23 4.797 4.797 4.675 0.122 25104 7391 1 9 . 1 1 23 23 GLU C C 23 175.673 175.673 174.744 0.929 25104 7392 1 9 . 1 1 23 23 GLU CA C 23 55.119 55.119 55.291 -0.172 25104 7393 1 9 . 1 1 23 23 GLU CB C 23 32.058 32.058 32.827 -0.769 25104 7394 1 9 . 1 1 23 23 GLU H H 23 8.791 8.791 8.871 -0.080 25104 7395 1 9 . 1 1 24 24 LEU N N 24 122.539 122.539 126.316 -3.777 25104 7396 1 9 . 1 1 24 24 LEU HA H 24 4.749 4.749 5.017 -0.268 25104 7397 1 9 . 1 1 24 24 LEU C C 24 178.229 178.229 177.222 1.007 25104 7398 1 9 . 1 1 24 24 LEU CA C 24 51.899 51.899 53.758 -1.859 25104 7399 1 9 . 1 1 24 24 LEU CB C 24 43.248 43.248 43.256 -0.008 25104 7400 1 9 . 1 1 24 24 LEU H H 24 8.198 8.198 8.477 -0.279 25104 7401 1 9 . 1 1 25 25 PHE N N 25 124.715 124.715 123.065 1.650 25104 7402 1 9 . 1 1 25 25 PHE HA H 25 5.171 5.171 4.906 0.265 25104 7403 1 9 . 1 1 25 25 PHE C C 25 177.485 177.485 175.656 1.829 25104 7404 1 9 . 1 1 25 25 PHE CA C 25 54.699 54.699 56.804 -2.105 25104 7405 1 9 . 1 1 25 25 PHE CB C 25 36.100 36.100 36.604 -0.504 25104 7406 1 9 . 1 1 25 25 PHE H H 25 8.864 8.864 9.438 -0.574 25104 7407 1 9 . 1 1 26 26 ALA N N 26 128.663 128.663 124.690 3.973 25104 7408 1 9 . 1 1 26 26 ALA HA H 26 3.838 3.838 4.166 -0.328 25104 7409 1 9 . 1 1 26 26 ALA C C 26 177.291 177.291 178.389 -1.098 25104 7410 1 9 . 1 1 26 26 ALA CA C 26 54.316 54.316 54.812 -0.496 25104 7411 1 9 . 1 1 26 26 ALA CB C 26 19.002 19.002 19.016 -0.014 25104 7412 1 9 . 1 1 26 26 ALA H H 26 8.480 8.480 7.704 0.776 25104 7413 1 9 . 1 1 27 27 ASP N N 27 114.191 114.191 115.682 -1.491 25104 7414 1 9 . 1 1 27 27 ASP HA H 27 4.197 4.197 4.485 -0.288 25104 7415 1 9 . 1 1 27 27 ASP C C 27 177.976 177.976 177.038 0.938 25104 7416 1 9 . 1 1 27 27 ASP CA C 27 55.410 55.410 56.053 -0.643 25104 7417 1 9 . 1 1 27 27 ASP CB C 27 38.821 38.821 40.326 -1.505 25104 7418 1 9 . 1 1 27 27 ASP H H 27 9.145 9.145 8.688 0.457 25104 7419 1 9 . 1 1 28 28 LYS N N 28 118.107 118.107 119.064 -0.957 25104 7420 1 9 . 1 1 28 28 LYS HA H 28 4.599 4.599 4.460 0.139 25104 7421 1 9 . 1 1 28 28 LYS C C 28 177.840 177.840 177.324 0.516 25104 7422 1 9 . 1 1 28 28 LYS CA C 28 56.262 56.262 57.367 -1.105 25104 7423 1 9 . 1 1 28 28 LYS CB C 28 36.006 36.006 35.096 0.910 25104 7424 1 9 . 1 1 28 28 LYS H H 28 7.569 7.569 7.615 -0.046 25104 7425 1 9 . 1 1 29 29 VAL N N 29 114.551 114.551 115.275 -0.724 25104 7426 1 9 . 1 1 29 29 VAL HA H 29 4.487 4.487 4.768 -0.281 25104 7427 1 9 . 1 1 29 29 VAL CA C 29 58.309 58.309 58.819 -0.510 25104 7428 1 9 . 1 1 29 29 VAL CB C 29 32.078 32.078 32.187 -0.109 25104 7429 1 9 . 1 1 29 29 VAL H H 29 8.364 8.364 8.158 0.206 25104 7430 1 9 . 1 1 30 30 PRO HA H 30 4.450 4.450 4.423 0.027 25104 7431 1 9 . 1 1 30 30 PRO C C 30 181.892 181.892 178.650 3.242 25104 7432 1 9 . 1 1 30 30 PRO CA C 30 66.227 66.227 65.633 0.593 25104 7433 1 9 . 1 1 30 30 PRO CB C 30 31.547 31.547 32.069 -0.522 25104 7434 1 9 . 1 1 31 31 LYS N N 31 123.785 123.785 119.284 4.501 25104 7435 1 9 . 1 1 31 31 LYS HA H 31 4.105 4.105 4.059 0.046 25104 7436 1 9 . 1 1 31 31 LYS C C 31 182.749 182.749 178.753 3.996 25104 7437 1 9 . 1 1 31 31 LYS CA C 31 61.057 61.057 59.944 1.113 25104 7438 1 9 . 1 1 31 31 LYS CB C 31 32.468 32.468 32.046 0.422 25104 7439 1 9 . 1 1 31 31 LYS H H 31 10.684 10.684 8.074 2.610 25104 7440 1 9 . 1 1 32 32 THR N N 32 124.002 124.002 113.836 10.166 25104 7441 1 9 . 1 1 32 32 THR HA H 32 4.034 4.034 4.422 -0.388 25104 7442 1 9 . 1 1 32 32 THR C C 32 178.673 178.673 176.012 2.661 25104 7443 1 9 . 1 1 32 32 THR CA C 32 67.526 67.526 65.902 1.624 25104 7444 1 9 . 1 1 32 32 THR CB C 32 68.705 68.705 68.612 0.093 25104 7445 1 9 . 1 1 32 32 THR H H 32 10.320 10.320 8.231 2.089 25104 7446 1 9 . 1 1 33 33 ALA N N 33 125.616 125.616 123.807 1.809 25104 7447 1 9 . 1 1 33 33 ALA HA H 33 4.092 4.092 4.182 -0.090 25104 7448 1 9 . 1 1 33 33 ALA C C 33 179.174 179.174 178.960 0.214 25104 7449 1 9 . 1 1 33 33 ALA CA C 33 55.972 55.972 54.766 1.206 25104 7450 1 9 . 1 1 33 33 ALA CB C 33 18.414 18.414 18.444 -0.030 25104 7451 1 9 . 1 1 33 33 ALA H H 33 9.311 9.311 7.937 1.374 25104 7452 1 9 . 1 1 34 34 GLU N N 34 117.376 117.376 119.308 -1.932 25104 7453 1 9 . 1 1 34 34 GLU HA H 34 4.556 4.556 3.969 0.587 25104 7454 1 9 . 1 1 34 34 GLU C C 34 178.418 178.418 178.574 -0.156 25104 7455 1 9 . 1 1 34 34 GLU CA C 34 58.238 58.238 58.923 -0.685 25104 7456 1 9 . 1 1 34 34 GLU CB C 34 28.181 28.181 29.474 -1.293 25104 7457 1 9 . 1 1 34 34 GLU H H 34 8.069 8.069 7.935 0.134 25104 7458 1 9 . 1 1 35 35 ASN N N 35 115.722 115.722 118.339 -2.617 25104 7459 1 9 . 1 1 35 35 ASN HA H 35 4.108 4.108 4.195 -0.087 25104 7460 1 9 . 1 1 35 35 ASN C C 35 175.568 175.568 177.150 -1.582 25104 7461 1 9 . 1 1 35 35 ASN CA C 35 56.768 56.768 56.070 0.698 25104 7462 1 9 . 1 1 35 35 ASN CB C 35 39.644 39.644 38.189 1.455 25104 7463 1 9 . 1 1 35 35 ASN H H 35 7.193 7.193 7.913 -0.720 25104 7464 1 9 . 1 1 36 36 PHE N N 36 117.929 117.929 120.226 -2.297 25104 7465 1 9 . 1 1 36 36 PHE HA H 36 4.158 4.158 4.020 0.138 25104 7466 1 9 . 1 1 36 36 PHE C C 36 179.707 179.707 177.394 2.313 25104 7467 1 9 . 1 1 36 36 PHE CA C 36 61.589 61.589 61.042 0.547 25104 7468 1 9 . 1 1 36 36 PHE CB C 36 39.948 39.948 38.878 1.070 25104 7469 1 9 . 1 1 36 36 PHE H H 36 7.065 7.065 7.260 -0.195 25104 7470 1 9 . 1 1 37 37 ARG N N 37 121.048 121.048 119.798 1.250 25104 7471 1 9 . 1 1 37 37 ARG HA H 37 3.685 3.685 3.783 -0.098 25104 7472 1 9 . 1 1 37 37 ARG C C 37 179.000 179.000 178.009 0.991 25104 7473 1 9 . 1 1 37 37 ARG CA C 37 60.515 60.515 59.651 0.864 25104 7474 1 9 . 1 1 37 37 ARG CB C 37 29.880 29.880 30.180 -0.300 25104 7475 1 9 . 1 1 37 37 ARG H H 37 8.975 8.975 8.100 0.875 25104 7476 1 9 . 1 1 38 38 ALA N N 38 119.232 119.232 121.979 -2.747 25104 7477 1 9 . 1 1 38 38 ALA HA H 38 4.126 4.126 4.197 -0.071 25104 7478 1 9 . 1 1 38 38 ALA C C 38 183.365 183.365 179.621 3.744 25104 7479 1 9 . 1 1 38 38 ALA CA C 38 54.477 54.477 54.652 -0.175 25104 7480 1 9 . 1 1 38 38 ALA CB C 38 18.405 18.405 18.480 -0.075 25104 7481 1 9 . 1 1 38 38 ALA H H 38 8.741 8.741 7.822 0.919 25104 7482 1 9 . 1 1 39 39 LEU N N 39 120.723 120.723 118.051 2.672 25104 7483 1 9 . 1 1 39 39 LEU HA H 39 3.800 3.800 4.119 -0.319 25104 7484 1 9 . 1 1 39 39 LEU C C 39 180.481 180.481 179.048 1.433 25104 7485 1 9 . 1 1 39 39 LEU CA C 39 57.268 57.268 57.696 -0.428 25104 7486 1 9 . 1 1 39 39 LEU CB C 39 41.218 41.218 41.498 -0.280 25104 7487 1 9 . 1 1 39 39 LEU H H 39 8.212 8.212 7.772 0.440 25104 7488 1 9 . 1 1 40 40 SER N N 40 119.210 119.210 114.979 4.231 25104 7489 1 9 . 1 1 40 40 SER HA H 40 4.341 4.341 4.334 0.007 25104 7490 1 9 . 1 1 40 40 SER C C 40 175.380 175.380 176.379 -0.999 25104 7491 1 9 . 1 1 40 40 SER CA C 40 62.924 62.924 61.660 1.264 25104 7492 1 9 . 1 1 40 40 SER CB C 40 62.992 62.992 62.740 0.252 25104 7493 1 9 . 1 1 40 40 SER H H 40 7.938 7.938 8.097 -0.159 25104 7494 1 9 . 1 1 41 41 THR N N 41 108.556 108.556 110.921 -2.365 25104 7495 1 9 . 1 1 41 41 THR HA H 41 4.508 4.508 4.245 0.263 25104 7496 1 9 . 1 1 41 41 THR C C 41 179.088 179.088 176.327 2.761 25104 7497 1 9 . 1 1 41 41 THR CA C 41 62.492 62.492 63.331 -0.839 25104 7498 1 9 . 1 1 41 41 THR CB C 41 69.663 69.663 69.148 0.515 25104 7499 1 9 . 1 1 41 41 THR H H 41 8.017 8.017 7.778 0.239 25104 7500 1 9 . 1 1 42 42 GLY N N 42 108.433 108.433 110.578 -2.145 25104 7501 1 9 . 1 1 42 42 GLY C C 42 178.676 178.676 175.661 3.015 25104 7502 1 9 . 1 1 42 42 GLY CA C 42 45.840 45.840 45.361 0.479 25104 7503 1 9 . 1 1 42 42 GLY H H 42 7.621 7.621 7.845 -0.224 25104 7504 1 9 . 1 1 43 43 GLU N N 43 118.777 118.777 120.532 -1.755 25104 7505 1 9 . 1 1 43 43 GLU HA H 43 4.171 4.171 4.117 0.054 25104 7506 1 9 . 1 1 43 43 GLU C C 43 177.458 177.458 177.670 -0.212 25104 7507 1 9 . 1 1 43 43 GLU CA C 43 58.580 58.580 57.890 0.690 25104 7508 1 9 . 1 1 43 43 GLU H H 43 8.049 8.049 8.086 -0.037 25104 7509 1 9 . 1 1 44 44 LYS N N 44 118.526 118.526 116.519 2.007 25104 7510 1 9 . 1 1 44 44 LYS HA H 44 4.342 4.342 4.315 0.027 25104 7511 1 9 . 1 1 44 44 LYS C C 44 177.590 177.590 176.854 0.736 25104 7512 1 9 . 1 1 44 44 LYS CA C 44 54.405 54.405 54.384 0.021 25104 7513 1 9 . 1 1 44 44 LYS CB C 44 30.488 30.488 31.862 -1.374 25104 7514 1 9 . 1 1 44 44 LYS H H 44 9.123 9.123 7.376 1.747 25104 7515 1 9 . 1 1 45 45 GLY N N 45 105.553 105.553 108.024 -2.471 25104 7516 1 9 . 1 1 45 45 GLY C C 45 173.518 173.518 175.303 -1.785 25104 7517 1 9 . 1 1 45 45 GLY CA C 45 44.612 44.612 46.194 -1.582 25104 7518 1 9 . 1 1 45 45 GLY H H 45 7.970 7.970 7.714 0.256 25104 7519 1 9 . 1 1 46 46 PHE N N 46 113.753 113.753 121.014 -7.261 25104 7520 1 9 . 1 1 46 46 PHE HA H 46 4.678 4.678 4.261 0.417 25104 7521 1 9 . 1 1 46 46 PHE C C 46 173.684 173.684 176.817 -3.133 25104 7522 1 9 . 1 1 46 46 PHE CA C 46 54.077 54.077 57.315 -3.238 25104 7523 1 9 . 1 1 46 46 PHE CB C 46 39.658 39.658 38.751 0.907 25104 7524 1 9 . 1 1 46 46 PHE H H 46 6.469 6.469 7.369 -0.900 25104 7525 1 9 . 1 1 47 47 GLY N N 47 104.722 104.722 106.941 -2.219 25104 7526 1 9 . 1 1 47 47 GLY C C 47 172.446 172.446 174.958 -2.512 25104 7527 1 9 . 1 1 47 47 GLY CA C 47 45.601 45.601 45.318 0.283 25104 7528 1 9 . 1 1 47 47 GLY H H 47 7.756 7.756 8.169 -0.413 25104 7529 1 9 . 1 1 48 48 TYR N N 48 113.796 113.796 120.757 -6.961 25104 7530 1 9 . 1 1 48 48 TYR HA H 48 4.270 4.270 4.206 0.064 25104 7531 1 9 . 1 1 48 48 TYR C C 48 178.924 178.924 175.149 3.775 25104 7532 1 9 . 1 1 48 48 TYR CA C 48 57.365 57.365 59.082 -1.717 25104 7533 1 9 . 1 1 48 48 TYR CB C 48 38.832 38.832 37.304 1.528 25104 7534 1 9 . 1 1 48 48 TYR H H 48 6.948 6.948 8.100 -1.152 25104 7535 1 9 . 1 1 49 49 LYS N N 49 124.858 124.858 124.637 0.221 25104 7536 1 9 . 1 1 49 49 LYS HA H 49 3.655 3.655 4.398 -0.743 25104 7537 1 9 . 1 1 49 49 LYS C C 49 178.388 178.388 176.811 1.577 25104 7538 1 9 . 1 1 49 49 LYS CA C 49 61.018 61.018 55.365 5.653 25104 7539 1 9 . 1 1 49 49 LYS CB C 49 31.484 31.484 32.925 -1.440 25104 7540 1 9 . 1 1 49 49 LYS H H 49 8.493 8.493 7.985 0.508 25104 7541 1 9 . 1 1 50 50 GLY N N 50 117.833 117.833 115.403 2.430 25104 7542 1 9 . 1 1 50 50 GLY C C 50 175.259 175.259 174.476 0.783 25104 7543 1 9 . 1 1 50 50 GLY CA C 50 45.495 45.495 45.112 0.383 25104 7544 1 9 . 1 1 50 50 GLY H H 50 9.509 9.509 8.191 1.318 25104 7545 1 9 . 1 1 51 51 SER N N 51 116.413 116.413 117.953 -1.540 25104 7546 1 9 . 1 1 51 51 SER HA H 51 4.516 4.516 4.689 -0.173 25104 7547 1 9 . 1 1 51 51 SER C C 51 172.808 172.808 175.095 -2.287 25104 7548 1 9 . 1 1 51 51 SER CA C 51 59.043 59.043 59.129 -0.086 25104 7549 1 9 . 1 1 51 51 SER CB C 51 63.781 63.781 62.726 1.055 25104 7550 1 9 . 1 1 51 51 SER H H 51 8.436 8.436 7.889 0.547 25104 7551 1 9 . 1 1 52 52 CYS N N 52 115.156 115.156 123.521 -8.365 25104 7552 1 9 . 1 1 52 52 CYS HA H 52 5.932 5.932 5.125 0.807 25104 7553 1 9 . 1 1 52 52 CYS C C 52 177.437 177.437 174.288 3.149 25104 7554 1 9 . 1 1 52 52 CYS CA C 52 55.998 55.998 56.614 -0.616 25104 7555 1 9 . 1 1 52 52 CYS CB C 52 31.953 31.953 29.112 2.841 25104 7556 1 9 . 1 1 52 52 CYS H H 52 9.875 9.875 8.502 1.373 25104 7557 1 9 . 1 1 53 53 PHE N N 53 123.068 123.068 123.964 -0.896 25104 7558 1 9 . 1 1 53 53 PHE HA H 53 4.899 4.899 4.341 0.558 25104 7559 1 9 . 1 1 53 53 PHE C C 53 175.886 175.886 175.892 -0.006 25104 7560 1 9 . 1 1 53 53 PHE CA C 53 58.389 58.389 59.330 -0.941 25104 7561 1 9 . 1 1 53 53 PHE CB C 53 39.535 39.535 37.722 1.813 25104 7562 1 9 . 1 1 53 53 PHE H H 53 8.732 8.732 8.966 -0.234 25104 7563 1 9 . 1 1 54 54 HIS N N 54 120.227 120.227 118.453 1.774 25104 7564 1 9 . 1 1 54 54 HIS HA H 54 4.763 4.763 4.935 -0.172 25104 7565 1 9 . 1 1 54 54 HIS C C 54 176.409 176.409 174.320 2.089 25104 7566 1 9 . 1 1 54 54 HIS CA C 54 57.323 57.323 54.822 2.501 25104 7567 1 9 . 1 1 54 54 HIS CB C 54 31.542 31.542 31.508 0.034 25104 7568 1 9 . 1 1 54 54 HIS H H 54 7.696 7.696 7.868 -0.172 25104 7569 1 9 . 1 1 55 55 ARG N N 55 123.202 123.202 120.800 2.402 25104 7570 1 9 . 1 1 55 55 ARG HA H 55 5.118 5.118 5.103 0.015 25104 7571 1 9 . 1 1 55 55 ARG C C 55 174.511 174.511 173.543 0.968 25104 7572 1 9 . 1 1 55 55 ARG CA C 55 54.913 54.913 55.508 -0.595 25104 7573 1 9 . 1 1 55 55 ARG CB C 55 33.805 33.805 32.132 1.673 25104 7574 1 9 . 1 1 55 55 ARG H H 55 7.089 7.089 7.496 -0.407 25104 7575 1 9 . 1 1 56 56 ILE N N 56 126.621 126.621 125.638 0.983 25104 7576 1 9 . 1 1 56 56 ILE HA H 56 4.659 4.659 4.727 -0.068 25104 7577 1 9 . 1 1 56 56 ILE C C 56 174.633 174.633 173.990 0.643 25104 7578 1 9 . 1 1 56 56 ILE CA C 56 61.585 61.585 60.499 1.086 25104 7579 1 9 . 1 1 56 56 ILE CB C 56 41.452 41.452 42.264 -0.812 25104 7580 1 9 . 1 1 56 56 ILE H H 56 9.201 9.201 8.153 1.048 25104 7581 1 9 . 1 1 57 57 ILE N N 57 127.965 127.965 125.702 2.263 25104 7582 1 9 . 1 1 57 57 ILE HA H 57 5.248 5.248 5.009 0.239 25104 7583 1 9 . 1 1 57 57 ILE CA C 57 57.685 57.685 57.738 -0.053 25104 7584 1 9 . 1 1 57 57 ILE CB C 57 40.236 40.236 41.370 -1.134 25104 7585 1 9 . 1 1 57 57 ILE H H 57 8.753 8.753 8.681 0.072 25104 7586 1 9 . 1 1 58 58 PRO HA H 58 4.382 4.382 4.327 0.055 25104 7587 1 9 . 1 1 58 58 PRO C C 58 178.669 178.669 177.611 1.058 25104 7588 1 9 . 1 1 58 58 PRO CA C 58 63.086 63.086 63.466 -0.380 25104 7589 1 9 . 1 1 58 58 PRO CB C 58 31.996 31.996 31.687 0.309 25104 7590 1 9 . 1 1 59 59 GLY N N 59 114.176 114.176 111.228 2.948 25104 7591 1 9 . 1 1 59 59 GLY C C 59 173.281 173.281 173.835 -0.554 25104 7592 1 9 . 1 1 59 59 GLY CA C 59 45.259 45.259 45.860 -0.601 25104 7593 1 9 . 1 1 59 59 GLY H H 59 9.752 9.752 8.569 1.183 25104 7594 1 9 . 1 1 60 60 PHE N N 60 119.241 119.241 118.337 0.904 25104 7595 1 9 . 1 1 60 60 PHE HA H 60 5.153 5.153 4.925 0.228 25104 7596 1 9 . 1 1 60 60 PHE C C 60 174.401 174.401 173.081 1.320 25104 7597 1 9 . 1 1 60 60 PHE CA C 60 56.867 56.867 57.911 -1.044 25104 7598 1 9 . 1 1 60 60 PHE CB C 60 39.954 39.954 41.813 -1.859 25104 7599 1 9 . 1 1 60 60 PHE H H 60 8.196 8.196 8.384 -0.188 25104 7600 1 9 . 1 1 61 61 MET N N 61 111.262 111.262 116.123 -4.861 25104 7601 1 9 . 1 1 61 61 MET HA H 61 5.369 5.369 4.844 0.525 25104 7602 1 9 . 1 1 61 61 MET C C 61 175.163 175.163 173.320 1.843 25104 7603 1 9 . 1 1 61 61 MET CA C 61 55.062 55.062 55.403 -0.341 25104 7604 1 9 . 1 1 61 61 MET CB C 61 35.010 35.010 36.619 -1.609 25104 7605 1 9 . 1 1 61 61 MET H H 61 8.128 8.128 8.290 -0.162 25104 7606 1 9 . 1 1 62 62 CYS N N 62 114.848 114.848 122.629 -7.781 25104 7607 1 9 . 1 1 62 62 CYS HA H 62 4.941 4.941 4.939 0.002 25104 7608 1 9 . 1 1 62 62 CYS C C 62 174.075 174.075 173.233 0.842 25104 7609 1 9 . 1 1 62 62 CYS CA C 62 57.485 57.485 57.106 0.379 25104 7610 1 9 . 1 1 62 62 CYS CB C 62 30.392 30.392 27.873 2.519 25104 7611 1 9 . 1 1 62 62 CYS H H 62 8.501 8.501 8.762 -0.261 25104 7612 1 9 . 1 1 63 63 GLN N N 63 126.854 126.854 126.765 0.089 25104 7613 1 9 . 1 1 63 63 GLN HA H 63 5.410 5.410 5.003 0.407 25104 7614 1 9 . 1 1 63 63 GLN C C 63 175.024 175.024 174.288 0.736 25104 7615 1 9 . 1 1 63 63 GLN CA C 63 54.691 54.691 54.338 0.353 25104 7616 1 9 . 1 1 63 63 GLN CB C 63 30.529 30.529 32.370 -1.841 25104 7617 1 9 . 1 1 63 63 GLN H H 63 9.671 9.671 8.695 0.976 25104 7618 1 9 . 1 1 64 64 GLY N N 64 110.745 110.745 111.021 -0.276 25104 7619 1 9 . 1 1 64 64 GLY C C 64 174.113 174.113 171.374 2.739 25104 7620 1 9 . 1 1 64 64 GLY CA C 64 44.788 44.788 42.751 2.037 25104 7621 1 9 . 1 1 64 64 GLY H H 64 7.401 7.401 8.213 -0.812 25104 7622 1 9 . 1 1 65 65 GLY N N 65 105.815 105.815 104.900 0.915 25104 7623 1 9 . 1 1 65 65 GLY C C 65 176.175 176.175 171.905 4.270 25104 7624 1 9 . 1 1 65 65 GLY CA C 65 46.659 46.659 45.511 1.148 25104 7625 1 9 . 1 1 65 65 GLY H H 65 9.265 9.265 7.549 1.716 25104 7626 1 9 . 1 1 66 66 ASP N N 66 123.911 123.911 119.431 4.480 25104 7627 1 9 . 1 1 66 66 ASP HA H 66 4.337 4.337 5.071 -0.734 25104 7628 1 9 . 1 1 66 66 ASP C C 66 177.105 177.105 176.973 0.132 25104 7629 1 9 . 1 1 66 66 ASP CA C 66 51.592 51.592 52.192 -0.600 25104 7630 1 9 . 1 1 66 66 ASP CB C 66 38.926 38.926 43.924 -4.998 25104 7631 1 9 . 1 1 66 66 ASP H H 66 9.950 9.950 8.145 1.805 25104 7632 1 9 . 1 1 67 67 PHE N N 67 116.285 116.285 120.691 -4.406 25104 7633 1 9 . 1 1 67 67 PHE HA H 67 4.655 4.655 4.434 0.221 25104 7634 1 9 . 1 1 67 67 PHE C C 67 175.240 175.240 176.282 -1.042 25104 7635 1 9 . 1 1 67 67 PHE CA C 67 55.683 55.683 60.237 -4.554 25104 7636 1 9 . 1 1 67 67 PHE CB C 67 39.480 39.480 39.819 -0.339 25104 7637 1 9 . 1 1 67 67 PHE H H 67 6.660 6.660 8.905 -2.245 25104 7638 1 9 . 1 1 68 68 THR N N 68 109.280 109.280 118.376 -9.096 25104 7639 1 9 . 1 1 68 68 THR HA H 68 4.692 4.692 4.156 0.536 25104 7640 1 9 . 1 1 68 68 THR C C 68 176.514 176.514 174.747 1.767 25104 7641 1 9 . 1 1 68 68 THR CA C 68 61.962 61.962 64.841 -2.879 25104 7642 1 9 . 1 1 68 68 THR CB C 68 68.922 68.922 68.534 0.387 25104 7643 1 9 . 1 1 68 68 THR H H 68 7.400 7.400 7.928 -0.528 25104 7644 1 9 . 1 1 69 69 ARG N N 69 122.125 122.125 121.721 0.404 25104 7645 1 9 . 1 1 69 69 ARG HA H 69 4.421 4.421 3.717 0.704 25104 7646 1 9 . 1 1 69 69 ARG CA C 69 55.265 55.265 57.494 -2.229 25104 7647 1 9 . 1 1 69 69 ARG CB C 69 31.727 31.727 27.863 3.864 25104 7648 1 9 . 1 1 69 69 ARG H H 69 8.719 8.719 8.896 -0.177 25104 7649 1 9 . 1 1 70 70 HIS N N 70 111.574 111.574 117.315 -5.741 25104 7650 1 9 . 1 1 70 70 HIS HA H 70 4.451 4.451 4.183 0.268 25104 7651 1 9 . 1 1 70 70 HIS C C 70 175.306 175.306 175.947 -0.641 25104 7652 1 9 . 1 1 70 70 HIS CA C 70 57.193 57.193 57.877 -0.684 25104 7653 1 9 . 1 1 70 70 HIS CB C 70 28.587 28.587 29.071 -0.484 25104 7654 1 9 . 1 1 70 70 HIS H H 70 6.865 6.865 7.696 -0.831 25104 7655 1 9 . 1 1 71 71 ASN N N 71 112.710 112.710 118.125 -5.415 25104 7656 1 9 . 1 1 71 71 ASN HA H 71 4.673 4.673 4.355 0.318 25104 7657 1 9 . 1 1 71 71 ASN C C 71 176.752 176.752 175.468 1.284 25104 7658 1 9 . 1 1 71 71 ASN CA C 71 52.366 52.366 52.847 -0.481 25104 7659 1 9 . 1 1 71 71 ASN CB C 71 39.036 39.036 37.151 1.885 25104 7660 1 9 . 1 1 71 71 ASN H H 71 7.594 7.594 7.269 0.325 25104 7661 1 9 . 1 1 72 72 GLY N N 72 110.452 110.452 113.519 -3.067 25104 7662 1 9 . 1 1 72 72 GLY C C 72 176.669 176.669 174.310 2.359 25104 7663 1 9 . 1 1 72 72 GLY CA C 72 44.887 44.887 45.416 -0.529 25104 7664 1 9 . 1 1 72 72 GLY H H 72 9.642 9.642 8.217 1.425 25104 7665 1 9 . 1 1 73 73 THR N N 73 112.024 112.024 115.105 -3.081 25104 7666 1 9 . 1 1 73 73 THR HA H 73 4.541 4.541 4.471 0.070 25104 7667 1 9 . 1 1 73 73 THR C C 73 176.905 176.905 173.861 3.044 25104 7668 1 9 . 1 1 73 73 THR CA C 73 62.235 62.235 61.964 0.271 25104 7669 1 9 . 1 1 73 73 THR CB C 73 70.677 70.677 71.389 -0.712 25104 7670 1 9 . 1 1 73 73 THR H H 73 7.967 7.967 7.854 0.113 25104 7671 1 9 . 1 1 74 74 GLY N N 74 113.872 113.872 111.141 2.731 25104 7672 1 9 . 1 1 74 74 GLY C C 74 176.149 176.149 174.337 1.812 25104 7673 1 9 . 1 1 74 74 GLY CA C 74 45.126 45.126 45.702 -0.576 25104 7674 1 9 . 1 1 74 74 GLY H H 74 8.711 8.711 8.161 0.550 25104 7675 1 9 . 1 1 75 75 GLY N N 75 109.032 109.032 105.287 3.745 25104 7676 1 9 . 1 1 75 75 GLY C C 75 173.012 173.012 174.073 -1.061 25104 7677 1 9 . 1 1 75 75 GLY CA C 75 43.371 43.371 44.782 -1.411 25104 7678 1 9 . 1 1 75 75 GLY H H 75 8.117 8.117 7.612 0.505 25104 7679 1 9 . 1 1 76 76 LYS N N 76 115.705 115.705 120.080 -4.375 25104 7680 1 9 . 1 1 76 76 LYS HA H 76 4.623 4.623 4.660 -0.037 25104 7681 1 9 . 1 1 76 76 LYS C C 76 173.512 173.512 176.731 -3.219 25104 7682 1 9 . 1 1 76 76 LYS CA C 76 55.975 55.975 56.111 -0.136 25104 7683 1 9 . 1 1 76 76 LYS CB C 76 34.648 34.648 33.334 1.314 25104 7684 1 9 . 1 1 76 76 LYS H H 76 7.034 7.034 7.810 -0.776 25104 7685 1 9 . 1 1 77 77 SER N N 77 114.354 114.354 115.420 -1.066 25104 7686 1 9 . 1 1 77 77 SER HA H 77 5.240 5.240 4.789 0.451 25104 7687 1 9 . 1 1 77 77 SER C C 77 176.746 176.746 176.218 0.528 25104 7688 1 9 . 1 1 77 77 SER CA C 77 57.077 57.077 57.638 -0.561 25104 7689 1 9 . 1 1 77 77 SER CB C 77 69.863 69.863 65.485 4.378 25104 7690 1 9 . 1 1 77 77 SER H H 77 7.793 7.793 8.214 -0.421 25104 7691 1 9 . 1 1 78 78 ILE N N 78 111.394 111.394 114.761 -3.367 25104 7692 1 9 . 1 1 78 78 ILE HA H 78 4.208 4.208 4.336 -0.128 25104 7693 1 9 . 1 1 78 78 ILE C C 78 176.973 176.973 175.550 1.423 25104 7694 1 9 . 1 1 78 78 ILE CA C 78 63.675 63.675 63.218 0.457 25104 7695 1 9 . 1 1 78 78 ILE CB C 78 37.434 37.434 37.879 -0.445 25104 7696 1 9 . 1 1 78 78 ILE H H 78 8.584 8.584 8.526 0.058 25104 7697 1 9 . 1 1 79 79 TYR N N 79 120.757 120.757 117.381 3.376 25104 7698 1 9 . 1 1 79 79 TYR HA H 79 4.718 4.718 4.427 0.291 25104 7699 1 9 . 1 1 79 79 TYR C C 79 176.316 176.316 176.047 0.269 25104 7700 1 9 . 1 1 79 79 TYR CA C 79 56.216 56.216 58.624 -2.408 25104 7701 1 9 . 1 1 79 79 TYR CB C 79 38.891 38.891 38.639 0.251 25104 7702 1 9 . 1 1 79 79 TYR H H 79 8.058 8.058 7.726 0.332 25104 7703 1 9 . 1 1 80 80 GLY N N 80 106.521 106.521 106.208 0.313 25104 7704 1 9 . 1 1 80 80 GLY CA C 80 46.021 46.021 44.888 1.133 25104 7705 1 9 . 1 1 80 80 GLY H H 80 7.152 7.152 7.235 -0.083 25104 7706 1 9 . 1 1 81 81 GLU N N 81 122.638 122.638 122.982 -0.344 25104 7707 1 9 . 1 1 81 81 GLU HA H 81 4.008 4.008 4.051 -0.043 25104 7708 1 9 . 1 1 81 81 GLU C C 81 176.729 176.729 175.444 1.285 25104 7709 1 9 . 1 1 81 81 GLU CA C 81 60.602 60.602 59.380 1.222 25104 7710 1 9 . 1 1 81 81 GLU CB C 81 29.927 29.927 29.959 -0.032 25104 7711 1 9 . 1 1 81 81 GLU H H 81 8.884 8.884 8.659 0.225 25104 7712 1 9 . 1 1 82 82 LYS N N 82 112.369 112.369 112.394 -0.025 25104 7713 1 9 . 1 1 82 82 LYS HA H 82 5.577 5.577 4.589 0.988 25104 7714 1 9 . 1 1 82 82 LYS C C 82 176.495 176.495 174.858 1.637 25104 7715 1 9 . 1 1 82 82 LYS CA C 82 53.906 53.906 55.271 -1.365 25104 7716 1 9 . 1 1 82 82 LYS CB C 82 36.614 36.614 35.559 1.055 25104 7717 1 9 . 1 1 82 82 LYS H H 82 7.845 7.845 7.576 0.269 25104 7718 1 9 . 1 1 83 83 PHE N N 83 116.638 116.638 114.309 2.329 25104 7719 1 9 . 1 1 83 83 PHE HA H 83 5.000 5.000 5.059 -0.059 25104 7720 1 9 . 1 1 83 83 PHE C C 83 174.501 174.501 172.872 1.629 25104 7721 1 9 . 1 1 83 83 PHE CA C 83 56.032 56.032 56.311 -0.279 25104 7722 1 9 . 1 1 83 83 PHE CB C 83 41.258 41.258 41.502 -0.244 25104 7723 1 9 . 1 1 83 83 PHE H H 83 9.184 9.184 8.833 0.351 25104 7724 1 9 . 1 1 84 84 GLU N N 84 119.642 119.642 118.284 1.358 25104 7725 1 9 . 1 1 84 84 GLU HA H 84 3.862 3.862 4.210 -0.348 25104 7726 1 9 . 1 1 84 84 GLU C C 84 177.248 177.248 175.399 1.849 25104 7727 1 9 . 1 1 84 84 GLU CA C 84 56.452 56.452 54.745 1.707 25104 7728 1 9 . 1 1 84 84 GLU CB C 84 29.329 29.329 30.985 -1.656 25104 7729 1 9 . 1 1 84 84 GLU H H 84 9.294 9.294 8.373 0.921 25104 7730 1 9 . 1 1 85 85 ASP N N 85 118.870 118.870 119.683 -0.813 25104 7731 1 9 . 1 1 85 85 ASP HA H 85 4.285 4.285 4.523 -0.238 25104 7732 1 9 . 1 1 85 85 ASP C C 85 177.100 177.100 176.367 0.733 25104 7733 1 9 . 1 1 85 85 ASP CA C 85 54.486 54.486 54.383 0.103 25104 7734 1 9 . 1 1 85 85 ASP CB C 85 40.954 40.954 41.391 -0.437 25104 7735 1 9 . 1 1 85 85 ASP H H 85 8.609 8.609 8.411 0.198 25104 7736 1 9 . 1 1 86 86 GLU N N 86 131.636 131.636 123.473 8.163 25104 7737 1 9 . 1 1 86 86 GLU HA H 86 3.851 3.851 4.176 -0.325 25104 7738 1 9 . 1 1 86 86 GLU C C 86 177.266 177.266 175.135 2.131 25104 7739 1 9 . 1 1 86 86 GLU CA C 86 60.354 60.354 58.303 2.050 25104 7740 1 9 . 1 1 86 86 GLU CB C 86 31.877 31.877 31.002 0.875 25104 7741 1 9 . 1 1 86 86 GLU H H 86 9.474 9.474 8.863 0.611 25104 7742 1 9 . 1 1 87 87 ASN N N 87 106.916 106.916 112.001 -5.085 25104 7743 1 9 . 1 1 87 87 ASN HA H 87 4.187 4.187 4.558 -0.371 25104 7744 1 9 . 1 1 87 87 ASN C C 87 171.751 171.751 173.989 -2.238 25104 7745 1 9 . 1 1 87 87 ASN CA C 87 52.828 52.828 52.119 0.709 25104 7746 1 9 . 1 1 87 87 ASN CB C 87 39.490 39.490 38.647 0.843 25104 7747 1 9 . 1 1 87 87 ASN H H 87 7.084 7.084 7.462 -0.378 25104 7748 1 9 . 1 1 88 88 PHE N N 88 113.116 113.116 120.636 -7.520 25104 7749 1 9 . 1 1 88 88 PHE HA H 88 5.964 5.964 4.793 1.171 25104 7750 1 9 . 1 1 88 88 PHE C C 88 178.688 178.688 175.906 2.782 25104 7751 1 9 . 1 1 88 88 PHE CA C 88 55.847 55.847 57.639 -1.792 25104 7752 1 9 . 1 1 88 88 PHE CB C 88 38.876 38.876 37.433 1.443 25104 7753 1 9 . 1 1 88 88 PHE H H 88 8.356 8.356 8.894 -0.538 25104 7754 1 9 . 1 1 89 89 ILE N N 89 119.794 119.794 119.842 -0.048 25104 7755 1 9 . 1 1 89 89 ILE HA H 89 3.726 3.726 3.874 -0.148 25104 7756 1 9 . 1 1 89 89 ILE C C 89 178.596 178.596 175.957 2.639 25104 7757 1 9 . 1 1 89 89 ILE CA C 89 64.996 64.996 63.897 1.099 25104 7758 1 9 . 1 1 89 89 ILE CB C 89 39.000 39.000 38.250 0.750 25104 7759 1 9 . 1 1 89 89 ILE H H 89 8.314 8.314 7.580 0.734 25104 7760 1 9 . 1 1 90 90 LEU N N 90 117.361 117.361 119.802 -2.441 25104 7761 1 9 . 1 1 90 90 LEU HA H 90 4.516 4.516 4.349 0.167 25104 7762 1 9 . 1 1 90 90 LEU C C 90 177.345 177.345 175.530 1.815 25104 7763 1 9 . 1 1 90 90 LEU CA C 90 54.196 54.196 53.879 0.317 25104 7764 1 9 . 1 1 90 90 LEU CB C 90 42.100 42.100 41.927 0.173 25104 7765 1 9 . 1 1 90 90 LEU H H 90 7.777 7.777 7.993 -0.216 25104 7766 1 9 . 1 1 91 91 LYS N N 91 119.096 119.096 122.323 -3.227 25104 7767 1 9 . 1 1 91 91 LYS HA H 91 4.635 4.635 4.608 0.027 25104 7768 1 9 . 1 1 91 91 LYS C C 91 177.296 177.296 176.590 0.706 25104 7769 1 9 . 1 1 91 91 LYS CA C 91 54.689 54.689 54.944 -0.255 25104 7770 1 9 . 1 1 91 91 LYS CB C 91 34.841 34.841 35.644 -0.803 25104 7771 1 9 . 1 1 91 91 LYS H H 91 8.086 8.086 8.608 -0.522 25104 7772 1 9 . 1 1 92 92 HIS N N 92 122.578 122.578 120.223 2.355 25104 7773 1 9 . 1 1 92 92 HIS HA H 92 4.408 4.408 4.615 -0.207 25104 7774 1 9 . 1 1 92 92 HIS C C 92 178.794 178.794 174.701 4.093 25104 7775 1 9 . 1 1 92 92 HIS CA C 92 56.886 56.886 56.025 0.861 25104 7776 1 9 . 1 1 92 92 HIS CB C 92 26.041 26.041 28.024 -1.983 25104 7777 1 9 . 1 1 92 92 HIS H H 92 10.736 10.736 8.959 1.777 25104 7778 1 9 . 1 1 93 93 THR N N 93 110.479 110.479 114.258 -3.779 25104 7779 1 9 . 1 1 93 93 THR HA H 93 4.056 4.056 4.246 -0.190 25104 7780 1 9 . 1 1 93 93 THR C C 93 176.456 176.456 173.604 2.852 25104 7781 1 9 . 1 1 93 93 THR CA C 93 63.324 63.324 62.673 0.651 25104 7782 1 9 . 1 1 93 93 THR CB C 93 69.416 69.416 68.787 0.629 25104 7783 1 9 . 1 1 93 93 THR H H 93 7.315 7.315 7.484 -0.169 25104 7784 1 9 . 1 1 94 94 GLY N N 94 107.272 107.272 107.781 -0.509 25104 7785 1 9 . 1 1 94 94 GLY C C 94 178.117 178.117 171.778 6.339 25104 7786 1 9 . 1 1 94 94 GLY H H 94 7.530 7.530 7.474 0.056 25104 7787 1 9 . 1 1 95 95 PRO HA H 95 3.856 3.856 4.176 -0.320 25104 7788 1 9 . 1 1 95 95 PRO CA C 95 62.687 62.687 62.570 0.117 25104 7789 1 9 . 1 1 95 95 PRO CB C 95 32.137 32.137 32.362 -0.225 25104 7790 1 9 . 1 1 96 96 GLY N N 96 110.210 110.210 111.571 -1.361 25104 7791 1 9 . 1 1 96 96 GLY C C 96 174.025 174.025 174.780 -0.755 25104 7792 1 9 . 1 1 96 96 GLY CA C 96 45.068 45.068 45.137 -0.069 25104 7793 1 9 . 1 1 96 96 GLY H H 96 9.305 9.305 8.582 0.723 25104 7794 1 9 . 1 1 97 97 ILE N N 97 121.517 121.517 121.578 -0.061 25104 7795 1 9 . 1 1 97 97 ILE HA H 97 4.173 4.173 3.971 0.202 25104 7796 1 9 . 1 1 97 97 ILE C C 97 174.196 174.196 174.404 -0.208 25104 7797 1 9 . 1 1 97 97 ILE CA C 97 59.398 59.398 60.584 -1.187 25104 7798 1 9 . 1 1 97 97 ILE CB C 97 37.922 37.922 36.437 1.486 25104 7799 1 9 . 1 1 97 97 ILE H H 97 6.826 6.826 7.771 -0.945 25104 7800 1 9 . 1 1 98 98 LEU N N 98 128.948 128.948 130.271 -1.323 25104 7801 1 9 . 1 1 98 98 LEU HA H 98 5.010 5.010 4.968 0.042 25104 7802 1 9 . 1 1 98 98 LEU C C 98 175.316 175.316 174.377 0.939 25104 7803 1 9 . 1 1 98 98 LEU CA C 98 53.350 53.350 53.105 0.245 25104 7804 1 9 . 1 1 98 98 LEU CB C 98 43.813 43.813 44.373 -0.560 25104 7805 1 9 . 1 1 98 98 LEU H H 98 7.907 7.907 7.979 -0.072 25104 7806 1 9 . 1 1 99 99 SER N N 99 118.834 118.834 118.636 0.198 25104 7807 1 9 . 1 1 99 99 SER HA H 99 5.346 5.346 4.089 1.257 25104 7808 1 9 . 1 1 99 99 SER C C 99 175.732 175.732 172.427 3.305 25104 7809 1 9 . 1 1 99 99 SER CA C 99 55.011 55.011 56.684 -1.673 25104 7810 1 9 . 1 1 99 99 SER CB C 99 65.370 65.370 65.100 0.270 25104 7811 1 9 . 1 1 99 99 SER H H 99 8.307 8.307 8.265 0.042 25104 7812 1 9 . 1 1 100 100 MET N N 100 123.079 123.079 123.362 -0.283 25104 7813 1 9 . 1 1 100 100 MET HA H 100 5.338 5.338 4.794 0.544 25104 7814 1 9 . 1 1 100 100 MET C C 100 178.920 178.920 175.782 3.138 25104 7815 1 9 . 1 1 100 100 MET CA C 100 53.853 53.853 55.750 -1.897 25104 7816 1 9 . 1 1 100 100 MET H H 100 8.563 8.563 9.143 -0.580 25104 7817 1 9 . 1 1 101 101 ALA N N 101 126.225 126.225 125.569 0.656 25104 7818 1 9 . 1 1 101 101 ALA HA H 101 4.362 4.362 4.584 -0.222 25104 7819 1 9 . 1 1 101 101 ALA C C 101 176.471 176.471 175.803 0.668 25104 7820 1 9 . 1 1 101 101 ALA CA C 101 51.743 51.743 52.805 -1.062 25104 7821 1 9 . 1 1 101 101 ALA CB C 101 19.619 19.619 20.074 -0.455 25104 7822 1 9 . 1 1 101 101 ALA H H 101 8.114 8.114 8.235 -0.121 25104 7823 1 9 . 1 1 102 102 ASN N N 102 113.398 113.398 116.274 -2.876 25104 7824 1 9 . 1 1 102 102 ASN HA H 102 4.647 4.647 4.807 -0.160 25104 7825 1 9 . 1 1 102 102 ASN C C 102 174.740 174.740 173.656 1.084 25104 7826 1 9 . 1 1 102 102 ASN CA C 102 54.102 54.102 52.475 1.627 25104 7827 1 9 . 1 1 102 102 ASN CB C 102 40.597 40.597 40.001 0.596 25104 7828 1 9 . 1 1 102 102 ASN H H 102 8.062 8.062 7.925 0.137 25104 7829 1 9 . 1 1 103 103 ALA N N 103 123.487 123.487 120.129 3.358 25104 7830 1 9 . 1 1 103 103 ALA HA H 103 4.868 4.868 4.643 0.225 25104 7831 1 9 . 1 1 103 103 ALA C C 103 177.823 177.823 176.934 0.889 25104 7832 1 9 . 1 1 103 103 ALA CA C 103 50.380 50.380 52.137 -1.757 25104 7833 1 9 . 1 1 103 103 ALA CB C 103 19.295 19.295 20.501 -1.206 25104 7834 1 9 . 1 1 103 103 ALA H H 103 8.822 8.822 8.508 0.314 25104 7835 1 9 . 1 1 104 104 GLY N N 104 109.271 109.271 106.785 2.486 25104 7836 1 9 . 1 1 104 104 GLY CA C 104 43.559 43.559 45.425 -1.866 25104 7837 1 9 . 1 1 104 104 GLY H H 104 8.181 8.181 7.908 0.273 25104 7838 1 9 . 1 1 105 105 PRO HA H 105 4.385 4.385 4.489 -0.104 25104 7839 1 9 . 1 1 105 105 PRO C C 105 177.209 177.209 177.205 0.004 25104 7840 1 9 . 1 1 105 105 PRO CA C 105 63.976 63.976 62.844 1.132 25104 7841 1 9 . 1 1 105 105 PRO CB C 105 32.136 32.136 32.085 0.051 25104 7842 1 9 . 1 1 106 106 ASN N N 106 119.146 119.146 118.765 0.381 25104 7843 1 9 . 1 1 106 106 ASN HA H 106 4.052 4.052 4.440 -0.388 25104 7844 1 9 . 1 1 106 106 ASN C C 106 175.857 175.857 174.645 1.212 25104 7845 1 9 . 1 1 106 106 ASN CA C 106 54.279 54.279 54.870 -0.591 25104 7846 1 9 . 1 1 106 106 ASN CB C 106 37.248 37.248 38.049 -0.801 25104 7847 1 9 . 1 1 106 106 ASN H H 106 8.912 8.912 9.100 -0.188 25104 7848 1 9 . 1 1 107 107 THR N N 107 110.101 110.101 106.214 3.887 25104 7849 1 9 . 1 1 107 107 THR HA H 107 4.493 4.493 4.323 0.170 25104 7850 1 9 . 1 1 107 107 THR C C 107 174.713 174.713 174.490 0.223 25104 7851 1 9 . 1 1 107 107 THR CA C 107 60.294 60.294 61.699 -1.405 25104 7852 1 9 . 1 1 107 107 THR CB C 107 69.030 69.030 70.037 -1.007 25104 7853 1 9 . 1 1 107 107 THR H H 107 10.191 10.191 7.476 2.715 25104 7854 1 9 . 1 1 108 108 ASN N N 108 120.592 120.592 120.903 -0.311 25104 7855 1 9 . 1 1 108 108 ASN HA H 108 4.210 4.210 4.419 -0.209 25104 7856 1 9 . 1 1 108 108 ASN C C 108 175.078 175.078 175.317 -0.239 25104 7857 1 9 . 1 1 108 108 ASN CA C 108 55.287 55.287 53.471 1.816 25104 7858 1 9 . 1 1 108 108 ASN CB C 108 39.036 39.036 38.567 0.469 25104 7859 1 9 . 1 1 108 108 ASN H H 108 7.410 7.410 7.369 0.041 25104 7860 1 9 . 1 1 109 109 GLY N N 109 110.835 110.835 112.126 -1.291 25104 7861 1 9 . 1 1 109 109 GLY C C 109 172.087 172.087 172.989 -0.902 25104 7862 1 9 . 1 1 109 109 GLY CA C 109 45.940 45.940 45.376 0.564 25104 7863 1 9 . 1 1 109 109 GLY H H 109 9.192 9.192 8.178 1.014 25104 7864 1 9 . 1 1 110 110 SER N N 110 117.149 117.149 115.677 1.472 25104 7865 1 9 . 1 1 110 110 SER HA H 110 4.751 4.751 5.163 -0.412 25104 7866 1 9 . 1 1 110 110 SER C C 110 177.075 177.075 174.131 2.944 25104 7867 1 9 . 1 1 110 110 SER CA C 110 57.526 57.526 56.163 1.363 25104 7868 1 9 . 1 1 110 110 SER CB C 110 66.180 66.180 65.400 0.780 25104 7869 1 9 . 1 1 110 110 SER H H 110 8.793 8.793 7.448 1.345 25104 7870 1 9 . 1 1 111 111 GLN N N 111 124.594 124.594 119.797 4.797 25104 7871 1 9 . 1 1 111 111 GLN HA H 111 4.225 4.225 4.069 0.156 25104 7872 1 9 . 1 1 111 111 GLN C C 111 179.174 179.174 175.161 4.013 25104 7873 1 9 . 1 1 111 111 GLN CA C 111 58.144 58.144 57.606 0.538 25104 7874 1 9 . 1 1 111 111 GLN CB C 111 31.558 31.558 28.633 2.925 25104 7875 1 9 . 1 1 111 111 GLN H H 111 8.438 8.438 8.542 -0.104 25104 7876 1 9 . 1 1 112 112 PHE N N 112 118.008 118.008 113.636 4.372 25104 7877 1 9 . 1 1 112 112 PHE HA H 112 5.806 5.806 5.398 0.408 25104 7878 1 9 . 1 1 112 112 PHE C C 112 172.840 172.840 173.447 -0.607 25104 7879 1 9 . 1 1 112 112 PHE CA C 112 55.584 55.584 55.656 -0.072 25104 7880 1 9 . 1 1 112 112 PHE CB C 112 43.323 43.323 42.832 0.491 25104 7881 1 9 . 1 1 112 112 PHE H H 112 8.120 8.120 8.270 -0.150 25104 7882 1 9 . 1 1 113 113 PHE N N 113 116.406 116.406 114.444 1.962 25104 7883 1 9 . 1 1 113 113 PHE HA H 113 5.739 5.739 5.421 0.318 25104 7884 1 9 . 1 1 113 113 PHE C C 113 175.349 175.349 173.189 2.160 25104 7885 1 9 . 1 1 113 113 PHE CA C 113 54.684 54.684 56.116 -1.432 25104 7886 1 9 . 1 1 113 113 PHE CB C 113 42.825 42.825 42.557 0.268 25104 7887 1 9 . 1 1 113 113 PHE H H 113 9.832 9.832 8.813 1.019 25104 7888 1 9 . 1 1 114 114 ILE N N 114 118.683 118.683 120.322 -1.639 25104 7889 1 9 . 1 1 114 114 ILE HA H 114 4.842 4.842 4.969 -0.127 25104 7890 1 9 . 1 1 114 114 ILE C C 114 178.414 178.414 176.028 2.386 25104 7891 1 9 . 1 1 114 114 ILE CA C 114 60.265 60.265 59.783 0.482 25104 7892 1 9 . 1 1 114 114 ILE CB C 114 40.466 40.466 39.865 0.601 25104 7893 1 9 . 1 1 114 114 ILE H H 114 9.156 9.156 9.086 0.070 25104 7894 1 9 . 1 1 115 115 CYS N N 115 125.524 125.524 128.521 -2.997 25104 7895 1 9 . 1 1 115 115 CYS HA H 115 4.808 4.808 4.441 0.367 25104 7896 1 9 . 1 1 115 115 CYS C C 115 177.658 177.658 176.369 1.289 25104 7897 1 9 . 1 1 115 115 CYS CA C 115 60.803 60.803 58.859 1.944 25104 7898 1 9 . 1 1 115 115 CYS CB C 115 28.723 28.723 25.354 3.369 25104 7899 1 9 . 1 1 115 115 CYS H H 115 9.616 9.616 8.992 0.624 25104 7900 1 9 . 1 1 116 116 THR N N 116 115.801 115.801 118.859 -3.058 25104 7901 1 9 . 1 1 116 116 THR HA H 116 4.380 4.380 4.145 0.235 25104 7902 1 9 . 1 1 116 116 THR C C 116 178.496 178.496 174.644 3.852 25104 7903 1 9 . 1 1 116 116 THR CA C 116 60.844 60.844 64.137 -3.293 25104 7904 1 9 . 1 1 116 116 THR CB C 116 66.730 66.730 69.042 -2.312 25104 7905 1 9 . 1 1 116 116 THR H H 116 8.990 8.990 8.440 0.550 25104 7906 1 9 . 1 1 117 117 ALA N N 117 122.356 122.356 123.527 -1.171 25104 7907 1 9 . 1 1 117 117 ALA HA H 117 4.420 4.420 4.619 -0.199 25104 7908 1 9 . 1 1 117 117 ALA C C 117 176.114 176.114 175.471 0.643 25104 7909 1 9 . 1 1 117 117 ALA CA C 117 50.668 50.668 50.306 0.362 25104 7910 1 9 . 1 1 117 117 ALA CB C 117 22.795 22.795 20.859 1.936 25104 7911 1 9 . 1 1 117 117 ALA H H 117 7.641 7.641 7.369 0.272 25104 7912 1 9 . 1 1 118 118 LYS N N 118 119.855 119.855 118.535 1.320 25104 7913 1 9 . 1 1 118 118 LYS HA H 118 3.840 3.840 4.369 -0.529 25104 7914 1 9 . 1 1 118 118 LYS C C 118 177.211 177.211 176.064 1.147 25104 7915 1 9 . 1 1 118 118 LYS CA C 118 57.913 57.913 56.226 1.687 25104 7916 1 9 . 1 1 118 118 LYS CB C 118 32.708 32.708 30.787 1.921 25104 7917 1 9 . 1 1 118 118 LYS H H 118 8.693 8.693 8.482 0.211 25104 7918 1 9 . 1 1 119 119 THR N N 119 119.004 119.004 116.128 2.876 25104 7919 1 9 . 1 1 119 119 THR HA H 119 3.730 3.730 3.477 0.253 25104 7920 1 9 . 1 1 119 119 THR C C 119 177.928 177.928 174.649 3.279 25104 7921 1 9 . 1 1 119 119 THR CA C 119 57.301 57.301 59.914 -2.613 25104 7922 1 9 . 1 1 119 119 THR CB C 119 68.717 68.717 67.680 1.037 25104 7923 1 9 . 1 1 119 119 THR H H 119 7.373 7.373 8.103 -0.730 25104 7924 1 9 . 1 1 120 120 GLU N N 120 124.713 124.713 123.891 0.822 25104 7925 1 9 . 1 1 120 120 GLU HA H 120 4.162 4.162 4.329 -0.167 25104 7926 1 9 . 1 1 120 120 GLU C C 120 178.190 178.190 177.345 0.845 25104 7927 1 9 . 1 1 120 120 GLU CA C 120 59.334 59.334 57.770 1.564 25104 7928 1 9 . 1 1 120 120 GLU CB C 120 29.322 29.322 29.239 0.083 25104 7929 1 9 . 1 1 120 120 GLU H H 120 9.139 9.139 7.711 1.428 25104 7930 1 9 . 1 1 121 121 TRP N N 121 117.782 117.782 117.194 0.588 25104 7931 1 9 . 1 1 121 121 TRP HA H 121 4.716 4.716 4.524 0.192 25104 7932 1 9 . 1 1 121 121 TRP C C 121 177.244 177.244 176.375 0.869 25104 7933 1 9 . 1 1 121 121 TRP CA C 121 59.748 59.748 57.256 2.492 25104 7934 1 9 . 1 1 121 121 TRP CB C 121 26.947 26.947 28.744 -1.797 25104 7935 1 9 . 1 1 121 121 TRP H H 121 7.297 7.297 7.475 -0.178 25104 7936 1 9 . 1 1 122 122 LEU N N 122 119.806 119.806 118.921 0.885 25104 7937 1 9 . 1 1 122 122 LEU HA H 122 4.315 4.315 4.316 -0.001 25104 7938 1 9 . 1 1 122 122 LEU C C 122 173.304 173.304 176.415 -3.111 25104 7939 1 9 . 1 1 122 122 LEU CA C 122 54.543 54.543 54.263 0.280 25104 7940 1 9 . 1 1 122 122 LEU CB C 122 39.075 39.075 40.470 -1.395 25104 7941 1 9 . 1 1 122 122 LEU H H 122 7.037 7.037 6.743 0.294 25104 7942 1 9 . 1 1 123 123 ASP N N 123 122.205 122.205 121.141 1.064 25104 7943 1 9 . 1 1 123 123 ASP HA H 123 5.222 5.222 4.718 0.504 25104 7944 1 9 . 1 1 123 123 ASP C C 123 179.276 179.276 177.062 2.214 25104 7945 1 9 . 1 1 123 123 ASP CA C 123 55.889 55.889 55.231 0.658 25104 7946 1 9 . 1 1 123 123 ASP CB C 123 39.517 39.517 40.890 -1.373 25104 7947 1 9 . 1 1 123 123 ASP H H 123 7.643 7.643 7.332 0.311 25104 7948 1 9 . 1 1 124 124 GLY N N 124 111.205 111.205 111.556 -0.351 25104 7949 1 9 . 1 1 124 124 GLY C C 124 173.148 173.148 174.530 -1.382 25104 7950 1 9 . 1 1 124 124 GLY CA C 124 45.114 45.114 45.029 0.085 25104 7951 1 9 . 1 1 124 124 GLY H H 124 9.550 9.550 8.585 0.965 25104 7952 1 9 . 1 1 125 125 LYS N N 125 115.408 115.408 120.834 -5.426 25104 7953 1 9 . 1 1 125 125 LYS HA H 125 4.173 4.173 4.363 -0.190 25104 7954 1 9 . 1 1 125 125 LYS C C 125 176.351 176.351 176.335 0.016 25104 7955 1 9 . 1 1 125 125 LYS CA C 125 56.341 56.341 55.741 0.600 25104 7956 1 9 . 1 1 125 125 LYS CB C 125 35.504 35.504 33.601 1.903 25104 7957 1 9 . 1 1 125 125 LYS H H 125 7.765 7.765 7.501 0.264 25104 7958 1 9 . 1 1 126 126 HIS N N 126 119.526 119.526 115.773 3.753 25104 7959 1 9 . 1 1 126 126 HIS HA H 126 4.863 4.863 4.653 0.210 25104 7960 1 9 . 1 1 126 126 HIS C C 126 174.784 174.784 175.603 -0.819 25104 7961 1 9 . 1 1 126 126 HIS CA C 126 54.923 54.923 55.903 -0.980 25104 7962 1 9 . 1 1 126 126 HIS CB C 126 31.675 31.675 30.156 1.519 25104 7963 1 9 . 1 1 126 126 HIS H H 126 7.600 7.600 8.732 -1.132 25104 7964 1 9 . 1 1 127 127 VAL N N 127 125.009 125.009 120.431 4.578 25104 7965 1 9 . 1 1 127 127 VAL HA H 127 4.307 4.307 3.811 0.496 25104 7966 1 9 . 1 1 127 127 VAL C C 127 176.442 176.442 176.674 -0.232 25104 7967 1 9 . 1 1 127 127 VAL CA C 127 63.893 63.893 63.395 0.499 25104 7968 1 9 . 1 1 127 127 VAL CB C 127 33.553 33.553 31.273 2.280 25104 7969 1 9 . 1 1 127 127 VAL H H 127 8.523 8.523 8.106 0.417 25104 7970 1 9 . 1 1 128 128 VAL N N 128 133.065 133.065 125.542 7.523 25104 7971 1 9 . 1 1 128 128 VAL HA H 128 4.176 4.176 3.591 0.585 25104 7972 1 9 . 1 1 128 128 VAL C C 128 176.113 176.113 175.519 0.594 25104 7973 1 9 . 1 1 128 128 VAL CA C 128 63.172 63.172 63.767 -0.595 25104 7974 1 9 . 1 1 128 128 VAL CB C 128 31.612 31.612 31.799 -0.187 25104 7975 1 9 . 1 1 128 128 VAL H H 128 9.474 9.474 7.651 1.823 25104 7976 1 9 . 1 1 129 129 PHE N N 129 117.892 117.892 117.191 0.701 25104 7977 1 9 . 1 1 129 129 PHE HA H 129 5.308 5.308 4.882 0.426 25104 7978 1 9 . 1 1 129 129 PHE C C 129 173.725 173.725 174.216 -0.491 25104 7979 1 9 . 1 1 129 129 PHE CA C 129 55.969 55.969 56.816 -0.847 25104 7980 1 9 . 1 1 129 129 PHE CB C 129 42.581 42.581 41.104 1.477 25104 7981 1 9 . 1 1 129 129 PHE H H 129 8.138 8.138 7.635 0.503 25104 7982 1 9 . 1 1 130 130 GLY N N 130 110.747 110.747 106.482 4.265 25104 7983 1 9 . 1 1 130 130 GLY C C 130 171.591 171.591 172.139 -0.548 25104 7984 1 9 . 1 1 130 130 GLY CA C 130 46.505 46.505 44.020 2.485 25104 7985 1 9 . 1 1 130 130 GLY H H 130 7.356 7.356 7.447 -0.091 25104 7986 1 9 . 1 1 131 131 LYS N N 131 115.453 115.453 119.901 -4.448 25104 7987 1 9 . 1 1 131 131 LYS HA H 131 5.246 5.246 4.960 0.286 25104 7988 1 9 . 1 1 131 131 LYS C C 131 176.109 176.109 174.609 1.500 25104 7989 1 9 . 1 1 131 131 LYS CA C 131 54.887 54.887 55.858 -0.972 25104 7990 1 9 . 1 1 131 131 LYS CB C 131 36.077 36.077 37.237 -1.160 25104 7991 1 9 . 1 1 131 131 LYS H H 131 8.390 8.390 8.123 0.267 25104 7992 1 9 . 1 1 132 132 VAL N N 132 124.311 124.311 126.305 -1.994 25104 7993 1 9 . 1 1 132 132 VAL HA H 132 3.955 3.955 4.098 -0.143 25104 7994 1 9 . 1 1 132 132 VAL C C 132 176.489 176.489 175.339 1.150 25104 7995 1 9 . 1 1 132 132 VAL CA C 132 64.284 64.284 63.137 1.147 25104 7996 1 9 . 1 1 132 132 VAL CB C 132 32.709 32.709 32.800 -0.091 25104 7997 1 9 . 1 1 132 132 VAL H H 132 9.071 9.071 8.676 0.395 25104 7998 1 9 . 1 1 133 133 LYS N N 133 131.670 131.670 127.770 3.900 25104 7999 1 9 . 1 1 133 133 LYS HA H 133 4.483 4.483 4.507 -0.024 25104 8000 1 9 . 1 1 133 133 LYS C C 133 176.283 176.283 176.447 -0.164 25104 8001 1 9 . 1 1 133 133 LYS CA C 133 56.978 56.978 56.480 0.498 25104 8002 1 9 . 1 1 133 133 LYS CB C 133 34.028 34.028 33.753 0.275 25104 8003 1 9 . 1 1 133 133 LYS H H 133 9.494 9.494 8.761 0.733 25104 8004 1 9 . 1 1 134 134 GLU N N 134 118.417 118.417 120.446 -2.029 25104 8005 1 9 . 1 1 134 134 GLU HA H 134 4.639 4.639 4.540 0.099 25104 8006 1 9 . 1 1 134 134 GLU C C 134 175.925 175.925 176.119 -0.194 25104 8007 1 9 . 1 1 134 134 GLU CA C 134 55.235 55.235 55.750 -0.515 25104 8008 1 9 . 1 1 134 134 GLU CB C 134 32.909 32.909 32.325 0.584 25104 8009 1 9 . 1 1 134 134 GLU H H 134 7.571 7.571 7.780 -0.209 25104 8010 1 9 . 1 1 135 135 GLY N N 135 108.109 108.109 110.833 -2.724 25104 8011 1 9 . 1 1 135 135 GLY C C 135 178.060 178.060 175.466 2.594 25104 8012 1 9 . 1 1 135 135 GLY CA C 135 46.195 46.195 45.411 0.784 25104 8013 1 9 . 1 1 135 135 GLY H H 135 8.695 8.695 8.840 -0.145 25104 8014 1 9 . 1 1 136 136 MET N N 136 122.582 122.582 119.660 2.922 25104 8015 1 9 . 1 1 136 136 MET HA H 136 4.496 4.496 4.249 0.247 25104 8016 1 9 . 1 1 136 136 MET C C 136 178.649 178.649 176.977 1.672 25104 8017 1 9 . 1 1 136 136 MET CA C 136 56.829 56.829 57.878 -1.049 25104 8018 1 9 . 1 1 136 136 MET CB C 136 30.215 30.215 32.313 -2.098 25104 8019 1 9 . 1 1 136 136 MET H H 136 8.854 8.854 8.312 0.542 25104 8020 1 9 . 1 1 137 137 ASN N N 137 114.457 114.457 116.508 -2.051 25104 8021 1 9 . 1 1 137 137 ASN HA H 137 4.504 4.504 4.610 -0.106 25104 8022 1 9 . 1 1 137 137 ASN C C 137 178.441 178.441 177.736 0.705 25104 8023 1 9 . 1 1 137 137 ASN CA C 137 55.819 55.819 56.650 -0.831 25104 8024 1 9 . 1 1 137 137 ASN CB C 137 36.016 36.016 37.895 -1.879 25104 8025 1 9 . 1 1 137 137 ASN H H 137 8.932 8.932 8.534 0.398 25104 8026 1 9 . 1 1 138 138 ILE N N 138 124.190 124.190 119.854 4.336 25104 8027 1 9 . 1 1 138 138 ILE HA H 138 3.800 3.800 3.926 -0.126 25104 8028 1 9 . 1 1 138 138 ILE C C 138 178.595 178.595 177.834 0.761 25104 8029 1 9 . 1 1 138 138 ILE CA C 138 61.581 61.581 63.625 -2.044 25104 8030 1 9 . 1 1 138 138 ILE CB C 138 34.468 34.468 36.881 -2.413 25104 8031 1 9 . 1 1 138 138 ILE H H 138 7.686 7.686 7.617 0.069 25104 8032 1 9 . 1 1 139 139 VAL N N 139 121.912 121.912 120.149 1.763 25104 8033 1 9 . 1 1 139 139 VAL HA H 139 3.879 3.879 3.593 0.286 25104 8034 1 9 . 1 1 139 139 VAL C C 139 179.051 179.051 178.647 0.404 25104 8035 1 9 . 1 1 139 139 VAL CA C 139 66.206 66.206 66.869 -0.663 25104 8036 1 9 . 1 1 139 139 VAL CB C 139 31.195 31.195 30.727 0.468 25104 8037 1 9 . 1 1 139 139 VAL H H 139 7.286 7.286 7.908 -0.622 25104 8038 1 9 . 1 1 140 140 GLU N N 140 117.357 117.357 119.095 -1.738 25104 8039 1 9 . 1 1 140 140 GLU HA H 140 4.095 4.095 4.018 0.077 25104 8040 1 9 . 1 1 140 140 GLU C C 140 180.486 180.486 179.000 1.486 25104 8041 1 9 . 1 1 140 140 GLU CA C 140 59.336 59.336 59.275 0.061 25104 8042 1 9 . 1 1 140 140 GLU CB C 140 30.199 30.199 29.288 0.911 25104 8043 1 9 . 1 1 140 140 GLU H H 140 8.309 8.309 7.960 0.349 25104 8044 1 9 . 1 1 141 141 ALA N N 141 121.133 121.133 121.465 -0.332 25104 8045 1 9 . 1 1 141 141 ALA HA H 141 4.118 4.118 4.144 -0.026 25104 8046 1 9 . 1 1 141 141 ALA C C 141 181.524 181.524 178.990 2.534 25104 8047 1 9 . 1 1 141 141 ALA CA C 141 54.771 54.771 54.764 0.007 25104 8048 1 9 . 1 1 141 141 ALA CB C 141 18.207 18.207 18.616 -0.409 25104 8049 1 9 . 1 1 141 141 ALA H H 141 7.539 7.539 7.785 -0.245 25104 8050 1 9 . 1 1 142 142 MET N N 142 117.513 117.513 115.236 2.277 25104 8051 1 9 . 1 1 142 142 MET HA H 142 3.993 3.993 4.751 -0.758 25104 8052 1 9 . 1 1 142 142 MET C C 142 178.862 178.862 178.322 0.540 25104 8053 1 9 . 1 1 142 142 MET CA C 142 59.678 59.678 58.294 1.383 25104 8054 1 9 . 1 1 142 142 MET CB C 142 33.723 33.723 32.901 0.822 25104 8055 1 9 . 1 1 142 142 MET H H 142 8.284 8.284 7.974 0.310 25104 8056 1 9 . 1 1 143 143 GLU N N 143 116.365 116.365 121.295 -4.930 25104 8057 1 9 . 1 1 143 143 GLU HA H 143 3.772 3.772 4.035 -0.263 25104 8058 1 9 . 1 1 143 143 GLU C C 143 179.051 179.051 178.727 0.324 25104 8059 1 9 . 1 1 143 143 GLU CA C 143 59.345 59.345 59.576 -0.231 25104 8060 1 9 . 1 1 143 143 GLU CB C 143 30.470 30.470 29.544 0.926 25104 8061 1 9 . 1 1 143 143 GLU H H 143 7.853 7.853 7.971 -0.118 25104 8062 1 9 . 1 1 144 144 ARG N N 144 114.753 114.753 116.708 -1.955 25104 8063 1 9 . 1 1 144 144 ARG HA H 144 3.978 3.978 4.037 -0.059 25104 8064 1 9 . 1 1 144 144 ARG C C 144 178.222 178.222 177.434 0.788 25104 8065 1 9 . 1 1 144 144 ARG CA C 144 57.669 57.669 57.953 -0.284 25104 8066 1 9 . 1 1 144 144 ARG CB C 144 29.523 29.523 29.784 -0.261 25104 8067 1 9 . 1 1 144 144 ARG H H 144 7.082 7.082 7.670 -0.588 25104 8068 1 9 . 1 1 145 145 PHE N N 145 115.388 115.388 116.284 -0.896 25104 8069 1 9 . 1 1 145 145 PHE HA H 145 4.851 4.851 4.504 0.347 25104 8070 1 9 . 1 1 145 145 PHE C C 145 176.868 176.868 175.914 0.954 25104 8071 1 9 . 1 1 145 145 PHE CA C 145 57.717 57.717 59.026 -1.309 25104 8072 1 9 . 1 1 145 145 PHE CB C 145 38.998 38.998 38.829 0.169 25104 8073 1 9 . 1 1 145 145 PHE H H 145 7.651 7.651 7.465 0.186 25104 8074 1 9 . 1 1 146 146 GLY N N 146 104.842 104.842 107.336 -2.494 25104 8075 1 9 . 1 1 146 146 GLY C C 146 172.946 172.946 173.888 -0.942 25104 8076 1 9 . 1 1 146 146 GLY CA C 146 44.065 44.065 45.120 -1.055 25104 8077 1 9 . 1 1 146 146 GLY H H 146 7.551 7.551 7.636 -0.085 25104 8078 1 9 . 1 1 147 147 SER N N 147 110.079 110.079 113.721 -3.642 25104 8079 1 9 . 1 1 147 147 SER HA H 147 4.813 4.813 4.814 -0.001 25104 8080 1 9 . 1 1 147 147 SER C C 147 176.384 176.384 175.394 0.990 25104 8081 1 9 . 1 1 147 147 SER CA C 147 58.165 58.165 57.149 1.016 25104 8082 1 9 . 1 1 147 147 SER CB C 147 65.804 65.804 66.760 -0.955 25104 8083 1 9 . 1 1 147 147 SER H H 147 8.229 8.229 8.101 0.128 25104 8084 1 9 . 1 1 148 148 ARG N N 148 120.299 120.299 122.195 -1.896 25104 8085 1 9 . 1 1 148 148 ARG HA H 148 4.221 4.221 4.207 0.014 25104 8086 1 9 . 1 1 148 148 ARG C C 148 177.709 177.709 176.413 1.296 25104 8087 1 9 . 1 1 148 148 ARG CA C 148 59.810 59.810 58.430 1.380 25104 8088 1 9 . 1 1 148 148 ARG CB C 148 29.896 29.896 29.419 0.477 25104 8089 1 9 . 1 1 148 148 ARG H H 148 8.850 8.850 8.790 0.060 25104 8090 1 9 . 1 1 149 149 ASN N N 149 111.689 111.689 114.849 -3.160 25104 8091 1 9 . 1 1 149 149 ASN HA H 149 4.901 4.901 4.694 0.207 25104 8092 1 9 . 1 1 149 149 ASN C C 149 177.708 177.708 175.905 1.803 25104 8093 1 9 . 1 1 149 149 ASN CA C 149 52.305 52.305 52.703 -0.398 25104 8094 1 9 . 1 1 149 149 ASN CB C 149 38.477 38.477 38.010 0.467 25104 8095 1 9 . 1 1 149 149 ASN H H 149 7.891 7.891 8.042 -0.151 25104 8096 1 9 . 1 1 150 150 GLY N N 150 110.138 110.138 108.486 1.652 25104 8097 1 9 . 1 1 150 150 GLY C C 150 174.368 174.368 174.060 0.308 25104 8098 1 9 . 1 1 150 150 GLY CA C 150 45.257 45.257 44.954 0.303 25104 8099 1 9 . 1 1 150 150 GLY H H 150 8.087 8.087 8.080 0.007 25104 8100 1 9 . 1 1 151 151 LYS N N 151 119.859 119.859 121.934 -2.075 25104 8101 1 9 . 1 1 151 151 LYS HA H 151 4.466 4.466 4.278 0.188 25104 8102 1 9 . 1 1 151 151 LYS C C 151 179.533 179.533 175.934 3.599 25104 8103 1 9 . 1 1 151 151 LYS CA C 151 57.088 57.088 56.737 0.351 25104 8104 1 9 . 1 1 151 151 LYS CB C 151 32.435 32.435 33.340 -0.905 25104 8105 1 9 . 1 1 151 151 LYS H H 151 7.534 7.534 7.756 -0.222 25104 8106 1 9 . 1 1 152 152 THR N N 152 116.442 116.442 116.118 0.324 25104 8107 1 9 . 1 1 152 152 THR HA H 152 5.579 5.579 4.924 0.655 25104 8108 1 9 . 1 1 152 152 THR C C 152 176.969 176.969 174.807 2.162 25104 8109 1 9 . 1 1 152 152 THR CA C 152 60.097 60.097 59.944 0.153 25104 8110 1 9 . 1 1 152 152 THR CB C 152 71.324 71.324 70.395 0.929 25104 8111 1 9 . 1 1 152 152 THR H H 152 8.837 8.837 8.287 0.550 25104 8112 1 9 . 1 1 153 153 SER N N 153 117.113 117.113 119.711 -2.598 25104 8113 1 9 . 1 1 153 153 SER HA H 153 4.574 4.574 4.368 0.206 25104 8114 1 9 . 1 1 153 153 SER C C 153 175.737 175.737 173.892 1.845 25104 8115 1 9 . 1 1 153 153 SER CA C 153 58.222 58.222 60.756 -2.534 25104 8116 1 9 . 1 1 153 153 SER CB C 153 63.922 63.922 63.703 0.219 25104 8117 1 9 . 1 1 153 153 SER H H 153 9.424 9.424 8.957 0.467 25104 8118 1 9 . 1 1 154 154 LYS N N 154 119.347 119.347 118.698 0.649 25104 8119 1 9 . 1 1 154 154 LYS HA H 154 4.594 4.594 4.433 0.161 25104 8120 1 9 . 1 1 154 154 LYS C C 154 175.436 175.436 175.152 0.284 25104 8121 1 9 . 1 1 154 154 LYS CA C 154 54.578 54.578 53.901 0.677 25104 8122 1 9 . 1 1 154 154 LYS CB C 154 38.443 38.443 34.701 3.742 25104 8123 1 9 . 1 1 154 154 LYS H H 154 7.566 7.566 7.571 -0.005 25104 8124 1 9 . 1 1 155 155 LYS N N 155 121.869 121.869 125.287 -3.418 25104 8125 1 9 . 1 1 155 155 LYS HA H 155 4.348 4.348 4.312 0.036 25104 8126 1 9 . 1 1 155 155 LYS C C 155 176.946 176.946 176.076 0.870 25104 8127 1 9 . 1 1 155 155 LYS CA C 155 56.325 56.325 55.522 0.803 25104 8128 1 9 . 1 1 155 155 LYS CB C 155 32.136 32.136 30.898 1.238 25104 8129 1 9 . 1 1 155 155 LYS H H 155 8.820 8.820 8.577 0.243 25104 8130 1 9 . 1 1 156 156 ILE N N 156 134.145 134.145 128.476 5.669 25104 8131 1 9 . 1 1 156 156 ILE HA H 156 5.134 5.134 5.038 0.096 25104 8132 1 9 . 1 1 156 156 ILE C C 156 177.451 177.451 175.748 1.703 25104 8133 1 9 . 1 1 156 156 ILE CA C 156 59.538 59.538 61.215 -1.677 25104 8134 1 9 . 1 1 156 156 ILE CB C 156 37.167 37.167 38.581 -1.414 25104 8135 1 9 . 1 1 156 156 ILE H H 156 9.609 9.609 8.085 1.524 25104 8136 1 9 . 1 1 157 157 THR N N 157 117.447 117.447 120.589 -3.142 25104 8137 1 9 . 1 1 157 157 THR HA H 157 5.311 5.311 5.096 0.215 25104 8138 1 9 . 1 1 157 157 THR C C 157 174.572 174.572 173.357 1.215 25104 8139 1 9 . 1 1 157 157 THR CA C 157 59.679 59.679 60.198 -0.519 25104 8140 1 9 . 1 1 157 157 THR CB C 157 72.708 72.708 71.513 1.195 25104 8141 1 9 . 1 1 157 157 THR H H 157 9.281 9.281 8.777 0.504 25104 8142 1 9 . 1 1 158 158 ILE N N 158 121.950 121.950 125.834 -3.884 25104 8143 1 9 . 1 1 158 158 ILE HA H 158 4.293 4.293 4.344 -0.051 25104 8144 1 9 . 1 1 158 158 ILE C C 158 175.631 175.631 176.813 -1.182 25104 8145 1 9 . 1 1 158 158 ILE CA C 158 60.992 60.992 62.166 -1.174 25104 8146 1 9 . 1 1 158 158 ILE CB C 158 36.826 36.826 36.545 0.281 25104 8147 1 9 . 1 1 158 158 ILE H H 158 8.624 8.624 8.395 0.229 25104 8148 1 9 . 1 1 159 159 ALA N N 159 132.727 132.727 131.486 1.241 25104 8149 1 9 . 1 1 159 159 ALA HA H 159 4.179 4.179 4.007 0.172 25104 8150 1 9 . 1 1 159 159 ALA C C 159 179.489 179.489 176.541 2.948 25104 8151 1 9 . 1 1 159 159 ALA CA C 159 54.243 54.243 55.120 -0.877 25104 8152 1 9 . 1 1 159 159 ALA CB C 159 18.804 18.804 19.335 -0.531 25104 8153 1 9 . 1 1 159 159 ALA H H 159 8.910 8.910 8.928 -0.018 25104 8154 1 9 . 1 1 160 160 ASP N N 160 111.561 111.561 113.514 -1.953 25104 8155 1 9 . 1 1 160 160 ASP HA H 160 4.937 4.937 4.914 0.023 25104 8156 1 9 . 1 1 160 160 ASP C C 160 173.920 173.920 174.231 -0.311 25104 8157 1 9 . 1 1 160 160 ASP CA C 160 52.873 52.873 53.683 -0.810 25104 8158 1 9 . 1 1 160 160 ASP CB C 160 43.620 43.620 43.454 0.166 25104 8159 1 9 . 1 1 160 160 ASP H H 160 8.107 8.107 7.698 0.409 25104 8160 1 9 . 1 1 161 161 CYS N N 161 116.145 116.145 119.046 -2.901 25104 8161 1 9 . 1 1 161 161 CYS HA H 161 4.626 4.626 5.738 -1.112 25104 8162 1 9 . 1 1 161 161 CYS C C 161 173.426 173.426 174.944 -1.518 25104 8163 1 9 . 1 1 161 161 CYS CA C 161 55.518 55.518 56.777 -1.259 25104 8164 1 9 . 1 1 161 161 CYS CB C 161 31.463 31.463 32.217 -0.754 25104 8165 1 9 . 1 1 161 161 CYS H H 161 8.640 8.640 8.488 0.152 25104 8166 1 9 . 1 1 162 162 GLY N N 162 104.114 104.114 107.332 -3.218 25104 8167 1 9 . 1 1 162 162 GLY C C 162 171.116 171.116 172.935 -1.819 25104 8168 1 9 . 1 1 162 162 GLY CA C 162 45.436 45.436 44.704 0.732 25104 8169 1 9 . 1 1 162 162 GLY H H 162 6.889 6.889 8.488 -1.599 25104 8170 1 9 . 1 1 163 163 GLN N N 163 121.022 121.022 118.987 2.035 25104 8171 1 9 . 1 1 163 163 GLN HA H 163 5.150 5.150 4.324 0.826 25104 8172 1 9 . 1 1 163 163 GLN C C 163 176.548 176.548 175.344 1.204 25104 8173 1 9 . 1 1 163 163 GLN CA C 163 54.794 54.794 55.611 -0.817 25104 8174 1 9 . 1 1 163 163 GLN CB C 163 30.765 30.765 29.334 1.431 25104 8175 1 9 . 1 1 163 163 GLN H H 163 9.062 9.062 7.925 1.137 25104 8176 1 9 . 1 1 164 164 LEU N N 164 126.034 126.034 127.800 -1.766 25104 8177 1 9 . 1 1 164 164 LEU HA H 164 4.641 4.641 4.310 0.331 25104 8178 1 9 . 1 1 164 164 LEU C C 164 177.108 177.108 176.481 0.627 25104 8179 1 9 . 1 1 164 164 LEU CA C 164 55.036 55.036 54.153 0.883 25104 8180 1 9 . 1 1 164 164 LEU CB C 164 43.560 43.560 40.104 3.456 25104 8181 1 9 . 1 1 164 164 LEU H H 164 8.639 8.639 8.511 0.128 25104 8182 1 10 . 1 1 2 2 VAL N N 2 111.261 111.261 121.652 -10.391 25104 8183 1 10 . 1 1 2 2 VAL HA H 2 4.126 4.126 3.892 0.234 25104 8184 1 10 . 1 1 2 2 VAL C C 2 176.404 176.404 175.061 1.343 25104 8185 1 10 . 1 1 2 2 VAL CA C 2 61.417 61.417 63.909 -2.492 25104 8186 1 10 . 1 1 2 2 VAL CB C 2 33.763 33.763 32.008 1.755 25104 8187 1 10 . 1 1 2 2 VAL H H 2 8.447 8.447 8.457 -0.010 25104 8188 1 10 . 1 1 3 3 ASN N N 3 126.056 126.056 119.404 6.652 25104 8189 1 10 . 1 1 3 3 ASN HA H 3 5.205 5.205 4.774 0.431 25104 8190 1 10 . 1 1 3 3 ASN CA C 3 50.987 50.987 52.567 -1.580 25104 8191 1 10 . 1 1 3 3 ASN CB C 3 38.031 38.031 38.626 -0.595 25104 8192 1 10 . 1 1 3 3 ASN H H 3 8.666 8.666 8.038 0.628 25104 8193 1 10 . 1 1 4 4 PRO HA H 4 4.818 4.818 4.422 0.396 25104 8194 1 10 . 1 1 4 4 PRO C C 4 176.242 176.242 175.776 0.466 25104 8195 1 10 . 1 1 4 4 PRO CA C 4 62.832 62.832 62.894 -0.062 25104 8196 1 10 . 1 1 4 4 PRO CB C 4 33.162 33.162 32.626 0.536 25104 8197 1 10 . 1 1 5 5 THR N N 5 115.265 115.265 115.357 -0.092 25104 8198 1 10 . 1 1 5 5 THR HA H 5 5.759 5.759 5.140 0.619 25104 8199 1 10 . 1 1 5 5 THR C C 5 176.483 176.483 174.265 2.218 25104 8200 1 10 . 1 1 5 5 THR CA C 5 60.867 60.867 61.121 -0.254 25104 8201 1 10 . 1 1 5 5 THR CB C 5 71.050 71.050 71.997 -0.947 25104 8202 1 10 . 1 1 5 5 THR H H 5 8.787 8.787 8.020 0.767 25104 8203 1 10 . 1 1 6 6 VAL N N 6 120.640 120.640 120.662 -0.022 25104 8204 1 10 . 1 1 6 6 VAL HA H 6 5.379 5.379 4.485 0.894 25104 8205 1 10 . 1 1 6 6 VAL C C 6 174.710 174.710 173.828 0.882 25104 8206 1 10 . 1 1 6 6 VAL CA C 6 58.881 58.881 59.850 -0.969 25104 8207 1 10 . 1 1 6 6 VAL CB C 6 36.180 36.180 33.849 2.330 25104 8208 1 10 . 1 1 6 6 VAL H H 6 8.805 8.805 8.901 -0.096 25104 8209 1 10 . 1 1 7 7 PHE N N 7 119.359 119.359 124.712 -5.353 25104 8210 1 10 . 1 1 7 7 PHE HA H 7 5.948 5.948 5.222 0.726 25104 8211 1 10 . 1 1 7 7 PHE C C 7 173.634 173.634 173.484 0.150 25104 8212 1 10 . 1 1 7 7 PHE CA C 7 55.925 55.925 55.811 0.114 25104 8213 1 10 . 1 1 7 7 PHE CB C 7 43.166 43.166 42.461 0.705 25104 8214 1 10 . 1 1 7 7 PHE H H 7 8.995 8.995 8.115 0.880 25104 8215 1 10 . 1 1 8 8 PHE N N 8 117.097 117.097 123.721 -6.624 25104 8216 1 10 . 1 1 8 8 PHE HA H 8 5.367 5.367 5.410 -0.043 25104 8217 1 10 . 1 1 8 8 PHE C C 8 176.000 176.000 174.110 1.890 25104 8218 1 10 . 1 1 8 8 PHE CA C 8 53.460 53.460 54.995 -1.535 25104 8219 1 10 . 1 1 8 8 PHE CB C 8 42.791 42.791 43.407 -0.616 25104 8220 1 10 . 1 1 8 8 PHE H H 8 9.571 9.571 8.690 0.881 25104 8221 1 10 . 1 1 9 9 ASP N N 9 124.287 124.287 121.846 2.441 25104 8222 1 10 . 1 1 9 9 ASP HA H 9 5.585 5.585 4.986 0.600 25104 8223 1 10 . 1 1 9 9 ASP C C 9 176.286 176.286 174.921 1.365 25104 8224 1 10 . 1 1 9 9 ASP CA C 9 54.831 54.831 53.759 1.072 25104 8225 1 10 . 1 1 9 9 ASP CB C 9 41.366 41.366 43.241 -1.875 25104 8226 1 10 . 1 1 9 9 ASP H H 9 9.301 9.301 8.771 0.530 25104 8227 1 10 . 1 1 10 10 ILE N N 10 124.286 124.286 123.717 0.569 25104 8228 1 10 . 1 1 10 10 ILE HA H 10 5.213 5.213 4.432 0.781 25104 8229 1 10 . 1 1 10 10 ILE C C 10 177.031 177.031 174.729 2.302 25104 8230 1 10 . 1 1 10 10 ILE CA C 10 58.233 58.233 59.360 -1.127 25104 8231 1 10 . 1 1 10 10 ILE CB C 10 37.769 37.769 37.514 0.255 25104 8232 1 10 . 1 1 10 10 ILE H H 10 9.059 9.059 8.358 0.701 25104 8233 1 10 . 1 1 11 11 ALA N N 11 132.503 132.503 130.676 1.827 25104 8234 1 10 . 1 1 11 11 ALA HA H 11 5.216 5.216 5.116 0.100 25104 8235 1 10 . 1 1 11 11 ALA C C 11 175.928 175.928 175.555 0.373 25104 8236 1 10 . 1 1 11 11 ALA CA C 11 50.948 50.948 50.807 0.141 25104 8237 1 10 . 1 1 11 11 ALA CB C 11 22.804 22.804 21.427 1.377 25104 8238 1 10 . 1 1 11 11 ALA H H 11 9.642 9.642 8.701 0.941 25104 8239 1 10 . 1 1 12 12 VAL N N 12 118.551 118.551 125.211 -6.660 25104 8240 1 10 . 1 1 12 12 VAL HA H 12 4.578 4.578 3.965 0.613 25104 8241 1 10 . 1 1 12 12 VAL C C 12 177.347 177.347 176.020 1.327 25104 8242 1 10 . 1 1 12 12 VAL CA C 12 60.457 60.457 62.249 -1.792 25104 8243 1 10 . 1 1 12 12 VAL CB C 12 33.301 33.301 32.620 0.681 25104 8244 1 10 . 1 1 12 12 VAL H H 12 8.984 8.984 8.223 0.761 25104 8245 1 10 . 1 1 13 13 ASP N N 13 131.009 131.009 127.986 3.023 25104 8246 1 10 . 1 1 13 13 ASP HA H 13 4.359 4.359 4.198 0.161 25104 8247 1 10 . 1 1 13 13 ASP C C 13 176.795 176.795 176.634 0.161 25104 8248 1 10 . 1 1 13 13 ASP CA C 13 55.880 55.880 55.448 0.432 25104 8249 1 10 . 1 1 13 13 ASP CB C 13 39.999 39.999 39.575 0.424 25104 8250 1 10 . 1 1 13 13 ASP H H 13 9.868 9.868 8.934 0.934 25104 8251 1 10 . 1 1 14 14 GLY N N 14 101.848 101.848 105.321 -3.473 25104 8252 1 10 . 1 1 14 14 GLY C C 14 174.700 174.700 174.297 0.403 25104 8253 1 10 . 1 1 14 14 GLY CA C 14 45.303 45.303 45.345 -0.042 25104 8254 1 10 . 1 1 14 14 GLY H H 14 8.578 8.578 8.004 0.574 25104 8255 1 10 . 1 1 15 15 GLU N N 15 123.331 123.331 122.314 1.017 25104 8256 1 10 . 1 1 15 15 GLU HA H 15 4.891 4.891 4.681 0.210 25104 8257 1 10 . 1 1 15 15 GLU CA C 15 52.932 52.932 53.246 -0.314 25104 8258 1 10 . 1 1 15 15 GLU CB C 15 30.468 30.468 29.621 0.847 25104 8259 1 10 . 1 1 15 15 GLU H H 15 8.086 8.086 7.689 0.397 25104 8260 1 10 . 1 1 16 16 PRO HA H 16 4.240 4.240 4.386 -0.146 25104 8261 1 10 . 1 1 16 16 PRO C C 16 177.072 177.072 176.363 0.709 25104 8262 1 10 . 1 1 16 16 PRO CA C 16 64.838 64.838 63.852 0.986 25104 8263 1 10 . 1 1 16 16 PRO CB C 16 32.368 32.368 31.576 0.791 25104 8264 1 10 . 1 1 17 17 LEU N N 17 126.051 126.051 127.000 -0.949 25104 8265 1 10 . 1 1 17 17 LEU HA H 17 4.739 4.739 4.241 0.498 25104 8266 1 10 . 1 1 17 17 LEU C C 17 176.975 176.975 176.911 0.064 25104 8267 1 10 . 1 1 17 17 LEU CA C 17 55.511 55.511 55.633 -0.122 25104 8268 1 10 . 1 1 17 17 LEU CB C 17 44.257 44.257 43.153 1.104 25104 8269 1 10 . 1 1 17 17 LEU H H 17 9.237 9.237 8.477 0.760 25104 8270 1 10 . 1 1 18 18 GLY N N 18 102.496 102.496 105.206 -2.710 25104 8271 1 10 . 1 1 18 18 GLY C C 18 170.997 170.997 171.329 -0.332 25104 8272 1 10 . 1 1 18 18 GLY CA C 18 44.713 44.713 44.584 0.129 25104 8273 1 10 . 1 1 18 18 GLY H H 18 7.303 7.303 7.528 -0.225 25104 8274 1 10 . 1 1 19 19 ARG N N 19 121.330 121.330 119.365 1.965 25104 8275 1 10 . 1 1 19 19 ARG HA H 19 5.665 5.665 4.835 0.830 25104 8276 1 10 . 1 1 19 19 ARG C C 19 176.011 176.011 174.639 1.372 25104 8277 1 10 . 1 1 19 19 ARG CA C 19 55.106 55.106 54.846 0.260 25104 8278 1 10 . 1 1 19 19 ARG CB C 19 33.587 33.587 32.928 0.659 25104 8279 1 10 . 1 1 19 19 ARG H H 19 8.348 8.348 8.282 0.066 25104 8280 1 10 . 1 1 20 20 VAL N N 20 126.859 126.859 121.933 4.926 25104 8281 1 10 . 1 1 20 20 VAL HA H 20 4.650 4.650 4.585 0.065 25104 8282 1 10 . 1 1 20 20 VAL C C 20 174.836 174.836 174.314 0.522 25104 8283 1 10 . 1 1 20 20 VAL CA C 20 59.966 59.966 61.351 -1.385 25104 8284 1 10 . 1 1 20 20 VAL CB C 20 35.034 35.034 36.035 -1.001 25104 8285 1 10 . 1 1 20 20 VAL H H 20 9.400 9.400 8.302 1.098 25104 8286 1 10 . 1 1 21 21 SER N N 21 120.319 120.319 119.785 0.534 25104 8287 1 10 . 1 1 21 21 SER HA H 21 5.565 5.565 5.358 0.207 25104 8288 1 10 . 1 1 21 21 SER C C 21 174.694 174.694 173.182 1.512 25104 8289 1 10 . 1 1 21 21 SER CA C 21 55.462 55.462 56.851 -1.389 25104 8290 1 10 . 1 1 21 21 SER CB C 21 66.546 66.546 65.677 0.869 25104 8291 1 10 . 1 1 21 21 SER H H 21 8.791 8.791 8.419 0.372 25104 8292 1 10 . 1 1 22 22 PHE N N 22 119.239 119.239 122.746 -3.507 25104 8293 1 10 . 1 1 22 22 PHE HA H 22 5.279 5.279 5.045 0.234 25104 8294 1 10 . 1 1 22 22 PHE C C 22 176.190 176.190 175.038 1.152 25104 8295 1 10 . 1 1 22 22 PHE CA C 22 55.882 55.882 56.312 -0.430 25104 8296 1 10 . 1 1 22 22 PHE CB C 22 42.673 42.673 41.483 1.190 25104 8297 1 10 . 1 1 22 22 PHE H H 22 9.553 9.553 9.303 0.250 25104 8298 1 10 . 1 1 23 23 GLU N N 23 123.308 123.308 124.271 -0.963 25104 8299 1 10 . 1 1 23 23 GLU HA H 23 4.797 4.797 4.431 0.366 25104 8300 1 10 . 1 1 23 23 GLU C C 23 175.673 175.673 175.701 -0.028 25104 8301 1 10 . 1 1 23 23 GLU CA C 23 55.119 55.119 55.561 -0.442 25104 8302 1 10 . 1 1 23 23 GLU CB C 23 32.058 32.058 30.305 1.753 25104 8303 1 10 . 1 1 23 23 GLU H H 23 8.791 8.791 8.775 0.016 25104 8304 1 10 . 1 1 24 24 LEU N N 24 122.539 122.539 127.770 -5.231 25104 8305 1 10 . 1 1 24 24 LEU HA H 24 4.749 4.749 4.629 0.120 25104 8306 1 10 . 1 1 24 24 LEU C C 24 178.229 178.229 177.388 0.841 25104 8307 1 10 . 1 1 24 24 LEU CA C 24 51.899 51.899 54.314 -2.415 25104 8308 1 10 . 1 1 24 24 LEU CB C 24 43.248 43.248 42.456 0.792 25104 8309 1 10 . 1 1 24 24 LEU H H 24 8.198 8.198 8.655 -0.457 25104 8310 1 10 . 1 1 25 25 PHE N N 25 124.715 124.715 123.727 0.988 25104 8311 1 10 . 1 1 25 25 PHE HA H 25 5.171 5.171 4.809 0.362 25104 8312 1 10 . 1 1 25 25 PHE C C 25 177.485 177.485 175.465 2.020 25104 8313 1 10 . 1 1 25 25 PHE CA C 25 54.699 54.699 57.188 -2.489 25104 8314 1 10 . 1 1 25 25 PHE CB C 25 36.100 36.100 36.692 -0.592 25104 8315 1 10 . 1 1 25 25 PHE H H 25 8.864 8.864 9.049 -0.185 25104 8316 1 10 . 1 1 26 26 ALA N N 26 128.663 128.663 124.824 3.839 25104 8317 1 10 . 1 1 26 26 ALA HA H 26 3.838 3.838 4.192 -0.354 25104 8318 1 10 . 1 1 26 26 ALA C C 26 177.291 177.291 177.771 -0.480 25104 8319 1 10 . 1 1 26 26 ALA CA C 26 54.316 54.316 54.245 0.071 25104 8320 1 10 . 1 1 26 26 ALA CB C 26 19.002 19.002 18.539 0.463 25104 8321 1 10 . 1 1 26 26 ALA H H 26 8.480 8.480 7.856 0.624 25104 8322 1 10 . 1 1 27 27 ASP N N 27 114.191 114.191 117.055 -2.864 25104 8323 1 10 . 1 1 27 27 ASP HA H 27 4.197 4.197 4.492 -0.295 25104 8324 1 10 . 1 1 27 27 ASP C C 27 177.976 177.976 177.173 0.803 25104 8325 1 10 . 1 1 27 27 ASP CA C 27 55.410 55.410 55.683 -0.273 25104 8326 1 10 . 1 1 27 27 ASP CB C 27 38.821 38.821 40.499 -1.678 25104 8327 1 10 . 1 1 27 27 ASP H H 27 9.145 9.145 8.430 0.715 25104 8328 1 10 . 1 1 28 28 LYS N N 28 118.107 118.107 118.329 -0.222 25104 8329 1 10 . 1 1 28 28 LYS HA H 28 4.599 4.599 4.504 0.095 25104 8330 1 10 . 1 1 28 28 LYS C C 28 177.840 177.840 177.539 0.301 25104 8331 1 10 . 1 1 28 28 LYS CA C 28 56.262 56.262 57.313 -1.051 25104 8332 1 10 . 1 1 28 28 LYS CB C 28 36.006 36.006 35.269 0.737 25104 8333 1 10 . 1 1 28 28 LYS H H 28 7.569 7.569 7.689 -0.120 25104 8334 1 10 . 1 1 29 29 VAL N N 29 114.551 114.551 115.240 -0.689 25104 8335 1 10 . 1 1 29 29 VAL HA H 29 4.487 4.487 4.781 -0.294 25104 8336 1 10 . 1 1 29 29 VAL CA C 29 58.309 58.309 58.623 -0.314 25104 8337 1 10 . 1 1 29 29 VAL CB C 29 32.078 32.078 31.266 0.812 25104 8338 1 10 . 1 1 29 29 VAL H H 29 8.364 8.364 8.155 0.209 25104 8339 1 10 . 1 1 30 30 PRO HA H 30 4.450 4.450 4.326 0.124 25104 8340 1 10 . 1 1 30 30 PRO C C 30 181.892 181.892 178.603 3.289 25104 8341 1 10 . 1 1 30 30 PRO CA C 30 66.227 66.227 65.649 0.578 25104 8342 1 10 . 1 1 30 30 PRO CB C 30 31.547 31.547 31.648 -0.101 25104 8343 1 10 . 1 1 31 31 LYS N N 31 123.785 123.785 120.127 3.658 25104 8344 1 10 . 1 1 31 31 LYS HA H 31 4.105 4.105 4.123 -0.018 25104 8345 1 10 . 1 1 31 31 LYS C C 31 182.749 182.749 178.348 4.401 25104 8346 1 10 . 1 1 31 31 LYS CA C 31 61.057 61.057 59.864 1.192 25104 8347 1 10 . 1 1 31 31 LYS CB C 31 32.468 32.468 31.928 0.540 25104 8348 1 10 . 1 1 31 31 LYS H H 31 10.684 10.684 8.567 2.117 25104 8349 1 10 . 1 1 32 32 THR N N 32 124.002 124.002 113.784 10.218 25104 8350 1 10 . 1 1 32 32 THR HA H 32 4.034 4.034 4.311 -0.277 25104 8351 1 10 . 1 1 32 32 THR C C 32 178.673 178.673 176.099 2.574 25104 8352 1 10 . 1 1 32 32 THR CA C 32 67.526 67.526 66.284 1.242 25104 8353 1 10 . 1 1 32 32 THR CB C 32 68.705 68.705 68.763 -0.058 25104 8354 1 10 . 1 1 32 32 THR H H 32 10.320 10.320 8.307 2.013 25104 8355 1 10 . 1 1 33 33 ALA N N 33 125.616 125.616 123.810 1.806 25104 8356 1 10 . 1 1 33 33 ALA HA H 33 4.092 4.092 4.128 -0.036 25104 8357 1 10 . 1 1 33 33 ALA C C 33 179.174 179.174 178.834 0.340 25104 8358 1 10 . 1 1 33 33 ALA CA C 33 55.972 55.972 55.099 0.873 25104 8359 1 10 . 1 1 33 33 ALA CB C 33 18.414 18.414 18.173 0.241 25104 8360 1 10 . 1 1 33 33 ALA H H 33 9.311 9.311 8.159 1.152 25104 8361 1 10 . 1 1 34 34 GLU N N 34 117.376 117.376 119.078 -1.702 25104 8362 1 10 . 1 1 34 34 GLU HA H 34 4.556 4.556 3.924 0.632 25104 8363 1 10 . 1 1 34 34 GLU C C 34 178.418 178.418 178.533 -0.115 25104 8364 1 10 . 1 1 34 34 GLU CA C 34 58.238 58.238 59.442 -1.204 25104 8365 1 10 . 1 1 34 34 GLU CB C 34 28.181 28.181 29.626 -1.445 25104 8366 1 10 . 1 1 34 34 GLU H H 34 8.069 8.069 8.026 0.043 25104 8367 1 10 . 1 1 35 35 ASN N N 35 115.722 115.722 118.637 -2.915 25104 8368 1 10 . 1 1 35 35 ASN HA H 35 4.108 4.108 4.239 -0.131 25104 8369 1 10 . 1 1 35 35 ASN C C 35 175.568 175.568 177.168 -1.600 25104 8370 1 10 . 1 1 35 35 ASN CA C 35 56.768 56.768 55.992 0.776 25104 8371 1 10 . 1 1 35 35 ASN CB C 35 39.644 39.644 38.169 1.475 25104 8372 1 10 . 1 1 35 35 ASN H H 35 7.193 7.193 7.793 -0.600 25104 8373 1 10 . 1 1 36 36 PHE N N 36 117.929 117.929 120.562 -2.633 25104 8374 1 10 . 1 1 36 36 PHE HA H 36 4.158 4.158 4.114 0.044 25104 8375 1 10 . 1 1 36 36 PHE C C 36 179.707 179.707 177.386 2.321 25104 8376 1 10 . 1 1 36 36 PHE CA C 36 61.589 61.589 61.017 0.572 25104 8377 1 10 . 1 1 36 36 PHE CB C 36 39.948 39.948 38.906 1.042 25104 8378 1 10 . 1 1 36 36 PHE H H 36 7.065 7.065 7.324 -0.259 25104 8379 1 10 . 1 1 37 37 ARG N N 37 121.048 121.048 119.833 1.215 25104 8380 1 10 . 1 1 37 37 ARG HA H 37 3.685 3.685 3.814 -0.129 25104 8381 1 10 . 1 1 37 37 ARG C C 37 179.000 179.000 178.203 0.797 25104 8382 1 10 . 1 1 37 37 ARG CA C 37 60.515 60.515 59.656 0.859 25104 8383 1 10 . 1 1 37 37 ARG CB C 37 29.880 29.880 30.097 -0.217 25104 8384 1 10 . 1 1 37 37 ARG H H 37 8.975 8.975 8.044 0.931 25104 8385 1 10 . 1 1 38 38 ALA N N 38 119.232 119.232 121.731 -2.499 25104 8386 1 10 . 1 1 38 38 ALA HA H 38 4.126 4.126 4.251 -0.125 25104 8387 1 10 . 1 1 38 38 ALA C C 38 183.365 183.365 180.098 3.267 25104 8388 1 10 . 1 1 38 38 ALA CA C 38 54.477 54.477 54.559 -0.082 25104 8389 1 10 . 1 1 38 38 ALA CB C 38 18.405 18.405 18.453 -0.048 25104 8390 1 10 . 1 1 38 38 ALA H H 38 8.741 8.741 7.874 0.867 25104 8391 1 10 . 1 1 39 39 LEU N N 39 120.723 120.723 118.526 2.197 25104 8392 1 10 . 1 1 39 39 LEU HA H 39 3.800 3.800 4.011 -0.211 25104 8393 1 10 . 1 1 39 39 LEU C C 39 180.481 180.481 178.956 1.525 25104 8394 1 10 . 1 1 39 39 LEU CA C 39 57.268 57.268 57.832 -0.564 25104 8395 1 10 . 1 1 39 39 LEU CB C 39 41.218 41.218 41.644 -0.426 25104 8396 1 10 . 1 1 39 39 LEU H H 39 8.212 8.212 7.842 0.370 25104 8397 1 10 . 1 1 40 40 SER N N 40 119.210 119.210 114.345 4.865 25104 8398 1 10 . 1 1 40 40 SER HA H 40 4.341 4.341 4.373 -0.032 25104 8399 1 10 . 1 1 40 40 SER C C 40 175.380 175.380 176.429 -1.049 25104 8400 1 10 . 1 1 40 40 SER CA C 40 62.924 62.924 61.728 1.196 25104 8401 1 10 . 1 1 40 40 SER CB C 40 62.992 62.992 62.920 0.071 25104 8402 1 10 . 1 1 40 40 SER H H 40 7.938 7.938 7.963 -0.025 25104 8403 1 10 . 1 1 41 41 THR N N 41 108.556 108.556 111.544 -2.988 25104 8404 1 10 . 1 1 41 41 THR HA H 41 4.508 4.508 4.293 0.215 25104 8405 1 10 . 1 1 41 41 THR C C 41 179.088 179.088 176.273 2.815 25104 8406 1 10 . 1 1 41 41 THR CA C 41 62.492 62.492 63.260 -0.768 25104 8407 1 10 . 1 1 41 41 THR CB C 41 69.663 69.663 69.207 0.456 25104 8408 1 10 . 1 1 41 41 THR H H 41 8.017 8.017 7.925 0.092 25104 8409 1 10 . 1 1 42 42 GLY N N 42 108.433 108.433 110.272 -1.839 25104 8410 1 10 . 1 1 42 42 GLY C C 42 178.676 178.676 175.928 2.748 25104 8411 1 10 . 1 1 42 42 GLY CA C 42 45.840 45.840 45.409 0.431 25104 8412 1 10 . 1 1 42 42 GLY H H 42 7.621 7.621 7.846 -0.225 25104 8413 1 10 . 1 1 43 43 GLU N N 43 118.777 118.777 120.909 -2.132 25104 8414 1 10 . 1 1 43 43 GLU HA H 43 4.171 4.171 4.075 0.096 25104 8415 1 10 . 1 1 43 43 GLU C C 43 177.458 177.458 177.465 -0.007 25104 8416 1 10 . 1 1 43 43 GLU CA C 43 58.580 58.580 58.154 0.427 25104 8417 1 10 . 1 1 43 43 GLU H H 43 8.049 8.049 7.964 0.085 25104 8418 1 10 . 1 1 44 44 LYS N N 44 118.526 118.526 115.807 2.719 25104 8419 1 10 . 1 1 44 44 LYS HA H 44 4.342 4.342 4.306 0.036 25104 8420 1 10 . 1 1 44 44 LYS C C 44 177.590 177.590 176.570 1.020 25104 8421 1 10 . 1 1 44 44 LYS CA C 44 54.405 54.405 54.520 -0.115 25104 8422 1 10 . 1 1 44 44 LYS CB C 44 30.488 30.488 32.397 -1.909 25104 8423 1 10 . 1 1 44 44 LYS H H 44 9.123 9.123 7.323 1.800 25104 8424 1 10 . 1 1 45 45 GLY N N 45 105.553 105.553 107.967 -2.414 25104 8425 1 10 . 1 1 45 45 GLY C C 45 173.518 173.518 175.328 -1.810 25104 8426 1 10 . 1 1 45 45 GLY CA C 45 44.612 44.612 46.090 -1.478 25104 8427 1 10 . 1 1 45 45 GLY H H 45 7.970 7.970 7.652 0.318 25104 8428 1 10 . 1 1 46 46 PHE N N 46 113.753 113.753 121.730 -7.977 25104 8429 1 10 . 1 1 46 46 PHE HA H 46 4.678 4.678 4.072 0.606 25104 8430 1 10 . 1 1 46 46 PHE C C 46 173.684 173.684 176.892 -3.208 25104 8431 1 10 . 1 1 46 46 PHE CA C 46 54.077 54.077 57.423 -3.346 25104 8432 1 10 . 1 1 46 46 PHE CB C 46 39.658 39.658 38.323 1.335 25104 8433 1 10 . 1 1 46 46 PHE H H 46 6.469 6.469 7.074 -0.605 25104 8434 1 10 . 1 1 47 47 GLY N N 47 104.722 104.722 105.860 -1.138 25104 8435 1 10 . 1 1 47 47 GLY C C 47 172.446 172.446 174.908 -2.462 25104 8436 1 10 . 1 1 47 47 GLY CA C 47 45.601 45.601 45.417 0.184 25104 8437 1 10 . 1 1 47 47 GLY H H 47 7.756 7.756 8.080 -0.324 25104 8438 1 10 . 1 1 48 48 TYR N N 48 113.796 113.796 119.953 -6.157 25104 8439 1 10 . 1 1 48 48 TYR HA H 48 4.270 4.270 4.172 0.098 25104 8440 1 10 . 1 1 48 48 TYR C C 48 178.924 178.924 176.017 2.907 25104 8441 1 10 . 1 1 48 48 TYR CA C 48 57.365 57.365 58.979 -1.614 25104 8442 1 10 . 1 1 48 48 TYR CB C 48 38.832 38.832 37.087 1.745 25104 8443 1 10 . 1 1 48 48 TYR H H 48 6.948 6.948 8.079 -1.131 25104 8444 1 10 . 1 1 49 49 LYS N N 49 124.858 124.858 125.873 -1.015 25104 8445 1 10 . 1 1 49 49 LYS HA H 49 3.655 3.655 4.443 -0.788 25104 8446 1 10 . 1 1 49 49 LYS C C 49 178.388 178.388 176.957 1.431 25104 8447 1 10 . 1 1 49 49 LYS CA C 49 61.018 61.018 55.442 5.576 25104 8448 1 10 . 1 1 49 49 LYS CB C 49 31.484 31.484 33.222 -1.738 25104 8449 1 10 . 1 1 49 49 LYS H H 49 8.493 8.493 8.133 0.360 25104 8450 1 10 . 1 1 50 50 GLY N N 50 117.833 117.833 115.315 2.518 25104 8451 1 10 . 1 1 50 50 GLY C C 50 175.259 175.259 174.205 1.054 25104 8452 1 10 . 1 1 50 50 GLY CA C 50 45.495 45.495 45.157 0.338 25104 8453 1 10 . 1 1 50 50 GLY H H 50 9.509 9.509 8.465 1.044 25104 8454 1 10 . 1 1 51 51 SER N N 51 116.413 116.413 116.760 -0.347 25104 8455 1 10 . 1 1 51 51 SER HA H 51 4.516 4.516 4.427 0.089 25104 8456 1 10 . 1 1 51 51 SER C C 51 172.808 172.808 175.429 -2.621 25104 8457 1 10 . 1 1 51 51 SER CA C 51 59.043 59.043 58.237 0.806 25104 8458 1 10 . 1 1 51 51 SER CB C 51 63.781 63.781 63.455 0.326 25104 8459 1 10 . 1 1 51 51 SER H H 51 8.436 8.436 8.002 0.434 25104 8460 1 10 . 1 1 52 52 CYS N N 52 115.156 115.156 126.066 -10.910 25104 8461 1 10 . 1 1 52 52 CYS HA H 52 5.932 5.932 5.233 0.699 25104 8462 1 10 . 1 1 52 52 CYS C C 52 177.437 177.437 174.900 2.537 25104 8463 1 10 . 1 1 52 52 CYS CA C 52 55.998 55.998 56.352 -0.354 25104 8464 1 10 . 1 1 52 52 CYS CB C 52 31.953 31.953 28.397 3.556 25104 8465 1 10 . 1 1 52 52 CYS H H 52 9.875 9.875 8.429 1.446 25104 8466 1 10 . 1 1 53 53 PHE N N 53 123.068 123.068 125.243 -2.175 25104 8467 1 10 . 1 1 53 53 PHE HA H 53 4.899 4.899 4.320 0.579 25104 8468 1 10 . 1 1 53 53 PHE C C 53 175.886 175.886 175.773 0.113 25104 8469 1 10 . 1 1 53 53 PHE CA C 53 58.389 58.389 59.189 -0.800 25104 8470 1 10 . 1 1 53 53 PHE CB C 53 39.535 39.535 37.772 1.764 25104 8471 1 10 . 1 1 53 53 PHE H H 53 8.732 8.732 9.129 -0.397 25104 8472 1 10 . 1 1 54 54 HIS N N 54 120.227 120.227 118.428 1.799 25104 8473 1 10 . 1 1 54 54 HIS HA H 54 4.763 4.763 4.986 -0.223 25104 8474 1 10 . 1 1 54 54 HIS C C 54 176.409 176.409 174.479 1.930 25104 8475 1 10 . 1 1 54 54 HIS CA C 54 57.323 57.323 54.668 2.655 25104 8476 1 10 . 1 1 54 54 HIS CB C 54 31.542 31.542 31.422 0.120 25104 8477 1 10 . 1 1 54 54 HIS H H 54 7.696 7.696 7.779 -0.083 25104 8478 1 10 . 1 1 55 55 ARG N N 55 123.202 123.202 121.180 2.022 25104 8479 1 10 . 1 1 55 55 ARG HA H 55 5.118 5.118 5.228 -0.110 25104 8480 1 10 . 1 1 55 55 ARG C C 55 174.511 174.511 173.389 1.122 25104 8481 1 10 . 1 1 55 55 ARG CA C 55 54.913 54.913 55.824 -0.911 25104 8482 1 10 . 1 1 55 55 ARG CB C 55 33.805 33.805 32.429 1.376 25104 8483 1 10 . 1 1 55 55 ARG H H 55 7.089 7.089 7.332 -0.243 25104 8484 1 10 . 1 1 56 56 ILE N N 56 126.621 126.621 125.849 0.772 25104 8485 1 10 . 1 1 56 56 ILE HA H 56 4.659 4.659 4.757 -0.098 25104 8486 1 10 . 1 1 56 56 ILE C C 56 174.633 174.633 174.055 0.578 25104 8487 1 10 . 1 1 56 56 ILE CA C 56 61.585 61.585 60.382 1.203 25104 8488 1 10 . 1 1 56 56 ILE CB C 56 41.452 41.452 42.499 -1.047 25104 8489 1 10 . 1 1 56 56 ILE H H 56 9.201 9.201 8.244 0.957 25104 8490 1 10 . 1 1 57 57 ILE N N 57 127.965 127.965 125.531 2.434 25104 8491 1 10 . 1 1 57 57 ILE HA H 57 5.248 5.248 5.219 0.029 25104 8492 1 10 . 1 1 57 57 ILE CA C 57 57.685 57.685 57.577 0.108 25104 8493 1 10 . 1 1 57 57 ILE CB C 57 40.236 40.236 41.016 -0.780 25104 8494 1 10 . 1 1 57 57 ILE H H 57 8.753 8.753 8.752 0.001 25104 8495 1 10 . 1 1 58 58 PRO HA H 58 4.382 4.382 4.296 0.086 25104 8496 1 10 . 1 1 58 58 PRO C C 58 178.669 178.669 177.826 0.843 25104 8497 1 10 . 1 1 58 58 PRO CA C 58 63.086 63.086 63.417 -0.331 25104 8498 1 10 . 1 1 58 58 PRO CB C 58 31.996 31.996 31.822 0.174 25104 8499 1 10 . 1 1 59 59 GLY N N 59 114.176 114.176 111.133 3.043 25104 8500 1 10 . 1 1 59 59 GLY C C 59 173.281 173.281 173.654 -0.373 25104 8501 1 10 . 1 1 59 59 GLY CA C 59 45.259 45.259 46.081 -0.822 25104 8502 1 10 . 1 1 59 59 GLY H H 59 9.752 9.752 8.689 1.063 25104 8503 1 10 . 1 1 60 60 PHE N N 60 119.241 119.241 118.179 1.062 25104 8504 1 10 . 1 1 60 60 PHE HA H 60 5.153 5.153 5.081 0.072 25104 8505 1 10 . 1 1 60 60 PHE C C 60 174.401 174.401 173.320 1.081 25104 8506 1 10 . 1 1 60 60 PHE CA C 60 56.867 56.867 58.162 -1.295 25104 8507 1 10 . 1 1 60 60 PHE CB C 60 39.954 39.954 40.898 -0.944 25104 8508 1 10 . 1 1 60 60 PHE H H 60 8.196 8.196 8.126 0.070 25104 8509 1 10 . 1 1 61 61 MET N N 61 111.262 111.262 118.405 -7.143 25104 8510 1 10 . 1 1 61 61 MET HA H 61 5.369 5.369 5.034 0.335 25104 8511 1 10 . 1 1 61 61 MET C C 61 175.163 175.163 173.132 2.031 25104 8512 1 10 . 1 1 61 61 MET CA C 61 55.062 55.062 54.752 0.310 25104 8513 1 10 . 1 1 61 61 MET CB C 61 35.010 35.010 36.244 -1.234 25104 8514 1 10 . 1 1 61 61 MET H H 61 8.128 8.128 8.160 -0.032 25104 8515 1 10 . 1 1 62 62 CYS N N 62 114.848 114.848 123.088 -8.240 25104 8516 1 10 . 1 1 62 62 CYS HA H 62 4.941 4.941 4.933 0.008 25104 8517 1 10 . 1 1 62 62 CYS C C 62 174.075 174.075 173.412 0.663 25104 8518 1 10 . 1 1 62 62 CYS CA C 62 57.485 57.485 56.467 1.018 25104 8519 1 10 . 1 1 62 62 CYS CB C 62 30.392 30.392 28.525 1.867 25104 8520 1 10 . 1 1 62 62 CYS H H 62 8.501 8.501 8.797 -0.296 25104 8521 1 10 . 1 1 63 63 GLN N N 63 126.854 126.854 126.856 -0.002 25104 8522 1 10 . 1 1 63 63 GLN HA H 63 5.410 5.410 4.835 0.575 25104 8523 1 10 . 1 1 63 63 GLN C C 63 175.024 175.024 174.304 0.720 25104 8524 1 10 . 1 1 63 63 GLN CA C 63 54.691 54.691 54.326 0.365 25104 8525 1 10 . 1 1 63 63 GLN CB C 63 30.529 30.529 32.058 -1.529 25104 8526 1 10 . 1 1 63 63 GLN H H 63 9.671 9.671 8.416 1.255 25104 8527 1 10 . 1 1 64 64 GLY N N 64 110.745 110.745 111.007 -0.262 25104 8528 1 10 . 1 1 64 64 GLY C C 64 174.113 174.113 171.633 2.480 25104 8529 1 10 . 1 1 64 64 GLY CA C 64 44.788 44.788 42.272 2.516 25104 8530 1 10 . 1 1 64 64 GLY H H 64 7.401 7.401 7.741 -0.340 25104 8531 1 10 . 1 1 65 65 GLY N N 65 105.815 105.815 105.717 0.098 25104 8532 1 10 . 1 1 65 65 GLY C C 65 176.175 176.175 172.171 4.004 25104 8533 1 10 . 1 1 65 65 GLY CA C 65 46.659 46.659 45.582 1.077 25104 8534 1 10 . 1 1 65 65 GLY H H 65 9.265 9.265 7.354 1.911 25104 8535 1 10 . 1 1 66 66 ASP N N 66 123.911 123.911 117.745 6.166 25104 8536 1 10 . 1 1 66 66 ASP HA H 66 4.337 4.337 5.138 -0.801 25104 8537 1 10 . 1 1 66 66 ASP C C 66 177.105 177.105 176.080 1.025 25104 8538 1 10 . 1 1 66 66 ASP CA C 66 51.592 51.592 51.499 0.093 25104 8539 1 10 . 1 1 66 66 ASP CB C 66 38.926 38.926 44.154 -5.228 25104 8540 1 10 . 1 1 66 66 ASP H H 66 9.950 9.950 8.077 1.873 25104 8541 1 10 . 1 1 67 67 PHE N N 67 116.285 116.285 120.068 -3.783 25104 8542 1 10 . 1 1 67 67 PHE HA H 67 4.655 4.655 4.377 0.278 25104 8543 1 10 . 1 1 67 67 PHE C C 67 175.240 175.240 176.096 -0.856 25104 8544 1 10 . 1 1 67 67 PHE CA C 67 55.683 55.683 60.030 -4.347 25104 8545 1 10 . 1 1 67 67 PHE CB C 67 39.480 39.480 40.047 -0.567 25104 8546 1 10 . 1 1 67 67 PHE H H 67 6.660 6.660 8.722 -2.062 25104 8547 1 10 . 1 1 68 68 THR N N 68 109.280 109.280 118.689 -9.409 25104 8548 1 10 . 1 1 68 68 THR HA H 68 4.692 4.692 4.211 0.481 25104 8549 1 10 . 1 1 68 68 THR C C 68 176.514 176.514 174.280 2.234 25104 8550 1 10 . 1 1 68 68 THR CA C 68 61.962 61.962 64.705 -2.743 25104 8551 1 10 . 1 1 68 68 THR CB C 68 68.922 68.922 68.405 0.517 25104 8552 1 10 . 1 1 68 68 THR H H 68 7.400 7.400 8.085 -0.685 25104 8553 1 10 . 1 1 69 69 ARG N N 69 122.125 122.125 123.609 -1.484 25104 8554 1 10 . 1 1 69 69 ARG HA H 69 4.421 4.421 3.723 0.698 25104 8555 1 10 . 1 1 69 69 ARG CA C 69 55.265 55.265 57.541 -2.276 25104 8556 1 10 . 1 1 69 69 ARG CB C 69 31.727 31.727 27.559 4.168 25104 8557 1 10 . 1 1 69 69 ARG H H 69 8.719 8.719 9.006 -0.287 25104 8558 1 10 . 1 1 70 70 HIS N N 70 111.574 111.574 116.467 -4.893 25104 8559 1 10 . 1 1 70 70 HIS HA H 70 4.451 4.451 4.275 0.176 25104 8560 1 10 . 1 1 70 70 HIS C C 70 175.306 175.306 175.503 -0.197 25104 8561 1 10 . 1 1 70 70 HIS CA C 70 57.193 57.193 57.780 -0.587 25104 8562 1 10 . 1 1 70 70 HIS CB C 70 28.587 28.587 29.076 -0.489 25104 8563 1 10 . 1 1 70 70 HIS H H 70 6.865 6.865 7.619 -0.754 25104 8564 1 10 . 1 1 71 71 ASN N N 71 112.710 112.710 118.753 -6.043 25104 8565 1 10 . 1 1 71 71 ASN HA H 71 4.673 4.673 4.318 0.355 25104 8566 1 10 . 1 1 71 71 ASN C C 71 176.752 176.752 175.879 0.873 25104 8567 1 10 . 1 1 71 71 ASN CA C 71 52.366 52.366 53.499 -1.133 25104 8568 1 10 . 1 1 71 71 ASN CB C 71 39.036 39.036 37.365 1.671 25104 8569 1 10 . 1 1 71 71 ASN H H 71 7.594 7.594 7.427 0.167 25104 8570 1 10 . 1 1 72 72 GLY N N 72 110.452 110.452 114.700 -4.248 25104 8571 1 10 . 1 1 72 72 GLY C C 72 176.669 176.669 174.384 2.285 25104 8572 1 10 . 1 1 72 72 GLY CA C 72 44.887 44.887 46.079 -1.192 25104 8573 1 10 . 1 1 72 72 GLY H H 72 9.642 9.642 8.312 1.330 25104 8574 1 10 . 1 1 73 73 THR N N 73 112.024 112.024 115.526 -3.502 25104 8575 1 10 . 1 1 73 73 THR HA H 73 4.541 4.541 4.439 0.102 25104 8576 1 10 . 1 1 73 73 THR C C 73 176.905 176.905 173.831 3.074 25104 8577 1 10 . 1 1 73 73 THR CA C 73 62.235 62.235 62.182 0.053 25104 8578 1 10 . 1 1 73 73 THR CB C 73 70.677 70.677 71.088 -0.411 25104 8579 1 10 . 1 1 73 73 THR H H 73 7.967 7.967 7.445 0.522 25104 8580 1 10 . 1 1 74 74 GLY N N 74 113.872 113.872 111.895 1.977 25104 8581 1 10 . 1 1 74 74 GLY C C 74 176.149 176.149 174.443 1.706 25104 8582 1 10 . 1 1 74 74 GLY CA C 74 45.126 45.126 45.788 -0.662 25104 8583 1 10 . 1 1 74 74 GLY H H 74 8.711 8.711 8.073 0.638 25104 8584 1 10 . 1 1 75 75 GLY N N 75 109.032 109.032 105.755 3.277 25104 8585 1 10 . 1 1 75 75 GLY C C 75 173.012 173.012 173.906 -0.894 25104 8586 1 10 . 1 1 75 75 GLY CA C 75 43.371 43.371 44.296 -0.925 25104 8587 1 10 . 1 1 75 75 GLY H H 75 8.117 8.117 7.886 0.231 25104 8588 1 10 . 1 1 76 76 LYS N N 76 115.705 115.705 120.486 -4.781 25104 8589 1 10 . 1 1 76 76 LYS HA H 76 4.623 4.623 4.966 -0.343 25104 8590 1 10 . 1 1 76 76 LYS C C 76 173.512 173.512 176.024 -2.512 25104 8591 1 10 . 1 1 76 76 LYS CA C 76 55.975 55.975 56.379 -0.404 25104 8592 1 10 . 1 1 76 76 LYS CB C 76 34.648 34.648 33.201 1.447 25104 8593 1 10 . 1 1 76 76 LYS H H 76 7.034 7.034 7.890 -0.856 25104 8594 1 10 . 1 1 77 77 SER N N 77 114.354 114.354 115.106 -0.752 25104 8595 1 10 . 1 1 77 77 SER HA H 77 5.240 5.240 4.623 0.617 25104 8596 1 10 . 1 1 77 77 SER C C 77 176.746 176.746 176.269 0.477 25104 8597 1 10 . 1 1 77 77 SER CA C 77 57.077 57.077 56.958 0.119 25104 8598 1 10 . 1 1 77 77 SER CB C 77 69.863 69.863 66.150 3.713 25104 8599 1 10 . 1 1 77 77 SER H H 77 7.793 7.793 8.104 -0.311 25104 8600 1 10 . 1 1 78 78 ILE N N 78 111.394 111.394 115.641 -4.247 25104 8601 1 10 . 1 1 78 78 ILE HA H 78 4.208 4.208 4.109 0.099 25104 8602 1 10 . 1 1 78 78 ILE C C 78 176.973 176.973 175.916 1.057 25104 8603 1 10 . 1 1 78 78 ILE CA C 78 63.675 63.675 63.516 0.159 25104 8604 1 10 . 1 1 78 78 ILE CB C 78 37.434 37.434 37.404 0.030 25104 8605 1 10 . 1 1 78 78 ILE H H 78 8.584 8.584 8.470 0.114 25104 8606 1 10 . 1 1 79 79 TYR N N 79 120.757 120.757 116.915 3.842 25104 8607 1 10 . 1 1 79 79 TYR HA H 79 4.718 4.718 4.332 0.386 25104 8608 1 10 . 1 1 79 79 TYR C C 79 176.316 176.316 176.131 0.185 25104 8609 1 10 . 1 1 79 79 TYR CA C 79 56.216 56.216 58.720 -2.504 25104 8610 1 10 . 1 1 79 79 TYR CB C 79 38.891 38.891 38.656 0.235 25104 8611 1 10 . 1 1 79 79 TYR H H 79 8.058 8.058 7.816 0.242 25104 8612 1 10 . 1 1 80 80 GLY N N 80 106.521 106.521 106.228 0.293 25104 8613 1 10 . 1 1 80 80 GLY CA C 80 46.021 46.021 44.793 1.228 25104 8614 1 10 . 1 1 80 80 GLY H H 80 7.152 7.152 7.357 -0.205 25104 8615 1 10 . 1 1 81 81 GLU N N 81 122.638 122.638 123.392 -0.754 25104 8616 1 10 . 1 1 81 81 GLU HA H 81 4.008 4.008 3.980 0.028 25104 8617 1 10 . 1 1 81 81 GLU C C 81 176.729 176.729 175.528 1.201 25104 8618 1 10 . 1 1 81 81 GLU CA C 81 60.602 60.602 59.368 1.234 25104 8619 1 10 . 1 1 81 81 GLU CB C 81 29.927 29.927 30.057 -0.130 25104 8620 1 10 . 1 1 81 81 GLU H H 81 8.884 8.884 8.639 0.245 25104 8621 1 10 . 1 1 82 82 LYS N N 82 112.369 112.369 112.797 -0.428 25104 8622 1 10 . 1 1 82 82 LYS HA H 82 5.577 5.577 4.575 1.002 25104 8623 1 10 . 1 1 82 82 LYS C C 82 176.495 176.495 174.907 1.588 25104 8624 1 10 . 1 1 82 82 LYS CA C 82 53.906 53.906 55.652 -1.746 25104 8625 1 10 . 1 1 82 82 LYS CB C 82 36.614 36.614 35.467 1.147 25104 8626 1 10 . 1 1 82 82 LYS H H 82 7.845 7.845 7.556 0.289 25104 8627 1 10 . 1 1 83 83 PHE N N 83 116.638 116.638 114.568 2.070 25104 8628 1 10 . 1 1 83 83 PHE HA H 83 5.000 5.000 4.944 0.056 25104 8629 1 10 . 1 1 83 83 PHE C C 83 174.501 174.501 172.619 1.882 25104 8630 1 10 . 1 1 83 83 PHE CA C 83 56.032 56.032 56.466 -0.434 25104 8631 1 10 . 1 1 83 83 PHE CB C 83 41.258 41.258 41.265 -0.007 25104 8632 1 10 . 1 1 83 83 PHE H H 83 9.184 9.184 9.079 0.105 25104 8633 1 10 . 1 1 84 84 GLU N N 84 119.642 119.642 118.468 1.174 25104 8634 1 10 . 1 1 84 84 GLU HA H 84 3.862 3.862 4.221 -0.359 25104 8635 1 10 . 1 1 84 84 GLU C C 84 177.248 177.248 174.930 2.318 25104 8636 1 10 . 1 1 84 84 GLU CA C 84 56.452 56.452 54.567 1.885 25104 8637 1 10 . 1 1 84 84 GLU CB C 84 29.329 29.329 31.015 -1.686 25104 8638 1 10 . 1 1 84 84 GLU H H 84 9.294 9.294 8.201 1.093 25104 8639 1 10 . 1 1 85 85 ASP N N 85 118.870 118.870 119.554 -0.684 25104 8640 1 10 . 1 1 85 85 ASP HA H 85 4.285 4.285 4.504 -0.219 25104 8641 1 10 . 1 1 85 85 ASP C C 85 177.100 177.100 175.903 1.197 25104 8642 1 10 . 1 1 85 85 ASP CA C 85 54.486 54.486 53.895 0.591 25104 8643 1 10 . 1 1 85 85 ASP CB C 85 40.954 40.954 41.258 -0.304 25104 8644 1 10 . 1 1 85 85 ASP H H 85 8.609 8.609 8.372 0.237 25104 8645 1 10 . 1 1 86 86 GLU N N 86 131.636 131.636 123.192 8.444 25104 8646 1 10 . 1 1 86 86 GLU HA H 86 3.851 3.851 4.201 -0.350 25104 8647 1 10 . 1 1 86 86 GLU C C 86 177.266 177.266 175.471 1.795 25104 8648 1 10 . 1 1 86 86 GLU CA C 86 60.354 60.354 57.469 2.885 25104 8649 1 10 . 1 1 86 86 GLU CB C 86 31.877 31.877 30.615 1.262 25104 8650 1 10 . 1 1 86 86 GLU H H 86 9.474 9.474 8.977 0.497 25104 8651 1 10 . 1 1 87 87 ASN N N 87 106.916 106.916 115.739 -8.823 25104 8652 1 10 . 1 1 87 87 ASN HA H 87 4.187 4.187 4.743 -0.556 25104 8653 1 10 . 1 1 87 87 ASN C C 87 171.751 171.751 174.130 -2.379 25104 8654 1 10 . 1 1 87 87 ASN CA C 87 52.828 52.828 52.084 0.744 25104 8655 1 10 . 1 1 87 87 ASN CB C 87 39.490 39.490 39.255 0.235 25104 8656 1 10 . 1 1 87 87 ASN H H 87 7.084 7.084 7.808 -0.724 25104 8657 1 10 . 1 1 88 88 PHE N N 88 113.116 113.116 122.401 -9.285 25104 8658 1 10 . 1 1 88 88 PHE HA H 88 5.964 5.964 4.801 1.163 25104 8659 1 10 . 1 1 88 88 PHE C C 88 178.688 178.688 175.657 3.031 25104 8660 1 10 . 1 1 88 88 PHE CA C 88 55.847 55.847 57.798 -1.951 25104 8661 1 10 . 1 1 88 88 PHE CB C 88 38.876 38.876 37.553 1.323 25104 8662 1 10 . 1 1 88 88 PHE H H 88 8.356 8.356 9.046 -0.690 25104 8663 1 10 . 1 1 89 89 ILE N N 89 119.794 119.794 120.584 -0.790 25104 8664 1 10 . 1 1 89 89 ILE HA H 89 3.726 3.726 4.051 -0.325 25104 8665 1 10 . 1 1 89 89 ILE C C 89 178.596 178.596 175.822 2.774 25104 8666 1 10 . 1 1 89 89 ILE CA C 89 64.996 64.996 63.150 1.846 25104 8667 1 10 . 1 1 89 89 ILE CB C 89 39.000 39.000 38.589 0.411 25104 8668 1 10 . 1 1 89 89 ILE H H 89 8.314 8.314 7.748 0.566 25104 8669 1 10 . 1 1 90 90 LEU N N 90 117.361 117.361 121.060 -3.699 25104 8670 1 10 . 1 1 90 90 LEU HA H 90 4.516 4.516 4.287 0.229 25104 8671 1 10 . 1 1 90 90 LEU C C 90 177.345 177.345 175.901 1.444 25104 8672 1 10 . 1 1 90 90 LEU CA C 90 54.196 54.196 53.910 0.286 25104 8673 1 10 . 1 1 90 90 LEU CB C 90 42.100 42.100 41.095 1.005 25104 8674 1 10 . 1 1 90 90 LEU H H 90 7.777 7.777 8.113 -0.336 25104 8675 1 10 . 1 1 91 91 LYS N N 91 119.096 119.096 123.963 -4.867 25104 8676 1 10 . 1 1 91 91 LYS HA H 91 4.635 4.635 4.545 0.090 25104 8677 1 10 . 1 1 91 91 LYS C C 91 177.296 177.296 176.557 0.739 25104 8678 1 10 . 1 1 91 91 LYS CA C 91 54.689 54.689 55.594 -0.905 25104 8679 1 10 . 1 1 91 91 LYS CB C 91 34.841 34.841 33.863 0.978 25104 8680 1 10 . 1 1 91 91 LYS H H 91 8.086 8.086 8.531 -0.445 25104 8681 1 10 . 1 1 92 92 HIS N N 92 122.578 122.578 120.443 2.135 25104 8682 1 10 . 1 1 92 92 HIS HA H 92 4.408 4.408 4.632 -0.224 25104 8683 1 10 . 1 1 92 92 HIS C C 92 178.794 178.794 174.644 4.150 25104 8684 1 10 . 1 1 92 92 HIS CA C 92 56.886 56.886 55.862 1.024 25104 8685 1 10 . 1 1 92 92 HIS CB C 92 26.041 26.041 28.031 -1.990 25104 8686 1 10 . 1 1 92 92 HIS H H 92 10.736 10.736 8.947 1.789 25104 8687 1 10 . 1 1 93 93 THR N N 93 110.479 110.479 114.389 -3.910 25104 8688 1 10 . 1 1 93 93 THR HA H 93 4.056 4.056 4.359 -0.302 25104 8689 1 10 . 1 1 93 93 THR C C 93 176.456 176.456 174.339 2.117 25104 8690 1 10 . 1 1 93 93 THR CA C 93 63.324 63.324 62.164 1.160 25104 8691 1 10 . 1 1 93 93 THR CB C 93 69.416 69.416 68.802 0.614 25104 8692 1 10 . 1 1 93 93 THR H H 93 7.315 7.315 7.746 -0.431 25104 8693 1 10 . 1 1 94 94 GLY N N 94 107.272 107.272 110.234 -2.962 25104 8694 1 10 . 1 1 94 94 GLY C C 94 178.117 178.117 171.692 6.425 25104 8695 1 10 . 1 1 94 94 GLY H H 94 7.530 7.530 7.676 -0.146 25104 8696 1 10 . 1 1 95 95 PRO HA H 95 3.856 3.856 4.465 -0.609 25104 8697 1 10 . 1 1 95 95 PRO CA C 95 62.687 62.687 62.514 0.173 25104 8698 1 10 . 1 1 95 95 PRO CB C 95 32.137 32.137 32.888 -0.751 25104 8699 1 10 . 1 1 96 96 GLY N N 96 110.210 110.210 109.936 0.274 25104 8700 1 10 . 1 1 96 96 GLY C C 96 174.025 174.025 175.125 -1.100 25104 8701 1 10 . 1 1 96 96 GLY CA C 96 45.068 45.068 45.372 -0.304 25104 8702 1 10 . 1 1 96 96 GLY H H 96 9.305 9.305 8.262 1.043 25104 8703 1 10 . 1 1 97 97 ILE N N 97 121.517 121.517 122.318 -0.801 25104 8704 1 10 . 1 1 97 97 ILE HA H 97 4.173 4.173 3.904 0.269 25104 8705 1 10 . 1 1 97 97 ILE C C 97 174.196 174.196 174.909 -0.713 25104 8706 1 10 . 1 1 97 97 ILE CA C 97 59.398 59.398 60.845 -1.447 25104 8707 1 10 . 1 1 97 97 ILE CB C 97 37.922 37.922 35.393 2.529 25104 8708 1 10 . 1 1 97 97 ILE H H 97 6.826 6.826 8.072 -1.246 25104 8709 1 10 . 1 1 98 98 LEU N N 98 128.948 128.948 130.992 -2.044 25104 8710 1 10 . 1 1 98 98 LEU HA H 98 5.010 5.010 4.771 0.239 25104 8711 1 10 . 1 1 98 98 LEU C C 98 175.316 175.316 174.314 1.002 25104 8712 1 10 . 1 1 98 98 LEU CA C 98 53.350 53.350 53.488 -0.138 25104 8713 1 10 . 1 1 98 98 LEU CB C 98 43.813 43.813 43.033 0.780 25104 8714 1 10 . 1 1 98 98 LEU H H 98 7.907 7.907 8.215 -0.308 25104 8715 1 10 . 1 1 99 99 SER N N 99 118.834 118.834 119.559 -0.725 25104 8716 1 10 . 1 1 99 99 SER HA H 99 5.346 5.346 4.094 1.252 25104 8717 1 10 . 1 1 99 99 SER C C 99 175.732 175.732 172.535 3.197 25104 8718 1 10 . 1 1 99 99 SER CA C 99 55.011 55.011 56.708 -1.696 25104 8719 1 10 . 1 1 99 99 SER CB C 99 65.370 65.370 64.730 0.640 25104 8720 1 10 . 1 1 99 99 SER H H 99 8.307 8.307 8.214 0.093 25104 8721 1 10 . 1 1 100 100 MET N N 100 123.079 123.079 124.494 -1.415 25104 8722 1 10 . 1 1 100 100 MET HA H 100 5.338 5.338 4.781 0.557 25104 8723 1 10 . 1 1 100 100 MET C C 100 178.920 178.920 176.161 2.759 25104 8724 1 10 . 1 1 100 100 MET CA C 100 53.853 53.853 56.410 -2.557 25104 8725 1 10 . 1 1 100 100 MET H H 100 8.563 8.563 9.491 -0.928 25104 8726 1 10 . 1 1 101 101 ALA N N 101 126.225 126.225 125.145 1.080 25104 8727 1 10 . 1 1 101 101 ALA HA H 101 4.362 4.362 4.803 -0.441 25104 8728 1 10 . 1 1 101 101 ALA C C 101 176.471 176.471 175.740 0.731 25104 8729 1 10 . 1 1 101 101 ALA CA C 101 51.743 51.743 52.762 -1.019 25104 8730 1 10 . 1 1 101 101 ALA CB C 101 19.619 19.619 20.346 -0.727 25104 8731 1 10 . 1 1 101 101 ALA H H 101 8.114 8.114 8.259 -0.145 25104 8732 1 10 . 1 1 102 102 ASN N N 102 113.398 113.398 117.554 -4.156 25104 8733 1 10 . 1 1 102 102 ASN HA H 102 4.647 4.647 4.779 -0.132 25104 8734 1 10 . 1 1 102 102 ASN C C 102 174.740 174.740 174.002 0.738 25104 8735 1 10 . 1 1 102 102 ASN CA C 102 54.102 54.102 52.658 1.444 25104 8736 1 10 . 1 1 102 102 ASN CB C 102 40.597 40.597 39.603 0.994 25104 8737 1 10 . 1 1 102 102 ASN H H 102 8.062 8.062 8.047 0.015 25104 8738 1 10 . 1 1 103 103 ALA N N 103 123.487 123.487 121.700 1.787 25104 8739 1 10 . 1 1 103 103 ALA HA H 103 4.868 4.868 4.484 0.384 25104 8740 1 10 . 1 1 103 103 ALA C C 103 177.823 177.823 177.112 0.711 25104 8741 1 10 . 1 1 103 103 ALA CA C 103 50.380 50.380 53.594 -3.214 25104 8742 1 10 . 1 1 103 103 ALA CB C 103 19.295 19.295 20.032 -0.737 25104 8743 1 10 . 1 1 103 103 ALA H H 103 8.822 8.822 8.743 0.079 25104 8744 1 10 . 1 1 104 104 GLY N N 104 109.271 109.271 103.753 5.518 25104 8745 1 10 . 1 1 104 104 GLY CA C 104 43.559 43.559 44.312 -0.753 25104 8746 1 10 . 1 1 104 104 GLY H H 104 8.181 8.181 7.763 0.418 25104 8747 1 10 . 1 1 105 105 PRO HA H 105 4.385 4.385 4.396 -0.011 25104 8748 1 10 . 1 1 105 105 PRO C C 105 177.209 177.209 176.685 0.524 25104 8749 1 10 . 1 1 105 105 PRO CA C 105 63.976 63.976 63.105 0.871 25104 8750 1 10 . 1 1 105 105 PRO CB C 105 32.136 32.136 32.120 0.016 25104 8751 1 10 . 1 1 106 106 ASN N N 106 119.146 119.146 117.939 1.207 25104 8752 1 10 . 1 1 106 106 ASN HA H 106 4.052 4.052 4.422 -0.370 25104 8753 1 10 . 1 1 106 106 ASN C C 106 175.857 175.857 175.436 0.421 25104 8754 1 10 . 1 1 106 106 ASN CA C 106 54.279 54.279 54.956 -0.677 25104 8755 1 10 . 1 1 106 106 ASN CB C 106 37.248 37.248 37.888 -0.640 25104 8756 1 10 . 1 1 106 106 ASN H H 106 8.912 8.912 8.758 0.154 25104 8757 1 10 . 1 1 107 107 THR N N 107 110.101 110.101 112.702 -2.601 25104 8758 1 10 . 1 1 107 107 THR HA H 107 4.493 4.493 4.191 0.302 25104 8759 1 10 . 1 1 107 107 THR C C 107 174.713 174.713 174.569 0.144 25104 8760 1 10 . 1 1 107 107 THR CA C 107 60.294 60.294 63.408 -3.114 25104 8761 1 10 . 1 1 107 107 THR CB C 107 69.030 69.030 69.162 -0.132 25104 8762 1 10 . 1 1 107 107 THR H H 107 10.191 10.191 7.562 2.629 25104 8763 1 10 . 1 1 108 108 ASN N N 108 120.592 120.592 120.363 0.229 25104 8764 1 10 . 1 1 108 108 ASN HA H 108 4.210 4.210 4.311 -0.101 25104 8765 1 10 . 1 1 108 108 ASN C C 108 175.078 175.078 175.481 -0.403 25104 8766 1 10 . 1 1 108 108 ASN CA C 108 55.287 55.287 54.069 1.218 25104 8767 1 10 . 1 1 108 108 ASN CB C 108 39.036 39.036 38.343 0.693 25104 8768 1 10 . 1 1 108 108 ASN H H 108 7.410 7.410 7.506 -0.096 25104 8769 1 10 . 1 1 109 109 GLY N N 109 110.835 110.835 110.759 0.076 25104 8770 1 10 . 1 1 109 109 GLY C C 109 172.087 172.087 172.870 -0.783 25104 8771 1 10 . 1 1 109 109 GLY CA C 109 45.940 45.940 45.474 0.466 25104 8772 1 10 . 1 1 109 109 GLY H H 109 9.192 9.192 8.306 0.886 25104 8773 1 10 . 1 1 110 110 SER N N 110 117.149 117.149 114.965 2.184 25104 8774 1 10 . 1 1 110 110 SER HA H 110 4.751 4.751 5.092 -0.341 25104 8775 1 10 . 1 1 110 110 SER C C 110 177.075 177.075 173.999 3.076 25104 8776 1 10 . 1 1 110 110 SER CA C 110 57.526 57.526 56.351 1.175 25104 8777 1 10 . 1 1 110 110 SER CB C 110 66.180 66.180 65.441 0.739 25104 8778 1 10 . 1 1 110 110 SER H H 110 8.793 8.793 7.467 1.326 25104 8779 1 10 . 1 1 111 111 GLN N N 111 124.594 124.594 119.775 4.819 25104 8780 1 10 . 1 1 111 111 GLN HA H 111 4.225 4.225 3.956 0.269 25104 8781 1 10 . 1 1 111 111 GLN C C 111 179.174 179.174 175.273 3.901 25104 8782 1 10 . 1 1 111 111 GLN CA C 111 58.144 58.144 57.718 0.426 25104 8783 1 10 . 1 1 111 111 GLN CB C 111 31.558 31.558 28.517 3.042 25104 8784 1 10 . 1 1 111 111 GLN H H 111 8.438 8.438 8.458 -0.020 25104 8785 1 10 . 1 1 112 112 PHE N N 112 118.008 118.008 113.950 4.058 25104 8786 1 10 . 1 1 112 112 PHE HA H 112 5.806 5.806 5.367 0.439 25104 8787 1 10 . 1 1 112 112 PHE C C 112 172.840 172.840 173.556 -0.716 25104 8788 1 10 . 1 1 112 112 PHE CA C 112 55.584 55.584 55.888 -0.304 25104 8789 1 10 . 1 1 112 112 PHE CB C 112 43.323 43.323 42.827 0.496 25104 8790 1 10 . 1 1 112 112 PHE H H 112 8.120 8.120 8.032 0.088 25104 8791 1 10 . 1 1 113 113 PHE N N 113 116.406 116.406 113.746 2.660 25104 8792 1 10 . 1 1 113 113 PHE HA H 113 5.739 5.739 5.273 0.466 25104 8793 1 10 . 1 1 113 113 PHE C C 113 175.349 175.349 173.099 2.250 25104 8794 1 10 . 1 1 113 113 PHE CA C 113 54.684 54.684 56.303 -1.619 25104 8795 1 10 . 1 1 113 113 PHE CB C 113 42.825 42.825 42.601 0.224 25104 8796 1 10 . 1 1 113 113 PHE H H 113 9.832 9.832 8.815 1.017 25104 8797 1 10 . 1 1 114 114 ILE N N 114 118.683 118.683 120.077 -1.394 25104 8798 1 10 . 1 1 114 114 ILE HA H 114 4.842 4.842 5.064 -0.222 25104 8799 1 10 . 1 1 114 114 ILE C C 114 178.414 178.414 175.830 2.584 25104 8800 1 10 . 1 1 114 114 ILE CA C 114 60.265 60.265 59.724 0.541 25104 8801 1 10 . 1 1 114 114 ILE CB C 114 40.466 40.466 40.455 0.011 25104 8802 1 10 . 1 1 114 114 ILE H H 114 9.156 9.156 8.583 0.573 25104 8803 1 10 . 1 1 115 115 CYS N N 115 125.524 125.524 128.267 -2.743 25104 8804 1 10 . 1 1 115 115 CYS HA H 115 4.808 4.808 4.824 -0.016 25104 8805 1 10 . 1 1 115 115 CYS C C 115 177.658 177.658 176.688 0.970 25104 8806 1 10 . 1 1 115 115 CYS CA C 115 60.803 60.803 57.756 3.047 25104 8807 1 10 . 1 1 115 115 CYS CB C 115 28.723 28.723 25.716 3.007 25104 8808 1 10 . 1 1 115 115 CYS H H 115 9.616 9.616 8.962 0.654 25104 8809 1 10 . 1 1 116 116 THR N N 116 115.801 115.801 117.973 -2.172 25104 8810 1 10 . 1 1 116 116 THR HA H 116 4.380 4.380 4.212 0.168 25104 8811 1 10 . 1 1 116 116 THR C C 116 178.496 178.496 174.470 4.026 25104 8812 1 10 . 1 1 116 116 THR CA C 116 60.844 60.844 63.910 -3.066 25104 8813 1 10 . 1 1 116 116 THR CB C 116 66.730 66.730 69.153 -2.423 25104 8814 1 10 . 1 1 116 116 THR H H 116 8.990 8.990 8.351 0.639 25104 8815 1 10 . 1 1 117 117 ALA N N 117 122.356 122.356 123.410 -1.054 25104 8816 1 10 . 1 1 117 117 ALA HA H 117 4.420 4.420 4.672 -0.252 25104 8817 1 10 . 1 1 117 117 ALA C C 117 176.114 176.114 175.348 0.766 25104 8818 1 10 . 1 1 117 117 ALA CA C 117 50.668 50.668 50.393 0.275 25104 8819 1 10 . 1 1 117 117 ALA CB C 117 22.795 22.795 21.258 1.537 25104 8820 1 10 . 1 1 117 117 ALA H H 117 7.641 7.641 7.405 0.236 25104 8821 1 10 . 1 1 118 118 LYS N N 118 119.855 119.855 119.395 0.460 25104 8822 1 10 . 1 1 118 118 LYS HA H 118 3.840 3.840 4.406 -0.566 25104 8823 1 10 . 1 1 118 118 LYS C C 118 177.211 177.211 176.287 0.924 25104 8824 1 10 . 1 1 118 118 LYS CA C 118 57.913 57.913 56.205 1.708 25104 8825 1 10 . 1 1 118 118 LYS CB C 118 32.708 32.708 30.733 1.975 25104 8826 1 10 . 1 1 118 118 LYS H H 118 8.693 8.693 8.482 0.211 25104 8827 1 10 . 1 1 119 119 THR N N 119 119.004 119.004 116.069 2.935 25104 8828 1 10 . 1 1 119 119 THR HA H 119 3.730 3.730 3.536 0.194 25104 8829 1 10 . 1 1 119 119 THR C C 119 177.928 177.928 174.844 3.084 25104 8830 1 10 . 1 1 119 119 THR CA C 119 57.301 57.301 60.729 -3.428 25104 8831 1 10 . 1 1 119 119 THR CB C 119 68.717 68.717 68.055 0.662 25104 8832 1 10 . 1 1 119 119 THR H H 119 7.373 7.373 8.063 -0.690 25104 8833 1 10 . 1 1 120 120 GLU N N 120 124.713 124.713 124.176 0.537 25104 8834 1 10 . 1 1 120 120 GLU HA H 120 4.162 4.162 4.120 0.042 25104 8835 1 10 . 1 1 120 120 GLU C C 120 178.190 178.190 177.621 0.569 25104 8836 1 10 . 1 1 120 120 GLU CA C 120 59.334 59.334 58.535 0.799 25104 8837 1 10 . 1 1 120 120 GLU CB C 120 29.322 29.322 29.021 0.301 25104 8838 1 10 . 1 1 120 120 GLU H H 120 9.139 9.139 7.737 1.402 25104 8839 1 10 . 1 1 121 121 TRP N N 121 117.782 117.782 115.991 1.791 25104 8840 1 10 . 1 1 121 121 TRP HA H 121 4.716 4.716 4.518 0.198 25104 8841 1 10 . 1 1 121 121 TRP C C 121 177.244 177.244 176.232 1.012 25104 8842 1 10 . 1 1 121 121 TRP CA C 121 59.748 59.748 57.240 2.508 25104 8843 1 10 . 1 1 121 121 TRP CB C 121 26.947 26.947 28.605 -1.658 25104 8844 1 10 . 1 1 121 121 TRP H H 121 7.297 7.297 7.569 -0.272 25104 8845 1 10 . 1 1 122 122 LEU N N 122 119.806 119.806 118.122 1.684 25104 8846 1 10 . 1 1 122 122 LEU HA H 122 4.315 4.315 4.374 -0.059 25104 8847 1 10 . 1 1 122 122 LEU C C 122 173.304 173.304 176.432 -3.128 25104 8848 1 10 . 1 1 122 122 LEU CA C 122 54.543 54.543 53.977 0.566 25104 8849 1 10 . 1 1 122 122 LEU CB C 122 39.075 39.075 41.043 -1.968 25104 8850 1 10 . 1 1 122 122 LEU H H 122 7.037 7.037 6.751 0.286 25104 8851 1 10 . 1 1 123 123 ASP N N 123 122.205 122.205 121.153 1.052 25104 8852 1 10 . 1 1 123 123 ASP HA H 123 5.222 5.222 4.715 0.507 25104 8853 1 10 . 1 1 123 123 ASP C C 123 179.276 179.276 177.076 2.200 25104 8854 1 10 . 1 1 123 123 ASP CA C 123 55.889 55.889 55.807 0.082 25104 8855 1 10 . 1 1 123 123 ASP CB C 123 39.517 39.517 40.434 -0.917 25104 8856 1 10 . 1 1 123 123 ASP H H 123 7.643 7.643 7.382 0.261 25104 8857 1 10 . 1 1 124 124 GLY N N 124 111.205 111.205 111.839 -0.634 25104 8858 1 10 . 1 1 124 124 GLY C C 124 173.148 173.148 174.226 -1.078 25104 8859 1 10 . 1 1 124 124 GLY CA C 124 45.114 45.114 44.702 0.412 25104 8860 1 10 . 1 1 124 124 GLY H H 124 9.550 9.550 8.676 0.874 25104 8861 1 10 . 1 1 125 125 LYS N N 125 115.408 115.408 121.297 -5.889 25104 8862 1 10 . 1 1 125 125 LYS HA H 125 4.173 4.173 4.451 -0.278 25104 8863 1 10 . 1 1 125 125 LYS C C 125 176.351 176.351 175.972 0.379 25104 8864 1 10 . 1 1 125 125 LYS CA C 125 56.341 56.341 55.960 0.381 25104 8865 1 10 . 1 1 125 125 LYS CB C 125 35.504 35.504 34.070 1.434 25104 8866 1 10 . 1 1 125 125 LYS H H 125 7.765 7.765 7.719 0.046 25104 8867 1 10 . 1 1 126 126 HIS N N 126 119.526 119.526 120.174 -0.648 25104 8868 1 10 . 1 1 126 126 HIS HA H 126 4.863 4.863 4.785 0.078 25104 8869 1 10 . 1 1 126 126 HIS C C 126 174.784 174.784 175.128 -0.344 25104 8870 1 10 . 1 1 126 126 HIS CA C 126 54.923 54.923 55.729 -0.806 25104 8871 1 10 . 1 1 126 126 HIS CB C 126 31.675 31.675 30.828 0.847 25104 8872 1 10 . 1 1 126 126 HIS H H 126 7.600 7.600 8.671 -1.071 25104 8873 1 10 . 1 1 127 127 VAL N N 127 125.009 125.009 125.264 -0.255 25104 8874 1 10 . 1 1 127 127 VAL HA H 127 4.307 4.307 3.977 0.330 25104 8875 1 10 . 1 1 127 127 VAL C C 127 176.442 176.442 176.245 0.197 25104 8876 1 10 . 1 1 127 127 VAL CA C 127 63.893 63.893 63.237 0.656 25104 8877 1 10 . 1 1 127 127 VAL CB C 127 33.553 33.553 31.909 1.644 25104 8878 1 10 . 1 1 127 127 VAL H H 127 8.523 8.523 8.264 0.259 25104 8879 1 10 . 1 1 128 128 VAL N N 128 133.065 133.065 124.418 8.647 25104 8880 1 10 . 1 1 128 128 VAL HA H 128 4.176 4.176 3.347 0.829 25104 8881 1 10 . 1 1 128 128 VAL C C 128 176.113 176.113 175.646 0.467 25104 8882 1 10 . 1 1 128 128 VAL CA C 128 63.172 63.172 64.117 -0.945 25104 8883 1 10 . 1 1 128 128 VAL CB C 128 31.612 31.612 31.764 -0.152 25104 8884 1 10 . 1 1 128 128 VAL H H 128 9.474 9.474 7.743 1.731 25104 8885 1 10 . 1 1 129 129 PHE N N 129 117.892 117.892 116.224 1.668 25104 8886 1 10 . 1 1 129 129 PHE HA H 129 5.308 5.308 4.973 0.335 25104 8887 1 10 . 1 1 129 129 PHE C C 129 173.725 173.725 174.278 -0.553 25104 8888 1 10 . 1 1 129 129 PHE CA C 129 55.969 55.969 56.774 -0.805 25104 8889 1 10 . 1 1 129 129 PHE CB C 129 42.581 42.581 41.310 1.271 25104 8890 1 10 . 1 1 129 129 PHE H H 129 8.138 8.138 7.665 0.473 25104 8891 1 10 . 1 1 130 130 GLY N N 130 110.747 110.747 107.012 3.735 25104 8892 1 10 . 1 1 130 130 GLY C C 130 171.591 171.591 171.747 -0.156 25104 8893 1 10 . 1 1 130 130 GLY CA C 130 46.505 46.505 44.685 1.820 25104 8894 1 10 . 1 1 130 130 GLY H H 130 7.356 7.356 7.356 0.000 25104 8895 1 10 . 1 1 131 131 LYS N N 131 115.453 115.453 121.427 -5.974 25104 8896 1 10 . 1 1 131 131 LYS HA H 131 5.246 5.246 5.262 -0.016 25104 8897 1 10 . 1 1 131 131 LYS C C 131 176.109 176.109 175.473 0.636 25104 8898 1 10 . 1 1 131 131 LYS CA C 131 54.887 54.887 54.774 0.113 25104 8899 1 10 . 1 1 131 131 LYS CB C 131 36.077 36.077 37.371 -1.294 25104 8900 1 10 . 1 1 131 131 LYS H H 131 8.390 8.390 8.120 0.270 25104 8901 1 10 . 1 1 132 132 VAL N N 132 124.311 124.311 127.973 -3.662 25104 8902 1 10 . 1 1 132 132 VAL HA H 132 3.955 3.955 3.759 0.196 25104 8903 1 10 . 1 1 132 132 VAL C C 132 176.489 176.489 176.432 0.057 25104 8904 1 10 . 1 1 132 132 VAL CA C 132 64.284 64.284 63.949 0.335 25104 8905 1 10 . 1 1 132 132 VAL CB C 132 32.709 32.709 30.900 1.809 25104 8906 1 10 . 1 1 132 132 VAL H H 132 9.071 9.071 8.413 0.658 25104 8907 1 10 . 1 1 133 133 LYS N N 133 131.670 131.670 127.247 4.423 25104 8908 1 10 . 1 1 133 133 LYS HA H 133 4.483 4.483 4.326 0.157 25104 8909 1 10 . 1 1 133 133 LYS C C 133 176.283 176.283 177.072 -0.789 25104 8910 1 10 . 1 1 133 133 LYS CA C 133 56.978 56.978 56.788 0.190 25104 8911 1 10 . 1 1 133 133 LYS CB C 133 34.028 34.028 33.318 0.710 25104 8912 1 10 . 1 1 133 133 LYS H H 133 9.494 9.494 8.362 1.132 25104 8913 1 10 . 1 1 134 134 GLU N N 134 118.417 118.417 119.627 -1.210 25104 8914 1 10 . 1 1 134 134 GLU HA H 134 4.639 4.639 4.489 0.150 25104 8915 1 10 . 1 1 134 134 GLU C C 134 175.925 175.925 176.538 -0.613 25104 8916 1 10 . 1 1 134 134 GLU CA C 134 55.235 55.235 55.227 0.008 25104 8917 1 10 . 1 1 134 134 GLU CB C 134 32.909 32.909 31.252 1.657 25104 8918 1 10 . 1 1 134 134 GLU H H 134 7.571 7.571 7.695 -0.124 25104 8919 1 10 . 1 1 135 135 GLY N N 135 108.109 108.109 111.719 -3.610 25104 8920 1 10 . 1 1 135 135 GLY C C 135 178.060 178.060 175.405 2.655 25104 8921 1 10 . 1 1 135 135 GLY CA C 135 46.195 46.195 45.709 0.486 25104 8922 1 10 . 1 1 135 135 GLY H H 135 8.695 8.695 8.854 -0.159 25104 8923 1 10 . 1 1 136 136 MET N N 136 122.582 122.582 119.525 3.057 25104 8924 1 10 . 1 1 136 136 MET HA H 136 4.496 4.496 4.072 0.424 25104 8925 1 10 . 1 1 136 136 MET C C 136 178.649 178.649 177.063 1.586 25104 8926 1 10 . 1 1 136 136 MET CA C 136 56.829 56.829 57.043 -0.214 25104 8927 1 10 . 1 1 136 136 MET CB C 136 30.215 30.215 32.499 -2.284 25104 8928 1 10 . 1 1 136 136 MET H H 136 8.854 8.854 8.302 0.552 25104 8929 1 10 . 1 1 137 137 ASN N N 137 114.457 114.457 117.068 -2.611 25104 8930 1 10 . 1 1 137 137 ASN HA H 137 4.504 4.504 4.460 0.044 25104 8931 1 10 . 1 1 137 137 ASN C C 137 178.441 178.441 177.602 0.839 25104 8932 1 10 . 1 1 137 137 ASN CA C 137 55.819 55.819 56.376 -0.557 25104 8933 1 10 . 1 1 137 137 ASN CB C 137 36.016 36.016 37.977 -1.961 25104 8934 1 10 . 1 1 137 137 ASN H H 137 8.932 8.932 8.432 0.500 25104 8935 1 10 . 1 1 138 138 ILE N N 138 124.190 124.190 118.865 5.325 25104 8936 1 10 . 1 1 138 138 ILE HA H 138 3.800 3.800 3.855 -0.055 25104 8937 1 10 . 1 1 138 138 ILE C C 138 178.595 178.595 177.651 0.944 25104 8938 1 10 . 1 1 138 138 ILE CA C 138 61.581 61.581 63.547 -1.966 25104 8939 1 10 . 1 1 138 138 ILE CB C 138 34.468 34.468 36.624 -2.156 25104 8940 1 10 . 1 1 138 138 ILE H H 138 7.686 7.686 7.942 -0.256 25104 8941 1 10 . 1 1 139 139 VAL N N 139 121.912 121.912 120.500 1.412 25104 8942 1 10 . 1 1 139 139 VAL HA H 139 3.879 3.879 3.593 0.286 25104 8943 1 10 . 1 1 139 139 VAL C C 139 179.051 179.051 178.543 0.508 25104 8944 1 10 . 1 1 139 139 VAL CA C 139 66.206 66.206 66.923 -0.717 25104 8945 1 10 . 1 1 139 139 VAL CB C 139 31.195 31.195 30.791 0.404 25104 8946 1 10 . 1 1 139 139 VAL H H 139 7.286 7.286 7.777 -0.491 25104 8947 1 10 . 1 1 140 140 GLU N N 140 117.357 117.357 119.143 -1.786 25104 8948 1 10 . 1 1 140 140 GLU HA H 140 4.095 4.095 3.995 0.100 25104 8949 1 10 . 1 1 140 140 GLU C C 140 180.486 180.486 179.067 1.419 25104 8950 1 10 . 1 1 140 140 GLU CA C 140 59.336 59.336 59.318 0.018 25104 8951 1 10 . 1 1 140 140 GLU CB C 140 30.199 30.199 29.295 0.904 25104 8952 1 10 . 1 1 140 140 GLU H H 140 8.309 8.309 7.940 0.369 25104 8953 1 10 . 1 1 141 141 ALA N N 141 121.133 121.133 121.736 -0.603 25104 8954 1 10 . 1 1 141 141 ALA HA H 141 4.118 4.118 4.068 0.050 25104 8955 1 10 . 1 1 141 141 ALA C C 141 181.524 181.524 179.435 2.089 25104 8956 1 10 . 1 1 141 141 ALA CA C 141 54.771 54.771 54.971 -0.200 25104 8957 1 10 . 1 1 141 141 ALA CB C 141 18.207 18.207 18.519 -0.312 25104 8958 1 10 . 1 1 141 141 ALA H H 141 7.539 7.539 7.887 -0.348 25104 8959 1 10 . 1 1 142 142 MET N N 142 117.513 117.513 115.691 1.822 25104 8960 1 10 . 1 1 142 142 MET HA H 142 3.993 3.993 4.626 -0.633 25104 8961 1 10 . 1 1 142 142 MET C C 142 178.862 178.862 178.532 0.330 25104 8962 1 10 . 1 1 142 142 MET CA C 142 59.678 59.678 58.547 1.131 25104 8963 1 10 . 1 1 142 142 MET CB C 142 33.723 33.723 32.479 1.244 25104 8964 1 10 . 1 1 142 142 MET H H 142 8.284 8.284 8.035 0.249 25104 8965 1 10 . 1 1 143 143 GLU N N 143 116.365 116.365 120.278 -3.913 25104 8966 1 10 . 1 1 143 143 GLU HA H 143 3.772 3.772 4.037 -0.265 25104 8967 1 10 . 1 1 143 143 GLU C C 143 179.051 179.051 178.578 0.473 25104 8968 1 10 . 1 1 143 143 GLU CA C 143 59.345 59.345 59.253 0.092 25104 8969 1 10 . 1 1 143 143 GLU CB C 143 30.470 30.470 29.466 1.004 25104 8970 1 10 . 1 1 143 143 GLU H H 143 7.853 7.853 8.002 -0.149 25104 8971 1 10 . 1 1 144 144 ARG N N 144 114.753 114.753 117.185 -2.432 25104 8972 1 10 . 1 1 144 144 ARG HA H 144 3.978 3.978 4.025 -0.047 25104 8973 1 10 . 1 1 144 144 ARG C C 144 178.222 178.222 177.350 0.872 25104 8974 1 10 . 1 1 144 144 ARG CA C 144 57.669 57.669 57.862 -0.194 25104 8975 1 10 . 1 1 144 144 ARG CB C 144 29.523 29.523 30.039 -0.516 25104 8976 1 10 . 1 1 144 144 ARG H H 144 7.082 7.082 7.271 -0.189 25104 8977 1 10 . 1 1 145 145 PHE N N 145 115.388 115.388 116.940 -1.552 25104 8978 1 10 . 1 1 145 145 PHE HA H 145 4.851 4.851 4.547 0.304 25104 8979 1 10 . 1 1 145 145 PHE C C 145 176.868 176.868 175.011 1.857 25104 8980 1 10 . 1 1 145 145 PHE CA C 145 57.717 57.717 57.996 -0.279 25104 8981 1 10 . 1 1 145 145 PHE CB C 145 38.998 38.998 38.326 0.672 25104 8982 1 10 . 1 1 145 145 PHE H H 145 7.651 7.651 7.330 0.321 25104 8983 1 10 . 1 1 146 146 GLY N N 146 104.842 104.842 107.411 -2.569 25104 8984 1 10 . 1 1 146 146 GLY C C 146 172.946 172.946 173.561 -0.615 25104 8985 1 10 . 1 1 146 146 GLY CA C 146 44.065 44.065 44.046 0.019 25104 8986 1 10 . 1 1 146 146 GLY H H 146 7.551 7.551 7.537 0.014 25104 8987 1 10 . 1 1 147 147 SER N N 147 110.079 110.079 112.936 -2.857 25104 8988 1 10 . 1 1 147 147 SER HA H 147 4.813 4.813 4.839 -0.026 25104 8989 1 10 . 1 1 147 147 SER C C 147 176.384 176.384 175.556 0.828 25104 8990 1 10 . 1 1 147 147 SER CA C 147 58.165 58.165 57.033 1.132 25104 8991 1 10 . 1 1 147 147 SER CB C 147 65.804 65.804 66.505 -0.701 25104 8992 1 10 . 1 1 147 147 SER H H 147 8.229 8.229 8.132 0.097 25104 8993 1 10 . 1 1 148 148 ARG N N 148 120.299 120.299 122.133 -1.834 25104 8994 1 10 . 1 1 148 148 ARG HA H 148 4.221 4.221 4.208 0.013 25104 8995 1 10 . 1 1 148 148 ARG C C 148 177.709 177.709 176.490 1.219 25104 8996 1 10 . 1 1 148 148 ARG CA C 148 59.810 59.810 58.567 1.243 25104 8997 1 10 . 1 1 148 148 ARG CB C 148 29.896 29.896 29.501 0.395 25104 8998 1 10 . 1 1 148 148 ARG H H 148 8.850 8.850 8.788 0.062 25104 8999 1 10 . 1 1 149 149 ASN N N 149 111.689 111.689 114.751 -3.062 25104 9000 1 10 . 1 1 149 149 ASN HA H 149 4.901 4.901 4.699 0.202 25104 9001 1 10 . 1 1 149 149 ASN C C 149 177.708 177.708 175.790 1.918 25104 9002 1 10 . 1 1 149 149 ASN CA C 149 52.305 52.305 52.725 -0.420 25104 9003 1 10 . 1 1 149 149 ASN CB C 149 38.477 38.477 38.080 0.397 25104 9004 1 10 . 1 1 149 149 ASN H H 149 7.891 7.891 8.090 -0.199 25104 9005 1 10 . 1 1 150 150 GLY N N 150 110.138 110.138 108.196 1.942 25104 9006 1 10 . 1 1 150 150 GLY C C 150 174.368 174.368 173.535 0.833 25104 9007 1 10 . 1 1 150 150 GLY CA C 150 45.257 45.257 44.893 0.364 25104 9008 1 10 . 1 1 150 150 GLY H H 150 8.087 8.087 7.964 0.123 25104 9009 1 10 . 1 1 151 151 LYS N N 151 119.859 119.859 122.596 -2.737 25104 9010 1 10 . 1 1 151 151 LYS HA H 151 4.466 4.466 4.285 0.181 25104 9011 1 10 . 1 1 151 151 LYS C C 151 179.533 179.533 176.140 3.393 25104 9012 1 10 . 1 1 151 151 LYS CA C 151 57.088 57.088 56.568 0.520 25104 9013 1 10 . 1 1 151 151 LYS CB C 151 32.435 32.435 33.535 -1.100 25104 9014 1 10 . 1 1 151 151 LYS H H 151 7.534 7.534 7.653 -0.119 25104 9015 1 10 . 1 1 152 152 THR N N 152 116.442 116.442 116.439 0.003 25104 9016 1 10 . 1 1 152 152 THR HA H 152 5.579 5.579 4.590 0.989 25104 9017 1 10 . 1 1 152 152 THR C C 152 176.969 176.969 174.705 2.264 25104 9018 1 10 . 1 1 152 152 THR CA C 152 60.097 60.097 61.233 -1.136 25104 9019 1 10 . 1 1 152 152 THR CB C 152 71.324 71.324 69.121 2.204 25104 9020 1 10 . 1 1 152 152 THR H H 152 8.837 8.837 8.676 0.161 25104 9021 1 10 . 1 1 153 153 SER N N 153 117.113 117.113 120.430 -3.317 25104 9022 1 10 . 1 1 153 153 SER HA H 153 4.574 4.574 4.255 0.319 25104 9023 1 10 . 1 1 153 153 SER C C 153 175.737 175.737 174.666 1.071 25104 9024 1 10 . 1 1 153 153 SER CA C 153 58.222 58.222 60.901 -2.679 25104 9025 1 10 . 1 1 153 153 SER CB C 153 63.922 63.922 63.514 0.409 25104 9026 1 10 . 1 1 153 153 SER H H 153 9.424 9.424 8.880 0.544 25104 9027 1 10 . 1 1 154 154 LYS N N 154 119.347 119.347 120.078 -0.731 25104 9028 1 10 . 1 1 154 154 LYS HA H 154 4.594 4.594 4.500 0.094 25104 9029 1 10 . 1 1 154 154 LYS C C 154 175.436 175.436 175.390 0.046 25104 9030 1 10 . 1 1 154 154 LYS CA C 154 54.578 54.578 54.177 0.401 25104 9031 1 10 . 1 1 154 154 LYS CB C 154 38.443 38.443 34.416 4.027 25104 9032 1 10 . 1 1 154 154 LYS H H 154 7.566 7.566 7.516 0.050 25104 9033 1 10 . 1 1 155 155 LYS N N 155 121.869 121.869 124.542 -2.673 25104 9034 1 10 . 1 1 155 155 LYS HA H 155 4.348 4.348 4.348 0.000 25104 9035 1 10 . 1 1 155 155 LYS C C 155 176.946 176.946 176.009 0.937 25104 9036 1 10 . 1 1 155 155 LYS CA C 155 56.325 56.325 55.707 0.618 25104 9037 1 10 . 1 1 155 155 LYS CB C 155 32.136 32.136 31.597 0.539 25104 9038 1 10 . 1 1 155 155 LYS H H 155 8.820 8.820 8.493 0.327 25104 9039 1 10 . 1 1 156 156 ILE N N 156 134.145 134.145 129.573 4.572 25104 9040 1 10 . 1 1 156 156 ILE HA H 156 5.134 5.134 5.001 0.133 25104 9041 1 10 . 1 1 156 156 ILE C C 156 177.451 177.451 175.489 1.962 25104 9042 1 10 . 1 1 156 156 ILE CA C 156 59.538 59.538 60.396 -0.858 25104 9043 1 10 . 1 1 156 156 ILE CB C 156 37.167 37.167 38.874 -1.707 25104 9044 1 10 . 1 1 156 156 ILE H H 156 9.609 9.609 8.117 1.492 25104 9045 1 10 . 1 1 157 157 THR N N 157 117.447 117.447 118.261 -0.814 25104 9046 1 10 . 1 1 157 157 THR HA H 157 5.311 5.311 5.214 0.097 25104 9047 1 10 . 1 1 157 157 THR C C 157 174.572 174.572 174.084 0.488 25104 9048 1 10 . 1 1 157 157 THR CA C 157 59.679 59.679 59.389 0.290 25104 9049 1 10 . 1 1 157 157 THR CB C 157 72.708 72.708 72.108 0.600 25104 9050 1 10 . 1 1 157 157 THR H H 157 9.281 9.281 9.098 0.183 25104 9051 1 10 . 1 1 158 158 ILE N N 158 121.950 121.950 123.173 -1.223 25104 9052 1 10 . 1 1 158 158 ILE HA H 158 4.293 4.293 4.502 -0.209 25104 9053 1 10 . 1 1 158 158 ILE C C 158 175.631 175.631 176.588 -0.957 25104 9054 1 10 . 1 1 158 158 ILE CA C 158 60.992 60.992 61.540 -0.548 25104 9055 1 10 . 1 1 158 158 ILE CB C 158 36.826 36.826 36.477 0.349 25104 9056 1 10 . 1 1 158 158 ILE H H 158 8.624 8.624 8.355 0.269 25104 9057 1 10 . 1 1 159 159 ALA N N 159 132.727 132.727 130.153 2.574 25104 9058 1 10 . 1 1 159 159 ALA HA H 159 4.179 4.179 4.074 0.105 25104 9059 1 10 . 1 1 159 159 ALA C C 159 179.489 179.489 176.910 2.579 25104 9060 1 10 . 1 1 159 159 ALA CA C 159 54.243 54.243 54.588 -0.345 25104 9061 1 10 . 1 1 159 159 ALA CB C 159 18.804 18.804 19.385 -0.581 25104 9062 1 10 . 1 1 159 159 ALA H H 159 8.910 8.910 8.741 0.169 25104 9063 1 10 . 1 1 160 160 ASP N N 160 111.561 111.561 114.108 -2.547 25104 9064 1 10 . 1 1 160 160 ASP HA H 160 4.937 4.937 4.921 0.016 25104 9065 1 10 . 1 1 160 160 ASP C C 160 173.920 173.920 174.028 -0.108 25104 9066 1 10 . 1 1 160 160 ASP CA C 160 52.873 52.873 53.966 -1.093 25104 9067 1 10 . 1 1 160 160 ASP CB C 160 43.620 43.620 43.383 0.236 25104 9068 1 10 . 1 1 160 160 ASP H H 160 8.107 8.107 7.637 0.470 25104 9069 1 10 . 1 1 161 161 CYS N N 161 116.145 116.145 118.177 -2.032 25104 9070 1 10 . 1 1 161 161 CYS HA H 161 4.626 4.626 6.037 -1.411 25104 9071 1 10 . 1 1 161 161 CYS C C 161 173.426 173.426 174.562 -1.136 25104 9072 1 10 . 1 1 161 161 CYS CA C 161 55.518 55.518 55.973 -0.455 25104 9073 1 10 . 1 1 161 161 CYS CB C 161 31.463 31.463 32.862 -1.399 25104 9074 1 10 . 1 1 161 161 CYS H H 161 8.640 8.640 8.497 0.143 25104 9075 1 10 . 1 1 162 162 GLY N N 162 104.114 104.114 108.350 -4.236 25104 9076 1 10 . 1 1 162 162 GLY C C 162 171.116 171.116 173.113 -1.997 25104 9077 1 10 . 1 1 162 162 GLY CA C 162 45.436 45.436 44.890 0.546 25104 9078 1 10 . 1 1 162 162 GLY H H 162 6.889 6.889 8.655 -1.766 25104 9079 1 10 . 1 1 163 163 GLN N N 163 121.022 121.022 118.910 2.112 25104 9080 1 10 . 1 1 163 163 GLN HA H 163 5.150 5.150 4.226 0.924 25104 9081 1 10 . 1 1 163 163 GLN C C 163 176.548 176.548 174.589 1.959 25104 9082 1 10 . 1 1 163 163 GLN CA C 163 54.794 54.794 56.090 -1.296 25104 9083 1 10 . 1 1 163 163 GLN CB C 163 30.765 30.765 29.176 1.589 25104 9084 1 10 . 1 1 163 163 GLN H H 163 9.062 9.062 8.123 0.939 25104 9085 1 10 . 1 1 164 164 LEU N N 164 126.034 126.034 126.416 -0.382 25104 9086 1 10 . 1 1 164 164 LEU HA H 164 4.641 4.641 4.423 0.218 25104 9087 1 10 . 1 1 164 164 LEU C C 164 177.108 177.108 176.491 0.617 25104 9088 1 10 . 1 1 164 164 LEU CA C 164 55.036 55.036 54.004 1.032 25104 9089 1 10 . 1 1 164 164 LEU CB C 164 43.560 43.560 41.231 2.329 25104 9090 1 10 . 1 1 164 164 LEU H H 164 8.639 8.639 8.464 0.175 25104 9091 1 11 . 1 1 2 2 VAL N N 2 111.261 111.261 121.325 -10.064 25104 9092 1 11 . 1 1 2 2 VAL HA H 2 4.126 4.126 4.111 0.015 25104 9093 1 11 . 1 1 2 2 VAL C C 2 176.404 176.404 175.194 1.210 25104 9094 1 11 . 1 1 2 2 VAL CA C 2 61.417 61.417 62.388 -0.971 25104 9095 1 11 . 1 1 2 2 VAL CB C 2 33.763 33.763 32.494 1.269 25104 9096 1 11 . 1 1 2 2 VAL H H 2 8.447 8.447 8.224 0.223 25104 9097 1 11 . 1 1 3 3 ASN N N 3 126.056 126.056 120.819 5.237 25104 9098 1 11 . 1 1 3 3 ASN HA H 3 5.205 5.205 4.658 0.547 25104 9099 1 11 . 1 1 3 3 ASN CA C 3 50.987 50.987 52.487 -1.500 25104 9100 1 11 . 1 1 3 3 ASN CB C 3 38.031 38.031 38.558 -0.527 25104 9101 1 11 . 1 1 3 3 ASN H H 3 8.666 8.666 8.019 0.647 25104 9102 1 11 . 1 1 4 4 PRO HA H 4 4.818 4.818 4.314 0.504 25104 9103 1 11 . 1 1 4 4 PRO C C 4 176.242 176.242 175.921 0.321 25104 9104 1 11 . 1 1 4 4 PRO CA C 4 62.832 62.832 63.207 -0.375 25104 9105 1 11 . 1 1 4 4 PRO CB C 4 33.162 33.162 31.869 1.293 25104 9106 1 11 . 1 1 5 5 THR N N 5 115.265 115.265 120.477 -5.212 25104 9107 1 11 . 1 1 5 5 THR HA H 5 5.759 5.759 4.745 1.014 25104 9108 1 11 . 1 1 5 5 THR C C 5 176.483 176.483 174.277 2.206 25104 9109 1 11 . 1 1 5 5 THR CA C 5 60.867 60.867 62.250 -1.383 25104 9110 1 11 . 1 1 5 5 THR CB C 5 71.050 71.050 70.013 1.037 25104 9111 1 11 . 1 1 5 5 THR H H 5 8.787 8.787 8.270 0.517 25104 9112 1 11 . 1 1 6 6 VAL N N 6 120.640 120.640 121.856 -1.216 25104 9113 1 11 . 1 1 6 6 VAL HA H 6 5.379 5.379 4.480 0.899 25104 9114 1 11 . 1 1 6 6 VAL C C 6 174.710 174.710 173.541 1.169 25104 9115 1 11 . 1 1 6 6 VAL CA C 6 58.881 58.881 59.336 -0.455 25104 9116 1 11 . 1 1 6 6 VAL CB C 6 36.180 36.180 34.421 1.759 25104 9117 1 11 . 1 1 6 6 VAL H H 6 8.805 8.805 8.511 0.294 25104 9118 1 11 . 1 1 7 7 PHE N N 7 119.359 119.359 124.099 -4.740 25104 9119 1 11 . 1 1 7 7 PHE HA H 7 5.948 5.948 5.175 0.773 25104 9120 1 11 . 1 1 7 7 PHE C C 7 173.634 173.634 173.039 0.595 25104 9121 1 11 . 1 1 7 7 PHE CA C 7 55.925 55.925 55.908 0.017 25104 9122 1 11 . 1 1 7 7 PHE CB C 7 43.166 43.166 42.571 0.595 25104 9123 1 11 . 1 1 7 7 PHE H H 7 8.995 8.995 7.919 1.076 25104 9124 1 11 . 1 1 8 8 PHE N N 8 117.097 117.097 122.488 -5.391 25104 9125 1 11 . 1 1 8 8 PHE HA H 8 5.367 5.367 5.019 0.348 25104 9126 1 11 . 1 1 8 8 PHE C C 8 176.000 176.000 173.898 2.102 25104 9127 1 11 . 1 1 8 8 PHE CA C 8 53.460 53.460 55.801 -2.341 25104 9128 1 11 . 1 1 8 8 PHE CB C 8 42.791 42.791 43.438 -0.647 25104 9129 1 11 . 1 1 8 8 PHE H H 8 9.571 9.571 8.409 1.162 25104 9130 1 11 . 1 1 9 9 ASP N N 9 124.287 124.287 122.294 1.993 25104 9131 1 11 . 1 1 9 9 ASP HA H 9 5.585 5.585 5.077 0.508 25104 9132 1 11 . 1 1 9 9 ASP C C 9 176.286 176.286 175.022 1.264 25104 9133 1 11 . 1 1 9 9 ASP CA C 9 54.831 54.831 53.909 0.922 25104 9134 1 11 . 1 1 9 9 ASP CB C 9 41.366 41.366 42.948 -1.582 25104 9135 1 11 . 1 1 9 9 ASP H H 9 9.301 9.301 8.638 0.663 25104 9136 1 11 . 1 1 10 10 ILE N N 10 124.286 124.286 124.242 0.044 25104 9137 1 11 . 1 1 10 10 ILE HA H 10 5.213 5.213 4.194 1.019 25104 9138 1 11 . 1 1 10 10 ILE C C 10 177.031 177.031 174.593 2.438 25104 9139 1 11 . 1 1 10 10 ILE CA C 10 58.233 58.233 59.229 -0.996 25104 9140 1 11 . 1 1 10 10 ILE CB C 10 37.769 37.769 36.728 1.041 25104 9141 1 11 . 1 1 10 10 ILE H H 10 9.059 9.059 8.311 0.748 25104 9142 1 11 . 1 1 11 11 ALA N N 11 132.503 132.503 131.573 0.930 25104 9143 1 11 . 1 1 11 11 ALA HA H 11 5.216 5.216 4.958 0.258 25104 9144 1 11 . 1 1 11 11 ALA C C 11 175.928 175.928 175.629 0.299 25104 9145 1 11 . 1 1 11 11 ALA CA C 11 50.948 50.948 50.145 0.803 25104 9146 1 11 . 1 1 11 11 ALA CB C 11 22.804 22.804 21.981 0.823 25104 9147 1 11 . 1 1 11 11 ALA H H 11 9.642 9.642 8.924 0.718 25104 9148 1 11 . 1 1 12 12 VAL N N 12 118.551 118.551 123.157 -4.606 25104 9149 1 11 . 1 1 12 12 VAL HA H 12 4.578 4.578 4.082 0.496 25104 9150 1 11 . 1 1 12 12 VAL C C 12 177.347 177.347 175.747 1.600 25104 9151 1 11 . 1 1 12 12 VAL CA C 12 60.457 60.457 61.799 -1.342 25104 9152 1 11 . 1 1 12 12 VAL CB C 12 33.301 33.301 31.876 1.425 25104 9153 1 11 . 1 1 12 12 VAL H H 12 8.984 8.984 8.295 0.689 25104 9154 1 11 . 1 1 13 13 ASP N N 13 131.009 131.009 127.688 3.321 25104 9155 1 11 . 1 1 13 13 ASP HA H 13 4.359 4.359 4.258 0.101 25104 9156 1 11 . 1 1 13 13 ASP C C 13 176.795 176.795 176.544 0.251 25104 9157 1 11 . 1 1 13 13 ASP CA C 13 55.880 55.880 55.552 0.328 25104 9158 1 11 . 1 1 13 13 ASP CB C 13 39.999 39.999 39.624 0.375 25104 9159 1 11 . 1 1 13 13 ASP H H 13 9.868 9.868 8.799 1.069 25104 9160 1 11 . 1 1 14 14 GLY N N 14 101.848 101.848 104.837 -2.989 25104 9161 1 11 . 1 1 14 14 GLY C C 14 174.700 174.700 174.402 0.298 25104 9162 1 11 . 1 1 14 14 GLY CA C 14 45.303 45.303 45.114 0.189 25104 9163 1 11 . 1 1 14 14 GLY H H 14 8.578 8.578 7.946 0.632 25104 9164 1 11 . 1 1 15 15 GLU N N 15 123.331 123.331 122.875 0.456 25104 9165 1 11 . 1 1 15 15 GLU HA H 15 4.891 4.891 4.800 0.091 25104 9166 1 11 . 1 1 15 15 GLU CA C 15 52.932 52.932 53.105 -0.173 25104 9167 1 11 . 1 1 15 15 GLU CB C 15 30.468 30.468 29.674 0.794 25104 9168 1 11 . 1 1 15 15 GLU H H 15 8.086 8.086 7.809 0.277 25104 9169 1 11 . 1 1 16 16 PRO HA H 16 4.240 4.240 4.433 -0.193 25104 9170 1 11 . 1 1 16 16 PRO C C 16 177.072 177.072 176.007 1.065 25104 9171 1 11 . 1 1 16 16 PRO CA C 16 64.838 64.838 63.640 1.198 25104 9172 1 11 . 1 1 16 16 PRO CB C 16 32.368 32.368 31.785 0.583 25104 9173 1 11 . 1 1 17 17 LEU N N 17 126.051 126.051 127.344 -1.293 25104 9174 1 11 . 1 1 17 17 LEU HA H 17 4.739 4.739 4.248 0.491 25104 9175 1 11 . 1 1 17 17 LEU C C 17 176.975 176.975 176.791 0.184 25104 9176 1 11 . 1 1 17 17 LEU CA C 17 55.511 55.511 55.742 -0.231 25104 9177 1 11 . 1 1 17 17 LEU CB C 17 44.257 44.257 42.992 1.265 25104 9178 1 11 . 1 1 17 17 LEU H H 17 9.237 9.237 8.496 0.741 25104 9179 1 11 . 1 1 18 18 GLY N N 18 102.496 102.496 104.736 -2.240 25104 9180 1 11 . 1 1 18 18 GLY C C 18 170.997 170.997 171.776 -0.779 25104 9181 1 11 . 1 1 18 18 GLY CA C 18 44.713 44.713 45.117 -0.404 25104 9182 1 11 . 1 1 18 18 GLY H H 18 7.303 7.303 7.680 -0.377 25104 9183 1 11 . 1 1 19 19 ARG N N 19 121.330 121.330 118.786 2.544 25104 9184 1 11 . 1 1 19 19 ARG HA H 19 5.665 5.665 4.736 0.929 25104 9185 1 11 . 1 1 19 19 ARG C C 19 176.011 176.011 174.448 1.563 25104 9186 1 11 . 1 1 19 19 ARG CA C 19 55.106 55.106 55.193 -0.087 25104 9187 1 11 . 1 1 19 19 ARG CB C 19 33.587 33.587 33.684 -0.097 25104 9188 1 11 . 1 1 19 19 ARG H H 19 8.348 8.348 8.311 0.037 25104 9189 1 11 . 1 1 20 20 VAL N N 20 126.859 126.859 121.494 5.365 25104 9190 1 11 . 1 1 20 20 VAL HA H 20 4.650 4.650 4.413 0.237 25104 9191 1 11 . 1 1 20 20 VAL C C 20 174.836 174.836 173.911 0.925 25104 9192 1 11 . 1 1 20 20 VAL CA C 20 59.966 59.966 60.633 -0.667 25104 9193 1 11 . 1 1 20 20 VAL CB C 20 35.034 35.034 35.140 -0.106 25104 9194 1 11 . 1 1 20 20 VAL H H 20 9.400 9.400 8.267 1.133 25104 9195 1 11 . 1 1 21 21 SER N N 21 120.319 120.319 120.554 -0.235 25104 9196 1 11 . 1 1 21 21 SER HA H 21 5.565 5.565 5.387 0.178 25104 9197 1 11 . 1 1 21 21 SER C C 21 174.694 174.694 173.619 1.075 25104 9198 1 11 . 1 1 21 21 SER CA C 21 55.462 55.462 55.991 -0.529 25104 9199 1 11 . 1 1 21 21 SER CB C 21 66.546 66.546 64.315 2.231 25104 9200 1 11 . 1 1 21 21 SER H H 21 8.791 8.791 8.237 0.554 25104 9201 1 11 . 1 1 22 22 PHE N N 22 119.239 119.239 125.810 -6.571 25104 9202 1 11 . 1 1 22 22 PHE HA H 22 5.279 5.279 5.166 0.113 25104 9203 1 11 . 1 1 22 22 PHE C C 22 176.190 176.190 175.467 0.723 25104 9204 1 11 . 1 1 22 22 PHE CA C 22 55.882 55.882 56.191 -0.309 25104 9205 1 11 . 1 1 22 22 PHE CB C 22 42.673 42.673 42.062 0.611 25104 9206 1 11 . 1 1 22 22 PHE H H 22 9.553 9.553 8.988 0.565 25104 9207 1 11 . 1 1 23 23 GLU N N 23 123.308 123.308 120.491 2.817 25104 9208 1 11 . 1 1 23 23 GLU HA H 23 4.797 4.797 4.568 0.229 25104 9209 1 11 . 1 1 23 23 GLU C C 23 175.673 175.673 174.908 0.765 25104 9210 1 11 . 1 1 23 23 GLU CA C 23 55.119 55.119 55.175 -0.056 25104 9211 1 11 . 1 1 23 23 GLU CB C 23 32.058 32.058 32.059 -0.000 25104 9212 1 11 . 1 1 23 23 GLU H H 23 8.791 8.791 8.621 0.170 25104 9213 1 11 . 1 1 24 24 LEU N N 24 122.539 122.539 126.782 -4.243 25104 9214 1 11 . 1 1 24 24 LEU HA H 24 4.749 4.749 4.841 -0.092 25104 9215 1 11 . 1 1 24 24 LEU C C 24 178.229 178.229 176.900 1.329 25104 9216 1 11 . 1 1 24 24 LEU CA C 24 51.899 51.899 53.797 -1.898 25104 9217 1 11 . 1 1 24 24 LEU CB C 24 43.248 43.248 42.734 0.514 25104 9218 1 11 . 1 1 24 24 LEU H H 24 8.198 8.198 8.663 -0.465 25104 9219 1 11 . 1 1 25 25 PHE N N 25 124.715 124.715 123.043 1.672 25104 9220 1 11 . 1 1 25 25 PHE HA H 25 5.171 5.171 4.769 0.402 25104 9221 1 11 . 1 1 25 25 PHE C C 25 177.485 177.485 175.614 1.871 25104 9222 1 11 . 1 1 25 25 PHE CA C 25 54.699 54.699 57.110 -2.411 25104 9223 1 11 . 1 1 25 25 PHE CB C 25 36.100 36.100 36.539 -0.439 25104 9224 1 11 . 1 1 25 25 PHE H H 25 8.864 8.864 9.185 -0.321 25104 9225 1 11 . 1 1 26 26 ALA N N 26 128.663 128.663 124.962 3.701 25104 9226 1 11 . 1 1 26 26 ALA HA H 26 3.838 3.838 4.169 -0.331 25104 9227 1 11 . 1 1 26 26 ALA C C 26 177.291 177.291 178.257 -0.966 25104 9228 1 11 . 1 1 26 26 ALA CA C 26 54.316 54.316 54.697 -0.381 25104 9229 1 11 . 1 1 26 26 ALA CB C 26 19.002 19.002 18.937 0.065 25104 9230 1 11 . 1 1 26 26 ALA H H 26 8.480 8.480 7.745 0.735 25104 9231 1 11 . 1 1 27 27 ASP N N 27 114.191 114.191 116.294 -2.103 25104 9232 1 11 . 1 1 27 27 ASP HA H 27 4.197 4.197 4.455 -0.258 25104 9233 1 11 . 1 1 27 27 ASP C C 27 177.976 177.976 177.196 0.780 25104 9234 1 11 . 1 1 27 27 ASP CA C 27 55.410 55.410 56.176 -0.766 25104 9235 1 11 . 1 1 27 27 ASP CB C 27 38.821 38.821 40.173 -1.352 25104 9236 1 11 . 1 1 27 27 ASP H H 27 9.145 9.145 8.600 0.545 25104 9237 1 11 . 1 1 28 28 LYS N N 28 118.107 118.107 118.205 -0.098 25104 9238 1 11 . 1 1 28 28 LYS HA H 28 4.599 4.599 4.468 0.131 25104 9239 1 11 . 1 1 28 28 LYS C C 28 177.840 177.840 177.300 0.540 25104 9240 1 11 . 1 1 28 28 LYS CA C 28 56.262 56.262 57.526 -1.264 25104 9241 1 11 . 1 1 28 28 LYS CB C 28 36.006 36.006 34.924 1.082 25104 9242 1 11 . 1 1 28 28 LYS H H 28 7.569 7.569 7.681 -0.112 25104 9243 1 11 . 1 1 29 29 VAL N N 29 114.551 114.551 114.617 -0.066 25104 9244 1 11 . 1 1 29 29 VAL HA H 29 4.487 4.487 4.823 -0.336 25104 9245 1 11 . 1 1 29 29 VAL CA C 29 58.309 58.309 58.336 -0.027 25104 9246 1 11 . 1 1 29 29 VAL CB C 29 32.078 32.078 31.513 0.565 25104 9247 1 11 . 1 1 29 29 VAL H H 29 8.364 8.364 7.913 0.451 25104 9248 1 11 . 1 1 30 30 PRO HA H 30 4.450 4.450 4.410 0.040 25104 9249 1 11 . 1 1 30 30 PRO C C 30 181.892 181.892 178.882 3.010 25104 9250 1 11 . 1 1 30 30 PRO CA C 30 66.227 66.227 65.777 0.450 25104 9251 1 11 . 1 1 30 30 PRO CB C 30 31.547 31.547 32.039 -0.492 25104 9252 1 11 . 1 1 31 31 LYS N N 31 123.785 123.785 119.503 4.282 25104 9253 1 11 . 1 1 31 31 LYS HA H 31 4.105 4.105 4.006 0.099 25104 9254 1 11 . 1 1 31 31 LYS C C 31 182.749 182.749 178.566 4.183 25104 9255 1 11 . 1 1 31 31 LYS CA C 31 61.057 61.057 59.995 1.062 25104 9256 1 11 . 1 1 31 31 LYS CB C 31 32.468 32.468 32.237 0.231 25104 9257 1 11 . 1 1 31 31 LYS H H 31 10.684 10.684 8.007 2.677 25104 9258 1 11 . 1 1 32 32 THR N N 32 124.002 124.002 113.698 10.304 25104 9259 1 11 . 1 1 32 32 THR HA H 32 4.034 4.034 4.284 -0.250 25104 9260 1 11 . 1 1 32 32 THR C C 32 178.673 178.673 176.078 2.595 25104 9261 1 11 . 1 1 32 32 THR CA C 32 67.526 67.526 66.249 1.277 25104 9262 1 11 . 1 1 32 32 THR CB C 32 68.705 68.705 68.597 0.108 25104 9263 1 11 . 1 1 32 32 THR H H 32 10.320 10.320 8.192 2.128 25104 9264 1 11 . 1 1 33 33 ALA N N 33 125.616 125.616 123.476 2.140 25104 9265 1 11 . 1 1 33 33 ALA HA H 33 4.092 4.092 4.393 -0.301 25104 9266 1 11 . 1 1 33 33 ALA C C 33 179.174 179.174 178.792 0.382 25104 9267 1 11 . 1 1 33 33 ALA CA C 33 55.972 55.972 54.963 1.009 25104 9268 1 11 . 1 1 33 33 ALA CB C 33 18.414 18.414 18.337 0.077 25104 9269 1 11 . 1 1 33 33 ALA H H 33 9.311 9.311 8.052 1.259 25104 9270 1 11 . 1 1 34 34 GLU N N 34 117.376 117.376 119.290 -1.914 25104 9271 1 11 . 1 1 34 34 GLU HA H 34 4.556 4.556 3.950 0.606 25104 9272 1 11 . 1 1 34 34 GLU C C 34 178.418 178.418 178.602 -0.184 25104 9273 1 11 . 1 1 34 34 GLU CA C 34 58.238 58.238 59.427 -1.189 25104 9274 1 11 . 1 1 34 34 GLU CB C 34 28.181 28.181 29.625 -1.444 25104 9275 1 11 . 1 1 34 34 GLU H H 34 8.069 8.069 7.989 0.080 25104 9276 1 11 . 1 1 35 35 ASN N N 35 115.722 115.722 118.637 -2.915 25104 9277 1 11 . 1 1 35 35 ASN HA H 35 4.108 4.108 4.406 -0.298 25104 9278 1 11 . 1 1 35 35 ASN C C 35 175.568 175.568 177.071 -1.503 25104 9279 1 11 . 1 1 35 35 ASN CA C 35 56.768 56.768 56.175 0.593 25104 9280 1 11 . 1 1 35 35 ASN CB C 35 39.644 39.644 38.274 1.370 25104 9281 1 11 . 1 1 35 35 ASN H H 35 7.193 7.193 7.852 -0.659 25104 9282 1 11 . 1 1 36 36 PHE N N 36 117.929 117.929 120.321 -2.392 25104 9283 1 11 . 1 1 36 36 PHE HA H 36 4.158 4.158 4.097 0.061 25104 9284 1 11 . 1 1 36 36 PHE C C 36 179.707 179.707 177.609 2.098 25104 9285 1 11 . 1 1 36 36 PHE CA C 36 61.589 61.589 61.082 0.507 25104 9286 1 11 . 1 1 36 36 PHE CB C 36 39.948 39.948 39.128 0.820 25104 9287 1 11 . 1 1 36 36 PHE H H 36 7.065 7.065 7.337 -0.272 25104 9288 1 11 . 1 1 37 37 ARG N N 37 121.048 121.048 120.225 0.823 25104 9289 1 11 . 1 1 37 37 ARG HA H 37 3.685 3.685 3.882 -0.197 25104 9290 1 11 . 1 1 37 37 ARG C C 37 179.000 179.000 178.051 0.949 25104 9291 1 11 . 1 1 37 37 ARG CA C 37 60.515 60.515 59.804 0.711 25104 9292 1 11 . 1 1 37 37 ARG CB C 37 29.880 29.880 30.280 -0.400 25104 9293 1 11 . 1 1 37 37 ARG H H 37 8.975 8.975 8.114 0.861 25104 9294 1 11 . 1 1 38 38 ALA N N 38 119.232 119.232 121.359 -2.127 25104 9295 1 11 . 1 1 38 38 ALA HA H 38 4.126 4.126 4.664 -0.538 25104 9296 1 11 . 1 1 38 38 ALA C C 38 183.365 183.365 179.847 3.518 25104 9297 1 11 . 1 1 38 38 ALA CA C 38 54.477 54.477 53.868 0.609 25104 9298 1 11 . 1 1 38 38 ALA CB C 38 18.405 18.405 18.755 -0.350 25104 9299 1 11 . 1 1 38 38 ALA H H 38 8.741 8.741 8.023 0.718 25104 9300 1 11 . 1 1 39 39 LEU N N 39 120.723 120.723 119.439 1.284 25104 9301 1 11 . 1 1 39 39 LEU HA H 39 3.800 3.800 4.192 -0.392 25104 9302 1 11 . 1 1 39 39 LEU C C 39 180.481 180.481 178.981 1.500 25104 9303 1 11 . 1 1 39 39 LEU CA C 39 57.268 57.268 58.027 -0.759 25104 9304 1 11 . 1 1 39 39 LEU CB C 39 41.218 41.218 41.629 -0.411 25104 9305 1 11 . 1 1 39 39 LEU H H 39 8.212 8.212 8.418 -0.206 25104 9306 1 11 . 1 1 40 40 SER N N 40 119.210 119.210 114.442 4.768 25104 9307 1 11 . 1 1 40 40 SER HA H 40 4.341 4.341 4.237 0.104 25104 9308 1 11 . 1 1 40 40 SER C C 40 175.380 175.380 176.595 -1.215 25104 9309 1 11 . 1 1 40 40 SER CA C 40 62.924 62.924 61.191 1.734 25104 9310 1 11 . 1 1 40 40 SER CB C 40 62.992 62.992 63.056 -0.064 25104 9311 1 11 . 1 1 40 40 SER H H 40 7.938 7.938 8.009 -0.071 25104 9312 1 11 . 1 1 41 41 THR N N 41 108.556 108.556 112.883 -4.327 25104 9313 1 11 . 1 1 41 41 THR HA H 41 4.508 4.508 4.195 0.313 25104 9314 1 11 . 1 1 41 41 THR C C 41 179.088 179.088 176.104 2.984 25104 9315 1 11 . 1 1 41 41 THR CA C 41 62.492 62.492 63.979 -1.487 25104 9316 1 11 . 1 1 41 41 THR CB C 41 69.663 69.663 69.168 0.495 25104 9317 1 11 . 1 1 41 41 THR H H 41 8.017 8.017 7.956 0.061 25104 9318 1 11 . 1 1 42 42 GLY N N 42 108.433 108.433 109.894 -1.461 25104 9319 1 11 . 1 1 42 42 GLY C C 42 178.676 178.676 176.117 2.559 25104 9320 1 11 . 1 1 42 42 GLY CA C 42 45.840 45.840 45.450 0.390 25104 9321 1 11 . 1 1 42 42 GLY H H 42 7.621 7.621 7.811 -0.190 25104 9322 1 11 . 1 1 43 43 GLU N N 43 118.777 118.777 120.689 -1.912 25104 9323 1 11 . 1 1 43 43 GLU HA H 43 4.171 4.171 4.122 0.049 25104 9324 1 11 . 1 1 43 43 GLU C C 43 177.458 177.458 177.629 -0.171 25104 9325 1 11 . 1 1 43 43 GLU CA C 43 58.580 58.580 58.031 0.549 25104 9326 1 11 . 1 1 43 43 GLU H H 43 8.049 8.049 8.162 -0.113 25104 9327 1 11 . 1 1 44 44 LYS N N 44 118.526 118.526 115.955 2.571 25104 9328 1 11 . 1 1 44 44 LYS HA H 44 4.342 4.342 4.337 0.005 25104 9329 1 11 . 1 1 44 44 LYS C C 44 177.590 177.590 176.668 0.922 25104 9330 1 11 . 1 1 44 44 LYS CA C 44 54.405 54.405 54.833 -0.428 25104 9331 1 11 . 1 1 44 44 LYS CB C 44 30.488 30.488 32.449 -1.961 25104 9332 1 11 . 1 1 44 44 LYS H H 44 9.123 9.123 7.367 1.756 25104 9333 1 11 . 1 1 45 45 GLY N N 45 105.553 105.553 108.321 -2.768 25104 9334 1 11 . 1 1 45 45 GLY C C 45 173.518 173.518 174.310 -0.792 25104 9335 1 11 . 1 1 45 45 GLY CA C 45 44.612 44.612 45.711 -1.099 25104 9336 1 11 . 1 1 45 45 GLY H H 45 7.970 7.970 7.733 0.237 25104 9337 1 11 . 1 1 46 46 PHE N N 46 113.753 113.753 118.898 -5.145 25104 9338 1 11 . 1 1 46 46 PHE HA H 46 4.678 4.678 4.588 0.090 25104 9339 1 11 . 1 1 46 46 PHE C C 46 173.684 173.684 176.265 -2.581 25104 9340 1 11 . 1 1 46 46 PHE CA C 46 54.077 54.077 56.962 -2.885 25104 9341 1 11 . 1 1 46 46 PHE CB C 46 39.658 39.658 39.908 -0.250 25104 9342 1 11 . 1 1 46 46 PHE H H 46 6.469 6.469 7.761 -1.292 25104 9343 1 11 . 1 1 47 47 GLY N N 47 104.722 104.722 108.672 -3.950 25104 9344 1 11 . 1 1 47 47 GLY C C 47 172.446 172.446 174.499 -2.053 25104 9345 1 11 . 1 1 47 47 GLY CA C 47 45.601 45.601 45.626 -0.025 25104 9346 1 11 . 1 1 47 47 GLY H H 47 7.756 7.756 8.021 -0.265 25104 9347 1 11 . 1 1 48 48 TYR N N 48 113.796 113.796 120.420 -6.624 25104 9348 1 11 . 1 1 48 48 TYR HA H 48 4.270 4.270 4.082 0.188 25104 9349 1 11 . 1 1 48 48 TYR C C 48 178.924 178.924 175.304 3.620 25104 9350 1 11 . 1 1 48 48 TYR CA C 48 57.365 57.365 59.273 -1.908 25104 9351 1 11 . 1 1 48 48 TYR CB C 48 38.832 38.832 37.592 1.240 25104 9352 1 11 . 1 1 48 48 TYR H H 48 6.948 6.948 8.220 -1.272 25104 9353 1 11 . 1 1 49 49 LYS N N 49 124.858 124.858 124.135 0.723 25104 9354 1 11 . 1 1 49 49 LYS HA H 49 3.655 3.655 4.319 -0.664 25104 9355 1 11 . 1 1 49 49 LYS C C 49 178.388 178.388 176.768 1.620 25104 9356 1 11 . 1 1 49 49 LYS CA C 49 61.018 61.018 54.824 6.194 25104 9357 1 11 . 1 1 49 49 LYS CB C 49 31.484 31.484 34.140 -2.656 25104 9358 1 11 . 1 1 49 49 LYS H H 49 8.493 8.493 7.662 0.831 25104 9359 1 11 . 1 1 50 50 GLY N N 50 117.833 117.833 114.839 2.994 25104 9360 1 11 . 1 1 50 50 GLY C C 50 175.259 175.259 174.663 0.596 25104 9361 1 11 . 1 1 50 50 GLY CA C 50 45.495 45.495 45.514 -0.019 25104 9362 1 11 . 1 1 50 50 GLY H H 50 9.509 9.509 8.558 0.951 25104 9363 1 11 . 1 1 51 51 SER N N 51 116.413 116.413 114.935 1.478 25104 9364 1 11 . 1 1 51 51 SER HA H 51 4.516 4.516 4.361 0.155 25104 9365 1 11 . 1 1 51 51 SER C C 51 172.808 172.808 174.587 -1.779 25104 9366 1 11 . 1 1 51 51 SER CA C 51 59.043 59.043 59.229 -0.186 25104 9367 1 11 . 1 1 51 51 SER CB C 51 63.781 63.781 63.430 0.351 25104 9368 1 11 . 1 1 51 51 SER H H 51 8.436 8.436 7.972 0.464 25104 9369 1 11 . 1 1 52 52 CYS N N 52 115.156 115.156 123.864 -8.708 25104 9370 1 11 . 1 1 52 52 CYS HA H 52 5.932 5.932 5.460 0.472 25104 9371 1 11 . 1 1 52 52 CYS C C 52 177.437 177.437 175.013 2.424 25104 9372 1 11 . 1 1 52 52 CYS CA C 52 55.998 55.998 56.138 -0.140 25104 9373 1 11 . 1 1 52 52 CYS CB C 52 31.953 31.953 29.430 2.523 25104 9374 1 11 . 1 1 52 52 CYS H H 52 9.875 9.875 8.447 1.428 25104 9375 1 11 . 1 1 53 53 PHE N N 53 123.068 123.068 125.502 -2.434 25104 9376 1 11 . 1 1 53 53 PHE HA H 53 4.899 4.899 4.531 0.368 25104 9377 1 11 . 1 1 53 53 PHE C C 53 175.886 175.886 176.304 -0.418 25104 9378 1 11 . 1 1 53 53 PHE CA C 53 58.389 58.389 58.843 -0.454 25104 9379 1 11 . 1 1 53 53 PHE CB C 53 39.535 39.535 38.230 1.305 25104 9380 1 11 . 1 1 53 53 PHE H H 53 8.732 8.732 9.497 -0.765 25104 9381 1 11 . 1 1 54 54 HIS N N 54 120.227 120.227 120.142 0.085 25104 9382 1 11 . 1 1 54 54 HIS HA H 54 4.763 4.763 4.957 -0.194 25104 9383 1 11 . 1 1 54 54 HIS C C 54 176.409 176.409 174.647 1.762 25104 9384 1 11 . 1 1 54 54 HIS CA C 54 57.323 57.323 55.384 1.939 25104 9385 1 11 . 1 1 54 54 HIS CB C 54 31.542 31.542 32.053 -0.511 25104 9386 1 11 . 1 1 54 54 HIS H H 54 7.696 7.696 7.977 -0.281 25104 9387 1 11 . 1 1 55 55 ARG N N 55 123.202 123.202 121.294 1.908 25104 9388 1 11 . 1 1 55 55 ARG HA H 55 5.118 5.118 5.307 -0.189 25104 9389 1 11 . 1 1 55 55 ARG C C 55 174.511 174.511 173.670 0.841 25104 9390 1 11 . 1 1 55 55 ARG CA C 55 54.913 54.913 55.078 -0.165 25104 9391 1 11 . 1 1 55 55 ARG CB C 55 33.805 33.805 32.158 1.647 25104 9392 1 11 . 1 1 55 55 ARG H H 55 7.089 7.089 7.049 0.040 25104 9393 1 11 . 1 1 56 56 ILE N N 56 126.621 126.621 126.874 -0.253 25104 9394 1 11 . 1 1 56 56 ILE HA H 56 4.659 4.659 4.881 -0.222 25104 9395 1 11 . 1 1 56 56 ILE C C 56 174.633 174.633 174.153 0.480 25104 9396 1 11 . 1 1 56 56 ILE CA C 56 61.585 61.585 60.245 1.340 25104 9397 1 11 . 1 1 56 56 ILE CB C 56 41.452 41.452 42.085 -0.633 25104 9398 1 11 . 1 1 56 56 ILE H H 56 9.201 9.201 8.700 0.501 25104 9399 1 11 . 1 1 57 57 ILE N N 57 127.965 127.965 126.903 1.062 25104 9400 1 11 . 1 1 57 57 ILE HA H 57 5.248 5.248 5.074 0.174 25104 9401 1 11 . 1 1 57 57 ILE CA C 57 57.685 57.685 57.754 -0.069 25104 9402 1 11 . 1 1 57 57 ILE CB C 57 40.236 40.236 40.182 0.054 25104 9403 1 11 . 1 1 57 57 ILE H H 57 8.753 8.753 8.761 -0.008 25104 9404 1 11 . 1 1 58 58 PRO HA H 58 4.382 4.382 4.274 0.108 25104 9405 1 11 . 1 1 58 58 PRO C C 58 178.669 178.669 177.737 0.932 25104 9406 1 11 . 1 1 58 58 PRO CA C 58 63.086 63.086 63.407 -0.321 25104 9407 1 11 . 1 1 58 58 PRO CB C 58 31.996 31.996 31.522 0.474 25104 9408 1 11 . 1 1 59 59 GLY N N 59 114.176 114.176 112.505 1.671 25104 9409 1 11 . 1 1 59 59 GLY C C 59 173.281 173.281 173.477 -0.196 25104 9410 1 11 . 1 1 59 59 GLY CA C 59 45.259 45.259 45.897 -0.638 25104 9411 1 11 . 1 1 59 59 GLY H H 59 9.752 9.752 8.624 1.128 25104 9412 1 11 . 1 1 60 60 PHE N N 60 119.241 119.241 118.633 0.608 25104 9413 1 11 . 1 1 60 60 PHE HA H 60 5.153 5.153 5.081 0.072 25104 9414 1 11 . 1 1 60 60 PHE C C 60 174.401 174.401 173.294 1.107 25104 9415 1 11 . 1 1 60 60 PHE CA C 60 56.867 56.867 58.046 -1.179 25104 9416 1 11 . 1 1 60 60 PHE CB C 60 39.954 39.954 40.935 -0.981 25104 9417 1 11 . 1 1 60 60 PHE H H 60 8.196 8.196 7.992 0.204 25104 9418 1 11 . 1 1 61 61 MET N N 61 111.262 111.262 116.921 -5.659 25104 9419 1 11 . 1 1 61 61 MET HA H 61 5.369 5.369 5.013 0.356 25104 9420 1 11 . 1 1 61 61 MET C C 61 175.163 175.163 173.306 1.857 25104 9421 1 11 . 1 1 61 61 MET CA C 61 55.062 55.062 54.802 0.260 25104 9422 1 11 . 1 1 61 61 MET CB C 61 35.010 35.010 36.443 -1.433 25104 9423 1 11 . 1 1 61 61 MET H H 61 8.128 8.128 8.073 0.055 25104 9424 1 11 . 1 1 62 62 CYS N N 62 114.848 114.848 123.595 -8.747 25104 9425 1 11 . 1 1 62 62 CYS HA H 62 4.941 4.941 4.891 0.050 25104 9426 1 11 . 1 1 62 62 CYS C C 62 174.075 174.075 173.482 0.593 25104 9427 1 11 . 1 1 62 62 CYS CA C 62 57.485 57.485 56.784 0.701 25104 9428 1 11 . 1 1 62 62 CYS CB C 62 30.392 30.392 28.661 1.731 25104 9429 1 11 . 1 1 62 62 CYS H H 62 8.501 8.501 8.700 -0.199 25104 9430 1 11 . 1 1 63 63 GLN N N 63 126.854 126.854 125.017 1.837 25104 9431 1 11 . 1 1 63 63 GLN HA H 63 5.410 5.410 5.212 0.198 25104 9432 1 11 . 1 1 63 63 GLN C C 63 175.024 175.024 174.104 0.920 25104 9433 1 11 . 1 1 63 63 GLN CA C 63 54.691 54.691 53.419 1.272 25104 9434 1 11 . 1 1 63 63 GLN CB C 63 30.529 30.529 31.973 -1.444 25104 9435 1 11 . 1 1 63 63 GLN H H 63 9.671 9.671 8.884 0.787 25104 9436 1 11 . 1 1 64 64 GLY N N 64 110.745 110.745 108.484 2.261 25104 9437 1 11 . 1 1 64 64 GLY C C 64 174.113 174.113 172.538 1.575 25104 9438 1 11 . 1 1 64 64 GLY CA C 64 44.788 44.788 42.430 2.358 25104 9439 1 11 . 1 1 64 64 GLY H H 64 7.401 7.401 7.774 -0.373 25104 9440 1 11 . 1 1 65 65 GLY N N 65 105.815 105.815 106.647 -0.832 25104 9441 1 11 . 1 1 65 65 GLY C C 65 176.175 176.175 173.452 2.723 25104 9442 1 11 . 1 1 65 65 GLY CA C 65 46.659 46.659 45.027 1.632 25104 9443 1 11 . 1 1 65 65 GLY H H 65 9.265 9.265 7.667 1.598 25104 9444 1 11 . 1 1 66 66 ASP N N 66 123.911 123.911 121.343 2.568 25104 9445 1 11 . 1 1 66 66 ASP HA H 66 4.337 4.337 4.825 -0.488 25104 9446 1 11 . 1 1 66 66 ASP C C 66 177.105 177.105 175.068 2.037 25104 9447 1 11 . 1 1 66 66 ASP CA C 66 51.592 51.592 52.865 -1.273 25104 9448 1 11 . 1 1 66 66 ASP CB C 66 38.926 38.926 40.954 -2.028 25104 9449 1 11 . 1 1 66 66 ASP H H 66 9.950 9.950 8.237 1.713 25104 9450 1 11 . 1 1 67 67 PHE N N 67 116.285 116.285 120.071 -3.786 25104 9451 1 11 . 1 1 67 67 PHE HA H 67 4.655 4.655 4.728 -0.073 25104 9452 1 11 . 1 1 67 67 PHE C C 67 175.240 175.240 175.234 0.006 25104 9453 1 11 . 1 1 67 67 PHE CA C 67 55.683 55.683 59.479 -3.796 25104 9454 1 11 . 1 1 67 67 PHE CB C 67 39.480 39.480 41.219 -1.739 25104 9455 1 11 . 1 1 67 67 PHE H H 67 6.660 6.660 8.046 -1.386 25104 9456 1 11 . 1 1 68 68 THR N N 68 109.280 109.280 116.739 -7.459 25104 9457 1 11 . 1 1 68 68 THR HA H 68 4.692 4.692 4.104 0.588 25104 9458 1 11 . 1 1 68 68 THR C C 68 176.514 176.514 173.784 2.730 25104 9459 1 11 . 1 1 68 68 THR CA C 68 61.962 61.962 63.153 -1.191 25104 9460 1 11 . 1 1 68 68 THR CB C 68 68.922 68.922 68.736 0.186 25104 9461 1 11 . 1 1 68 68 THR H H 68 7.400 7.400 8.392 -0.992 25104 9462 1 11 . 1 1 69 69 ARG N N 69 122.125 122.125 124.989 -2.864 25104 9463 1 11 . 1 1 69 69 ARG HA H 69 4.421 4.421 3.696 0.725 25104 9464 1 11 . 1 1 69 69 ARG CA C 69 55.265 55.265 56.589 -1.323 25104 9465 1 11 . 1 1 69 69 ARG CB C 69 31.727 31.727 28.894 2.833 25104 9466 1 11 . 1 1 69 69 ARG H H 69 8.719 8.719 8.995 -0.276 25104 9467 1 11 . 1 1 70 70 HIS N N 70 111.574 111.574 118.926 -7.352 25104 9468 1 11 . 1 1 70 70 HIS HA H 70 4.451 4.451 4.534 -0.083 25104 9469 1 11 . 1 1 70 70 HIS C C 70 175.306 175.306 174.139 1.167 25104 9470 1 11 . 1 1 70 70 HIS CA C 70 57.193 57.193 55.232 1.961 25104 9471 1 11 . 1 1 70 70 HIS CB C 70 28.587 28.587 27.994 0.593 25104 9472 1 11 . 1 1 70 70 HIS H H 70 6.865 6.865 7.930 -1.065 25104 9473 1 11 . 1 1 71 71 ASN N N 71 112.710 112.710 122.707 -9.997 25104 9474 1 11 . 1 1 71 71 ASN HA H 71 4.673 4.673 4.789 -0.116 25104 9475 1 11 . 1 1 71 71 ASN C C 71 176.752 176.752 174.842 1.910 25104 9476 1 11 . 1 1 71 71 ASN CA C 71 52.366 52.366 52.903 -0.537 25104 9477 1 11 . 1 1 71 71 ASN CB C 71 39.036 39.036 39.495 -0.459 25104 9478 1 11 . 1 1 71 71 ASN H H 71 7.594 7.594 7.804 -0.210 25104 9479 1 11 . 1 1 72 72 GLY N N 72 110.452 110.452 110.822 -0.370 25104 9480 1 11 . 1 1 72 72 GLY C C 72 176.669 176.669 173.468 3.201 25104 9481 1 11 . 1 1 72 72 GLY CA C 72 44.887 44.887 45.991 -1.104 25104 9482 1 11 . 1 1 72 72 GLY H H 72 9.642 9.642 8.912 0.730 25104 9483 1 11 . 1 1 73 73 THR N N 73 112.024 112.024 113.858 -1.834 25104 9484 1 11 . 1 1 73 73 THR HA H 73 4.541 4.541 4.357 0.184 25104 9485 1 11 . 1 1 73 73 THR C C 73 176.905 176.905 173.761 3.144 25104 9486 1 11 . 1 1 73 73 THR CA C 73 62.235 62.235 62.358 -0.123 25104 9487 1 11 . 1 1 73 73 THR CB C 73 70.677 70.677 71.072 -0.395 25104 9488 1 11 . 1 1 73 73 THR H H 73 7.967 7.967 7.632 0.335 25104 9489 1 11 . 1 1 74 74 GLY N N 74 113.872 113.872 111.041 2.831 25104 9490 1 11 . 1 1 74 74 GLY C C 74 176.149 176.149 174.282 1.867 25104 9491 1 11 . 1 1 74 74 GLY CA C 74 45.126 45.126 46.386 -1.260 25104 9492 1 11 . 1 1 74 74 GLY H H 74 8.711 8.711 8.341 0.370 25104 9493 1 11 . 1 1 75 75 GLY N N 75 109.032 109.032 105.364 3.668 25104 9494 1 11 . 1 1 75 75 GLY C C 75 173.012 173.012 173.533 -0.521 25104 9495 1 11 . 1 1 75 75 GLY CA C 75 43.371 43.371 44.589 -1.218 25104 9496 1 11 . 1 1 75 75 GLY H H 75 8.117 8.117 8.030 0.087 25104 9497 1 11 . 1 1 76 76 LYS N N 76 115.705 115.705 120.864 -5.159 25104 9498 1 11 . 1 1 76 76 LYS HA H 76 4.623 4.623 4.322 0.301 25104 9499 1 11 . 1 1 76 76 LYS C C 76 173.512 173.512 176.607 -3.095 25104 9500 1 11 . 1 1 76 76 LYS CA C 76 55.975 55.975 56.803 -0.828 25104 9501 1 11 . 1 1 76 76 LYS CB C 76 34.648 34.648 32.596 2.052 25104 9502 1 11 . 1 1 76 76 LYS H H 76 7.034 7.034 7.467 -0.433 25104 9503 1 11 . 1 1 77 77 SER N N 77 114.354 114.354 116.872 -2.518 25104 9504 1 11 . 1 1 77 77 SER HA H 77 5.240 5.240 4.816 0.424 25104 9505 1 11 . 1 1 77 77 SER C C 77 176.746 176.746 176.453 0.293 25104 9506 1 11 . 1 1 77 77 SER CA C 77 57.077 57.077 57.481 -0.404 25104 9507 1 11 . 1 1 77 77 SER CB C 77 69.863 69.863 65.769 4.094 25104 9508 1 11 . 1 1 77 77 SER H H 77 7.793 7.793 8.296 -0.503 25104 9509 1 11 . 1 1 78 78 ILE N N 78 111.394 111.394 115.900 -4.506 25104 9510 1 11 . 1 1 78 78 ILE HA H 78 4.208 4.208 4.349 -0.141 25104 9511 1 11 . 1 1 78 78 ILE C C 78 176.973 176.973 175.443 1.530 25104 9512 1 11 . 1 1 78 78 ILE CA C 78 63.675 63.675 63.278 0.397 25104 9513 1 11 . 1 1 78 78 ILE CB C 78 37.434 37.434 38.064 -0.630 25104 9514 1 11 . 1 1 78 78 ILE H H 78 8.584 8.584 8.671 -0.087 25104 9515 1 11 . 1 1 79 79 TYR N N 79 120.757 120.757 120.452 0.305 25104 9516 1 11 . 1 1 79 79 TYR HA H 79 4.718 4.718 4.521 0.197 25104 9517 1 11 . 1 1 79 79 TYR C C 79 176.316 176.316 176.178 0.138 25104 9518 1 11 . 1 1 79 79 TYR CA C 79 56.216 56.216 58.159 -1.943 25104 9519 1 11 . 1 1 79 79 TYR CB C 79 38.891 38.891 37.629 1.262 25104 9520 1 11 . 1 1 79 79 TYR H H 79 8.058 8.058 7.602 0.456 25104 9521 1 11 . 1 1 80 80 GLY N N 80 106.521 106.521 108.669 -2.148 25104 9522 1 11 . 1 1 80 80 GLY CA C 80 46.021 46.021 46.128 -0.107 25104 9523 1 11 . 1 1 80 80 GLY H H 80 7.152 7.152 7.663 -0.511 25104 9524 1 11 . 1 1 81 81 GLU N N 81 122.638 122.638 126.275 -3.637 25104 9525 1 11 . 1 1 81 81 GLU HA H 81 4.008 4.008 4.281 -0.273 25104 9526 1 11 . 1 1 81 81 GLU C C 81 176.729 176.729 176.525 0.204 25104 9527 1 11 . 1 1 81 81 GLU CA C 81 60.602 60.602 58.169 2.433 25104 9528 1 11 . 1 1 81 81 GLU CB C 81 29.927 29.927 30.324 -0.397 25104 9529 1 11 . 1 1 81 81 GLU H H 81 8.884 8.884 8.834 0.050 25104 9530 1 11 . 1 1 82 82 LYS N N 82 112.369 112.369 114.488 -2.119 25104 9531 1 11 . 1 1 82 82 LYS HA H 82 5.577 5.577 4.685 0.892 25104 9532 1 11 . 1 1 82 82 LYS C C 82 176.495 176.495 175.000 1.495 25104 9533 1 11 . 1 1 82 82 LYS CA C 82 53.906 53.906 55.694 -1.788 25104 9534 1 11 . 1 1 82 82 LYS CB C 82 36.614 36.614 35.130 1.484 25104 9535 1 11 . 1 1 82 82 LYS H H 82 7.845 7.845 7.741 0.104 25104 9536 1 11 . 1 1 83 83 PHE N N 83 116.638 116.638 113.593 3.045 25104 9537 1 11 . 1 1 83 83 PHE HA H 83 5.000 5.000 4.952 0.048 25104 9538 1 11 . 1 1 83 83 PHE C C 83 174.501 174.501 172.815 1.686 25104 9539 1 11 . 1 1 83 83 PHE CA C 83 56.032 56.032 56.428 -0.396 25104 9540 1 11 . 1 1 83 83 PHE CB C 83 41.258 41.258 41.004 0.254 25104 9541 1 11 . 1 1 83 83 PHE H H 83 9.184 9.184 8.828 0.356 25104 9542 1 11 . 1 1 84 84 GLU N N 84 119.642 119.642 117.570 2.072 25104 9543 1 11 . 1 1 84 84 GLU HA H 84 3.862 3.862 4.348 -0.486 25104 9544 1 11 . 1 1 84 84 GLU C C 84 177.248 177.248 175.460 1.788 25104 9545 1 11 . 1 1 84 84 GLU CA C 84 56.452 56.452 54.082 2.370 25104 9546 1 11 . 1 1 84 84 GLU CB C 84 29.329 29.329 31.313 -1.984 25104 9547 1 11 . 1 1 84 84 GLU H H 84 9.294 9.294 8.396 0.898 25104 9548 1 11 . 1 1 85 85 ASP N N 85 118.870 118.870 119.853 -0.983 25104 9549 1 11 . 1 1 85 85 ASP HA H 85 4.285 4.285 4.279 0.006 25104 9550 1 11 . 1 1 85 85 ASP C C 85 177.100 177.100 177.493 -0.393 25104 9551 1 11 . 1 1 85 85 ASP CA C 85 54.486 54.486 55.715 -1.229 25104 9552 1 11 . 1 1 85 85 ASP CB C 85 40.954 40.954 41.154 -0.200 25104 9553 1 11 . 1 1 85 85 ASP H H 85 8.609 8.609 8.468 0.141 25104 9554 1 11 . 1 1 86 86 GLU N N 86 131.636 131.636 125.221 6.415 25104 9555 1 11 . 1 1 86 86 GLU HA H 86 3.851 3.851 4.075 -0.224 25104 9556 1 11 . 1 1 86 86 GLU C C 86 177.266 177.266 175.356 1.910 25104 9557 1 11 . 1 1 86 86 GLU CA C 86 60.354 60.354 58.955 1.399 25104 9558 1 11 . 1 1 86 86 GLU CB C 86 31.877 31.877 30.491 1.386 25104 9559 1 11 . 1 1 86 86 GLU H H 86 9.474 9.474 8.550 0.924 25104 9560 1 11 . 1 1 87 87 ASN N N 87 106.916 106.916 112.184 -5.268 25104 9561 1 11 . 1 1 87 87 ASN HA H 87 4.187 4.187 4.672 -0.485 25104 9562 1 11 . 1 1 87 87 ASN C C 87 171.751 171.751 173.885 -2.134 25104 9563 1 11 . 1 1 87 87 ASN CA C 87 52.828 52.828 52.095 0.733 25104 9564 1 11 . 1 1 87 87 ASN CB C 87 39.490 39.490 38.526 0.964 25104 9565 1 11 . 1 1 87 87 ASN H H 87 7.084 7.084 7.530 -0.446 25104 9566 1 11 . 1 1 88 88 PHE N N 88 113.116 113.116 119.686 -6.570 25104 9567 1 11 . 1 1 88 88 PHE HA H 88 5.964 5.964 4.731 1.233 25104 9568 1 11 . 1 1 88 88 PHE C C 88 178.688 178.688 175.050 3.638 25104 9569 1 11 . 1 1 88 88 PHE CA C 88 55.847 55.847 57.896 -2.049 25104 9570 1 11 . 1 1 88 88 PHE CB C 88 38.876 38.876 36.941 1.935 25104 9571 1 11 . 1 1 88 88 PHE H H 88 8.356 8.356 8.900 -0.544 25104 9572 1 11 . 1 1 89 89 ILE N N 89 119.794 119.794 119.262 0.532 25104 9573 1 11 . 1 1 89 89 ILE HA H 89 3.726 3.726 3.971 -0.245 25104 9574 1 11 . 1 1 89 89 ILE C C 89 178.596 178.596 176.233 2.363 25104 9575 1 11 . 1 1 89 89 ILE CA C 89 64.996 64.996 63.131 1.865 25104 9576 1 11 . 1 1 89 89 ILE CB C 89 39.000 39.000 38.525 0.475 25104 9577 1 11 . 1 1 89 89 ILE H H 89 8.314 8.314 7.537 0.777 25104 9578 1 11 . 1 1 90 90 LEU N N 90 117.361 117.361 120.286 -2.925 25104 9579 1 11 . 1 1 90 90 LEU HA H 90 4.516 4.516 4.287 0.229 25104 9580 1 11 . 1 1 90 90 LEU C C 90 177.345 177.345 175.822 1.523 25104 9581 1 11 . 1 1 90 90 LEU CA C 90 54.196 54.196 54.466 -0.270 25104 9582 1 11 . 1 1 90 90 LEU CB C 90 42.100 42.100 41.763 0.337 25104 9583 1 11 . 1 1 90 90 LEU H H 90 7.777 7.777 8.116 -0.339 25104 9584 1 11 . 1 1 91 91 LYS N N 91 119.096 119.096 123.305 -4.209 25104 9585 1 11 . 1 1 91 91 LYS HA H 91 4.635 4.635 4.727 -0.092 25104 9586 1 11 . 1 1 91 91 LYS C C 91 177.296 177.296 176.370 0.926 25104 9587 1 11 . 1 1 91 91 LYS CA C 91 54.689 54.689 54.960 -0.271 25104 9588 1 11 . 1 1 91 91 LYS CB C 91 34.841 34.841 35.660 -0.819 25104 9589 1 11 . 1 1 91 91 LYS H H 91 8.086 8.086 8.505 -0.419 25104 9590 1 11 . 1 1 92 92 HIS N N 92 122.578 122.578 120.091 2.487 25104 9591 1 11 . 1 1 92 92 HIS HA H 92 4.408 4.408 4.617 -0.209 25104 9592 1 11 . 1 1 92 92 HIS C C 92 178.794 178.794 175.008 3.786 25104 9593 1 11 . 1 1 92 92 HIS CA C 92 56.886 56.886 56.234 0.652 25104 9594 1 11 . 1 1 92 92 HIS CB C 92 26.041 26.041 27.874 -1.833 25104 9595 1 11 . 1 1 92 92 HIS H H 92 10.736 10.736 8.933 1.803 25104 9596 1 11 . 1 1 93 93 THR N N 93 110.479 110.479 114.354 -3.875 25104 9597 1 11 . 1 1 93 93 THR HA H 93 4.056 4.056 4.409 -0.353 25104 9598 1 11 . 1 1 93 93 THR C C 93 176.456 176.456 173.756 2.700 25104 9599 1 11 . 1 1 93 93 THR CA C 93 63.324 63.324 62.457 0.867 25104 9600 1 11 . 1 1 93 93 THR CB C 93 69.416 69.416 69.318 0.098 25104 9601 1 11 . 1 1 93 93 THR H H 93 7.315 7.315 7.728 -0.413 25104 9602 1 11 . 1 1 94 94 GLY N N 94 107.272 107.272 108.828 -1.556 25104 9603 1 11 . 1 1 94 94 GLY C C 94 178.117 178.117 171.797 6.320 25104 9604 1 11 . 1 1 94 94 GLY H H 94 7.530 7.530 7.451 0.079 25104 9605 1 11 . 1 1 95 95 PRO HA H 95 3.856 3.856 4.436 -0.580 25104 9606 1 11 . 1 1 95 95 PRO CA C 95 62.687 62.687 62.667 0.020 25104 9607 1 11 . 1 1 95 95 PRO CB C 95 32.137 32.137 32.882 -0.745 25104 9608 1 11 . 1 1 96 96 GLY N N 96 110.210 110.210 109.274 0.936 25104 9609 1 11 . 1 1 96 96 GLY C C 96 174.025 174.025 175.031 -1.006 25104 9610 1 11 . 1 1 96 96 GLY CA C 96 45.068 45.068 45.387 -0.319 25104 9611 1 11 . 1 1 96 96 GLY H H 96 9.305 9.305 8.260 1.045 25104 9612 1 11 . 1 1 97 97 ILE N N 97 121.517 121.517 122.108 -0.591 25104 9613 1 11 . 1 1 97 97 ILE HA H 97 4.173 4.173 3.915 0.258 25104 9614 1 11 . 1 1 97 97 ILE C C 97 174.196 174.196 174.960 -0.764 25104 9615 1 11 . 1 1 97 97 ILE CA C 97 59.398 59.398 60.718 -1.321 25104 9616 1 11 . 1 1 97 97 ILE CB C 97 37.922 37.922 35.393 2.529 25104 9617 1 11 . 1 1 97 97 ILE H H 97 6.826 6.826 8.011 -1.185 25104 9618 1 11 . 1 1 98 98 LEU N N 98 128.948 128.948 132.169 -3.221 25104 9619 1 11 . 1 1 98 98 LEU HA H 98 5.010 5.010 4.704 0.306 25104 9620 1 11 . 1 1 98 98 LEU C C 98 175.316 175.316 174.769 0.547 25104 9621 1 11 . 1 1 98 98 LEU CA C 98 53.350 53.350 53.701 -0.351 25104 9622 1 11 . 1 1 98 98 LEU CB C 98 43.813 43.813 42.898 0.915 25104 9623 1 11 . 1 1 98 98 LEU H H 98 7.907 7.907 8.070 -0.163 25104 9624 1 11 . 1 1 99 99 SER N N 99 118.834 118.834 120.457 -1.623 25104 9625 1 11 . 1 1 99 99 SER HA H 99 5.346 5.346 4.938 0.408 25104 9626 1 11 . 1 1 99 99 SER C C 99 175.732 175.732 172.932 2.800 25104 9627 1 11 . 1 1 99 99 SER CA C 99 55.011 55.011 56.223 -1.212 25104 9628 1 11 . 1 1 99 99 SER CB C 99 65.370 65.370 65.870 -0.500 25104 9629 1 11 . 1 1 99 99 SER H H 99 8.307 8.307 8.584 -0.277 25104 9630 1 11 . 1 1 100 100 MET N N 100 123.079 123.079 121.734 1.345 25104 9631 1 11 . 1 1 100 100 MET HA H 100 5.338 5.338 4.404 0.934 25104 9632 1 11 . 1 1 100 100 MET C C 100 178.920 178.920 176.122 2.798 25104 9633 1 11 . 1 1 100 100 MET CA C 100 53.853 53.853 55.605 -1.752 25104 9634 1 11 . 1 1 100 100 MET H H 100 8.563 8.563 8.970 -0.407 25104 9635 1 11 . 1 1 101 101 ALA N N 101 126.225 126.225 125.346 0.879 25104 9636 1 11 . 1 1 101 101 ALA HA H 101 4.362 4.362 4.553 -0.191 25104 9637 1 11 . 1 1 101 101 ALA C C 101 176.471 176.471 175.849 0.622 25104 9638 1 11 . 1 1 101 101 ALA CA C 101 51.743 51.743 52.673 -0.930 25104 9639 1 11 . 1 1 101 101 ALA CB C 101 19.619 19.619 20.375 -0.756 25104 9640 1 11 . 1 1 101 101 ALA H H 101 8.114 8.114 8.106 0.008 25104 9641 1 11 . 1 1 102 102 ASN N N 102 113.398 113.398 117.337 -3.939 25104 9642 1 11 . 1 1 102 102 ASN HA H 102 4.647 4.647 4.838 -0.191 25104 9643 1 11 . 1 1 102 102 ASN C C 102 174.740 174.740 173.796 0.944 25104 9644 1 11 . 1 1 102 102 ASN CA C 102 54.102 54.102 52.713 1.389 25104 9645 1 11 . 1 1 102 102 ASN CB C 102 40.597 40.597 40.368 0.229 25104 9646 1 11 . 1 1 102 102 ASN H H 102 8.062 8.062 8.164 -0.102 25104 9647 1 11 . 1 1 103 103 ALA N N 103 123.487 123.487 121.169 2.318 25104 9648 1 11 . 1 1 103 103 ALA HA H 103 4.868 4.868 4.521 0.347 25104 9649 1 11 . 1 1 103 103 ALA C C 103 177.823 177.823 176.675 1.148 25104 9650 1 11 . 1 1 103 103 ALA CA C 103 50.380 50.380 52.216 -1.836 25104 9651 1 11 . 1 1 103 103 ALA CB C 103 19.295 19.295 19.224 0.070 25104 9652 1 11 . 1 1 103 103 ALA H H 103 8.822 8.822 8.656 0.166 25104 9653 1 11 . 1 1 104 104 GLY N N 104 109.271 109.271 106.568 2.703 25104 9654 1 11 . 1 1 104 104 GLY CA C 104 43.559 43.559 44.835 -1.276 25104 9655 1 11 . 1 1 104 104 GLY H H 104 8.181 8.181 7.783 0.398 25104 9656 1 11 . 1 1 105 105 PRO HA H 105 4.385 4.385 4.363 0.022 25104 9657 1 11 . 1 1 105 105 PRO C C 105 177.209 177.209 176.879 0.330 25104 9658 1 11 . 1 1 105 105 PRO CA C 105 63.976 63.976 62.578 1.399 25104 9659 1 11 . 1 1 105 105 PRO CB C 105 32.136 32.136 32.248 -0.112 25104 9660 1 11 . 1 1 106 106 ASN N N 106 119.146 119.146 116.609 2.537 25104 9661 1 11 . 1 1 106 106 ASN HA H 106 4.052 4.052 4.428 -0.376 25104 9662 1 11 . 1 1 106 106 ASN C C 106 175.857 175.857 174.604 1.253 25104 9663 1 11 . 1 1 106 106 ASN CA C 106 54.279 54.279 54.884 -0.605 25104 9664 1 11 . 1 1 106 106 ASN CB C 106 37.248 37.248 37.925 -0.677 25104 9665 1 11 . 1 1 106 106 ASN H H 106 8.912 8.912 8.838 0.074 25104 9666 1 11 . 1 1 107 107 THR N N 107 110.101 110.101 111.516 -1.415 25104 9667 1 11 . 1 1 107 107 THR HA H 107 4.493 4.493 4.320 0.173 25104 9668 1 11 . 1 1 107 107 THR C C 107 174.713 174.713 173.223 1.490 25104 9669 1 11 . 1 1 107 107 THR CA C 107 60.294 60.294 62.675 -2.381 25104 9670 1 11 . 1 1 107 107 THR CB C 107 69.030 69.030 69.240 -0.211 25104 9671 1 11 . 1 1 107 107 THR H H 107 10.191 10.191 7.573 2.618 25104 9672 1 11 . 1 1 108 108 ASN N N 108 120.592 120.592 119.539 1.053 25104 9673 1 11 . 1 1 108 108 ASN HA H 108 4.210 4.210 4.522 -0.312 25104 9674 1 11 . 1 1 108 108 ASN C C 108 175.078 175.078 175.317 -0.239 25104 9675 1 11 . 1 1 108 108 ASN CA C 108 55.287 55.287 53.246 2.041 25104 9676 1 11 . 1 1 108 108 ASN CB C 108 39.036 39.036 39.049 -0.013 25104 9677 1 11 . 1 1 108 108 ASN H H 108 7.410 7.410 7.464 -0.054 25104 9678 1 11 . 1 1 109 109 GLY N N 109 110.835 110.835 111.068 -0.233 25104 9679 1 11 . 1 1 109 109 GLY C C 109 172.087 172.087 173.732 -1.645 25104 9680 1 11 . 1 1 109 109 GLY CA C 109 45.940 45.940 45.046 0.894 25104 9681 1 11 . 1 1 109 109 GLY H H 109 9.192 9.192 8.567 0.625 25104 9682 1 11 . 1 1 110 110 SER N N 110 117.149 117.149 118.303 -1.154 25104 9683 1 11 . 1 1 110 110 SER HA H 110 4.751 4.751 4.876 -0.125 25104 9684 1 11 . 1 1 110 110 SER C C 110 177.075 177.075 174.696 2.379 25104 9685 1 11 . 1 1 110 110 SER CA C 110 57.526 57.526 57.535 -0.009 25104 9686 1 11 . 1 1 110 110 SER CB C 110 66.180 66.180 64.844 1.335 25104 9687 1 11 . 1 1 110 110 SER H H 110 8.793 8.793 7.459 1.334 25104 9688 1 11 . 1 1 111 111 GLN N N 111 124.594 124.594 120.739 3.855 25104 9689 1 11 . 1 1 111 111 GLN HA H 111 4.225 4.225 4.022 0.203 25104 9690 1 11 . 1 1 111 111 GLN C C 111 179.174 179.174 175.119 4.055 25104 9691 1 11 . 1 1 111 111 GLN CA C 111 58.144 58.144 57.693 0.451 25104 9692 1 11 . 1 1 111 111 GLN CB C 111 31.558 31.558 28.577 2.981 25104 9693 1 11 . 1 1 111 111 GLN H H 111 8.438 8.438 8.167 0.271 25104 9694 1 11 . 1 1 112 112 PHE N N 112 118.008 118.008 113.907 4.101 25104 9695 1 11 . 1 1 112 112 PHE HA H 112 5.806 5.806 4.887 0.919 25104 9696 1 11 . 1 1 112 112 PHE C C 112 172.840 172.840 173.032 -0.192 25104 9697 1 11 . 1 1 112 112 PHE CA C 112 55.584 55.584 56.267 -0.683 25104 9698 1 11 . 1 1 112 112 PHE CB C 112 43.323 43.323 41.435 1.888 25104 9699 1 11 . 1 1 112 112 PHE H H 112 8.120 8.120 7.963 0.157 25104 9700 1 11 . 1 1 113 113 PHE N N 113 116.406 116.406 117.668 -1.262 25104 9701 1 11 . 1 1 113 113 PHE HA H 113 5.739 5.739 5.390 0.349 25104 9702 1 11 . 1 1 113 113 PHE C C 113 175.349 175.349 173.635 1.714 25104 9703 1 11 . 1 1 113 113 PHE CA C 113 54.684 54.684 54.666 0.018 25104 9704 1 11 . 1 1 113 113 PHE CB C 113 42.825 42.825 42.427 0.398 25104 9705 1 11 . 1 1 113 113 PHE H H 113 9.832 9.832 8.758 1.074 25104 9706 1 11 . 1 1 114 114 ILE N N 114 118.683 118.683 120.778 -2.095 25104 9707 1 11 . 1 1 114 114 ILE HA H 114 4.842 4.842 5.019 -0.177 25104 9708 1 11 . 1 1 114 114 ILE C C 114 178.414 178.414 175.938 2.476 25104 9709 1 11 . 1 1 114 114 ILE CA C 114 60.265 60.265 59.714 0.551 25104 9710 1 11 . 1 1 114 114 ILE CB C 114 40.466 40.466 39.965 0.501 25104 9711 1 11 . 1 1 114 114 ILE H H 114 9.156 9.156 8.629 0.527 25104 9712 1 11 . 1 1 115 115 CYS N N 115 125.524 125.524 128.437 -2.913 25104 9713 1 11 . 1 1 115 115 CYS HA H 115 4.808 4.808 4.781 0.027 25104 9714 1 11 . 1 1 115 115 CYS C C 115 177.658 177.658 176.595 1.063 25104 9715 1 11 . 1 1 115 115 CYS CA C 115 60.803 60.803 57.725 3.078 25104 9716 1 11 . 1 1 115 115 CYS CB C 115 28.723 28.723 25.608 3.115 25104 9717 1 11 . 1 1 115 115 CYS H H 115 9.616 9.616 8.973 0.643 25104 9718 1 11 . 1 1 116 116 THR N N 116 115.801 115.801 118.697 -2.896 25104 9719 1 11 . 1 1 116 116 THR HA H 116 4.380 4.380 4.193 0.187 25104 9720 1 11 . 1 1 116 116 THR C C 116 178.496 178.496 174.817 3.679 25104 9721 1 11 . 1 1 116 116 THR CA C 116 60.844 60.844 64.129 -3.285 25104 9722 1 11 . 1 1 116 116 THR CB C 116 66.730 66.730 69.127 -2.397 25104 9723 1 11 . 1 1 116 116 THR H H 116 8.990 8.990 8.440 0.550 25104 9724 1 11 . 1 1 117 117 ALA N N 117 122.356 122.356 123.774 -1.418 25104 9725 1 11 . 1 1 117 117 ALA HA H 117 4.420 4.420 4.611 -0.191 25104 9726 1 11 . 1 1 117 117 ALA C C 117 176.114 176.114 175.708 0.406 25104 9727 1 11 . 1 1 117 117 ALA CA C 117 50.668 50.668 50.602 0.066 25104 9728 1 11 . 1 1 117 117 ALA CB C 117 22.795 22.795 20.626 2.169 25104 9729 1 11 . 1 1 117 117 ALA H H 117 7.641 7.641 7.451 0.190 25104 9730 1 11 . 1 1 118 118 LYS N N 118 119.855 119.855 119.622 0.233 25104 9731 1 11 . 1 1 118 118 LYS HA H 118 3.840 3.840 4.385 -0.545 25104 9732 1 11 . 1 1 118 118 LYS C C 118 177.211 177.211 176.556 0.655 25104 9733 1 11 . 1 1 118 118 LYS CA C 118 57.913 57.913 55.945 1.968 25104 9734 1 11 . 1 1 118 118 LYS CB C 118 32.708 32.708 30.656 2.052 25104 9735 1 11 . 1 1 118 118 LYS H H 118 8.693 8.693 8.509 0.184 25104 9736 1 11 . 1 1 119 119 THR N N 119 119.004 119.004 116.622 2.382 25104 9737 1 11 . 1 1 119 119 THR HA H 119 3.730 3.730 3.543 0.187 25104 9738 1 11 . 1 1 119 119 THR C C 119 177.928 177.928 174.972 2.956 25104 9739 1 11 . 1 1 119 119 THR CA C 119 57.301 57.301 61.350 -4.049 25104 9740 1 11 . 1 1 119 119 THR CB C 119 68.717 68.717 67.684 1.033 25104 9741 1 11 . 1 1 119 119 THR H H 119 7.373 7.373 8.135 -0.762 25104 9742 1 11 . 1 1 120 120 GLU N N 120 124.713 124.713 124.696 0.017 25104 9743 1 11 . 1 1 120 120 GLU HA H 120 4.162 4.162 4.093 0.069 25104 9744 1 11 . 1 1 120 120 GLU C C 120 178.190 178.190 177.523 0.667 25104 9745 1 11 . 1 1 120 120 GLU CA C 120 59.334 59.334 58.906 0.428 25104 9746 1 11 . 1 1 120 120 GLU CB C 120 29.322 29.322 29.000 0.322 25104 9747 1 11 . 1 1 120 120 GLU H H 120 9.139 9.139 7.855 1.284 25104 9748 1 11 . 1 1 121 121 TRP N N 121 117.782 117.782 116.239 1.543 25104 9749 1 11 . 1 1 121 121 TRP HA H 121 4.716 4.716 4.561 0.155 25104 9750 1 11 . 1 1 121 121 TRP C C 121 177.244 177.244 176.226 1.018 25104 9751 1 11 . 1 1 121 121 TRP CA C 121 59.748 59.748 56.863 2.885 25104 9752 1 11 . 1 1 121 121 TRP CB C 121 26.947 26.947 28.585 -1.638 25104 9753 1 11 . 1 1 121 121 TRP H H 121 7.297 7.297 7.793 -0.496 25104 9754 1 11 . 1 1 122 122 LEU N N 122 119.806 119.806 119.811 -0.005 25104 9755 1 11 . 1 1 122 122 LEU HA H 122 4.315 4.315 4.435 -0.120 25104 9756 1 11 . 1 1 122 122 LEU C C 122 173.304 173.304 176.606 -3.302 25104 9757 1 11 . 1 1 122 122 LEU CA C 122 54.543 54.543 53.591 0.952 25104 9758 1 11 . 1 1 122 122 LEU CB C 122 39.075 39.075 40.407 -1.331 25104 9759 1 11 . 1 1 122 122 LEU H H 122 7.037 7.037 6.941 0.096 25104 9760 1 11 . 1 1 123 123 ASP N N 123 122.205 122.205 122.497 -0.292 25104 9761 1 11 . 1 1 123 123 ASP HA H 123 5.222 5.222 4.558 0.664 25104 9762 1 11 . 1 1 123 123 ASP C C 123 179.276 179.276 177.264 2.012 25104 9763 1 11 . 1 1 123 123 ASP CA C 123 55.889 55.889 56.176 -0.287 25104 9764 1 11 . 1 1 123 123 ASP CB C 123 39.517 39.517 40.843 -1.326 25104 9765 1 11 . 1 1 123 123 ASP H H 123 7.643 7.643 7.607 0.036 25104 9766 1 11 . 1 1 124 124 GLY N N 124 111.205 111.205 112.649 -1.444 25104 9767 1 11 . 1 1 124 124 GLY C C 124 173.148 173.148 174.398 -1.250 25104 9768 1 11 . 1 1 124 124 GLY CA C 124 45.114 45.114 45.156 -0.042 25104 9769 1 11 . 1 1 124 124 GLY H H 124 9.550 9.550 8.848 0.702 25104 9770 1 11 . 1 1 125 125 LYS N N 125 115.408 115.408 121.247 -5.839 25104 9771 1 11 . 1 1 125 125 LYS HA H 125 4.173 4.173 4.447 -0.274 25104 9772 1 11 . 1 1 125 125 LYS C C 125 176.351 176.351 176.241 0.110 25104 9773 1 11 . 1 1 125 125 LYS CA C 125 56.341 56.341 55.240 1.101 25104 9774 1 11 . 1 1 125 125 LYS CB C 125 35.504 35.504 33.921 1.583 25104 9775 1 11 . 1 1 125 125 LYS H H 125 7.765 7.765 7.562 0.203 25104 9776 1 11 . 1 1 126 126 HIS N N 126 119.526 119.526 119.154 0.372 25104 9777 1 11 . 1 1 126 126 HIS HA H 126 4.863 4.863 4.677 0.186 25104 9778 1 11 . 1 1 126 126 HIS C C 126 174.784 174.784 175.829 -1.045 25104 9779 1 11 . 1 1 126 126 HIS CA C 126 54.923 54.923 57.206 -2.283 25104 9780 1 11 . 1 1 126 126 HIS CB C 126 31.675 31.675 30.432 1.243 25104 9781 1 11 . 1 1 126 126 HIS H H 126 7.600 7.600 8.753 -1.153 25104 9782 1 11 . 1 1 127 127 VAL N N 127 125.009 125.009 126.743 -1.734 25104 9783 1 11 . 1 1 127 127 VAL HA H 127 4.307 4.307 3.851 0.456 25104 9784 1 11 . 1 1 127 127 VAL C C 127 176.442 176.442 175.895 0.547 25104 9785 1 11 . 1 1 127 127 VAL CA C 127 63.893 63.893 63.513 0.380 25104 9786 1 11 . 1 1 127 127 VAL CB C 127 33.553 33.553 32.133 1.420 25104 9787 1 11 . 1 1 127 127 VAL H H 127 8.523 8.523 7.635 0.888 25104 9788 1 11 . 1 1 128 128 VAL N N 128 133.065 133.065 124.291 8.774 25104 9789 1 11 . 1 1 128 128 VAL HA H 128 4.176 4.176 3.790 0.386 25104 9790 1 11 . 1 1 128 128 VAL C C 128 176.113 176.113 175.516 0.597 25104 9791 1 11 . 1 1 128 128 VAL CA C 128 63.172 63.172 63.681 -0.509 25104 9792 1 11 . 1 1 128 128 VAL CB C 128 31.612 31.612 32.059 -0.447 25104 9793 1 11 . 1 1 128 128 VAL H H 128 9.474 9.474 7.951 1.523 25104 9794 1 11 . 1 1 129 129 PHE N N 129 117.892 117.892 118.944 -1.052 25104 9795 1 11 . 1 1 129 129 PHE HA H 129 5.308 5.308 4.974 0.334 25104 9796 1 11 . 1 1 129 129 PHE C C 129 173.725 173.725 174.236 -0.511 25104 9797 1 11 . 1 1 129 129 PHE CA C 129 55.969 55.969 56.945 -0.976 25104 9798 1 11 . 1 1 129 129 PHE CB C 129 42.581 42.581 41.475 1.106 25104 9799 1 11 . 1 1 129 129 PHE H H 129 8.138 8.138 8.095 0.043 25104 9800 1 11 . 1 1 130 130 GLY N N 130 110.747 110.747 106.388 4.359 25104 9801 1 11 . 1 1 130 130 GLY C C 130 171.591 171.591 171.759 -0.168 25104 9802 1 11 . 1 1 130 130 GLY CA C 130 46.505 46.505 44.016 2.489 25104 9803 1 11 . 1 1 130 130 GLY H H 130 7.356 7.356 7.540 -0.184 25104 9804 1 11 . 1 1 131 131 LYS N N 131 115.453 115.453 121.167 -5.714 25104 9805 1 11 . 1 1 131 131 LYS HA H 131 5.246 5.246 4.945 0.301 25104 9806 1 11 . 1 1 131 131 LYS C C 131 176.109 176.109 175.805 0.304 25104 9807 1 11 . 1 1 131 131 LYS CA C 131 54.887 54.887 55.164 -0.277 25104 9808 1 11 . 1 1 131 131 LYS CB C 131 36.077 36.077 37.028 -0.951 25104 9809 1 11 . 1 1 131 131 LYS H H 131 8.390 8.390 8.124 0.266 25104 9810 1 11 . 1 1 132 132 VAL N N 132 124.311 124.311 128.767 -4.456 25104 9811 1 11 . 1 1 132 132 VAL HA H 132 3.955 3.955 3.805 0.150 25104 9812 1 11 . 1 1 132 132 VAL C C 132 176.489 176.489 176.385 0.104 25104 9813 1 11 . 1 1 132 132 VAL CA C 132 64.284 64.284 63.961 0.323 25104 9814 1 11 . 1 1 132 132 VAL CB C 132 32.709 32.709 30.710 1.999 25104 9815 1 11 . 1 1 132 132 VAL H H 132 9.071 9.071 8.651 0.420 25104 9816 1 11 . 1 1 133 133 LYS N N 133 131.670 131.670 127.603 4.067 25104 9817 1 11 . 1 1 133 133 LYS HA H 133 4.483 4.483 4.289 0.194 25104 9818 1 11 . 1 1 133 133 LYS C C 133 176.283 176.283 176.777 -0.494 25104 9819 1 11 . 1 1 133 133 LYS CA C 133 56.978 56.978 57.363 -0.385 25104 9820 1 11 . 1 1 133 133 LYS CB C 133 34.028 34.028 33.047 0.981 25104 9821 1 11 . 1 1 133 133 LYS H H 133 9.494 9.494 8.305 1.189 25104 9822 1 11 . 1 1 134 134 GLU N N 134 118.417 118.417 118.099 0.318 25104 9823 1 11 . 1 1 134 134 GLU HA H 134 4.639 4.639 4.477 0.162 25104 9824 1 11 . 1 1 134 134 GLU C C 134 175.925 175.925 175.390 0.535 25104 9825 1 11 . 1 1 134 134 GLU CA C 134 55.235 55.235 55.417 -0.182 25104 9826 1 11 . 1 1 134 134 GLU CB C 134 32.909 32.909 32.757 0.152 25104 9827 1 11 . 1 1 134 134 GLU H H 134 7.571 7.571 7.840 -0.269 25104 9828 1 11 . 1 1 135 135 GLY N N 135 108.109 108.109 108.725 -0.616 25104 9829 1 11 . 1 1 135 135 GLY C C 135 178.060 178.060 175.014 3.046 25104 9830 1 11 . 1 1 135 135 GLY CA C 135 46.195 46.195 46.029 0.166 25104 9831 1 11 . 1 1 135 135 GLY H H 135 8.695 8.695 8.572 0.123 25104 9832 1 11 . 1 1 136 136 MET N N 136 122.582 122.582 120.003 2.579 25104 9833 1 11 . 1 1 136 136 MET HA H 136 4.496 4.496 4.252 0.244 25104 9834 1 11 . 1 1 136 136 MET C C 136 178.649 178.649 177.123 1.526 25104 9835 1 11 . 1 1 136 136 MET CA C 136 56.829 56.829 56.614 0.215 25104 9836 1 11 . 1 1 136 136 MET CB C 136 30.215 30.215 32.050 -1.835 25104 9837 1 11 . 1 1 136 136 MET H H 136 8.854 8.854 8.149 0.705 25104 9838 1 11 . 1 1 137 137 ASN N N 137 114.457 114.457 117.694 -3.237 25104 9839 1 11 . 1 1 137 137 ASN HA H 137 4.504 4.504 4.468 0.036 25104 9840 1 11 . 1 1 137 137 ASN C C 137 178.441 178.441 177.626 0.815 25104 9841 1 11 . 1 1 137 137 ASN CA C 137 55.819 55.819 56.441 -0.622 25104 9842 1 11 . 1 1 137 137 ASN CB C 137 36.016 36.016 37.678 -1.662 25104 9843 1 11 . 1 1 137 137 ASN H H 137 8.932 8.932 8.684 0.248 25104 9844 1 11 . 1 1 138 138 ILE N N 138 124.190 124.190 119.343 4.847 25104 9845 1 11 . 1 1 138 138 ILE HA H 138 3.800 3.800 3.911 -0.111 25104 9846 1 11 . 1 1 138 138 ILE C C 138 178.595 178.595 177.958 0.637 25104 9847 1 11 . 1 1 138 138 ILE CA C 138 61.581 61.581 63.257 -1.676 25104 9848 1 11 . 1 1 138 138 ILE CB C 138 34.468 34.468 37.034 -2.566 25104 9849 1 11 . 1 1 138 138 ILE H H 138 7.686 7.686 7.334 0.352 25104 9850 1 11 . 1 1 139 139 VAL N N 139 121.912 121.912 120.936 0.976 25104 9851 1 11 . 1 1 139 139 VAL HA H 139 3.879 3.879 3.594 0.285 25104 9852 1 11 . 1 1 139 139 VAL C C 139 179.051 179.051 178.422 0.629 25104 9853 1 11 . 1 1 139 139 VAL CA C 139 66.206 66.206 66.716 -0.510 25104 9854 1 11 . 1 1 139 139 VAL CB C 139 31.195 31.195 30.644 0.551 25104 9855 1 11 . 1 1 139 139 VAL H H 139 7.286 7.286 7.766 -0.480 25104 9856 1 11 . 1 1 140 140 GLU N N 140 117.357 117.357 118.531 -1.174 25104 9857 1 11 . 1 1 140 140 GLU HA H 140 4.095 4.095 4.027 0.068 25104 9858 1 11 . 1 1 140 140 GLU C C 140 180.486 180.486 178.841 1.645 25104 9859 1 11 . 1 1 140 140 GLU CA C 140 59.336 59.336 59.018 0.318 25104 9860 1 11 . 1 1 140 140 GLU CB C 140 30.199 30.199 29.399 0.800 25104 9861 1 11 . 1 1 140 140 GLU H H 140 8.309 8.309 7.910 0.399 25104 9862 1 11 . 1 1 141 141 ALA N N 141 121.133 121.133 122.049 -0.916 25104 9863 1 11 . 1 1 141 141 ALA HA H 141 4.118 4.118 3.972 0.146 25104 9864 1 11 . 1 1 141 141 ALA C C 141 181.524 181.524 179.063 2.461 25104 9865 1 11 . 1 1 141 141 ALA CA C 141 54.771 54.771 54.860 -0.089 25104 9866 1 11 . 1 1 141 141 ALA CB C 141 18.207 18.207 18.744 -0.536 25104 9867 1 11 . 1 1 141 141 ALA H H 141 7.539 7.539 7.618 -0.079 25104 9868 1 11 . 1 1 142 142 MET N N 142 117.513 117.513 115.264 2.249 25104 9869 1 11 . 1 1 142 142 MET HA H 142 3.993 3.993 4.637 -0.644 25104 9870 1 11 . 1 1 142 142 MET C C 142 178.862 178.862 178.416 0.446 25104 9871 1 11 . 1 1 142 142 MET CA C 142 59.678 59.678 58.323 1.355 25104 9872 1 11 . 1 1 142 142 MET CB C 142 33.723 33.723 32.716 1.007 25104 9873 1 11 . 1 1 142 142 MET H H 142 8.284 8.284 7.997 0.287 25104 9874 1 11 . 1 1 143 143 GLU N N 143 116.365 116.365 121.010 -4.645 25104 9875 1 11 . 1 1 143 143 GLU HA H 143 3.772 3.772 4.051 -0.279 25104 9876 1 11 . 1 1 143 143 GLU C C 143 179.051 179.051 178.698 0.353 25104 9877 1 11 . 1 1 143 143 GLU CA C 143 59.345 59.345 59.152 0.193 25104 9878 1 11 . 1 1 143 143 GLU CB C 143 30.470 30.470 29.423 1.047 25104 9879 1 11 . 1 1 143 143 GLU H H 143 7.853 7.853 7.896 -0.043 25104 9880 1 11 . 1 1 144 144 ARG N N 144 114.753 114.753 117.561 -2.808 25104 9881 1 11 . 1 1 144 144 ARG HA H 144 3.978 3.978 4.014 -0.036 25104 9882 1 11 . 1 1 144 144 ARG C C 144 178.222 178.222 177.599 0.623 25104 9883 1 11 . 1 1 144 144 ARG CA C 144 57.669 57.669 58.141 -0.472 25104 9884 1 11 . 1 1 144 144 ARG CB C 144 29.523 29.523 29.846 -0.324 25104 9885 1 11 . 1 1 144 144 ARG H H 144 7.082 7.082 7.350 -0.268 25104 9886 1 11 . 1 1 145 145 PHE N N 145 115.388 115.388 116.602 -1.214 25104 9887 1 11 . 1 1 145 145 PHE HA H 145 4.851 4.851 4.592 0.259 25104 9888 1 11 . 1 1 145 145 PHE C C 145 176.868 176.868 175.373 1.495 25104 9889 1 11 . 1 1 145 145 PHE CA C 145 57.717 57.717 57.383 0.334 25104 9890 1 11 . 1 1 145 145 PHE CB C 145 38.998 38.998 38.609 0.389 25104 9891 1 11 . 1 1 145 145 PHE H H 145 7.651 7.651 7.296 0.355 25104 9892 1 11 . 1 1 146 146 GLY N N 146 104.842 104.842 107.101 -2.259 25104 9893 1 11 . 1 1 146 146 GLY C C 146 172.946 172.946 173.470 -0.524 25104 9894 1 11 . 1 1 146 146 GLY CA C 146 44.065 44.065 44.340 -0.275 25104 9895 1 11 . 1 1 146 146 GLY H H 146 7.551 7.551 7.531 0.020 25104 9896 1 11 . 1 1 147 147 SER N N 147 110.079 110.079 113.300 -3.221 25104 9897 1 11 . 1 1 147 147 SER HA H 147 4.813 4.813 4.803 0.010 25104 9898 1 11 . 1 1 147 147 SER C C 147 176.384 176.384 175.309 1.075 25104 9899 1 11 . 1 1 147 147 SER CA C 147 58.165 58.165 57.032 1.133 25104 9900 1 11 . 1 1 147 147 SER CB C 147 65.804 65.804 66.670 -0.866 25104 9901 1 11 . 1 1 147 147 SER H H 147 8.229 8.229 8.091 0.138 25104 9902 1 11 . 1 1 148 148 ARG N N 148 120.299 120.299 122.094 -1.795 25104 9903 1 11 . 1 1 148 148 ARG HA H 148 4.221 4.221 4.237 -0.016 25104 9904 1 11 . 1 1 148 148 ARG C C 148 177.709 177.709 176.482 1.227 25104 9905 1 11 . 1 1 148 148 ARG CA C 148 59.810 59.810 57.982 1.828 25104 9906 1 11 . 1 1 148 148 ARG CB C 148 29.896 29.896 29.847 0.049 25104 9907 1 11 . 1 1 148 148 ARG H H 148 8.850 8.850 8.792 0.058 25104 9908 1 11 . 1 1 149 149 ASN N N 149 111.689 111.689 115.039 -3.350 25104 9909 1 11 . 1 1 149 149 ASN HA H 149 4.901 4.901 4.720 0.181 25104 9910 1 11 . 1 1 149 149 ASN C C 149 177.708 177.708 176.153 1.555 25104 9911 1 11 . 1 1 149 149 ASN CA C 149 52.305 52.305 52.541 -0.236 25104 9912 1 11 . 1 1 149 149 ASN CB C 149 38.477 38.477 37.639 0.838 25104 9913 1 11 . 1 1 149 149 ASN H H 149 7.891 7.891 8.020 -0.129 25104 9914 1 11 . 1 1 150 150 GLY N N 150 110.138 110.138 108.511 1.627 25104 9915 1 11 . 1 1 150 150 GLY C C 150 174.368 174.368 173.739 0.629 25104 9916 1 11 . 1 1 150 150 GLY CA C 150 45.257 45.257 44.850 0.407 25104 9917 1 11 . 1 1 150 150 GLY H H 150 8.087 8.087 7.979 0.108 25104 9918 1 11 . 1 1 151 151 LYS N N 151 119.859 119.859 123.824 -3.965 25104 9919 1 11 . 1 1 151 151 LYS HA H 151 4.466 4.466 4.740 -0.274 25104 9920 1 11 . 1 1 151 151 LYS C C 151 179.533 179.533 176.345 3.188 25104 9921 1 11 . 1 1 151 151 LYS CA C 151 57.088 57.088 56.091 0.997 25104 9922 1 11 . 1 1 151 151 LYS CB C 151 32.435 32.435 33.893 -1.458 25104 9923 1 11 . 1 1 151 151 LYS H H 151 7.534 7.534 7.741 -0.207 25104 9924 1 11 . 1 1 152 152 THR N N 152 116.442 116.442 114.791 1.651 25104 9925 1 11 . 1 1 152 152 THR HA H 152 5.579 5.579 4.679 0.900 25104 9926 1 11 . 1 1 152 152 THR C C 152 176.969 176.969 175.061 1.908 25104 9927 1 11 . 1 1 152 152 THR CA C 152 60.097 60.097 61.221 -1.123 25104 9928 1 11 . 1 1 152 152 THR CB C 152 71.324 71.324 69.525 1.799 25104 9929 1 11 . 1 1 152 152 THR H H 152 8.837 8.837 8.125 0.712 25104 9930 1 11 . 1 1 153 153 SER N N 153 117.113 117.113 120.673 -3.560 25104 9931 1 11 . 1 1 153 153 SER HA H 153 4.574 4.574 4.312 0.262 25104 9932 1 11 . 1 1 153 153 SER C C 153 175.737 175.737 174.617 1.120 25104 9933 1 11 . 1 1 153 153 SER CA C 153 58.222 58.222 61.486 -3.264 25104 9934 1 11 . 1 1 153 153 SER CB C 153 63.922 63.922 63.633 0.289 25104 9935 1 11 . 1 1 153 153 SER H H 153 9.424 9.424 8.947 0.477 25104 9936 1 11 . 1 1 154 154 LYS N N 154 119.347 119.347 119.262 0.085 25104 9937 1 11 . 1 1 154 154 LYS HA H 154 4.594 4.594 4.556 0.038 25104 9938 1 11 . 1 1 154 154 LYS C C 154 175.436 175.436 175.874 -0.438 25104 9939 1 11 . 1 1 154 154 LYS CA C 154 54.578 54.578 53.431 1.147 25104 9940 1 11 . 1 1 154 154 LYS CB C 154 38.443 38.443 34.147 4.296 25104 9941 1 11 . 1 1 154 154 LYS H H 154 7.566 7.566 7.349 0.217 25104 9942 1 11 . 1 1 155 155 LYS N N 155 121.869 121.869 123.118 -1.249 25104 9943 1 11 . 1 1 155 155 LYS HA H 155 4.348 4.348 4.458 -0.110 25104 9944 1 11 . 1 1 155 155 LYS C C 155 176.946 176.946 175.707 1.239 25104 9945 1 11 . 1 1 155 155 LYS CA C 155 56.325 56.325 54.816 1.508 25104 9946 1 11 . 1 1 155 155 LYS CB C 155 32.136 32.136 30.872 1.264 25104 9947 1 11 . 1 1 155 155 LYS H H 155 8.820 8.820 8.379 0.441 25104 9948 1 11 . 1 1 156 156 ILE N N 156 134.145 134.145 127.066 7.079 25104 9949 1 11 . 1 1 156 156 ILE HA H 156 5.134 5.134 4.766 0.368 25104 9950 1 11 . 1 1 156 156 ILE C C 156 177.451 177.451 175.705 1.746 25104 9951 1 11 . 1 1 156 156 ILE CA C 156 59.538 59.538 60.733 -1.195 25104 9952 1 11 . 1 1 156 156 ILE CB C 156 37.167 37.167 37.604 -0.437 25104 9953 1 11 . 1 1 156 156 ILE H H 156 9.609 9.609 7.969 1.640 25104 9954 1 11 . 1 1 157 157 THR N N 157 117.447 117.447 119.267 -1.820 25104 9955 1 11 . 1 1 157 157 THR HA H 157 5.311 5.311 5.219 0.092 25104 9956 1 11 . 1 1 157 157 THR C C 157 174.572 174.572 174.542 0.030 25104 9957 1 11 . 1 1 157 157 THR CA C 157 59.679 59.679 59.321 0.358 25104 9958 1 11 . 1 1 157 157 THR CB C 157 72.708 72.708 71.364 1.344 25104 9959 1 11 . 1 1 157 157 THR H H 157 9.281 9.281 8.685 0.596 25104 9960 1 11 . 1 1 158 158 ILE N N 158 121.950 121.950 125.430 -3.480 25104 9961 1 11 . 1 1 158 158 ILE HA H 158 4.293 4.293 4.290 0.003 25104 9962 1 11 . 1 1 158 158 ILE C C 158 175.631 175.631 176.619 -0.988 25104 9963 1 11 . 1 1 158 158 ILE CA C 158 60.992 60.992 62.176 -1.184 25104 9964 1 11 . 1 1 158 158 ILE CB C 158 36.826 36.826 36.533 0.293 25104 9965 1 11 . 1 1 158 158 ILE H H 158 8.624 8.624 8.270 0.354 25104 9966 1 11 . 1 1 159 159 ALA N N 159 132.727 132.727 131.201 1.526 25104 9967 1 11 . 1 1 159 159 ALA HA H 159 4.179 4.179 4.072 0.107 25104 9968 1 11 . 1 1 159 159 ALA C C 159 179.489 179.489 177.093 2.396 25104 9969 1 11 . 1 1 159 159 ALA CA C 159 54.243 54.243 54.636 -0.393 25104 9970 1 11 . 1 1 159 159 ALA CB C 159 18.804 18.804 19.327 -0.523 25104 9971 1 11 . 1 1 159 159 ALA H H 159 8.910 8.910 8.654 0.256 25104 9972 1 11 . 1 1 160 160 ASP N N 160 111.561 111.561 112.696 -1.135 25104 9973 1 11 . 1 1 160 160 ASP HA H 160 4.937 4.937 4.940 -0.003 25104 9974 1 11 . 1 1 160 160 ASP C C 160 173.920 173.920 174.440 -0.520 25104 9975 1 11 . 1 1 160 160 ASP CA C 160 52.873 52.873 53.429 -0.556 25104 9976 1 11 . 1 1 160 160 ASP CB C 160 43.620 43.620 43.314 0.306 25104 9977 1 11 . 1 1 160 160 ASP H H 160 8.107 8.107 7.655 0.452 25104 9978 1 11 . 1 1 161 161 CYS N N 161 116.145 116.145 117.097 -0.952 25104 9979 1 11 . 1 1 161 161 CYS HA H 161 4.626 4.626 5.715 -1.089 25104 9980 1 11 . 1 1 161 161 CYS C C 161 173.426 173.426 174.546 -1.120 25104 9981 1 11 . 1 1 161 161 CYS CA C 161 55.518 55.518 56.292 -0.774 25104 9982 1 11 . 1 1 161 161 CYS CB C 161 31.463 31.463 31.964 -0.501 25104 9983 1 11 . 1 1 161 161 CYS H H 161 8.640 8.640 8.581 0.059 25104 9984 1 11 . 1 1 162 162 GLY N N 162 104.114 104.114 107.922 -3.808 25104 9985 1 11 . 1 1 162 162 GLY C C 162 171.116 171.116 173.911 -2.795 25104 9986 1 11 . 1 1 162 162 GLY CA C 162 45.436 45.436 44.752 0.684 25104 9987 1 11 . 1 1 162 162 GLY H H 162 6.889 6.889 8.334 -1.445 25104 9988 1 11 . 1 1 163 163 GLN N N 163 121.022 121.022 119.812 1.210 25104 9989 1 11 . 1 1 163 163 GLN HA H 163 5.150 5.150 4.143 1.007 25104 9990 1 11 . 1 1 163 163 GLN C C 163 176.548 176.548 175.275 1.273 25104 9991 1 11 . 1 1 163 163 GLN CA C 163 54.794 54.794 56.325 -1.531 25104 9992 1 11 . 1 1 163 163 GLN CB C 163 30.765 30.765 28.784 1.981 25104 9993 1 11 . 1 1 163 163 GLN H H 163 9.062 9.062 8.139 0.923 25104 9994 1 11 . 1 1 164 164 LEU N N 164 126.034 126.034 128.542 -2.508 25104 9995 1 11 . 1 1 164 164 LEU HA H 164 4.641 4.641 4.165 0.476 25104 9996 1 11 . 1 1 164 164 LEU C C 164 177.108 177.108 175.857 1.251 25104 9997 1 11 . 1 1 164 164 LEU CA C 164 55.036 55.036 54.864 0.172 25104 9998 1 11 . 1 1 164 164 LEU CB C 164 43.560 43.560 40.081 3.479 25104 9999 1 11 . 1 1 164 164 LEU H H 164 8.639 8.639 8.521 0.118 25104 10000 1 12 . 1 1 2 2 VAL N N 2 111.261 111.261 120.933 -9.672 25104 10001 1 12 . 1 1 2 2 VAL HA H 2 4.126 4.126 3.945 0.181 25104 10002 1 12 . 1 1 2 2 VAL C C 2 176.404 176.404 175.223 1.181 25104 10003 1 12 . 1 1 2 2 VAL CA C 2 61.417 61.417 62.884 -1.467 25104 10004 1 12 . 1 1 2 2 VAL CB C 2 33.763 33.763 32.025 1.738 25104 10005 1 12 . 1 1 2 2 VAL H H 2 8.447 8.447 8.178 0.269 25104 10006 1 12 . 1 1 3 3 ASN N N 3 126.056 126.056 119.365 6.691 25104 10007 1 12 . 1 1 3 3 ASN HA H 3 5.205 5.205 4.770 0.435 25104 10008 1 12 . 1 1 3 3 ASN CA C 3 50.987 50.987 52.252 -1.264 25104 10009 1 12 . 1 1 3 3 ASN CB C 3 38.031 38.031 38.270 -0.239 25104 10010 1 12 . 1 1 3 3 ASN H H 3 8.666 8.666 8.014 0.652 25104 10011 1 12 . 1 1 4 4 PRO HA H 4 4.818 4.818 4.378 0.440 25104 10012 1 12 . 1 1 4 4 PRO C C 4 176.242 176.242 175.939 0.303 25104 10013 1 12 . 1 1 4 4 PRO CA C 4 62.832 62.832 63.169 -0.337 25104 10014 1 12 . 1 1 4 4 PRO CB C 4 33.162 33.162 31.800 1.362 25104 10015 1 12 . 1 1 5 5 THR N N 5 115.265 115.265 121.635 -6.370 25104 10016 1 12 . 1 1 5 5 THR HA H 5 5.759 5.759 4.971 0.788 25104 10017 1 12 . 1 1 5 5 THR C C 5 176.483 176.483 174.138 2.345 25104 10018 1 12 . 1 1 5 5 THR CA C 5 60.867 60.867 62.001 -1.133 25104 10019 1 12 . 1 1 5 5 THR CB C 5 71.050 71.050 70.130 0.920 25104 10020 1 12 . 1 1 5 5 THR H H 5 8.787 8.787 8.180 0.607 25104 10021 1 12 . 1 1 6 6 VAL N N 6 120.640 120.640 123.027 -2.387 25104 10022 1 12 . 1 1 6 6 VAL HA H 6 5.379 5.379 4.464 0.915 25104 10023 1 12 . 1 1 6 6 VAL C C 6 174.710 174.710 173.895 0.815 25104 10024 1 12 . 1 1 6 6 VAL CA C 6 58.881 58.881 60.445 -1.564 25104 10025 1 12 . 1 1 6 6 VAL CB C 6 36.180 36.180 33.004 3.176 25104 10026 1 12 . 1 1 6 6 VAL H H 6 8.805 8.805 8.717 0.088 25104 10027 1 12 . 1 1 7 7 PHE N N 7 119.359 119.359 127.923 -8.564 25104 10028 1 12 . 1 1 7 7 PHE HA H 7 5.948 5.948 5.221 0.727 25104 10029 1 12 . 1 1 7 7 PHE C C 7 173.634 173.634 173.568 0.066 25104 10030 1 12 . 1 1 7 7 PHE CA C 7 55.925 55.925 55.849 0.076 25104 10031 1 12 . 1 1 7 7 PHE CB C 7 43.166 43.166 41.918 1.248 25104 10032 1 12 . 1 1 7 7 PHE H H 7 8.995 8.995 8.377 0.618 25104 10033 1 12 . 1 1 8 8 PHE N N 8 117.097 117.097 123.609 -6.512 25104 10034 1 12 . 1 1 8 8 PHE HA H 8 5.367 5.367 5.108 0.259 25104 10035 1 12 . 1 1 8 8 PHE C C 8 176.000 176.000 174.009 1.991 25104 10036 1 12 . 1 1 8 8 PHE CA C 8 53.460 53.460 55.267 -1.807 25104 10037 1 12 . 1 1 8 8 PHE CB C 8 42.791 42.791 43.386 -0.595 25104 10038 1 12 . 1 1 8 8 PHE H H 8 9.571 9.571 8.561 1.010 25104 10039 1 12 . 1 1 9 9 ASP N N 9 124.287 124.287 122.128 2.159 25104 10040 1 12 . 1 1 9 9 ASP HA H 9 5.585 5.585 5.137 0.448 25104 10041 1 12 . 1 1 9 9 ASP C C 9 176.286 176.286 175.047 1.239 25104 10042 1 12 . 1 1 9 9 ASP CA C 9 54.831 54.831 53.713 1.118 25104 10043 1 12 . 1 1 9 9 ASP CB C 9 41.366 41.366 42.581 -1.215 25104 10044 1 12 . 1 1 9 9 ASP H H 9 9.301 9.301 8.604 0.697 25104 10045 1 12 . 1 1 10 10 ILE N N 10 124.286 124.286 123.969 0.317 25104 10046 1 12 . 1 1 10 10 ILE HA H 10 5.213 5.213 4.182 1.031 25104 10047 1 12 . 1 1 10 10 ILE C C 10 177.031 177.031 174.690 2.341 25104 10048 1 12 . 1 1 10 10 ILE CA C 10 58.233 58.233 59.732 -1.499 25104 10049 1 12 . 1 1 10 10 ILE CB C 10 37.769 37.769 37.113 0.656 25104 10050 1 12 . 1 1 10 10 ILE H H 10 9.059 9.059 8.340 0.719 25104 10051 1 12 . 1 1 11 11 ALA N N 11 132.503 132.503 130.961 1.542 25104 10052 1 12 . 1 1 11 11 ALA HA H 11 5.216 5.216 5.085 0.131 25104 10053 1 12 . 1 1 11 11 ALA C C 11 175.928 175.928 175.488 0.440 25104 10054 1 12 . 1 1 11 11 ALA CA C 11 50.948 50.948 50.273 0.675 25104 10055 1 12 . 1 1 11 11 ALA CB C 11 22.804 22.804 22.616 0.188 25104 10056 1 12 . 1 1 11 11 ALA H H 11 9.642 9.642 8.647 0.995 25104 10057 1 12 . 1 1 12 12 VAL N N 12 118.551 118.551 122.831 -4.280 25104 10058 1 12 . 1 1 12 12 VAL HA H 12 4.578 4.578 4.075 0.503 25104 10059 1 12 . 1 1 12 12 VAL C C 12 177.347 177.347 175.715 1.632 25104 10060 1 12 . 1 1 12 12 VAL CA C 12 60.457 60.457 61.508 -1.051 25104 10061 1 12 . 1 1 12 12 VAL CB C 12 33.301 33.301 31.752 1.549 25104 10062 1 12 . 1 1 12 12 VAL H H 12 8.984 8.984 8.499 0.485 25104 10063 1 12 . 1 1 13 13 ASP N N 13 131.009 131.009 128.499 2.510 25104 10064 1 12 . 1 1 13 13 ASP HA H 13 4.359 4.359 4.258 0.101 25104 10065 1 12 . 1 1 13 13 ASP C C 13 176.795 176.795 176.713 0.082 25104 10066 1 12 . 1 1 13 13 ASP CA C 13 55.880 55.880 55.343 0.537 25104 10067 1 12 . 1 1 13 13 ASP CB C 13 39.999 39.999 39.095 0.904 25104 10068 1 12 . 1 1 13 13 ASP H H 13 9.868 9.868 8.812 1.056 25104 10069 1 12 . 1 1 14 14 GLY N N 14 101.848 101.848 104.313 -2.465 25104 10070 1 12 . 1 1 14 14 GLY C C 14 174.700 174.700 174.225 0.475 25104 10071 1 12 . 1 1 14 14 GLY CA C 14 45.303 45.303 45.387 -0.084 25104 10072 1 12 . 1 1 14 14 GLY H H 14 8.578 8.578 8.076 0.502 25104 10073 1 12 . 1 1 15 15 GLU N N 15 123.331 123.331 122.220 1.111 25104 10074 1 12 . 1 1 15 15 GLU HA H 15 4.891 4.891 4.738 0.153 25104 10075 1 12 . 1 1 15 15 GLU CA C 15 52.932 52.932 53.061 -0.129 25104 10076 1 12 . 1 1 15 15 GLU CB C 15 30.468 30.468 29.433 1.035 25104 10077 1 12 . 1 1 15 15 GLU H H 15 8.086 8.086 7.584 0.502 25104 10078 1 12 . 1 1 16 16 PRO HA H 16 4.240 4.240 4.356 -0.116 25104 10079 1 12 . 1 1 16 16 PRO C C 16 177.072 177.072 176.175 0.897 25104 10080 1 12 . 1 1 16 16 PRO CA C 16 64.838 64.838 63.846 0.992 25104 10081 1 12 . 1 1 16 16 PRO CB C 16 32.368 32.368 31.608 0.760 25104 10082 1 12 . 1 1 17 17 LEU N N 17 126.051 126.051 127.639 -1.588 25104 10083 1 12 . 1 1 17 17 LEU HA H 17 4.739 4.739 4.257 0.482 25104 10084 1 12 . 1 1 17 17 LEU C C 17 176.975 176.975 177.059 -0.084 25104 10085 1 12 . 1 1 17 17 LEU CA C 17 55.511 55.511 55.836 -0.325 25104 10086 1 12 . 1 1 17 17 LEU CB C 17 44.257 44.257 42.999 1.258 25104 10087 1 12 . 1 1 17 17 LEU H H 17 9.237 9.237 8.494 0.743 25104 10088 1 12 . 1 1 18 18 GLY N N 18 102.496 102.496 104.032 -1.536 25104 10089 1 12 . 1 1 18 18 GLY C C 18 170.997 170.997 171.722 -0.725 25104 10090 1 12 . 1 1 18 18 GLY CA C 18 44.713 44.713 45.040 -0.327 25104 10091 1 12 . 1 1 18 18 GLY H H 18 7.303 7.303 7.663 -0.360 25104 10092 1 12 . 1 1 19 19 ARG N N 19 121.330 121.330 119.263 2.067 25104 10093 1 12 . 1 1 19 19 ARG HA H 19 5.665 5.665 5.009 0.656 25104 10094 1 12 . 1 1 19 19 ARG C C 19 176.011 176.011 175.077 0.934 25104 10095 1 12 . 1 1 19 19 ARG CA C 19 55.106 55.106 55.274 -0.168 25104 10096 1 12 . 1 1 19 19 ARG CB C 19 33.587 33.587 33.608 -0.021 25104 10097 1 12 . 1 1 19 19 ARG H H 19 8.348 8.348 8.360 -0.012 25104 10098 1 12 . 1 1 20 20 VAL N N 20 126.859 126.859 122.559 4.300 25104 10099 1 12 . 1 1 20 20 VAL HA H 20 4.650 4.650 4.617 0.033 25104 10100 1 12 . 1 1 20 20 VAL C C 20 174.836 174.836 174.170 0.666 25104 10101 1 12 . 1 1 20 20 VAL CA C 20 59.966 59.966 60.415 -0.449 25104 10102 1 12 . 1 1 20 20 VAL CB C 20 35.034 35.034 35.494 -0.460 25104 10103 1 12 . 1 1 20 20 VAL H H 20 9.400 9.400 8.462 0.938 25104 10104 1 12 . 1 1 21 21 SER N N 21 120.319 120.319 119.613 0.706 25104 10105 1 12 . 1 1 21 21 SER HA H 21 5.565 5.565 5.196 0.369 25104 10106 1 12 . 1 1 21 21 SER C C 21 174.694 174.694 173.072 1.622 25104 10107 1 12 . 1 1 21 21 SER CA C 21 55.462 55.462 57.204 -1.742 25104 10108 1 12 . 1 1 21 21 SER CB C 21 66.546 66.546 65.514 1.032 25104 10109 1 12 . 1 1 21 21 SER H H 21 8.791 8.791 8.310 0.481 25104 10110 1 12 . 1 1 22 22 PHE N N 22 119.239 119.239 124.140 -4.901 25104 10111 1 12 . 1 1 22 22 PHE HA H 22 5.279 5.279 5.035 0.244 25104 10112 1 12 . 1 1 22 22 PHE C C 22 176.190 176.190 175.140 1.050 25104 10113 1 12 . 1 1 22 22 PHE CA C 22 55.882 55.882 56.478 -0.596 25104 10114 1 12 . 1 1 22 22 PHE CB C 22 42.673 42.673 41.007 1.666 25104 10115 1 12 . 1 1 22 22 PHE H H 22 9.553 9.553 9.264 0.289 25104 10116 1 12 . 1 1 23 23 GLU N N 23 123.308 123.308 124.756 -1.448 25104 10117 1 12 . 1 1 23 23 GLU HA H 23 4.797 4.797 4.287 0.510 25104 10118 1 12 . 1 1 23 23 GLU C C 23 175.673 175.673 175.256 0.417 25104 10119 1 12 . 1 1 23 23 GLU CA C 23 55.119 55.119 55.794 -0.675 25104 10120 1 12 . 1 1 23 23 GLU CB C 23 32.058 32.058 30.185 1.873 25104 10121 1 12 . 1 1 23 23 GLU H H 23 8.791 8.791 8.816 -0.025 25104 10122 1 12 . 1 1 24 24 LEU N N 24 122.539 122.539 127.310 -4.771 25104 10123 1 12 . 1 1 24 24 LEU HA H 24 4.749 4.749 4.617 0.132 25104 10124 1 12 . 1 1 24 24 LEU C C 24 178.229 178.229 177.072 1.157 25104 10125 1 12 . 1 1 24 24 LEU CA C 24 51.899 51.899 53.589 -1.690 25104 10126 1 12 . 1 1 24 24 LEU CB C 24 43.248 43.248 42.745 0.503 25104 10127 1 12 . 1 1 24 24 LEU H H 24 8.198 8.198 8.409 -0.211 25104 10128 1 12 . 1 1 25 25 PHE N N 25 124.715 124.715 123.217 1.498 25104 10129 1 12 . 1 1 25 25 PHE HA H 25 5.171 5.171 4.665 0.506 25104 10130 1 12 . 1 1 25 25 PHE C C 25 177.485 177.485 175.581 1.904 25104 10131 1 12 . 1 1 25 25 PHE CA C 25 54.699 54.699 57.647 -2.948 25104 10132 1 12 . 1 1 25 25 PHE CB C 25 36.100 36.100 36.789 -0.689 25104 10133 1 12 . 1 1 25 25 PHE H H 25 8.864 8.864 8.926 -0.062 25104 10134 1 12 . 1 1 26 26 ALA N N 26 128.663 128.663 125.162 3.501 25104 10135 1 12 . 1 1 26 26 ALA HA H 26 3.838 3.838 4.252 -0.414 25104 10136 1 12 . 1 1 26 26 ALA C C 26 177.291 177.291 177.298 -0.007 25104 10137 1 12 . 1 1 26 26 ALA CA C 26 54.316 54.316 53.887 0.429 25104 10138 1 12 . 1 1 26 26 ALA CB C 26 19.002 19.002 18.438 0.564 25104 10139 1 12 . 1 1 26 26 ALA H H 26 8.480 8.480 8.048 0.432 25104 10140 1 12 . 1 1 27 27 ASP N N 27 114.191 114.191 116.533 -2.342 25104 10141 1 12 . 1 1 27 27 ASP HA H 27 4.197 4.197 4.534 -0.337 25104 10142 1 12 . 1 1 27 27 ASP C C 27 177.976 177.976 176.987 0.989 25104 10143 1 12 . 1 1 27 27 ASP CA C 27 55.410 55.410 55.205 0.206 25104 10144 1 12 . 1 1 27 27 ASP CB C 27 38.821 38.821 40.479 -1.658 25104 10145 1 12 . 1 1 27 27 ASP H H 27 9.145 9.145 8.352 0.793 25104 10146 1 12 . 1 1 28 28 LYS N N 28 118.107 118.107 118.994 -0.887 25104 10147 1 12 . 1 1 28 28 LYS HA H 28 4.599 4.599 4.450 0.149 25104 10148 1 12 . 1 1 28 28 LYS C C 28 177.840 177.840 177.281 0.559 25104 10149 1 12 . 1 1 28 28 LYS CA C 28 56.262 56.262 57.542 -1.280 25104 10150 1 12 . 1 1 28 28 LYS CB C 28 36.006 36.006 34.814 1.192 25104 10151 1 12 . 1 1 28 28 LYS H H 28 7.569 7.569 7.662 -0.093 25104 10152 1 12 . 1 1 29 29 VAL N N 29 114.551 114.551 112.775 1.776 25104 10153 1 12 . 1 1 29 29 VAL HA H 29 4.487 4.487 4.701 -0.214 25104 10154 1 12 . 1 1 29 29 VAL CA C 29 58.309 58.309 59.005 -0.697 25104 10155 1 12 . 1 1 29 29 VAL CB C 29 32.078 32.078 32.422 -0.344 25104 10156 1 12 . 1 1 29 29 VAL H H 29 8.364 8.364 8.077 0.287 25104 10157 1 12 . 1 1 30 30 PRO HA H 30 4.450 4.450 4.260 0.190 25104 10158 1 12 . 1 1 30 30 PRO C C 30 181.892 181.892 178.381 3.511 25104 10159 1 12 . 1 1 30 30 PRO CA C 30 66.227 66.227 65.568 0.659 25104 10160 1 12 . 1 1 30 30 PRO CB C 30 31.547 31.547 31.610 -0.063 25104 10161 1 12 . 1 1 31 31 LYS N N 31 123.785 123.785 119.343 4.442 25104 10162 1 12 . 1 1 31 31 LYS HA H 31 4.105 4.105 4.081 0.024 25104 10163 1 12 . 1 1 31 31 LYS C C 31 182.749 182.749 178.491 4.258 25104 10164 1 12 . 1 1 31 31 LYS CA C 31 61.057 61.057 60.073 0.984 25104 10165 1 12 . 1 1 31 31 LYS CB C 31 32.468 32.468 31.769 0.699 25104 10166 1 12 . 1 1 31 31 LYS H H 31 10.684 10.684 8.325 2.359 25104 10167 1 12 . 1 1 32 32 THR N N 32 124.002 124.002 115.359 8.643 25104 10168 1 12 . 1 1 32 32 THR HA H 32 4.034 4.034 4.199 -0.165 25104 10169 1 12 . 1 1 32 32 THR C C 32 178.673 178.673 176.147 2.526 25104 10170 1 12 . 1 1 32 32 THR CA C 32 67.526 67.526 65.926 1.600 25104 10171 1 12 . 1 1 32 32 THR CB C 32 68.705 68.705 68.780 -0.075 25104 10172 1 12 . 1 1 32 32 THR H H 32 10.320 10.320 7.707 2.613 25104 10173 1 12 . 1 1 33 33 ALA N N 33 125.616 125.616 123.720 1.896 25104 10174 1 12 . 1 1 33 33 ALA HA H 33 4.092 4.092 4.322 -0.230 25104 10175 1 12 . 1 1 33 33 ALA C C 33 179.174 179.174 178.946 0.228 25104 10176 1 12 . 1 1 33 33 ALA CA C 33 55.972 55.972 55.277 0.695 25104 10177 1 12 . 1 1 33 33 ALA CB C 33 18.414 18.414 18.200 0.214 25104 10178 1 12 . 1 1 33 33 ALA H H 33 9.311 9.311 8.199 1.112 25104 10179 1 12 . 1 1 34 34 GLU N N 34 117.376 117.376 118.954 -1.578 25104 10180 1 12 . 1 1 34 34 GLU HA H 34 4.556 4.556 3.980 0.576 25104 10181 1 12 . 1 1 34 34 GLU C C 34 178.418 178.418 178.570 -0.152 25104 10182 1 12 . 1 1 34 34 GLU CA C 34 58.238 58.238 59.298 -1.060 25104 10183 1 12 . 1 1 34 34 GLU CB C 34 28.181 28.181 29.632 -1.451 25104 10184 1 12 . 1 1 34 34 GLU H H 34 8.069 8.069 7.902 0.167 25104 10185 1 12 . 1 1 35 35 ASN N N 35 115.722 115.722 118.915 -3.193 25104 10186 1 12 . 1 1 35 35 ASN HA H 35 4.108 4.108 4.314 -0.206 25104 10187 1 12 . 1 1 35 35 ASN C C 35 175.568 175.568 177.186 -1.618 25104 10188 1 12 . 1 1 35 35 ASN CA C 35 56.768 56.768 56.093 0.675 25104 10189 1 12 . 1 1 35 35 ASN CB C 35 39.644 39.644 38.243 1.401 25104 10190 1 12 . 1 1 35 35 ASN H H 35 7.193 7.193 7.817 -0.624 25104 10191 1 12 . 1 1 36 36 PHE N N 36 117.929 117.929 120.336 -2.407 25104 10192 1 12 . 1 1 36 36 PHE HA H 36 4.158 4.158 4.014 0.144 25104 10193 1 12 . 1 1 36 36 PHE C C 36 179.707 179.707 177.475 2.232 25104 10194 1 12 . 1 1 36 36 PHE CA C 36 61.589 61.589 61.180 0.409 25104 10195 1 12 . 1 1 36 36 PHE CB C 36 39.948 39.948 39.027 0.921 25104 10196 1 12 . 1 1 36 36 PHE H H 36 7.065 7.065 7.546 -0.481 25104 10197 1 12 . 1 1 37 37 ARG N N 37 121.048 121.048 120.125 0.923 25104 10198 1 12 . 1 1 37 37 ARG HA H 37 3.685 3.685 3.908 -0.223 25104 10199 1 12 . 1 1 37 37 ARG C C 37 179.000 179.000 178.179 0.821 25104 10200 1 12 . 1 1 37 37 ARG CA C 37 60.515 60.515 59.651 0.864 25104 10201 1 12 . 1 1 37 37 ARG CB C 37 29.880 29.880 30.184 -0.304 25104 10202 1 12 . 1 1 37 37 ARG H H 37 8.975 8.975 8.133 0.842 25104 10203 1 12 . 1 1 38 38 ALA N N 38 119.232 119.232 121.949 -2.717 25104 10204 1 12 . 1 1 38 38 ALA HA H 38 4.126 4.126 4.422 -0.296 25104 10205 1 12 . 1 1 38 38 ALA C C 38 183.365 183.365 179.828 3.537 25104 10206 1 12 . 1 1 38 38 ALA CA C 38 54.477 54.477 54.366 0.111 25104 10207 1 12 . 1 1 38 38 ALA CB C 38 18.405 18.405 18.636 -0.231 25104 10208 1 12 . 1 1 38 38 ALA H H 38 8.741 8.741 7.975 0.766 25104 10209 1 12 . 1 1 39 39 LEU N N 39 120.723 120.723 118.913 1.810 25104 10210 1 12 . 1 1 39 39 LEU HA H 39 3.800 3.800 4.151 -0.351 25104 10211 1 12 . 1 1 39 39 LEU C C 39 180.481 180.481 178.870 1.611 25104 10212 1 12 . 1 1 39 39 LEU CA C 39 57.268 57.268 57.844 -0.576 25104 10213 1 12 . 1 1 39 39 LEU CB C 39 41.218 41.218 41.474 -0.256 25104 10214 1 12 . 1 1 39 39 LEU H H 39 8.212 8.212 8.117 0.095 25104 10215 1 12 . 1 1 40 40 SER N N 40 119.210 119.210 114.395 4.815 25104 10216 1 12 . 1 1 40 40 SER HA H 40 4.341 4.341 4.266 0.075 25104 10217 1 12 . 1 1 40 40 SER C C 40 175.380 175.380 176.343 -0.963 25104 10218 1 12 . 1 1 40 40 SER CA C 40 62.924 62.924 61.088 1.836 25104 10219 1 12 . 1 1 40 40 SER CB C 40 62.992 62.992 63.077 -0.085 25104 10220 1 12 . 1 1 40 40 SER H H 40 7.938 7.938 8.119 -0.181 25104 10221 1 12 . 1 1 41 41 THR N N 41 108.556 108.556 111.609 -3.053 25104 10222 1 12 . 1 1 41 41 THR HA H 41 4.508 4.508 4.327 0.181 25104 10223 1 12 . 1 1 41 41 THR C C 41 179.088 179.088 175.892 3.196 25104 10224 1 12 . 1 1 41 41 THR CA C 41 62.492 62.492 63.263 -0.770 25104 10225 1 12 . 1 1 41 41 THR CB C 41 69.663 69.663 69.665 -0.002 25104 10226 1 12 . 1 1 41 41 THR H H 41 8.017 8.017 7.827 0.190 25104 10227 1 12 . 1 1 42 42 GLY N N 42 108.433 108.433 110.071 -1.638 25104 10228 1 12 . 1 1 42 42 GLY C C 42 178.676 178.676 176.072 2.604 25104 10229 1 12 . 1 1 42 42 GLY CA C 42 45.840 45.840 45.415 0.425 25104 10230 1 12 . 1 1 42 42 GLY H H 42 7.621 7.621 7.873 -0.252 25104 10231 1 12 . 1 1 43 43 GLU N N 43 118.777 118.777 120.638 -1.861 25104 10232 1 12 . 1 1 43 43 GLU HA H 43 4.171 4.171 4.120 0.051 25104 10233 1 12 . 1 1 43 43 GLU C C 43 177.458 177.458 177.478 -0.020 25104 10234 1 12 . 1 1 43 43 GLU CA C 43 58.580 58.580 58.064 0.516 25104 10235 1 12 . 1 1 43 43 GLU H H 43 8.049 8.049 7.999 0.050 25104 10236 1 12 . 1 1 44 44 LYS N N 44 118.526 118.526 116.088 2.438 25104 10237 1 12 . 1 1 44 44 LYS HA H 44 4.342 4.342 4.339 0.003 25104 10238 1 12 . 1 1 44 44 LYS C C 44 177.590 177.590 176.726 0.864 25104 10239 1 12 . 1 1 44 44 LYS CA C 44 54.405 54.405 54.428 -0.023 25104 10240 1 12 . 1 1 44 44 LYS CB C 44 30.488 30.488 32.189 -1.701 25104 10241 1 12 . 1 1 44 44 LYS H H 44 9.123 9.123 7.349 1.774 25104 10242 1 12 . 1 1 45 45 GLY N N 45 105.553 105.553 107.958 -2.405 25104 10243 1 12 . 1 1 45 45 GLY C C 45 173.518 173.518 175.526 -2.008 25104 10244 1 12 . 1 1 45 45 GLY CA C 45 44.612 44.612 46.265 -1.653 25104 10245 1 12 . 1 1 45 45 GLY H H 45 7.970 7.970 7.763 0.207 25104 10246 1 12 . 1 1 46 46 PHE N N 46 113.753 113.753 120.429 -6.676 25104 10247 1 12 . 1 1 46 46 PHE HA H 46 4.678 4.678 4.246 0.432 25104 10248 1 12 . 1 1 46 46 PHE C C 46 173.684 173.684 176.414 -2.730 25104 10249 1 12 . 1 1 46 46 PHE CA C 46 54.077 54.077 57.997 -3.920 25104 10250 1 12 . 1 1 46 46 PHE CB C 46 39.658 39.658 38.668 0.990 25104 10251 1 12 . 1 1 46 46 PHE H H 46 6.469 6.469 7.508 -1.039 25104 10252 1 12 . 1 1 47 47 GLY N N 47 104.722 104.722 106.963 -2.241 25104 10253 1 12 . 1 1 47 47 GLY C C 47 172.446 172.446 175.213 -2.767 25104 10254 1 12 . 1 1 47 47 GLY CA C 47 45.601 45.601 45.215 0.386 25104 10255 1 12 . 1 1 47 47 GLY H H 47 7.756 7.756 7.999 -0.243 25104 10256 1 12 . 1 1 48 48 TYR N N 48 113.796 113.796 120.872 -7.076 25104 10257 1 12 . 1 1 48 48 TYR HA H 48 4.270 4.270 4.306 -0.036 25104 10258 1 12 . 1 1 48 48 TYR C C 48 178.924 178.924 176.144 2.780 25104 10259 1 12 . 1 1 48 48 TYR CA C 48 57.365 57.365 58.845 -1.480 25104 10260 1 12 . 1 1 48 48 TYR CB C 48 38.832 38.832 37.519 1.313 25104 10261 1 12 . 1 1 48 48 TYR H H 48 6.948 6.948 8.347 -1.399 25104 10262 1 12 . 1 1 49 49 LYS N N 49 124.858 124.858 125.710 -0.852 25104 10263 1 12 . 1 1 49 49 LYS HA H 49 3.655 3.655 4.446 -0.791 25104 10264 1 12 . 1 1 49 49 LYS C C 49 178.388 178.388 176.728 1.660 25104 10265 1 12 . 1 1 49 49 LYS CA C 49 61.018 61.018 54.954 6.064 25104 10266 1 12 . 1 1 49 49 LYS CB C 49 31.484 31.484 33.481 -1.997 25104 10267 1 12 . 1 1 49 49 LYS H H 49 8.493 8.493 7.840 0.653 25104 10268 1 12 . 1 1 50 50 GLY N N 50 117.833 117.833 115.273 2.560 25104 10269 1 12 . 1 1 50 50 GLY C C 50 175.259 175.259 174.628 0.631 25104 10270 1 12 . 1 1 50 50 GLY CA C 50 45.495 45.495 45.228 0.267 25104 10271 1 12 . 1 1 50 50 GLY H H 50 9.509 9.509 8.430 1.079 25104 10272 1 12 . 1 1 51 51 SER N N 51 116.413 116.413 115.580 0.833 25104 10273 1 12 . 1 1 51 51 SER HA H 51 4.516 4.516 4.459 0.057 25104 10274 1 12 . 1 1 51 51 SER C C 51 172.808 172.808 175.032 -2.224 25104 10275 1 12 . 1 1 51 51 SER CA C 51 59.043 59.043 58.073 0.970 25104 10276 1 12 . 1 1 51 51 SER CB C 51 63.781 63.781 63.680 0.101 25104 10277 1 12 . 1 1 51 51 SER H H 51 8.436 8.436 8.130 0.306 25104 10278 1 12 . 1 1 52 52 CYS N N 52 115.156 115.156 124.002 -8.846 25104 10279 1 12 . 1 1 52 52 CYS HA H 52 5.932 5.932 5.169 0.763 25104 10280 1 12 . 1 1 52 52 CYS C C 52 177.437 177.437 174.738 2.699 25104 10281 1 12 . 1 1 52 52 CYS CA C 52 55.998 55.998 56.746 -0.748 25104 10282 1 12 . 1 1 52 52 CYS CB C 52 31.953 31.953 29.413 2.540 25104 10283 1 12 . 1 1 52 52 CYS H H 52 9.875 9.875 8.176 1.699 25104 10284 1 12 . 1 1 53 53 PHE N N 53 123.068 123.068 123.399 -0.331 25104 10285 1 12 . 1 1 53 53 PHE HA H 53 4.899 4.899 4.739 0.160 25104 10286 1 12 . 1 1 53 53 PHE C C 53 175.886 175.886 176.223 -0.337 25104 10287 1 12 . 1 1 53 53 PHE CA C 53 58.389 58.389 57.560 0.829 25104 10288 1 12 . 1 1 53 53 PHE CB C 53 39.535 39.535 37.761 1.774 25104 10289 1 12 . 1 1 53 53 PHE H H 53 8.732 8.732 9.246 -0.514 25104 10290 1 12 . 1 1 54 54 HIS N N 54 120.227 120.227 121.932 -1.705 25104 10291 1 12 . 1 1 54 54 HIS HA H 54 4.763 4.763 4.570 0.193 25104 10292 1 12 . 1 1 54 54 HIS C C 54 176.409 176.409 174.724 1.685 25104 10293 1 12 . 1 1 54 54 HIS CA C 54 57.323 57.323 56.937 0.386 25104 10294 1 12 . 1 1 54 54 HIS CB C 54 31.542 31.542 30.677 0.865 25104 10295 1 12 . 1 1 54 54 HIS H H 54 7.696 7.696 8.437 -0.741 25104 10296 1 12 . 1 1 55 55 ARG N N 55 123.202 123.202 120.099 3.103 25104 10297 1 12 . 1 1 55 55 ARG HA H 55 5.118 5.118 4.934 0.184 25104 10298 1 12 . 1 1 55 55 ARG C C 55 174.511 174.511 173.815 0.696 25104 10299 1 12 . 1 1 55 55 ARG CA C 55 54.913 54.913 54.574 0.339 25104 10300 1 12 . 1 1 55 55 ARG CB C 55 33.805 33.805 31.011 2.794 25104 10301 1 12 . 1 1 55 55 ARG H H 55 7.089 7.089 6.890 0.199 25104 10302 1 12 . 1 1 56 56 ILE N N 56 126.621 126.621 126.057 0.564 25104 10303 1 12 . 1 1 56 56 ILE HA H 56 4.659 4.659 4.724 -0.065 25104 10304 1 12 . 1 1 56 56 ILE C C 56 174.633 174.633 173.976 0.657 25104 10305 1 12 . 1 1 56 56 ILE CA C 56 61.585 61.585 60.296 1.289 25104 10306 1 12 . 1 1 56 56 ILE CB C 56 41.452 41.452 42.464 -1.012 25104 10307 1 12 . 1 1 56 56 ILE H H 56 9.201 9.201 8.816 0.385 25104 10308 1 12 . 1 1 57 57 ILE N N 57 127.965 127.965 123.608 4.357 25104 10309 1 12 . 1 1 57 57 ILE HA H 57 5.248 5.248 5.063 0.185 25104 10310 1 12 . 1 1 57 57 ILE CA C 57 57.685 57.685 57.757 -0.071 25104 10311 1 12 . 1 1 57 57 ILE CB C 57 40.236 40.236 41.762 -1.526 25104 10312 1 12 . 1 1 57 57 ILE H H 57 8.753 8.753 9.117 -0.364 25104 10313 1 12 . 1 1 58 58 PRO HA H 58 4.382 4.382 4.409 -0.027 25104 10314 1 12 . 1 1 58 58 PRO C C 58 178.669 178.669 177.598 1.071 25104 10315 1 12 . 1 1 58 58 PRO CA C 58 63.086 63.086 63.473 -0.387 25104 10316 1 12 . 1 1 58 58 PRO CB C 58 31.996 31.996 31.758 0.238 25104 10317 1 12 . 1 1 59 59 GLY N N 59 114.176 114.176 111.814 2.362 25104 10318 1 12 . 1 1 59 59 GLY C C 59 173.281 173.281 173.322 -0.041 25104 10319 1 12 . 1 1 59 59 GLY CA C 59 45.259 45.259 46.039 -0.780 25104 10320 1 12 . 1 1 59 59 GLY H H 59 9.752 9.752 8.822 0.930 25104 10321 1 12 . 1 1 60 60 PHE N N 60 119.241 119.241 118.134 1.107 25104 10322 1 12 . 1 1 60 60 PHE HA H 60 5.153 5.153 4.982 0.171 25104 10323 1 12 . 1 1 60 60 PHE C C 60 174.401 174.401 173.223 1.178 25104 10324 1 12 . 1 1 60 60 PHE CA C 60 56.867 56.867 58.217 -1.350 25104 10325 1 12 . 1 1 60 60 PHE CB C 60 39.954 39.954 40.521 -0.567 25104 10326 1 12 . 1 1 60 60 PHE H H 60 8.196 8.196 7.998 0.198 25104 10327 1 12 . 1 1 61 61 MET N N 61 111.262 111.262 118.501 -7.239 25104 10328 1 12 . 1 1 61 61 MET HA H 61 5.369 5.369 5.113 0.256 25104 10329 1 12 . 1 1 61 61 MET C C 61 175.163 175.163 173.116 2.047 25104 10330 1 12 . 1 1 61 61 MET CA C 61 55.062 55.062 54.769 0.293 25104 10331 1 12 . 1 1 61 61 MET CB C 61 35.010 35.010 36.344 -1.334 25104 10332 1 12 . 1 1 61 61 MET H H 61 8.128 8.128 8.097 0.031 25104 10333 1 12 . 1 1 62 62 CYS N N 62 114.848 114.848 122.951 -8.103 25104 10334 1 12 . 1 1 62 62 CYS HA H 62 4.941 4.941 4.973 -0.032 25104 10335 1 12 . 1 1 62 62 CYS C C 62 174.075 174.075 173.534 0.541 25104 10336 1 12 . 1 1 62 62 CYS CA C 62 57.485 57.485 56.704 0.781 25104 10337 1 12 . 1 1 62 62 CYS CB C 62 30.392 30.392 29.263 1.129 25104 10338 1 12 . 1 1 62 62 CYS H H 62 8.501 8.501 8.856 -0.355 25104 10339 1 12 . 1 1 63 63 GLN N N 63 126.854 126.854 126.921 -0.067 25104 10340 1 12 . 1 1 63 63 GLN HA H 63 5.410 5.410 5.164 0.246 25104 10341 1 12 . 1 1 63 63 GLN C C 63 175.024 175.024 174.672 0.352 25104 10342 1 12 . 1 1 63 63 GLN CA C 63 54.691 54.691 54.308 0.383 25104 10343 1 12 . 1 1 63 63 GLN CB C 63 30.529 30.529 31.712 -1.183 25104 10344 1 12 . 1 1 63 63 GLN H H 63 9.671 9.671 8.802 0.869 25104 10345 1 12 . 1 1 64 64 GLY N N 64 110.745 110.745 110.609 0.136 25104 10346 1 12 . 1 1 64 64 GLY C C 64 174.113 174.113 172.384 1.729 25104 10347 1 12 . 1 1 64 64 GLY CA C 64 44.788 44.788 42.710 2.078 25104 10348 1 12 . 1 1 64 64 GLY H H 64 7.401 7.401 8.127 -0.726 25104 10349 1 12 . 1 1 65 65 GLY N N 65 105.815 105.815 106.037 -0.222 25104 10350 1 12 . 1 1 65 65 GLY C C 65 176.175 176.175 173.299 2.876 25104 10351 1 12 . 1 1 65 65 GLY CA C 65 46.659 46.659 45.139 1.520 25104 10352 1 12 . 1 1 65 65 GLY H H 65 9.265 9.265 7.496 1.769 25104 10353 1 12 . 1 1 66 66 ASP N N 66 123.911 123.911 123.896 0.015 25104 10354 1 12 . 1 1 66 66 ASP HA H 66 4.337 4.337 4.436 -0.099 25104 10355 1 12 . 1 1 66 66 ASP C C 66 177.105 177.105 177.571 -0.466 25104 10356 1 12 . 1 1 66 66 ASP CA C 66 51.592 51.592 54.889 -3.297 25104 10357 1 12 . 1 1 66 66 ASP CB C 66 38.926 38.926 41.984 -3.058 25104 10358 1 12 . 1 1 66 66 ASP H H 66 9.950 9.950 7.895 2.055 25104 10359 1 12 . 1 1 67 67 PHE N N 67 116.285 116.285 121.867 -5.582 25104 10360 1 12 . 1 1 67 67 PHE HA H 67 4.655 4.655 4.199 0.456 25104 10361 1 12 . 1 1 67 67 PHE C C 67 175.240 175.240 175.752 -0.512 25104 10362 1 12 . 1 1 67 67 PHE CA C 67 55.683 55.683 61.403 -5.720 25104 10363 1 12 . 1 1 67 67 PHE CB C 67 39.480 39.480 39.419 0.061 25104 10364 1 12 . 1 1 67 67 PHE H H 67 6.660 6.660 7.635 -0.975 25104 10365 1 12 . 1 1 68 68 THR N N 68 109.280 109.280 116.060 -6.780 25104 10366 1 12 . 1 1 68 68 THR HA H 68 4.692 4.692 3.947 0.745 25104 10367 1 12 . 1 1 68 68 THR C C 68 176.514 176.514 173.484 3.030 25104 10368 1 12 . 1 1 68 68 THR CA C 68 61.962 61.962 62.197 -0.235 25104 10369 1 12 . 1 1 68 68 THR CB C 68 68.922 68.922 68.601 0.321 25104 10370 1 12 . 1 1 68 68 THR H H 68 7.400 7.400 8.099 -0.699 25104 10371 1 12 . 1 1 69 69 ARG N N 69 122.125 122.125 123.163 -1.038 25104 10372 1 12 . 1 1 69 69 ARG HA H 69 4.421 4.421 3.776 0.645 25104 10373 1 12 . 1 1 69 69 ARG CA C 69 55.265 55.265 56.579 -1.314 25104 10374 1 12 . 1 1 69 69 ARG CB C 69 31.727 31.727 27.631 4.096 25104 10375 1 12 . 1 1 69 69 ARG H H 69 8.719 8.719 8.743 -0.024 25104 10376 1 12 . 1 1 70 70 HIS N N 70 111.574 111.574 117.297 -5.723 25104 10377 1 12 . 1 1 70 70 HIS HA H 70 4.451 4.451 4.493 -0.042 25104 10378 1 12 . 1 1 70 70 HIS C C 70 175.306 175.306 174.954 0.352 25104 10379 1 12 . 1 1 70 70 HIS CA C 70 57.193 57.193 55.247 1.946 25104 10380 1 12 . 1 1 70 70 HIS CB C 70 28.587 28.587 29.465 -0.878 25104 10381 1 12 . 1 1 70 70 HIS H H 70 6.865 6.865 8.435 -1.570 25104 10382 1 12 . 1 1 71 71 ASN N N 71 112.710 112.710 119.748 -7.038 25104 10383 1 12 . 1 1 71 71 ASN HA H 71 4.673 4.673 4.523 0.150 25104 10384 1 12 . 1 1 71 71 ASN C C 71 176.752 176.752 175.480 1.272 25104 10385 1 12 . 1 1 71 71 ASN CA C 71 52.366 52.366 52.557 -0.191 25104 10386 1 12 . 1 1 71 71 ASN CB C 71 39.036 39.036 36.413 2.623 25104 10387 1 12 . 1 1 71 71 ASN H H 71 7.594 7.594 7.915 -0.321 25104 10388 1 12 . 1 1 72 72 GLY N N 72 110.452 110.452 110.296 0.156 25104 10389 1 12 . 1 1 72 72 GLY C C 72 176.669 176.669 174.631 2.038 25104 10390 1 12 . 1 1 72 72 GLY CA C 72 44.887 44.887 46.404 -1.517 25104 10391 1 12 . 1 1 72 72 GLY H H 72 9.642 9.642 8.314 1.328 25104 10392 1 12 . 1 1 73 73 THR N N 73 112.024 112.024 115.450 -3.426 25104 10393 1 12 . 1 1 73 73 THR HA H 73 4.541 4.541 4.341 0.200 25104 10394 1 12 . 1 1 73 73 THR C C 73 176.905 176.905 174.500 2.405 25104 10395 1 12 . 1 1 73 73 THR CA C 73 62.235 62.235 62.418 -0.183 25104 10396 1 12 . 1 1 73 73 THR CB C 73 70.677 70.677 70.379 0.298 25104 10397 1 12 . 1 1 73 73 THR H H 73 7.967 7.967 7.527 0.440 25104 10398 1 12 . 1 1 74 74 GLY N N 74 113.872 113.872 110.434 3.438 25104 10399 1 12 . 1 1 74 74 GLY C C 74 176.149 176.149 174.222 1.927 25104 10400 1 12 . 1 1 74 74 GLY CA C 74 45.126 45.126 45.980 -0.854 25104 10401 1 12 . 1 1 74 74 GLY H H 74 8.711 8.711 8.194 0.517 25104 10402 1 12 . 1 1 75 75 GLY N N 75 109.032 109.032 106.661 2.371 25104 10403 1 12 . 1 1 75 75 GLY C C 75 173.012 173.012 174.023 -1.011 25104 10404 1 12 . 1 1 75 75 GLY CA C 75 43.371 43.371 44.589 -1.218 25104 10405 1 12 . 1 1 75 75 GLY H H 75 8.117 8.117 7.801 0.316 25104 10406 1 12 . 1 1 76 76 LYS N N 76 115.705 115.705 120.786 -5.081 25104 10407 1 12 . 1 1 76 76 LYS HA H 76 4.623 4.623 4.485 0.138 25104 10408 1 12 . 1 1 76 76 LYS C C 76 173.512 173.512 176.807 -3.295 25104 10409 1 12 . 1 1 76 76 LYS CA C 76 55.975 55.975 56.487 -0.512 25104 10410 1 12 . 1 1 76 76 LYS CB C 76 34.648 34.648 32.700 1.948 25104 10411 1 12 . 1 1 76 76 LYS H H 76 7.034 7.034 7.869 -0.835 25104 10412 1 12 . 1 1 77 77 SER N N 77 114.354 114.354 116.129 -1.775 25104 10413 1 12 . 1 1 77 77 SER HA H 77 5.240 5.240 4.865 0.375 25104 10414 1 12 . 1 1 77 77 SER C C 77 176.746 176.746 175.251 1.495 25104 10415 1 12 . 1 1 77 77 SER CA C 77 57.077 57.077 57.416 -0.339 25104 10416 1 12 . 1 1 77 77 SER CB C 77 69.863 69.863 65.997 3.866 25104 10417 1 12 . 1 1 77 77 SER H H 77 7.793 7.793 8.063 -0.270 25104 10418 1 12 . 1 1 78 78 ILE N N 78 111.394 111.394 114.072 -2.678 25104 10419 1 12 . 1 1 78 78 ILE HA H 78 4.208 4.208 4.233 -0.025 25104 10420 1 12 . 1 1 78 78 ILE C C 78 176.973 176.973 175.883 1.090 25104 10421 1 12 . 1 1 78 78 ILE CA C 78 63.675 63.675 63.062 0.613 25104 10422 1 12 . 1 1 78 78 ILE CB C 78 37.434 37.434 38.048 -0.614 25104 10423 1 12 . 1 1 78 78 ILE H H 78 8.584 8.584 8.715 -0.131 25104 10424 1 12 . 1 1 79 79 TYR N N 79 120.757 120.757 117.102 3.655 25104 10425 1 12 . 1 1 79 79 TYR HA H 79 4.718 4.718 4.434 0.284 25104 10426 1 12 . 1 1 79 79 TYR C C 79 176.316 176.316 176.199 0.117 25104 10427 1 12 . 1 1 79 79 TYR CA C 79 56.216 56.216 59.069 -2.853 25104 10428 1 12 . 1 1 79 79 TYR CB C 79 38.891 38.891 38.910 -0.019 25104 10429 1 12 . 1 1 79 79 TYR H H 79 8.058 8.058 8.076 -0.018 25104 10430 1 12 . 1 1 80 80 GLY N N 80 106.521 106.521 106.641 -0.120 25104 10431 1 12 . 1 1 80 80 GLY CA C 80 46.021 46.021 45.278 0.743 25104 10432 1 12 . 1 1 80 80 GLY H H 80 7.152 7.152 7.482 -0.330 25104 10433 1 12 . 1 1 81 81 GLU N N 81 122.638 122.638 122.816 -0.178 25104 10434 1 12 . 1 1 81 81 GLU HA H 81 4.008 4.008 4.145 -0.137 25104 10435 1 12 . 1 1 81 81 GLU C C 81 176.729 176.729 175.400 1.329 25104 10436 1 12 . 1 1 81 81 GLU CA C 81 60.602 60.602 58.514 2.088 25104 10437 1 12 . 1 1 81 81 GLU CB C 81 29.927 29.927 29.853 0.074 25104 10438 1 12 . 1 1 81 81 GLU H H 81 8.884 8.884 8.693 0.191 25104 10439 1 12 . 1 1 82 82 LYS N N 82 112.369 112.369 114.211 -1.842 25104 10440 1 12 . 1 1 82 82 LYS HA H 82 5.577 5.577 4.821 0.756 25104 10441 1 12 . 1 1 82 82 LYS C C 82 176.495 176.495 174.930 1.565 25104 10442 1 12 . 1 1 82 82 LYS CA C 82 53.906 53.906 54.993 -1.087 25104 10443 1 12 . 1 1 82 82 LYS CB C 82 36.614 36.614 36.094 0.520 25104 10444 1 12 . 1 1 82 82 LYS H H 82 7.845 7.845 7.579 0.266 25104 10445 1 12 . 1 1 83 83 PHE N N 83 116.638 116.638 114.082 2.556 25104 10446 1 12 . 1 1 83 83 PHE HA H 83 5.000 5.000 4.966 0.034 25104 10447 1 12 . 1 1 83 83 PHE C C 83 174.501 174.501 173.499 1.002 25104 10448 1 12 . 1 1 83 83 PHE CA C 83 56.032 56.032 56.287 -0.255 25104 10449 1 12 . 1 1 83 83 PHE CB C 83 41.258 41.258 40.938 0.320 25104 10450 1 12 . 1 1 83 83 PHE H H 83 9.184 9.184 8.430 0.754 25104 10451 1 12 . 1 1 84 84 GLU N N 84 119.642 119.642 118.758 0.884 25104 10452 1 12 . 1 1 84 84 GLU HA H 84 3.862 3.862 4.414 -0.552 25104 10453 1 12 . 1 1 84 84 GLU C C 84 177.248 177.248 175.628 1.620 25104 10454 1 12 . 1 1 84 84 GLU CA C 84 56.452 56.452 54.835 1.617 25104 10455 1 12 . 1 1 84 84 GLU CB C 84 29.329 29.329 31.034 -1.705 25104 10456 1 12 . 1 1 84 84 GLU H H 84 9.294 9.294 8.537 0.757 25104 10457 1 12 . 1 1 85 85 ASP N N 85 118.870 118.870 121.610 -2.740 25104 10458 1 12 . 1 1 85 85 ASP HA H 85 4.285 4.285 4.390 -0.105 25104 10459 1 12 . 1 1 85 85 ASP C C 85 177.100 177.100 175.984 1.116 25104 10460 1 12 . 1 1 85 85 ASP CA C 85 54.486 54.486 55.149 -0.663 25104 10461 1 12 . 1 1 85 85 ASP CB C 85 40.954 40.954 41.077 -0.123 25104 10462 1 12 . 1 1 85 85 ASP H H 85 8.609 8.609 8.383 0.226 25104 10463 1 12 . 1 1 86 86 GLU N N 86 131.636 131.636 124.844 6.792 25104 10464 1 12 . 1 1 86 86 GLU HA H 86 3.851 3.851 4.051 -0.200 25104 10465 1 12 . 1 1 86 86 GLU C C 86 177.266 177.266 175.994 1.272 25104 10466 1 12 . 1 1 86 86 GLU CA C 86 60.354 60.354 58.534 1.820 25104 10467 1 12 . 1 1 86 86 GLU CB C 86 31.877 31.877 30.082 1.795 25104 10468 1 12 . 1 1 86 86 GLU H H 86 9.474 9.474 8.789 0.685 25104 10469 1 12 . 1 1 87 87 ASN N N 87 106.916 106.916 113.348 -6.432 25104 10470 1 12 . 1 1 87 87 ASN HA H 87 4.187 4.187 4.525 -0.338 25104 10471 1 12 . 1 1 87 87 ASN C C 87 171.751 171.751 173.137 -1.386 25104 10472 1 12 . 1 1 87 87 ASN CA C 87 52.828 52.828 52.236 0.592 25104 10473 1 12 . 1 1 87 87 ASN CB C 87 39.490 39.490 39.481 0.009 25104 10474 1 12 . 1 1 87 87 ASN H H 87 7.084 7.084 7.510 -0.426 25104 10475 1 12 . 1 1 88 88 PHE N N 88 113.116 113.116 115.638 -2.522 25104 10476 1 12 . 1 1 88 88 PHE HA H 88 5.964 5.964 4.914 1.050 25104 10477 1 12 . 1 1 88 88 PHE C C 88 178.688 178.688 175.177 3.511 25104 10478 1 12 . 1 1 88 88 PHE CA C 88 55.847 55.847 57.028 -1.181 25104 10479 1 12 . 1 1 88 88 PHE CB C 88 38.876 38.876 38.935 -0.059 25104 10480 1 12 . 1 1 88 88 PHE H H 88 8.356 8.356 8.440 -0.084 25104 10481 1 12 . 1 1 89 89 ILE N N 89 119.794 119.794 120.324 -0.530 25104 10482 1 12 . 1 1 89 89 ILE HA H 89 3.726 3.726 3.964 -0.238 25104 10483 1 12 . 1 1 89 89 ILE C C 89 178.596 178.596 176.076 2.520 25104 10484 1 12 . 1 1 89 89 ILE CA C 89 64.996 64.996 63.418 1.578 25104 10485 1 12 . 1 1 89 89 ILE CB C 89 39.000 39.000 38.322 0.678 25104 10486 1 12 . 1 1 89 89 ILE H H 89 8.314 8.314 7.893 0.421 25104 10487 1 12 . 1 1 90 90 LEU N N 90 117.361 117.361 119.506 -2.145 25104 10488 1 12 . 1 1 90 90 LEU HA H 90 4.516 4.516 4.286 0.230 25104 10489 1 12 . 1 1 90 90 LEU C C 90 177.345 177.345 175.726 1.619 25104 10490 1 12 . 1 1 90 90 LEU CA C 90 54.196 54.196 54.392 -0.196 25104 10491 1 12 . 1 1 90 90 LEU CB C 90 42.100 42.100 42.082 0.018 25104 10492 1 12 . 1 1 90 90 LEU H H 90 7.777 7.777 7.933 -0.156 25104 10493 1 12 . 1 1 91 91 LYS N N 91 119.096 119.096 119.953 -0.857 25104 10494 1 12 . 1 1 91 91 LYS HA H 91 4.635 4.635 4.466 0.169 25104 10495 1 12 . 1 1 91 91 LYS C C 91 177.296 177.296 175.574 1.722 25104 10496 1 12 . 1 1 91 91 LYS CA C 91 54.689 54.689 55.004 -0.315 25104 10497 1 12 . 1 1 91 91 LYS CB C 91 34.841 34.841 35.189 -0.348 25104 10498 1 12 . 1 1 91 91 LYS H H 91 8.086 8.086 8.349 -0.263 25104 10499 1 12 . 1 1 92 92 HIS N N 92 122.578 122.578 119.619 2.959 25104 10500 1 12 . 1 1 92 92 HIS HA H 92 4.408 4.408 4.791 -0.383 25104 10501 1 12 . 1 1 92 92 HIS C C 92 178.794 178.794 174.940 3.854 25104 10502 1 12 . 1 1 92 92 HIS CA C 92 56.886 56.886 55.610 1.276 25104 10503 1 12 . 1 1 92 92 HIS CB C 92 26.041 26.041 27.659 -1.617 25104 10504 1 12 . 1 1 92 92 HIS H H 92 10.736 10.736 9.068 1.668 25104 10505 1 12 . 1 1 93 93 THR N N 93 110.479 110.479 112.639 -2.160 25104 10506 1 12 . 1 1 93 93 THR HA H 93 4.056 4.056 4.392 -0.336 25104 10507 1 12 . 1 1 93 93 THR C C 93 176.456 176.456 174.161 2.295 25104 10508 1 12 . 1 1 93 93 THR CA C 93 63.324 63.324 61.408 1.916 25104 10509 1 12 . 1 1 93 93 THR CB C 93 69.416 69.416 68.994 0.422 25104 10510 1 12 . 1 1 93 93 THR H H 93 7.315 7.315 7.596 -0.281 25104 10511 1 12 . 1 1 94 94 GLY N N 94 107.272 107.272 108.751 -1.479 25104 10512 1 12 . 1 1 94 94 GLY C C 94 178.117 178.117 171.945 6.172 25104 10513 1 12 . 1 1 94 94 GLY H H 94 7.530 7.530 7.539 -0.009 25104 10514 1 12 . 1 1 95 95 PRO HA H 95 3.856 3.856 4.407 -0.551 25104 10515 1 12 . 1 1 95 95 PRO CA C 95 62.687 62.687 62.482 0.205 25104 10516 1 12 . 1 1 95 95 PRO CB C 95 32.137 32.137 32.241 -0.104 25104 10517 1 12 . 1 1 96 96 GLY N N 96 110.210 110.210 111.423 -1.213 25104 10518 1 12 . 1 1 96 96 GLY C C 96 174.025 174.025 174.955 -0.930 25104 10519 1 12 . 1 1 96 96 GLY CA C 96 45.068 45.068 45.281 -0.213 25104 10520 1 12 . 1 1 96 96 GLY H H 96 9.305 9.305 8.353 0.952 25104 10521 1 12 . 1 1 97 97 ILE N N 97 121.517 121.517 122.006 -0.489 25104 10522 1 12 . 1 1 97 97 ILE HA H 97 4.173 4.173 3.948 0.225 25104 10523 1 12 . 1 1 97 97 ILE C C 97 174.196 174.196 174.810 -0.614 25104 10524 1 12 . 1 1 97 97 ILE CA C 97 59.398 59.398 60.791 -1.393 25104 10525 1 12 . 1 1 97 97 ILE CB C 97 37.922 37.922 35.596 2.326 25104 10526 1 12 . 1 1 97 97 ILE H H 97 6.826 6.826 7.998 -1.172 25104 10527 1 12 . 1 1 98 98 LEU N N 98 128.948 128.948 131.061 -2.113 25104 10528 1 12 . 1 1 98 98 LEU HA H 98 5.010 5.010 4.459 0.551 25104 10529 1 12 . 1 1 98 98 LEU C C 98 175.316 175.316 174.725 0.591 25104 10530 1 12 . 1 1 98 98 LEU CA C 98 53.350 53.350 53.803 -0.453 25104 10531 1 12 . 1 1 98 98 LEU CB C 98 43.813 43.813 41.954 1.859 25104 10532 1 12 . 1 1 98 98 LEU H H 98 7.907 7.907 7.825 0.082 25104 10533 1 12 . 1 1 99 99 SER N N 99 118.834 118.834 119.914 -1.080 25104 10534 1 12 . 1 1 99 99 SER HA H 99 5.346 5.346 4.602 0.744 25104 10535 1 12 . 1 1 99 99 SER C C 99 175.732 175.732 172.522 3.210 25104 10536 1 12 . 1 1 99 99 SER CA C 99 55.011 55.011 55.998 -0.987 25104 10537 1 12 . 1 1 99 99 SER CB C 99 65.370 65.370 64.958 0.412 25104 10538 1 12 . 1 1 99 99 SER H H 99 8.307 8.307 8.436 -0.129 25104 10539 1 12 . 1 1 100 100 MET N N 100 123.079 123.079 121.469 1.610 25104 10540 1 12 . 1 1 100 100 MET HA H 100 5.338 5.338 4.723 0.615 25104 10541 1 12 . 1 1 100 100 MET C C 100 178.920 178.920 174.254 4.666 25104 10542 1 12 . 1 1 100 100 MET CA C 100 53.853 53.853 54.793 -0.940 25104 10543 1 12 . 1 1 100 100 MET H H 100 8.563 8.563 8.063 0.500 25104 10544 1 12 . 1 1 101 101 ALA N N 101 126.225 126.225 127.282 -1.057 25104 10545 1 12 . 1 1 101 101 ALA HA H 101 4.362 4.362 4.707 -0.345 25104 10546 1 12 . 1 1 101 101 ALA C C 101 176.471 176.471 175.367 1.104 25104 10547 1 12 . 1 1 101 101 ALA CA C 101 51.743 51.743 51.868 -0.125 25104 10548 1 12 . 1 1 101 101 ALA CB C 101 19.619 19.619 20.840 -1.221 25104 10549 1 12 . 1 1 101 101 ALA H H 101 8.114 8.114 8.631 -0.517 25104 10550 1 12 . 1 1 102 102 ASN N N 102 113.398 113.398 113.530 -0.132 25104 10551 1 12 . 1 1 102 102 ASN HA H 102 4.647 4.647 4.980 -0.333 25104 10552 1 12 . 1 1 102 102 ASN C C 102 174.740 174.740 173.698 1.042 25104 10553 1 12 . 1 1 102 102 ASN CA C 102 54.102 54.102 52.625 1.477 25104 10554 1 12 . 1 1 102 102 ASN CB C 102 40.597 40.597 39.839 0.758 25104 10555 1 12 . 1 1 102 102 ASN H H 102 8.062 8.062 8.168 -0.106 25104 10556 1 12 . 1 1 103 103 ALA N N 103 123.487 123.487 120.937 2.550 25104 10557 1 12 . 1 1 103 103 ALA HA H 103 4.868 4.868 4.570 0.298 25104 10558 1 12 . 1 1 103 103 ALA C C 103 177.823 177.823 176.244 1.579 25104 10559 1 12 . 1 1 103 103 ALA CA C 103 50.380 50.380 51.591 -1.211 25104 10560 1 12 . 1 1 103 103 ALA CB C 103 19.295 19.295 19.976 -0.681 25104 10561 1 12 . 1 1 103 103 ALA H H 103 8.822 8.822 8.460 0.362 25104 10562 1 12 . 1 1 104 104 GLY N N 104 109.271 109.271 106.901 2.370 25104 10563 1 12 . 1 1 104 104 GLY CA C 104 43.559 43.559 44.882 -1.323 25104 10564 1 12 . 1 1 104 104 GLY H H 104 8.181 8.181 7.533 0.648 25104 10565 1 12 . 1 1 105 105 PRO HA H 105 4.385 4.385 4.539 -0.154 25104 10566 1 12 . 1 1 105 105 PRO C C 105 177.209 177.209 176.981 0.228 25104 10567 1 12 . 1 1 105 105 PRO CA C 105 63.976 63.976 63.382 0.594 25104 10568 1 12 . 1 1 105 105 PRO CB C 105 32.136 32.136 31.978 0.158 25104 10569 1 12 . 1 1 106 106 ASN N N 106 119.146 119.146 117.750 1.396 25104 10570 1 12 . 1 1 106 106 ASN HA H 106 4.052 4.052 4.539 -0.487 25104 10571 1 12 . 1 1 106 106 ASN C C 106 175.857 175.857 174.450 1.407 25104 10572 1 12 . 1 1 106 106 ASN CA C 106 54.279 54.279 54.870 -0.591 25104 10573 1 12 . 1 1 106 106 ASN CB C 106 37.248 37.248 38.224 -0.976 25104 10574 1 12 . 1 1 106 106 ASN H H 106 8.912 8.912 9.029 -0.117 25104 10575 1 12 . 1 1 107 107 THR N N 107 110.101 110.101 111.467 -1.366 25104 10576 1 12 . 1 1 107 107 THR HA H 107 4.493 4.493 4.371 0.122 25104 10577 1 12 . 1 1 107 107 THR C C 107 174.713 174.713 172.787 1.926 25104 10578 1 12 . 1 1 107 107 THR CA C 107 60.294 60.294 61.902 -1.608 25104 10579 1 12 . 1 1 107 107 THR CB C 107 69.030 69.030 70.070 -1.040 25104 10580 1 12 . 1 1 107 107 THR H H 107 10.191 10.191 7.650 2.541 25104 10581 1 12 . 1 1 108 108 ASN N N 108 120.592 120.592 119.802 0.790 25104 10582 1 12 . 1 1 108 108 ASN HA H 108 4.210 4.210 4.637 -0.427 25104 10583 1 12 . 1 1 108 108 ASN C C 108 175.078 175.078 175.451 -0.373 25104 10584 1 12 . 1 1 108 108 ASN CA C 108 55.287 55.287 52.791 2.496 25104 10585 1 12 . 1 1 108 108 ASN CB C 108 39.036 39.036 39.461 -0.425 25104 10586 1 12 . 1 1 108 108 ASN H H 108 7.410 7.410 7.810 -0.400 25104 10587 1 12 . 1 1 109 109 GLY N N 109 110.835 110.835 110.776 0.059 25104 10588 1 12 . 1 1 109 109 GLY C C 109 172.087 172.087 173.725 -1.638 25104 10589 1 12 . 1 1 109 109 GLY CA C 109 45.940 45.940 45.110 0.830 25104 10590 1 12 . 1 1 109 109 GLY H H 109 9.192 9.192 8.112 1.080 25104 10591 1 12 . 1 1 110 110 SER N N 110 117.149 117.149 118.956 -1.807 25104 10592 1 12 . 1 1 110 110 SER HA H 110 4.751 4.751 4.985 -0.234 25104 10593 1 12 . 1 1 110 110 SER C C 110 177.075 177.075 174.425 2.650 25104 10594 1 12 . 1 1 110 110 SER CA C 110 57.526 57.526 57.222 0.304 25104 10595 1 12 . 1 1 110 110 SER CB C 110 66.180 66.180 64.399 1.781 25104 10596 1 12 . 1 1 110 110 SER H H 110 8.793 8.793 7.509 1.284 25104 10597 1 12 . 1 1 111 111 GLN N N 111 124.594 124.594 119.092 5.502 25104 10598 1 12 . 1 1 111 111 GLN HA H 111 4.225 4.225 4.151 0.074 25104 10599 1 12 . 1 1 111 111 GLN C C 111 179.174 179.174 175.164 4.010 25104 10600 1 12 . 1 1 111 111 GLN CA C 111 58.144 58.144 57.448 0.696 25104 10601 1 12 . 1 1 111 111 GLN CB C 111 31.558 31.558 28.741 2.817 25104 10602 1 12 . 1 1 111 111 GLN H H 111 8.438 8.438 8.647 -0.209 25104 10603 1 12 . 1 1 112 112 PHE N N 112 118.008 118.008 114.452 3.556 25104 10604 1 12 . 1 1 112 112 PHE HA H 112 5.806 5.806 5.155 0.651 25104 10605 1 12 . 1 1 112 112 PHE C C 112 172.840 172.840 173.313 -0.473 25104 10606 1 12 . 1 1 112 112 PHE CA C 112 55.584 55.584 56.180 -0.596 25104 10607 1 12 . 1 1 112 112 PHE CB C 112 43.323 43.323 42.441 0.882 25104 10608 1 12 . 1 1 112 112 PHE H H 112 8.120 8.120 8.056 0.064 25104 10609 1 12 . 1 1 113 113 PHE N N 113 116.406 116.406 115.626 0.780 25104 10610 1 12 . 1 1 113 113 PHE HA H 113 5.739 5.739 5.347 0.392 25104 10611 1 12 . 1 1 113 113 PHE C C 113 175.349 175.349 173.334 2.015 25104 10612 1 12 . 1 1 113 113 PHE CA C 113 54.684 54.684 55.546 -0.862 25104 10613 1 12 . 1 1 113 113 PHE CB C 113 42.825 42.825 42.468 0.357 25104 10614 1 12 . 1 1 113 113 PHE H H 113 9.832 9.832 8.903 0.929 25104 10615 1 12 . 1 1 114 114 ILE N N 114 118.683 118.683 121.243 -2.560 25104 10616 1 12 . 1 1 114 114 ILE HA H 114 4.842 4.842 4.803 0.039 25104 10617 1 12 . 1 1 114 114 ILE C C 114 178.414 178.414 176.064 2.350 25104 10618 1 12 . 1 1 114 114 ILE CA C 114 60.265 60.265 59.819 0.446 25104 10619 1 12 . 1 1 114 114 ILE CB C 114 40.466 40.466 39.261 1.205 25104 10620 1 12 . 1 1 114 114 ILE H H 114 9.156 9.156 8.583 0.573 25104 10621 1 12 . 1 1 115 115 CYS N N 115 125.524 125.524 128.776 -3.252 25104 10622 1 12 . 1 1 115 115 CYS HA H 115 4.808 4.808 4.806 0.002 25104 10623 1 12 . 1 1 115 115 CYS C C 115 177.658 177.658 176.386 1.272 25104 10624 1 12 . 1 1 115 115 CYS CA C 115 60.803 60.803 57.632 3.171 25104 10625 1 12 . 1 1 115 115 CYS CB C 115 28.723 28.723 25.754 2.969 25104 10626 1 12 . 1 1 115 115 CYS H H 115 9.616 9.616 8.911 0.705 25104 10627 1 12 . 1 1 116 116 THR N N 116 115.801 115.801 117.146 -1.345 25104 10628 1 12 . 1 1 116 116 THR HA H 116 4.380 4.380 4.363 0.017 25104 10629 1 12 . 1 1 116 116 THR C C 116 178.496 178.496 174.322 4.174 25104 10630 1 12 . 1 1 116 116 THR CA C 116 60.844 60.844 63.266 -2.422 25104 10631 1 12 . 1 1 116 116 THR CB C 116 66.730 66.730 69.138 -2.408 25104 10632 1 12 . 1 1 116 116 THR H H 116 8.990 8.990 8.274 0.716 25104 10633 1 12 . 1 1 117 117 ALA N N 117 122.356 122.356 123.751 -1.395 25104 10634 1 12 . 1 1 117 117 ALA HA H 117 4.420 4.420 4.694 -0.274 25104 10635 1 12 . 1 1 117 117 ALA C C 117 176.114 176.114 175.544 0.570 25104 10636 1 12 . 1 1 117 117 ALA CA C 117 50.668 50.668 50.442 0.226 25104 10637 1 12 . 1 1 117 117 ALA CB C 117 22.795 22.795 21.184 1.611 25104 10638 1 12 . 1 1 117 117 ALA H H 117 7.641 7.641 7.406 0.235 25104 10639 1 12 . 1 1 118 118 LYS N N 118 119.855 119.855 119.810 0.045 25104 10640 1 12 . 1 1 118 118 LYS HA H 118 3.840 3.840 4.385 -0.545 25104 10641 1 12 . 1 1 118 118 LYS C C 118 177.211 177.211 176.404 0.807 25104 10642 1 12 . 1 1 118 118 LYS CA C 118 57.913 57.913 55.989 1.924 25104 10643 1 12 . 1 1 118 118 LYS CB C 118 32.708 32.708 30.369 2.339 25104 10644 1 12 . 1 1 118 118 LYS H H 118 8.693 8.693 8.567 0.126 25104 10645 1 12 . 1 1 119 119 THR N N 119 119.004 119.004 114.655 4.349 25104 10646 1 12 . 1 1 119 119 THR HA H 119 3.730 3.730 3.940 -0.210 25104 10647 1 12 . 1 1 119 119 THR C C 119 177.928 177.928 175.261 2.667 25104 10648 1 12 . 1 1 119 119 THR CA C 119 57.301 57.301 61.513 -4.212 25104 10649 1 12 . 1 1 119 119 THR CB C 119 68.717 68.717 67.977 0.740 25104 10650 1 12 . 1 1 119 119 THR H H 119 7.373 7.373 8.066 -0.693 25104 10651 1 12 . 1 1 120 120 GLU N N 120 124.713 124.713 125.962 -1.249 25104 10652 1 12 . 1 1 120 120 GLU HA H 120 4.162 4.162 4.088 0.074 25104 10653 1 12 . 1 1 120 120 GLU C C 120 178.190 178.190 178.160 0.030 25104 10654 1 12 . 1 1 120 120 GLU CA C 120 59.334 59.334 58.990 0.344 25104 10655 1 12 . 1 1 120 120 GLU CB C 120 29.322 29.322 29.230 0.092 25104 10656 1 12 . 1 1 120 120 GLU H H 120 9.139 9.139 8.050 1.089 25104 10657 1 12 . 1 1 121 121 TRP N N 121 117.782 117.782 117.026 0.756 25104 10658 1 12 . 1 1 121 121 TRP HA H 121 4.716 4.716 4.632 0.084 25104 10659 1 12 . 1 1 121 121 TRP C C 121 177.244 177.244 176.382 0.862 25104 10660 1 12 . 1 1 121 121 TRP CA C 121 59.748 59.748 57.290 2.458 25104 10661 1 12 . 1 1 121 121 TRP CB C 121 26.947 26.947 28.714 -1.767 25104 10662 1 12 . 1 1 121 121 TRP H H 121 7.297 7.297 8.178 -0.881 25104 10663 1 12 . 1 1 122 122 LEU N N 122 119.806 119.806 119.612 0.194 25104 10664 1 12 . 1 1 122 122 LEU HA H 122 4.315 4.315 4.100 0.215 25104 10665 1 12 . 1 1 122 122 LEU C C 122 173.304 173.304 176.655 -3.351 25104 10666 1 12 . 1 1 122 122 LEU CA C 122 54.543 54.543 54.946 -0.403 25104 10667 1 12 . 1 1 122 122 LEU CB C 122 39.075 39.075 40.786 -1.711 25104 10668 1 12 . 1 1 122 122 LEU H H 122 7.037 7.037 6.881 0.156 25104 10669 1 12 . 1 1 123 123 ASP N N 123 122.205 122.205 119.632 2.573 25104 10670 1 12 . 1 1 123 123 ASP HA H 123 5.222 5.222 4.795 0.427 25104 10671 1 12 . 1 1 123 123 ASP C C 123 179.276 179.276 177.071 2.205 25104 10672 1 12 . 1 1 123 123 ASP CA C 123 55.889 55.889 55.464 0.425 25104 10673 1 12 . 1 1 123 123 ASP CB C 123 39.517 39.517 41.195 -1.678 25104 10674 1 12 . 1 1 123 123 ASP H H 123 7.643 7.643 7.370 0.273 25104 10675 1 12 . 1 1 124 124 GLY N N 124 111.205 111.205 110.340 0.865 25104 10676 1 12 . 1 1 124 124 GLY C C 124 173.148 173.148 174.960 -1.812 25104 10677 1 12 . 1 1 124 124 GLY CA C 124 45.114 45.114 45.523 -0.409 25104 10678 1 12 . 1 1 124 124 GLY H H 124 9.550 9.550 8.810 0.740 25104 10679 1 12 . 1 1 125 125 LYS N N 125 115.408 115.408 121.257 -5.849 25104 10680 1 12 . 1 1 125 125 LYS HA H 125 4.173 4.173 4.472 -0.299 25104 10681 1 12 . 1 1 125 125 LYS C C 125 176.351 176.351 176.361 -0.010 25104 10682 1 12 . 1 1 125 125 LYS CA C 125 56.341 56.341 55.421 0.920 25104 10683 1 12 . 1 1 125 125 LYS CB C 125 35.504 35.504 33.376 2.128 25104 10684 1 12 . 1 1 125 125 LYS H H 125 7.765 7.765 7.471 0.294 25104 10685 1 12 . 1 1 126 126 HIS N N 126 119.526 119.526 117.470 2.056 25104 10686 1 12 . 1 1 126 126 HIS HA H 126 4.863 4.863 4.908 -0.045 25104 10687 1 12 . 1 1 126 126 HIS C C 126 174.784 174.784 175.706 -0.922 25104 10688 1 12 . 1 1 126 126 HIS CA C 126 54.923 54.923 56.425 -1.502 25104 10689 1 12 . 1 1 126 126 HIS CB C 126 31.675 31.675 30.215 1.460 25104 10690 1 12 . 1 1 126 126 HIS H H 126 7.600 7.600 8.731 -1.131 25104 10691 1 12 . 1 1 127 127 VAL N N 127 125.009 125.009 121.669 3.340 25104 10692 1 12 . 1 1 127 127 VAL HA H 127 4.307 4.307 4.029 0.278 25104 10693 1 12 . 1 1 127 127 VAL C C 127 176.442 176.442 175.937 0.505 25104 10694 1 12 . 1 1 127 127 VAL CA C 127 63.893 63.893 62.806 1.087 25104 10695 1 12 . 1 1 127 127 VAL CB C 127 33.553 33.553 32.516 1.037 25104 10696 1 12 . 1 1 127 127 VAL H H 127 8.523 8.523 8.734 -0.211 25104 10697 1 12 . 1 1 128 128 VAL N N 128 133.065 133.065 126.619 6.446 25104 10698 1 12 . 1 1 128 128 VAL HA H 128 4.176 4.176 3.774 0.402 25104 10699 1 12 . 1 1 128 128 VAL C C 128 176.113 176.113 175.553 0.560 25104 10700 1 12 . 1 1 128 128 VAL CA C 128 63.172 63.172 64.530 -1.358 25104 10701 1 12 . 1 1 128 128 VAL CB C 128 31.612 31.612 31.641 -0.029 25104 10702 1 12 . 1 1 128 128 VAL H H 128 9.474 9.474 7.788 1.686 25104 10703 1 12 . 1 1 129 129 PHE N N 129 117.892 117.892 118.086 -0.194 25104 10704 1 12 . 1 1 129 129 PHE HA H 129 5.308 5.308 4.964 0.344 25104 10705 1 12 . 1 1 129 129 PHE C C 129 173.725 173.725 174.205 -0.480 25104 10706 1 12 . 1 1 129 129 PHE CA C 129 55.969 55.969 56.801 -0.832 25104 10707 1 12 . 1 1 129 129 PHE CB C 129 42.581 42.581 41.430 1.151 25104 10708 1 12 . 1 1 129 129 PHE H H 129 8.138 8.138 7.979 0.159 25104 10709 1 12 . 1 1 130 130 GLY N N 130 110.747 110.747 106.850 3.897 25104 10710 1 12 . 1 1 130 130 GLY C C 130 171.591 171.591 171.973 -0.382 25104 10711 1 12 . 1 1 130 130 GLY CA C 130 46.505 46.505 44.298 2.207 25104 10712 1 12 . 1 1 130 130 GLY H H 130 7.356 7.356 7.557 -0.201 25104 10713 1 12 . 1 1 131 131 LYS N N 131 115.453 115.453 119.978 -4.525 25104 10714 1 12 . 1 1 131 131 LYS HA H 131 5.246 5.246 4.802 0.444 25104 10715 1 12 . 1 1 131 131 LYS C C 131 176.109 176.109 174.395 1.714 25104 10716 1 12 . 1 1 131 131 LYS CA C 131 54.887 54.887 55.733 -0.846 25104 10717 1 12 . 1 1 131 131 LYS CB C 131 36.077 36.077 36.887 -0.810 25104 10718 1 12 . 1 1 131 131 LYS H H 131 8.390 8.390 8.058 0.332 25104 10719 1 12 . 1 1 132 132 VAL N N 132 124.311 124.311 127.313 -3.002 25104 10720 1 12 . 1 1 132 132 VAL HA H 132 3.955 3.955 4.055 -0.100 25104 10721 1 12 . 1 1 132 132 VAL C C 132 176.489 176.489 176.254 0.235 25104 10722 1 12 . 1 1 132 132 VAL CA C 132 64.284 64.284 62.749 1.535 25104 10723 1 12 . 1 1 132 132 VAL CB C 132 32.709 32.709 32.397 0.312 25104 10724 1 12 . 1 1 132 132 VAL H H 132 9.071 9.071 8.449 0.622 25104 10725 1 12 . 1 1 133 133 LYS N N 133 131.670 131.670 128.466 3.204 25104 10726 1 12 . 1 1 133 133 LYS HA H 133 4.483 4.483 4.344 0.139 25104 10727 1 12 . 1 1 133 133 LYS C C 133 176.283 176.283 176.840 -0.557 25104 10728 1 12 . 1 1 133 133 LYS CA C 133 56.978 56.978 56.959 0.019 25104 10729 1 12 . 1 1 133 133 LYS CB C 133 34.028 34.028 33.142 0.886 25104 10730 1 12 . 1 1 133 133 LYS H H 133 9.494 9.494 8.843 0.651 25104 10731 1 12 . 1 1 134 134 GLU N N 134 118.417 118.417 117.861 0.556 25104 10732 1 12 . 1 1 134 134 GLU HA H 134 4.639 4.639 4.517 0.122 25104 10733 1 12 . 1 1 134 134 GLU C C 134 175.925 175.925 175.232 0.693 25104 10734 1 12 . 1 1 134 134 GLU CA C 134 55.235 55.235 55.822 -0.587 25104 10735 1 12 . 1 1 134 134 GLU CB C 134 32.909 32.909 32.217 0.692 25104 10736 1 12 . 1 1 134 134 GLU H H 134 7.571 7.571 7.556 0.015 25104 10737 1 12 . 1 1 135 135 GLY N N 135 108.109 108.109 108.199 -0.090 25104 10738 1 12 . 1 1 135 135 GLY C C 135 178.060 178.060 174.998 3.062 25104 10739 1 12 . 1 1 135 135 GLY CA C 135 46.195 46.195 45.782 0.412 25104 10740 1 12 . 1 1 135 135 GLY H H 135 8.695 8.695 8.396 0.299 25104 10741 1 12 . 1 1 136 136 MET N N 136 122.582 122.582 119.891 2.691 25104 10742 1 12 . 1 1 136 136 MET HA H 136 4.496 4.496 4.075 0.421 25104 10743 1 12 . 1 1 136 136 MET C C 136 178.649 178.649 176.793 1.856 25104 10744 1 12 . 1 1 136 136 MET CA C 136 56.829 56.829 56.365 0.464 25104 10745 1 12 . 1 1 136 136 MET CB C 136 30.215 30.215 32.333 -2.118 25104 10746 1 12 . 1 1 136 136 MET H H 136 8.854 8.854 8.255 0.599 25104 10747 1 12 . 1 1 137 137 ASN N N 137 114.457 114.457 116.992 -2.535 25104 10748 1 12 . 1 1 137 137 ASN HA H 137 4.504 4.504 4.560 -0.056 25104 10749 1 12 . 1 1 137 137 ASN C C 137 178.441 178.441 177.494 0.947 25104 10750 1 12 . 1 1 137 137 ASN CA C 137 55.819 55.819 56.498 -0.679 25104 10751 1 12 . 1 1 137 137 ASN CB C 137 36.016 36.016 38.192 -2.176 25104 10752 1 12 . 1 1 137 137 ASN H H 137 8.932 8.932 8.744 0.188 25104 10753 1 12 . 1 1 138 138 ILE N N 138 124.190 124.190 119.274 4.916 25104 10754 1 12 . 1 1 138 138 ILE HA H 138 3.800 3.800 3.944 -0.144 25104 10755 1 12 . 1 1 138 138 ILE C C 138 178.595 178.595 178.056 0.539 25104 10756 1 12 . 1 1 138 138 ILE CA C 138 61.581 61.581 63.039 -1.458 25104 10757 1 12 . 1 1 138 138 ILE CB C 138 34.468 34.468 37.043 -2.575 25104 10758 1 12 . 1 1 138 138 ILE H H 138 7.686 7.686 7.506 0.180 25104 10759 1 12 . 1 1 139 139 VAL N N 139 121.912 121.912 121.442 0.470 25104 10760 1 12 . 1 1 139 139 VAL HA H 139 3.879 3.879 3.688 0.191 25104 10761 1 12 . 1 1 139 139 VAL C C 139 179.051 179.051 178.410 0.641 25104 10762 1 12 . 1 1 139 139 VAL CA C 139 66.206 66.206 66.983 -0.777 25104 10763 1 12 . 1 1 139 139 VAL CB C 139 31.195 31.195 31.236 -0.041 25104 10764 1 12 . 1 1 139 139 VAL H H 139 7.286 7.286 7.591 -0.305 25104 10765 1 12 . 1 1 140 140 GLU N N 140 117.357 117.357 119.416 -2.059 25104 10766 1 12 . 1 1 140 140 GLU HA H 140 4.095 4.095 3.991 0.104 25104 10767 1 12 . 1 1 140 140 GLU C C 140 180.486 180.486 178.880 1.606 25104 10768 1 12 . 1 1 140 140 GLU CA C 140 59.336 59.336 59.315 0.021 25104 10769 1 12 . 1 1 140 140 GLU CB C 140 30.199 30.199 29.406 0.793 25104 10770 1 12 . 1 1 140 140 GLU H H 140 8.309 8.309 8.088 0.221 25104 10771 1 12 . 1 1 141 141 ALA N N 141 121.133 121.133 121.880 -0.747 25104 10772 1 12 . 1 1 141 141 ALA HA H 141 4.118 4.118 3.988 0.130 25104 10773 1 12 . 1 1 141 141 ALA C C 141 181.524 181.524 180.031 1.493 25104 10774 1 12 . 1 1 141 141 ALA CA C 141 54.771 54.771 54.928 -0.158 25104 10775 1 12 . 1 1 141 141 ALA CB C 141 18.207 18.207 18.408 -0.201 25104 10776 1 12 . 1 1 141 141 ALA H H 141 7.539 7.539 7.732 -0.193 25104 10777 1 12 . 1 1 142 142 MET N N 142 117.513 117.513 116.613 0.900 25104 10778 1 12 . 1 1 142 142 MET HA H 142 3.993 3.993 4.482 -0.489 25104 10779 1 12 . 1 1 142 142 MET C C 142 178.862 178.862 178.522 0.340 25104 10780 1 12 . 1 1 142 142 MET CA C 142 59.678 59.678 58.795 0.883 25104 10781 1 12 . 1 1 142 142 MET CB C 142 33.723 33.723 32.102 1.621 25104 10782 1 12 . 1 1 142 142 MET H H 142 8.284 8.284 8.297 -0.013 25104 10783 1 12 . 1 1 143 143 GLU N N 143 116.365 116.365 119.909 -3.544 25104 10784 1 12 . 1 1 143 143 GLU HA H 143 3.772 3.772 4.044 -0.272 25104 10785 1 12 . 1 1 143 143 GLU C C 143 179.051 179.051 178.565 0.486 25104 10786 1 12 . 1 1 143 143 GLU CA C 143 59.345 59.345 59.150 0.195 25104 10787 1 12 . 1 1 143 143 GLU CB C 143 30.470 30.470 29.484 0.986 25104 10788 1 12 . 1 1 143 143 GLU H H 143 7.853 7.853 8.040 -0.187 25104 10789 1 12 . 1 1 144 144 ARG N N 144 114.753 114.753 116.914 -2.161 25104 10790 1 12 . 1 1 144 144 ARG HA H 144 3.978 3.978 4.099 -0.121 25104 10791 1 12 . 1 1 144 144 ARG C C 144 178.222 178.222 177.049 1.173 25104 10792 1 12 . 1 1 144 144 ARG CA C 144 57.669 57.669 57.381 0.288 25104 10793 1 12 . 1 1 144 144 ARG CB C 144 29.523 29.523 30.091 -0.568 25104 10794 1 12 . 1 1 144 144 ARG H H 144 7.082 7.082 7.390 -0.308 25104 10795 1 12 . 1 1 145 145 PHE N N 145 115.388 115.388 117.367 -1.979 25104 10796 1 12 . 1 1 145 145 PHE HA H 145 4.851 4.851 4.554 0.297 25104 10797 1 12 . 1 1 145 145 PHE C C 145 176.868 176.868 175.084 1.784 25104 10798 1 12 . 1 1 145 145 PHE CA C 145 57.717 57.717 58.240 -0.523 25104 10799 1 12 . 1 1 145 145 PHE CB C 145 38.998 38.998 38.695 0.303 25104 10800 1 12 . 1 1 145 145 PHE H H 145 7.651 7.651 7.425 0.226 25104 10801 1 12 . 1 1 146 146 GLY N N 146 104.842 104.842 107.215 -2.373 25104 10802 1 12 . 1 1 146 146 GLY C C 146 172.946 172.946 173.356 -0.410 25104 10803 1 12 . 1 1 146 146 GLY CA C 146 44.065 44.065 43.980 0.085 25104 10804 1 12 . 1 1 146 146 GLY H H 146 7.551 7.551 7.607 -0.056 25104 10805 1 12 . 1 1 147 147 SER N N 147 110.079 110.079 112.735 -2.656 25104 10806 1 12 . 1 1 147 147 SER HA H 147 4.813 4.813 4.829 -0.016 25104 10807 1 12 . 1 1 147 147 SER C C 147 176.384 176.384 174.528 1.856 25104 10808 1 12 . 1 1 147 147 SER CA C 147 58.165 58.165 57.122 1.043 25104 10809 1 12 . 1 1 147 147 SER CB C 147 65.804 65.804 66.740 -0.936 25104 10810 1 12 . 1 1 147 147 SER H H 147 8.229 8.229 8.110 0.119 25104 10811 1 12 . 1 1 148 148 ARG N N 148 120.299 120.299 120.739 -0.440 25104 10812 1 12 . 1 1 148 148 ARG HA H 148 4.221 4.221 4.098 0.123 25104 10813 1 12 . 1 1 148 148 ARG C C 148 177.709 177.709 176.813 0.896 25104 10814 1 12 . 1 1 148 148 ARG CA C 148 59.810 59.810 58.752 1.058 25104 10815 1 12 . 1 1 148 148 ARG CB C 148 29.896 29.896 30.221 -0.325 25104 10816 1 12 . 1 1 148 148 ARG H H 148 8.850 8.850 8.649 0.201 25104 10817 1 12 . 1 1 149 149 ASN N N 149 111.689 111.689 113.746 -2.057 25104 10818 1 12 . 1 1 149 149 ASN HA H 149 4.901 4.901 4.665 0.236 25104 10819 1 12 . 1 1 149 149 ASN C C 149 177.708 177.708 176.129 1.579 25104 10820 1 12 . 1 1 149 149 ASN CA C 149 52.305 52.305 53.367 -1.062 25104 10821 1 12 . 1 1 149 149 ASN CB C 149 38.477 38.477 37.695 0.782 25104 10822 1 12 . 1 1 149 149 ASN H H 149 7.891 7.891 8.223 -0.332 25104 10823 1 12 . 1 1 150 150 GLY N N 150 110.138 110.138 107.476 2.662 25104 10824 1 12 . 1 1 150 150 GLY C C 150 174.368 174.368 173.658 0.710 25104 10825 1 12 . 1 1 150 150 GLY CA C 150 45.257 45.257 44.707 0.550 25104 10826 1 12 . 1 1 150 150 GLY H H 150 8.087 8.087 7.915 0.172 25104 10827 1 12 . 1 1 151 151 LYS N N 151 119.859 119.859 123.306 -3.447 25104 10828 1 12 . 1 1 151 151 LYS HA H 151 4.466 4.466 4.247 0.219 25104 10829 1 12 . 1 1 151 151 LYS C C 151 179.533 179.533 175.599 3.934 25104 10830 1 12 . 1 1 151 151 LYS CA C 151 57.088 57.088 56.584 0.504 25104 10831 1 12 . 1 1 151 151 LYS CB C 151 32.435 32.435 33.124 -0.689 25104 10832 1 12 . 1 1 151 151 LYS H H 151 7.534 7.534 7.829 -0.295 25104 10833 1 12 . 1 1 152 152 THR N N 152 116.442 116.442 118.534 -2.092 25104 10834 1 12 . 1 1 152 152 THR HA H 152 5.579 5.579 4.562 1.017 25104 10835 1 12 . 1 1 152 152 THR C C 152 176.969 176.969 175.379 1.590 25104 10836 1 12 . 1 1 152 152 THR CA C 152 60.097 60.097 61.587 -1.490 25104 10837 1 12 . 1 1 152 152 THR CB C 152 71.324 71.324 69.155 2.169 25104 10838 1 12 . 1 1 152 152 THR H H 152 8.837 8.837 8.187 0.650 25104 10839 1 12 . 1 1 153 153 SER N N 153 117.113 117.113 120.195 -3.082 25104 10840 1 12 . 1 1 153 153 SER HA H 153 4.574 4.574 4.310 0.264 25104 10841 1 12 . 1 1 153 153 SER C C 153 175.737 175.737 174.822 0.915 25104 10842 1 12 . 1 1 153 153 SER CA C 153 58.222 58.222 60.734 -2.512 25104 10843 1 12 . 1 1 153 153 SER CB C 153 63.922 63.922 63.492 0.430 25104 10844 1 12 . 1 1 153 153 SER H H 153 9.424 9.424 8.748 0.676 25104 10845 1 12 . 1 1 154 154 LYS N N 154 119.347 119.347 119.075 0.272 25104 10846 1 12 . 1 1 154 154 LYS HA H 154 4.594 4.594 4.595 -0.001 25104 10847 1 12 . 1 1 154 154 LYS C C 154 175.436 175.436 174.938 0.498 25104 10848 1 12 . 1 1 154 154 LYS CA C 154 54.578 54.578 53.609 0.969 25104 10849 1 12 . 1 1 154 154 LYS CB C 154 38.443 38.443 34.606 3.837 25104 10850 1 12 . 1 1 154 154 LYS H H 154 7.566 7.566 7.400 0.166 25104 10851 1 12 . 1 1 155 155 LYS N N 155 121.869 121.869 124.835 -2.966 25104 10852 1 12 . 1 1 155 155 LYS HA H 155 4.348 4.348 4.352 -0.004 25104 10853 1 12 . 1 1 155 155 LYS C C 155 176.946 176.946 175.458 1.488 25104 10854 1 12 . 1 1 155 155 LYS CA C 155 56.325 56.325 55.335 0.990 25104 10855 1 12 . 1 1 155 155 LYS CB C 155 32.136 32.136 31.070 1.066 25104 10856 1 12 . 1 1 155 155 LYS H H 155 8.820 8.820 8.556 0.264 25104 10857 1 12 . 1 1 156 156 ILE N N 156 134.145 134.145 127.509 6.636 25104 10858 1 12 . 1 1 156 156 ILE HA H 156 5.134 5.134 5.030 0.104 25104 10859 1 12 . 1 1 156 156 ILE C C 156 177.451 177.451 175.633 1.818 25104 10860 1 12 . 1 1 156 156 ILE CA C 156 59.538 59.538 60.658 -1.120 25104 10861 1 12 . 1 1 156 156 ILE CB C 156 37.167 37.167 38.021 -0.854 25104 10862 1 12 . 1 1 156 156 ILE H H 156 9.609 9.609 7.824 1.785 25104 10863 1 12 . 1 1 157 157 THR N N 157 117.447 117.447 117.868 -0.421 25104 10864 1 12 . 1 1 157 157 THR HA H 157 5.311 5.311 5.432 -0.121 25104 10865 1 12 . 1 1 157 157 THR C C 157 174.572 174.572 174.385 0.187 25104 10866 1 12 . 1 1 157 157 THR CA C 157 59.679 59.679 59.242 0.437 25104 10867 1 12 . 1 1 157 157 THR CB C 157 72.708 72.708 72.275 0.433 25104 10868 1 12 . 1 1 157 157 THR H H 157 9.281 9.281 8.719 0.562 25104 10869 1 12 . 1 1 158 158 ILE N N 158 121.950 121.950 123.254 -1.304 25104 10870 1 12 . 1 1 158 158 ILE HA H 158 4.293 4.293 4.392 -0.099 25104 10871 1 12 . 1 1 158 158 ILE C C 158 175.631 175.631 176.733 -1.102 25104 10872 1 12 . 1 1 158 158 ILE CA C 158 60.992 60.992 61.831 -0.839 25104 10873 1 12 . 1 1 158 158 ILE CB C 158 36.826 36.826 36.612 0.214 25104 10874 1 12 . 1 1 158 158 ILE H H 158 8.624 8.624 8.402 0.222 25104 10875 1 12 . 1 1 159 159 ALA N N 159 132.727 132.727 130.273 2.454 25104 10876 1 12 . 1 1 159 159 ALA HA H 159 4.179 4.179 4.011 0.168 25104 10877 1 12 . 1 1 159 159 ALA C C 159 179.489 179.489 176.721 2.768 25104 10878 1 12 . 1 1 159 159 ALA CA C 159 54.243 54.243 54.824 -0.581 25104 10879 1 12 . 1 1 159 159 ALA CB C 159 18.804 18.804 19.384 -0.581 25104 10880 1 12 . 1 1 159 159 ALA H H 159 8.910 8.910 8.763 0.147 25104 10881 1 12 . 1 1 160 160 ASP N N 160 111.561 111.561 113.218 -1.657 25104 10882 1 12 . 1 1 160 160 ASP HA H 160 4.937 4.937 4.892 0.045 25104 10883 1 12 . 1 1 160 160 ASP C C 160 173.920 173.920 174.080 -0.160 25104 10884 1 12 . 1 1 160 160 ASP CA C 160 52.873 52.873 53.768 -0.895 25104 10885 1 12 . 1 1 160 160 ASP CB C 160 43.620 43.620 43.647 -0.027 25104 10886 1 12 . 1 1 160 160 ASP H H 160 8.107 8.107 7.579 0.528 25104 10887 1 12 . 1 1 161 161 CYS N N 161 116.145 116.145 119.304 -3.159 25104 10888 1 12 . 1 1 161 161 CYS HA H 161 4.626 4.626 5.827 -1.201 25104 10889 1 12 . 1 1 161 161 CYS C C 161 173.426 173.426 174.712 -1.286 25104 10890 1 12 . 1 1 161 161 CYS CA C 161 55.518 55.518 55.402 0.116 25104 10891 1 12 . 1 1 161 161 CYS CB C 161 31.463 31.463 32.302 -0.839 25104 10892 1 12 . 1 1 161 161 CYS H H 161 8.640 8.640 8.427 0.213 25104 10893 1 12 . 1 1 162 162 GLY N N 162 104.114 104.114 108.289 -4.175 25104 10894 1 12 . 1 1 162 162 GLY C C 162 171.116 171.116 173.160 -2.044 25104 10895 1 12 . 1 1 162 162 GLY CA C 162 45.436 45.436 44.997 0.439 25104 10896 1 12 . 1 1 162 162 GLY H H 162 6.889 6.889 8.554 -1.665 25104 10897 1 12 . 1 1 163 163 GLN N N 163 121.022 121.022 119.100 1.922 25104 10898 1 12 . 1 1 163 163 GLN HA H 163 5.150 5.150 4.262 0.888 25104 10899 1 12 . 1 1 163 163 GLN C C 163 176.548 176.548 174.842 1.706 25104 10900 1 12 . 1 1 163 163 GLN CA C 163 54.794 54.794 56.009 -1.215 25104 10901 1 12 . 1 1 163 163 GLN CB C 163 30.765 30.765 29.168 1.597 25104 10902 1 12 . 1 1 163 163 GLN H H 163 9.062 9.062 8.051 1.011 25104 10903 1 12 . 1 1 164 164 LEU N N 164 126.034 126.034 126.392 -0.358 25104 10904 1 12 . 1 1 164 164 LEU HA H 164 4.641 4.641 4.368 0.273 25104 10905 1 12 . 1 1 164 164 LEU C C 164 177.108 177.108 176.000 1.108 25104 10906 1 12 . 1 1 164 164 LEU CA C 164 55.036 55.036 54.596 0.440 25104 10907 1 12 . 1 1 164 164 LEU CB C 164 43.560 43.560 40.928 2.632 25104 10908 1 12 . 1 1 164 164 LEU H H 164 8.639 8.639 8.357 0.282 25104 10909 1 13 . 1 1 2 2 VAL N N 2 111.261 111.261 121.195 -9.934 25104 10910 1 13 . 1 1 2 2 VAL HA H 2 4.126 4.126 4.095 0.031 25104 10911 1 13 . 1 1 2 2 VAL C C 2 176.404 176.404 174.840 1.564 25104 10912 1 13 . 1 1 2 2 VAL CA C 2 61.417 61.417 62.390 -0.973 25104 10913 1 13 . 1 1 2 2 VAL CB C 2 33.763 33.763 32.437 1.326 25104 10914 1 13 . 1 1 2 2 VAL H H 2 8.447 8.447 8.549 -0.102 25104 10915 1 13 . 1 1 3 3 ASN N N 3 126.056 126.056 119.764 6.292 25104 10916 1 13 . 1 1 3 3 ASN HA H 3 5.205 5.205 4.820 0.385 25104 10917 1 13 . 1 1 3 3 ASN CA C 3 50.987 50.987 52.605 -1.619 25104 10918 1 13 . 1 1 3 3 ASN CB C 3 38.031 38.031 38.278 -0.247 25104 10919 1 13 . 1 1 3 3 ASN H H 3 8.666 8.666 8.011 0.655 25104 10920 1 13 . 1 1 4 4 PRO HA H 4 4.818 4.818 4.385 0.433 25104 10921 1 13 . 1 1 4 4 PRO C C 4 176.242 176.242 176.298 -0.056 25104 10922 1 13 . 1 1 4 4 PRO CA C 4 62.832 62.832 62.793 0.039 25104 10923 1 13 . 1 1 4 4 PRO CB C 4 33.162 33.162 32.619 0.543 25104 10924 1 13 . 1 1 5 5 THR N N 5 115.265 115.265 120.818 -5.553 25104 10925 1 13 . 1 1 5 5 THR HA H 5 5.759 5.759 5.074 0.685 25104 10926 1 13 . 1 1 5 5 THR C C 5 176.483 176.483 174.125 2.358 25104 10927 1 13 . 1 1 5 5 THR CA C 5 60.867 60.867 62.427 -1.560 25104 10928 1 13 . 1 1 5 5 THR CB C 5 71.050 71.050 69.427 1.623 25104 10929 1 13 . 1 1 5 5 THR H H 5 8.787 8.787 7.964 0.823 25104 10930 1 13 . 1 1 6 6 VAL N N 6 120.640 120.640 124.176 -3.536 25104 10931 1 13 . 1 1 6 6 VAL HA H 6 5.379 5.379 4.397 0.982 25104 10932 1 13 . 1 1 6 6 VAL C C 6 174.710 174.710 173.665 1.045 25104 10933 1 13 . 1 1 6 6 VAL CA C 6 58.881 58.881 60.999 -2.118 25104 10934 1 13 . 1 1 6 6 VAL CB C 6 36.180 36.180 32.522 3.658 25104 10935 1 13 . 1 1 6 6 VAL H H 6 8.805 8.805 8.603 0.202 25104 10936 1 13 . 1 1 7 7 PHE N N 7 119.359 119.359 127.872 -8.513 25104 10937 1 13 . 1 1 7 7 PHE HA H 7 5.948 5.948 5.199 0.749 25104 10938 1 13 . 1 1 7 7 PHE C C 7 173.634 173.634 173.606 0.028 25104 10939 1 13 . 1 1 7 7 PHE CA C 7 55.925 55.925 56.145 -0.220 25104 10940 1 13 . 1 1 7 7 PHE CB C 7 43.166 43.166 42.026 1.140 25104 10941 1 13 . 1 1 7 7 PHE H H 7 8.995 8.995 8.312 0.683 25104 10942 1 13 . 1 1 8 8 PHE N N 8 117.097 117.097 123.848 -6.751 25104 10943 1 13 . 1 1 8 8 PHE HA H 8 5.367 5.367 5.278 0.089 25104 10944 1 13 . 1 1 8 8 PHE C C 8 176.000 176.000 174.004 1.996 25104 10945 1 13 . 1 1 8 8 PHE CA C 8 53.460 53.460 55.768 -2.308 25104 10946 1 13 . 1 1 8 8 PHE CB C 8 42.791 42.791 43.584 -0.793 25104 10947 1 13 . 1 1 8 8 PHE H H 8 9.571 9.571 8.581 0.990 25104 10948 1 13 . 1 1 9 9 ASP N N 9 124.287 124.287 122.194 2.093 25104 10949 1 13 . 1 1 9 9 ASP HA H 9 5.585 5.585 5.112 0.473 25104 10950 1 13 . 1 1 9 9 ASP C C 9 176.286 176.286 174.969 1.317 25104 10951 1 13 . 1 1 9 9 ASP CA C 9 54.831 54.831 53.814 1.017 25104 10952 1 13 . 1 1 9 9 ASP CB C 9 41.366 41.366 42.842 -1.476 25104 10953 1 13 . 1 1 9 9 ASP H H 9 9.301 9.301 8.724 0.577 25104 10954 1 13 . 1 1 10 10 ILE N N 10 124.286 124.286 124.211 0.075 25104 10955 1 13 . 1 1 10 10 ILE HA H 10 5.213 5.213 4.212 1.001 25104 10956 1 13 . 1 1 10 10 ILE C C 10 177.031 177.031 174.727 2.304 25104 10957 1 13 . 1 1 10 10 ILE CA C 10 58.233 58.233 59.444 -1.211 25104 10958 1 13 . 1 1 10 10 ILE CB C 10 37.769 37.769 36.524 1.245 25104 10959 1 13 . 1 1 10 10 ILE H H 10 9.059 9.059 8.300 0.759 25104 10960 1 13 . 1 1 11 11 ALA N N 11 132.503 132.503 132.070 0.433 25104 10961 1 13 . 1 1 11 11 ALA HA H 11 5.216 5.216 4.833 0.383 25104 10962 1 13 . 1 1 11 11 ALA C C 11 175.928 175.928 175.612 0.316 25104 10963 1 13 . 1 1 11 11 ALA CA C 11 50.948 50.948 50.335 0.613 25104 10964 1 13 . 1 1 11 11 ALA CB C 11 22.804 22.804 20.856 1.948 25104 10965 1 13 . 1 1 11 11 ALA H H 11 9.642 9.642 9.005 0.637 25104 10966 1 13 . 1 1 12 12 VAL N N 12 118.551 118.551 125.517 -6.966 25104 10967 1 13 . 1 1 12 12 VAL HA H 12 4.578 4.578 4.111 0.467 25104 10968 1 13 . 1 1 12 12 VAL C C 12 177.347 177.347 176.261 1.086 25104 10969 1 13 . 1 1 12 12 VAL CA C 12 60.457 60.457 62.027 -1.570 25104 10970 1 13 . 1 1 12 12 VAL CB C 12 33.301 33.301 32.401 0.900 25104 10971 1 13 . 1 1 12 12 VAL H H 12 8.984 8.984 8.064 0.920 25104 10972 1 13 . 1 1 13 13 ASP N N 13 131.009 131.009 128.579 2.430 25104 10973 1 13 . 1 1 13 13 ASP HA H 13 4.359 4.359 4.178 0.181 25104 10974 1 13 . 1 1 13 13 ASP C C 13 176.795 176.795 176.641 0.154 25104 10975 1 13 . 1 1 13 13 ASP CA C 13 55.880 55.880 55.439 0.441 25104 10976 1 13 . 1 1 13 13 ASP CB C 13 39.999 39.999 39.666 0.333 25104 10977 1 13 . 1 1 13 13 ASP H H 13 9.868 9.868 8.860 1.008 25104 10978 1 13 . 1 1 14 14 GLY N N 14 101.848 101.848 104.259 -2.411 25104 10979 1 13 . 1 1 14 14 GLY C C 14 174.700 174.700 174.307 0.393 25104 10980 1 13 . 1 1 14 14 GLY CA C 14 45.303 45.303 45.401 -0.098 25104 10981 1 13 . 1 1 14 14 GLY H H 14 8.578 8.578 7.904 0.674 25104 10982 1 13 . 1 1 15 15 GLU N N 15 123.331 123.331 121.502 1.829 25104 10983 1 13 . 1 1 15 15 GLU HA H 15 4.891 4.891 4.721 0.170 25104 10984 1 13 . 1 1 15 15 GLU CA C 15 52.932 52.932 52.854 0.078 25104 10985 1 13 . 1 1 15 15 GLU CB C 15 30.468 30.468 29.768 0.700 25104 10986 1 13 . 1 1 15 15 GLU H H 15 8.086 8.086 7.599 0.487 25104 10987 1 13 . 1 1 16 16 PRO HA H 16 4.240 4.240 4.397 -0.157 25104 10988 1 13 . 1 1 16 16 PRO C C 16 177.072 177.072 176.365 0.707 25104 10989 1 13 . 1 1 16 16 PRO CA C 16 64.838 64.838 63.619 1.219 25104 10990 1 13 . 1 1 16 16 PRO CB C 16 32.368 32.368 31.515 0.853 25104 10991 1 13 . 1 1 17 17 LEU N N 17 126.051 126.051 127.077 -1.026 25104 10992 1 13 . 1 1 17 17 LEU HA H 17 4.739 4.739 4.225 0.514 25104 10993 1 13 . 1 1 17 17 LEU C C 17 176.975 176.975 176.767 0.208 25104 10994 1 13 . 1 1 17 17 LEU CA C 17 55.511 55.511 55.650 -0.139 25104 10995 1 13 . 1 1 17 17 LEU CB C 17 44.257 44.257 42.984 1.273 25104 10996 1 13 . 1 1 17 17 LEU H H 17 9.237 9.237 8.593 0.644 25104 10997 1 13 . 1 1 18 18 GLY N N 18 102.496 102.496 105.584 -3.088 25104 10998 1 13 . 1 1 18 18 GLY C C 18 170.997 170.997 171.553 -0.556 25104 10999 1 13 . 1 1 18 18 GLY CA C 18 44.713 44.713 44.823 -0.110 25104 11000 1 13 . 1 1 18 18 GLY H H 18 7.303 7.303 7.459 -0.156 25104 11001 1 13 . 1 1 19 19 ARG N N 19 121.330 121.330 120.078 1.252 25104 11002 1 13 . 1 1 19 19 ARG HA H 19 5.665 5.665 4.733 0.932 25104 11003 1 13 . 1 1 19 19 ARG C C 19 176.011 176.011 175.241 0.770 25104 11004 1 13 . 1 1 19 19 ARG CA C 19 55.106 55.106 55.318 -0.212 25104 11005 1 13 . 1 1 19 19 ARG CB C 19 33.587 33.587 32.117 1.470 25104 11006 1 13 . 1 1 19 19 ARG H H 19 8.348 8.348 8.387 -0.039 25104 11007 1 13 . 1 1 20 20 VAL N N 20 126.859 126.859 125.242 1.617 25104 11008 1 13 . 1 1 20 20 VAL HA H 20 4.650 4.650 4.460 0.190 25104 11009 1 13 . 1 1 20 20 VAL C C 20 174.836 174.836 174.368 0.468 25104 11010 1 13 . 1 1 20 20 VAL CA C 20 59.966 59.966 60.271 -0.305 25104 11011 1 13 . 1 1 20 20 VAL CB C 20 35.034 35.034 34.774 0.260 25104 11012 1 13 . 1 1 20 20 VAL H H 20 9.400 9.400 8.327 1.073 25104 11013 1 13 . 1 1 21 21 SER N N 21 120.319 120.319 120.467 -0.148 25104 11014 1 13 . 1 1 21 21 SER HA H 21 5.565 5.565 5.451 0.114 25104 11015 1 13 . 1 1 21 21 SER C C 21 174.694 174.694 173.433 1.261 25104 11016 1 13 . 1 1 21 21 SER CA C 21 55.462 55.462 56.741 -1.279 25104 11017 1 13 . 1 1 21 21 SER CB C 21 66.546 66.546 65.764 0.782 25104 11018 1 13 . 1 1 21 21 SER H H 21 8.791 8.791 8.397 0.394 25104 11019 1 13 . 1 1 22 22 PHE N N 22 119.239 119.239 122.559 -3.320 25104 11020 1 13 . 1 1 22 22 PHE HA H 22 5.279 5.279 4.892 0.387 25104 11021 1 13 . 1 1 22 22 PHE C C 22 176.190 176.190 174.879 1.311 25104 11022 1 13 . 1 1 22 22 PHE CA C 22 55.882 55.882 56.661 -0.779 25104 11023 1 13 . 1 1 22 22 PHE CB C 22 42.673 42.673 41.813 0.860 25104 11024 1 13 . 1 1 22 22 PHE H H 22 9.553 9.553 9.264 0.289 25104 11025 1 13 . 1 1 23 23 GLU N N 23 123.308 123.308 121.781 1.527 25104 11026 1 13 . 1 1 23 23 GLU HA H 23 4.797 4.797 4.615 0.182 25104 11027 1 13 . 1 1 23 23 GLU C C 23 175.673 175.673 175.490 0.183 25104 11028 1 13 . 1 1 23 23 GLU CA C 23 55.119 55.119 54.555 0.564 25104 11029 1 13 . 1 1 23 23 GLU CB C 23 32.058 32.058 30.492 1.566 25104 11030 1 13 . 1 1 23 23 GLU H H 23 8.791 8.791 8.904 -0.113 25104 11031 1 13 . 1 1 24 24 LEU N N 24 122.539 122.539 127.218 -4.679 25104 11032 1 13 . 1 1 24 24 LEU HA H 24 4.749 4.749 4.738 0.011 25104 11033 1 13 . 1 1 24 24 LEU C C 24 178.229 178.229 177.208 1.021 25104 11034 1 13 . 1 1 24 24 LEU CA C 24 51.899 51.899 54.206 -2.307 25104 11035 1 13 . 1 1 24 24 LEU CB C 24 43.248 43.248 42.423 0.825 25104 11036 1 13 . 1 1 24 24 LEU H H 24 8.198 8.198 8.477 -0.279 25104 11037 1 13 . 1 1 25 25 PHE N N 25 124.715 124.715 123.708 1.007 25104 11038 1 13 . 1 1 25 25 PHE HA H 25 5.171 5.171 4.824 0.347 25104 11039 1 13 . 1 1 25 25 PHE C C 25 177.485 177.485 175.737 1.748 25104 11040 1 13 . 1 1 25 25 PHE CA C 25 54.699 54.699 57.373 -2.674 25104 11041 1 13 . 1 1 25 25 PHE CB C 25 36.100 36.100 36.691 -0.591 25104 11042 1 13 . 1 1 25 25 PHE H H 25 8.864 8.864 9.166 -0.302 25104 11043 1 13 . 1 1 26 26 ALA N N 26 128.663 128.663 124.991 3.672 25104 11044 1 13 . 1 1 26 26 ALA HA H 26 3.838 3.838 4.357 -0.519 25104 11045 1 13 . 1 1 26 26 ALA C C 26 177.291 177.291 178.570 -1.279 25104 11046 1 13 . 1 1 26 26 ALA CA C 26 54.316 54.316 54.839 -0.523 25104 11047 1 13 . 1 1 26 26 ALA CB C 26 19.002 19.002 18.897 0.105 25104 11048 1 13 . 1 1 26 26 ALA H H 26 8.480 8.480 7.751 0.729 25104 11049 1 13 . 1 1 27 27 ASP N N 27 114.191 114.191 116.137 -1.946 25104 11050 1 13 . 1 1 27 27 ASP HA H 27 4.197 4.197 4.441 -0.244 25104 11051 1 13 . 1 1 27 27 ASP C C 27 177.976 177.976 177.178 0.798 25104 11052 1 13 . 1 1 27 27 ASP CA C 27 55.410 55.410 56.313 -0.903 25104 11053 1 13 . 1 1 27 27 ASP CB C 27 38.821 38.821 40.224 -1.403 25104 11054 1 13 . 1 1 27 27 ASP H H 27 9.145 9.145 8.727 0.418 25104 11055 1 13 . 1 1 28 28 LYS N N 28 118.107 118.107 118.228 -0.121 25104 11056 1 13 . 1 1 28 28 LYS HA H 28 4.599 4.599 4.436 0.163 25104 11057 1 13 . 1 1 28 28 LYS C C 28 177.840 177.840 177.159 0.681 25104 11058 1 13 . 1 1 28 28 LYS CA C 28 56.262 56.262 57.490 -1.228 25104 11059 1 13 . 1 1 28 28 LYS CB C 28 36.006 36.006 35.076 0.930 25104 11060 1 13 . 1 1 28 28 LYS H H 28 7.569 7.569 7.663 -0.094 25104 11061 1 13 . 1 1 29 29 VAL N N 29 114.551 114.551 114.930 -0.379 25104 11062 1 13 . 1 1 29 29 VAL HA H 29 4.487 4.487 4.706 -0.219 25104 11063 1 13 . 1 1 29 29 VAL CA C 29 58.309 58.309 58.676 -0.367 25104 11064 1 13 . 1 1 29 29 VAL CB C 29 32.078 32.078 31.827 0.251 25104 11065 1 13 . 1 1 29 29 VAL H H 29 8.364 8.364 8.112 0.252 25104 11066 1 13 . 1 1 30 30 PRO HA H 30 4.450 4.450 4.332 0.118 25104 11067 1 13 . 1 1 30 30 PRO C C 30 181.892 181.892 178.507 3.385 25104 11068 1 13 . 1 1 30 30 PRO CA C 30 66.227 66.227 66.061 0.166 25104 11069 1 13 . 1 1 30 30 PRO CB C 30 31.547 31.547 32.062 -0.515 25104 11070 1 13 . 1 1 31 31 LYS N N 31 123.785 123.785 117.452 6.333 25104 11071 1 13 . 1 1 31 31 LYS HA H 31 4.105 4.105 4.147 -0.042 25104 11072 1 13 . 1 1 31 31 LYS C C 31 182.749 182.749 178.924 3.825 25104 11073 1 13 . 1 1 31 31 LYS CA C 31 61.057 61.057 59.560 1.497 25104 11074 1 13 . 1 1 31 31 LYS CB C 31 32.468 32.468 32.373 0.095 25104 11075 1 13 . 1 1 31 31 LYS H H 31 10.684 10.684 8.030 2.654 25104 11076 1 13 . 1 1 32 32 THR N N 32 124.002 124.002 115.866 8.136 25104 11077 1 13 . 1 1 32 32 THR HA H 32 4.034 4.034 4.128 -0.094 25104 11078 1 13 . 1 1 32 32 THR C C 32 178.673 178.673 176.145 2.528 25104 11079 1 13 . 1 1 32 32 THR CA C 32 67.526 67.526 66.959 0.567 25104 11080 1 13 . 1 1 32 32 THR CB C 32 68.705 68.705 68.601 0.104 25104 11081 1 13 . 1 1 32 32 THR H H 32 10.320 10.320 8.191 2.129 25104 11082 1 13 . 1 1 33 33 ALA N N 33 125.616 125.616 123.187 2.429 25104 11083 1 13 . 1 1 33 33 ALA HA H 33 4.092 4.092 4.262 -0.170 25104 11084 1 13 . 1 1 33 33 ALA C C 33 179.174 179.174 178.902 0.272 25104 11085 1 13 . 1 1 33 33 ALA CA C 33 55.972 55.972 54.715 1.257 25104 11086 1 13 . 1 1 33 33 ALA CB C 33 18.414 18.414 18.323 0.091 25104 11087 1 13 . 1 1 33 33 ALA H H 33 9.311 9.311 7.859 1.452 25104 11088 1 13 . 1 1 34 34 GLU N N 34 117.376 117.376 119.677 -2.301 25104 11089 1 13 . 1 1 34 34 GLU HA H 34 4.556 4.556 3.923 0.633 25104 11090 1 13 . 1 1 34 34 GLU C C 34 178.418 178.418 178.492 -0.074 25104 11091 1 13 . 1 1 34 34 GLU CA C 34 58.238 58.238 59.518 -1.280 25104 11092 1 13 . 1 1 34 34 GLU CB C 34 28.181 28.181 29.596 -1.415 25104 11093 1 13 . 1 1 34 34 GLU H H 34 8.069 8.069 7.952 0.117 25104 11094 1 13 . 1 1 35 35 ASN N N 35 115.722 115.722 118.240 -2.518 25104 11095 1 13 . 1 1 35 35 ASN HA H 35 4.108 4.108 4.185 -0.077 25104 11096 1 13 . 1 1 35 35 ASN C C 35 175.568 175.568 177.127 -1.559 25104 11097 1 13 . 1 1 35 35 ASN CA C 35 56.768 56.768 55.918 0.850 25104 11098 1 13 . 1 1 35 35 ASN CB C 35 39.644 39.644 38.046 1.598 25104 11099 1 13 . 1 1 35 35 ASN H H 35 7.193 7.193 7.916 -0.723 25104 11100 1 13 . 1 1 36 36 PHE N N 36 117.929 117.929 120.175 -2.246 25104 11101 1 13 . 1 1 36 36 PHE HA H 36 4.158 4.158 4.033 0.125 25104 11102 1 13 . 1 1 36 36 PHE C C 36 179.707 179.707 177.364 2.343 25104 11103 1 13 . 1 1 36 36 PHE CA C 36 61.589 61.589 60.855 0.734 25104 11104 1 13 . 1 1 36 36 PHE CB C 36 39.948 39.948 39.088 0.860 25104 11105 1 13 . 1 1 36 36 PHE H H 36 7.065 7.065 7.259 -0.194 25104 11106 1 13 . 1 1 37 37 ARG N N 37 121.048 121.048 120.927 0.121 25104 11107 1 13 . 1 1 37 37 ARG HA H 37 3.685 3.685 3.884 -0.199 25104 11108 1 13 . 1 1 37 37 ARG C C 37 179.000 179.000 177.919 1.081 25104 11109 1 13 . 1 1 37 37 ARG CA C 37 60.515 60.515 59.736 0.779 25104 11110 1 13 . 1 1 37 37 ARG CB C 37 29.880 29.880 30.238 -0.358 25104 11111 1 13 . 1 1 37 37 ARG H H 37 8.975 8.975 8.226 0.749 25104 11112 1 13 . 1 1 38 38 ALA N N 38 119.232 119.232 120.954 -1.722 25104 11113 1 13 . 1 1 38 38 ALA HA H 38 4.126 4.126 4.473 -0.347 25104 11114 1 13 . 1 1 38 38 ALA C C 38 183.365 183.365 179.896 3.469 25104 11115 1 13 . 1 1 38 38 ALA CA C 38 54.477 54.477 54.180 0.297 25104 11116 1 13 . 1 1 38 38 ALA CB C 38 18.405 18.405 18.639 -0.234 25104 11117 1 13 . 1 1 38 38 ALA H H 38 8.741 8.741 7.678 1.063 25104 11118 1 13 . 1 1 39 39 LEU N N 39 120.723 120.723 119.003 1.720 25104 11119 1 13 . 1 1 39 39 LEU HA H 39 3.800 3.800 4.186 -0.386 25104 11120 1 13 . 1 1 39 39 LEU C C 39 180.481 180.481 178.601 1.880 25104 11121 1 13 . 1 1 39 39 LEU CA C 39 57.268 57.268 57.683 -0.415 25104 11122 1 13 . 1 1 39 39 LEU CB C 39 41.218 41.218 41.585 -0.367 25104 11123 1 13 . 1 1 39 39 LEU H H 39 8.212 8.212 7.820 0.392 25104 11124 1 13 . 1 1 40 40 SER N N 40 119.210 119.210 115.216 3.994 25104 11125 1 13 . 1 1 40 40 SER HA H 40 4.341 4.341 4.156 0.185 25104 11126 1 13 . 1 1 40 40 SER C C 40 175.380 175.380 176.621 -1.241 25104 11127 1 13 . 1 1 40 40 SER CA C 40 62.924 62.924 61.909 1.015 25104 11128 1 13 . 1 1 40 40 SER CB C 40 62.992 62.992 63.051 -0.059 25104 11129 1 13 . 1 1 40 40 SER H H 40 7.938 7.938 8.200 -0.262 25104 11130 1 13 . 1 1 41 41 THR N N 41 108.556 108.556 113.168 -4.612 25104 11131 1 13 . 1 1 41 41 THR HA H 41 4.508 4.508 4.175 0.333 25104 11132 1 13 . 1 1 41 41 THR C C 41 179.088 179.088 176.165 2.923 25104 11133 1 13 . 1 1 41 41 THR CA C 41 62.492 62.492 63.986 -1.494 25104 11134 1 13 . 1 1 41 41 THR CB C 41 69.663 69.663 68.985 0.678 25104 11135 1 13 . 1 1 41 41 THR H H 41 8.017 8.017 7.844 0.173 25104 11136 1 13 . 1 1 42 42 GLY N N 42 108.433 108.433 110.232 -1.799 25104 11137 1 13 . 1 1 42 42 GLY C C 42 178.676 178.676 175.879 2.797 25104 11138 1 13 . 1 1 42 42 GLY CA C 42 45.840 45.840 45.875 -0.035 25104 11139 1 13 . 1 1 42 42 GLY H H 42 7.621 7.621 7.705 -0.084 25104 11140 1 13 . 1 1 43 43 GLU N N 43 118.777 118.777 119.907 -1.130 25104 11141 1 13 . 1 1 43 43 GLU HA H 43 4.171 4.171 4.070 0.101 25104 11142 1 13 . 1 1 43 43 GLU C C 43 177.458 177.458 177.536 -0.078 25104 11143 1 13 . 1 1 43 43 GLU CA C 43 58.580 58.580 57.888 0.692 25104 11144 1 13 . 1 1 43 43 GLU H H 43 8.049 8.049 7.926 0.123 25104 11145 1 13 . 1 1 44 44 LYS N N 44 118.526 118.526 116.743 1.783 25104 11146 1 13 . 1 1 44 44 LYS HA H 44 4.342 4.342 4.149 0.193 25104 11147 1 13 . 1 1 44 44 LYS C C 44 177.590 177.590 176.219 1.371 25104 11148 1 13 . 1 1 44 44 LYS CA C 44 54.405 54.405 54.850 -0.445 25104 11149 1 13 . 1 1 44 44 LYS CB C 44 30.488 30.488 31.445 -0.957 25104 11150 1 13 . 1 1 44 44 LYS H H 44 9.123 9.123 7.507 1.616 25104 11151 1 13 . 1 1 45 45 GLY N N 45 105.553 105.553 108.161 -2.608 25104 11152 1 13 . 1 1 45 45 GLY C C 45 173.518 173.518 174.276 -0.758 25104 11153 1 13 . 1 1 45 45 GLY CA C 45 44.612 44.612 45.804 -1.192 25104 11154 1 13 . 1 1 45 45 GLY H H 45 7.970 7.970 7.739 0.231 25104 11155 1 13 . 1 1 46 46 PHE N N 46 113.753 113.753 118.484 -4.731 25104 11156 1 13 . 1 1 46 46 PHE HA H 46 4.678 4.678 4.541 0.137 25104 11157 1 13 . 1 1 46 46 PHE C C 46 173.684 173.684 176.265 -2.581 25104 11158 1 13 . 1 1 46 46 PHE CA C 46 54.077 54.077 56.695 -2.618 25104 11159 1 13 . 1 1 46 46 PHE CB C 46 39.658 39.658 39.838 -0.180 25104 11160 1 13 . 1 1 46 46 PHE H H 46 6.469 6.469 7.701 -1.232 25104 11161 1 13 . 1 1 47 47 GLY N N 47 104.722 104.722 108.434 -3.712 25104 11162 1 13 . 1 1 47 47 GLY C C 47 172.446 172.446 175.026 -2.580 25104 11163 1 13 . 1 1 47 47 GLY CA C 47 45.601 45.601 45.513 0.088 25104 11164 1 13 . 1 1 47 47 GLY H H 47 7.756 7.756 8.235 -0.479 25104 11165 1 13 . 1 1 48 48 TYR N N 48 113.796 113.796 120.975 -7.179 25104 11166 1 13 . 1 1 48 48 TYR HA H 48 4.270 4.270 4.299 -0.029 25104 11167 1 13 . 1 1 48 48 TYR C C 48 178.924 178.924 176.079 2.845 25104 11168 1 13 . 1 1 48 48 TYR CA C 48 57.365 57.365 58.956 -1.591 25104 11169 1 13 . 1 1 48 48 TYR CB C 48 38.832 38.832 37.496 1.335 25104 11170 1 13 . 1 1 48 48 TYR H H 48 6.948 6.948 8.169 -1.221 25104 11171 1 13 . 1 1 49 49 LYS N N 49 124.858 124.858 124.779 0.079 25104 11172 1 13 . 1 1 49 49 LYS HA H 49 3.655 3.655 4.503 -0.848 25104 11173 1 13 . 1 1 49 49 LYS C C 49 178.388 178.388 176.869 1.519 25104 11174 1 13 . 1 1 49 49 LYS CA C 49 61.018 61.018 54.826 6.192 25104 11175 1 13 . 1 1 49 49 LYS CB C 49 31.484 31.484 34.410 -2.926 25104 11176 1 13 . 1 1 49 49 LYS H H 49 8.493 8.493 7.901 0.592 25104 11177 1 13 . 1 1 50 50 GLY N N 50 117.833 117.833 115.568 2.265 25104 11178 1 13 . 1 1 50 50 GLY C C 50 175.259 175.259 174.634 0.625 25104 11179 1 13 . 1 1 50 50 GLY CA C 50 45.495 45.495 45.740 -0.245 25104 11180 1 13 . 1 1 50 50 GLY H H 50 9.509 9.509 8.654 0.855 25104 11181 1 13 . 1 1 51 51 SER N N 51 116.413 116.413 114.273 2.140 25104 11182 1 13 . 1 1 51 51 SER HA H 51 4.516 4.516 4.379 0.137 25104 11183 1 13 . 1 1 51 51 SER C C 51 172.808 172.808 174.845 -2.037 25104 11184 1 13 . 1 1 51 51 SER CA C 51 59.043 59.043 58.557 0.486 25104 11185 1 13 . 1 1 51 51 SER CB C 51 63.781 63.781 63.885 -0.104 25104 11186 1 13 . 1 1 51 51 SER H H 51 8.436 8.436 7.919 0.517 25104 11187 1 13 . 1 1 52 52 CYS N N 52 115.156 115.156 127.326 -12.170 25104 11188 1 13 . 1 1 52 52 CYS HA H 52 5.932 5.932 4.791 1.141 25104 11189 1 13 . 1 1 52 52 CYS C C 52 177.437 177.437 174.394 3.043 25104 11190 1 13 . 1 1 52 52 CYS CA C 52 55.998 55.998 58.484 -2.486 25104 11191 1 13 . 1 1 52 52 CYS CB C 52 31.953 31.953 28.767 3.186 25104 11192 1 13 . 1 1 52 52 CYS H H 52 9.875 9.875 8.639 1.236 25104 11193 1 13 . 1 1 53 53 PHE N N 53 123.068 123.068 126.708 -3.640 25104 11194 1 13 . 1 1 53 53 PHE HA H 53 4.899 4.899 4.705 0.194 25104 11195 1 13 . 1 1 53 53 PHE C C 53 175.886 175.886 176.102 -0.216 25104 11196 1 13 . 1 1 53 53 PHE CA C 53 58.389 58.389 58.287 0.102 25104 11197 1 13 . 1 1 53 53 PHE CB C 53 39.535 39.535 38.578 0.957 25104 11198 1 13 . 1 1 53 53 PHE H H 53 8.732 8.732 9.134 -0.402 25104 11199 1 13 . 1 1 54 54 HIS N N 54 120.227 120.227 121.389 -1.162 25104 11200 1 13 . 1 1 54 54 HIS HA H 54 4.763 4.763 4.763 0.000 25104 11201 1 13 . 1 1 54 54 HIS C C 54 176.409 176.409 174.465 1.944 25104 11202 1 13 . 1 1 54 54 HIS CA C 54 57.323 57.323 56.191 1.132 25104 11203 1 13 . 1 1 54 54 HIS CB C 54 31.542 31.542 31.487 0.055 25104 11204 1 13 . 1 1 54 54 HIS H H 54 7.696 7.696 8.136 -0.440 25104 11205 1 13 . 1 1 55 55 ARG N N 55 123.202 123.202 120.341 2.861 25104 11206 1 13 . 1 1 55 55 ARG HA H 55 5.118 5.118 5.292 -0.174 25104 11207 1 13 . 1 1 55 55 ARG C C 55 174.511 174.511 173.706 0.805 25104 11208 1 13 . 1 1 55 55 ARG CA C 55 54.913 54.913 54.665 0.248 25104 11209 1 13 . 1 1 55 55 ARG CB C 55 33.805 33.805 31.783 2.022 25104 11210 1 13 . 1 1 55 55 ARG H H 55 7.089 7.089 7.094 -0.005 25104 11211 1 13 . 1 1 56 56 ILE N N 56 126.621 126.621 126.782 -0.161 25104 11212 1 13 . 1 1 56 56 ILE HA H 56 4.659 4.659 4.539 0.120 25104 11213 1 13 . 1 1 56 56 ILE C C 56 174.633 174.633 174.036 0.597 25104 11214 1 13 . 1 1 56 56 ILE CA C 56 61.585 61.585 60.568 1.017 25104 11215 1 13 . 1 1 56 56 ILE CB C 56 41.452 41.452 41.288 0.163 25104 11216 1 13 . 1 1 56 56 ILE H H 56 9.201 9.201 8.033 1.168 25104 11217 1 13 . 1 1 57 57 ILE N N 57 127.965 127.965 126.548 1.417 25104 11218 1 13 . 1 1 57 57 ILE HA H 57 5.248 5.248 5.186 0.062 25104 11219 1 13 . 1 1 57 57 ILE CA C 57 57.685 57.685 57.683 0.002 25104 11220 1 13 . 1 1 57 57 ILE CB C 57 40.236 40.236 40.859 -0.623 25104 11221 1 13 . 1 1 57 57 ILE H H 57 8.753 8.753 9.050 -0.297 25104 11222 1 13 . 1 1 58 58 PRO HA H 58 4.382 4.382 4.301 0.081 25104 11223 1 13 . 1 1 58 58 PRO C C 58 178.669 178.669 177.557 1.112 25104 11224 1 13 . 1 1 58 58 PRO CA C 58 63.086 63.086 64.198 -1.111 25104 11225 1 13 . 1 1 58 58 PRO CB C 58 31.996 31.996 31.820 0.176 25104 11226 1 13 . 1 1 59 59 GLY N N 59 114.176 114.176 110.611 3.565 25104 11227 1 13 . 1 1 59 59 GLY C C 59 173.281 173.281 173.787 -0.506 25104 11228 1 13 . 1 1 59 59 GLY CA C 59 45.259 45.259 46.246 -0.987 25104 11229 1 13 . 1 1 59 59 GLY H H 59 9.752 9.752 8.594 1.158 25104 11230 1 13 . 1 1 60 60 PHE N N 60 119.241 119.241 117.924 1.317 25104 11231 1 13 . 1 1 60 60 PHE HA H 60 5.153 5.153 5.023 0.130 25104 11232 1 13 . 1 1 60 60 PHE C C 60 174.401 174.401 173.157 1.244 25104 11233 1 13 . 1 1 60 60 PHE CA C 60 56.867 56.867 57.699 -0.832 25104 11234 1 13 . 1 1 60 60 PHE CB C 60 39.954 39.954 41.892 -1.938 25104 11235 1 13 . 1 1 60 60 PHE H H 60 8.196 8.196 7.560 0.636 25104 11236 1 13 . 1 1 61 61 MET N N 61 111.262 111.262 117.808 -6.546 25104 11237 1 13 . 1 1 61 61 MET HA H 61 5.369 5.369 5.007 0.362 25104 11238 1 13 . 1 1 61 61 MET C C 61 175.163 175.163 173.156 2.007 25104 11239 1 13 . 1 1 61 61 MET CA C 61 55.062 55.062 54.751 0.311 25104 11240 1 13 . 1 1 61 61 MET CB C 61 35.010 35.010 35.970 -0.960 25104 11241 1 13 . 1 1 61 61 MET H H 61 8.128 8.128 8.511 -0.383 25104 11242 1 13 . 1 1 62 62 CYS N N 62 114.848 114.848 122.267 -7.419 25104 11243 1 13 . 1 1 62 62 CYS HA H 62 4.941 4.941 4.996 -0.055 25104 11244 1 13 . 1 1 62 62 CYS C C 62 174.075 174.075 173.622 0.453 25104 11245 1 13 . 1 1 62 62 CYS CA C 62 57.485 57.485 56.540 0.945 25104 11246 1 13 . 1 1 62 62 CYS CB C 62 30.392 30.392 29.183 1.209 25104 11247 1 13 . 1 1 62 62 CYS H H 62 8.501 8.501 8.993 -0.492 25104 11248 1 13 . 1 1 63 63 GLN N N 63 126.854 126.854 126.721 0.133 25104 11249 1 13 . 1 1 63 63 GLN HA H 63 5.410 5.410 4.876 0.534 25104 11250 1 13 . 1 1 63 63 GLN C C 63 175.024 175.024 174.822 0.202 25104 11251 1 13 . 1 1 63 63 GLN CA C 63 54.691 54.691 54.326 0.365 25104 11252 1 13 . 1 1 63 63 GLN CB C 63 30.529 30.529 31.229 -0.700 25104 11253 1 13 . 1 1 63 63 GLN H H 63 9.671 9.671 8.865 0.806 25104 11254 1 13 . 1 1 64 64 GLY N N 64 110.745 110.745 111.089 -0.344 25104 11255 1 13 . 1 1 64 64 GLY C C 64 174.113 174.113 172.690 1.423 25104 11256 1 13 . 1 1 64 64 GLY CA C 64 44.788 44.788 42.703 2.085 25104 11257 1 13 . 1 1 64 64 GLY H H 64 7.401 7.401 7.764 -0.363 25104 11258 1 13 . 1 1 65 65 GLY N N 65 105.815 105.815 105.765 0.050 25104 11259 1 13 . 1 1 65 65 GLY C C 65 176.175 176.175 173.721 2.454 25104 11260 1 13 . 1 1 65 65 GLY CA C 65 46.659 46.659 45.220 1.439 25104 11261 1 13 . 1 1 65 65 GLY H H 65 9.265 9.265 7.401 1.864 25104 11262 1 13 . 1 1 66 66 ASP N N 66 123.911 123.911 121.043 2.868 25104 11263 1 13 . 1 1 66 66 ASP HA H 66 4.337 4.337 4.419 -0.082 25104 11264 1 13 . 1 1 66 66 ASP C C 66 177.105 177.105 176.748 0.357 25104 11265 1 13 . 1 1 66 66 ASP CA C 66 51.592 51.592 55.033 -3.441 25104 11266 1 13 . 1 1 66 66 ASP CB C 66 38.926 38.926 42.230 -3.304 25104 11267 1 13 . 1 1 66 66 ASP H H 66 9.950 9.950 8.045 1.905 25104 11268 1 13 . 1 1 67 67 PHE N N 67 116.285 116.285 119.639 -3.354 25104 11269 1 13 . 1 1 67 67 PHE HA H 67 4.655 4.655 4.350 0.305 25104 11270 1 13 . 1 1 67 67 PHE C C 67 175.240 175.240 175.774 -0.534 25104 11271 1 13 . 1 1 67 67 PHE CA C 67 55.683 55.683 61.174 -5.491 25104 11272 1 13 . 1 1 67 67 PHE CB C 67 39.480 39.480 39.252 0.228 25104 11273 1 13 . 1 1 67 67 PHE H H 67 6.660 6.660 8.258 -1.598 25104 11274 1 13 . 1 1 68 68 THR N N 68 109.280 109.280 117.385 -8.105 25104 11275 1 13 . 1 1 68 68 THR HA H 68 4.692 4.692 4.049 0.643 25104 11276 1 13 . 1 1 68 68 THR C C 68 176.514 176.514 173.724 2.790 25104 11277 1 13 . 1 1 68 68 THR CA C 68 61.962 61.962 64.457 -2.495 25104 11278 1 13 . 1 1 68 68 THR CB C 68 68.922 68.922 68.748 0.174 25104 11279 1 13 . 1 1 68 68 THR H H 68 7.400 7.400 8.283 -0.883 25104 11280 1 13 . 1 1 69 69 ARG N N 69 122.125 122.125 120.986 1.139 25104 11281 1 13 . 1 1 69 69 ARG HA H 69 4.421 4.421 3.719 0.702 25104 11282 1 13 . 1 1 69 69 ARG CA C 69 55.265 55.265 56.922 -1.657 25104 11283 1 13 . 1 1 69 69 ARG CB C 69 31.727 31.727 27.654 4.073 25104 11284 1 13 . 1 1 69 69 ARG H H 69 8.719 8.719 8.668 0.051 25104 11285 1 13 . 1 1 70 70 HIS N N 70 111.574 111.574 118.372 -6.798 25104 11286 1 13 . 1 1 70 70 HIS HA H 70 4.451 4.451 4.746 -0.295 25104 11287 1 13 . 1 1 70 70 HIS C C 70 175.306 175.306 174.683 0.623 25104 11288 1 13 . 1 1 70 70 HIS CA C 70 57.193 57.193 54.934 2.259 25104 11289 1 13 . 1 1 70 70 HIS CB C 70 28.587 28.587 27.634 0.953 25104 11290 1 13 . 1 1 70 70 HIS H H 70 6.865 6.865 8.098 -1.233 25104 11291 1 13 . 1 1 71 71 ASN N N 71 112.710 112.710 119.876 -7.166 25104 11292 1 13 . 1 1 71 71 ASN HA H 71 4.673 4.673 4.783 -0.110 25104 11293 1 13 . 1 1 71 71 ASN C C 71 176.752 176.752 175.332 1.420 25104 11294 1 13 . 1 1 71 71 ASN CA C 71 52.366 52.366 52.590 -0.223 25104 11295 1 13 . 1 1 71 71 ASN CB C 71 39.036 39.036 39.071 -0.035 25104 11296 1 13 . 1 1 71 71 ASN H H 71 7.594 7.594 7.916 -0.322 25104 11297 1 13 . 1 1 72 72 GLY N N 72 110.452 110.452 107.918 2.534 25104 11298 1 13 . 1 1 72 72 GLY C C 72 176.669 176.669 175.130 1.539 25104 11299 1 13 . 1 1 72 72 GLY CA C 72 44.887 44.887 45.741 -0.854 25104 11300 1 13 . 1 1 72 72 GLY H H 72 9.642 9.642 8.237 1.405 25104 11301 1 13 . 1 1 73 73 THR N N 73 112.024 112.024 118.437 -6.413 25104 11302 1 13 . 1 1 73 73 THR HA H 73 4.541 4.541 4.223 0.318 25104 11303 1 13 . 1 1 73 73 THR C C 73 176.905 176.905 175.236 1.669 25104 11304 1 13 . 1 1 73 73 THR CA C 73 62.235 62.235 65.167 -2.932 25104 11305 1 13 . 1 1 73 73 THR CB C 73 70.677 70.677 69.606 1.071 25104 11306 1 13 . 1 1 73 73 THR H H 73 7.967 7.967 7.682 0.285 25104 11307 1 13 . 1 1 74 74 GLY N N 74 113.872 113.872 109.817 4.055 25104 11308 1 13 . 1 1 74 74 GLY C C 74 176.149 176.149 174.084 2.065 25104 11309 1 13 . 1 1 74 74 GLY CA C 74 45.126 45.126 46.125 -0.999 25104 11310 1 13 . 1 1 74 74 GLY H H 74 8.711 8.711 8.246 0.465 25104 11311 1 13 . 1 1 75 75 GLY N N 75 109.032 109.032 104.981 4.051 25104 11312 1 13 . 1 1 75 75 GLY C C 75 173.012 173.012 173.925 -0.913 25104 11313 1 13 . 1 1 75 75 GLY CA C 75 43.371 43.371 44.700 -1.329 25104 11314 1 13 . 1 1 75 75 GLY H H 75 8.117 8.117 7.758 0.359 25104 11315 1 13 . 1 1 76 76 LYS N N 76 115.705 115.705 120.236 -4.531 25104 11316 1 13 . 1 1 76 76 LYS HA H 76 4.623 4.623 4.819 -0.196 25104 11317 1 13 . 1 1 76 76 LYS C C 76 173.512 173.512 176.529 -3.017 25104 11318 1 13 . 1 1 76 76 LYS CA C 76 55.975 55.975 55.865 0.109 25104 11319 1 13 . 1 1 76 76 LYS CB C 76 34.648 34.648 33.083 1.565 25104 11320 1 13 . 1 1 76 76 LYS H H 76 7.034 7.034 7.769 -0.735 25104 11321 1 13 . 1 1 77 77 SER N N 77 114.354 114.354 115.392 -1.038 25104 11322 1 13 . 1 1 77 77 SER HA H 77 5.240 5.240 4.802 0.438 25104 11323 1 13 . 1 1 77 77 SER C C 77 176.746 176.746 176.240 0.506 25104 11324 1 13 . 1 1 77 77 SER CA C 77 57.077 57.077 57.084 -0.007 25104 11325 1 13 . 1 1 77 77 SER CB C 77 69.863 69.863 65.405 4.458 25104 11326 1 13 . 1 1 77 77 SER H H 77 7.793 7.793 8.183 -0.390 25104 11327 1 13 . 1 1 78 78 ILE N N 78 111.394 111.394 115.924 -4.530 25104 11328 1 13 . 1 1 78 78 ILE HA H 78 4.208 4.208 4.102 0.106 25104 11329 1 13 . 1 1 78 78 ILE C C 78 176.973 176.973 175.486 1.487 25104 11330 1 13 . 1 1 78 78 ILE CA C 78 63.675 63.675 63.485 0.190 25104 11331 1 13 . 1 1 78 78 ILE CB C 78 37.434 37.434 37.773 -0.339 25104 11332 1 13 . 1 1 78 78 ILE H H 78 8.584 8.584 8.481 0.103 25104 11333 1 13 . 1 1 79 79 TYR N N 79 120.757 120.757 117.779 2.978 25104 11334 1 13 . 1 1 79 79 TYR HA H 79 4.718 4.718 4.502 0.216 25104 11335 1 13 . 1 1 79 79 TYR C C 79 176.316 176.316 176.067 0.249 25104 11336 1 13 . 1 1 79 79 TYR CA C 79 56.216 56.216 58.409 -2.193 25104 11337 1 13 . 1 1 79 79 TYR CB C 79 38.891 38.891 39.173 -0.282 25104 11338 1 13 . 1 1 79 79 TYR H H 79 8.058 8.058 7.550 0.508 25104 11339 1 13 . 1 1 80 80 GLY N N 80 106.521 106.521 106.481 0.040 25104 11340 1 13 . 1 1 80 80 GLY CA C 80 46.021 46.021 45.271 0.750 25104 11341 1 13 . 1 1 80 80 GLY H H 80 7.152 7.152 7.285 -0.133 25104 11342 1 13 . 1 1 81 81 GLU N N 81 122.638 122.638 121.355 1.283 25104 11343 1 13 . 1 1 81 81 GLU HA H 81 4.008 4.008 4.048 -0.040 25104 11344 1 13 . 1 1 81 81 GLU C C 81 176.729 176.729 175.832 0.897 25104 11345 1 13 . 1 1 81 81 GLU CA C 81 60.602 60.602 59.243 1.359 25104 11346 1 13 . 1 1 81 81 GLU CB C 81 29.927 29.927 29.686 0.241 25104 11347 1 13 . 1 1 81 81 GLU H H 81 8.884 8.884 8.632 0.252 25104 11348 1 13 . 1 1 82 82 LYS N N 82 112.369 112.369 112.105 0.264 25104 11349 1 13 . 1 1 82 82 LYS HA H 82 5.577 5.577 4.592 0.985 25104 11350 1 13 . 1 1 82 82 LYS C C 82 176.495 176.495 174.644 1.851 25104 11351 1 13 . 1 1 82 82 LYS CA C 82 53.906 53.906 55.484 -1.578 25104 11352 1 13 . 1 1 82 82 LYS CB C 82 36.614 36.614 35.199 1.415 25104 11353 1 13 . 1 1 82 82 LYS H H 82 7.845 7.845 7.482 0.363 25104 11354 1 13 . 1 1 83 83 PHE N N 83 116.638 116.638 114.086 2.552 25104 11355 1 13 . 1 1 83 83 PHE HA H 83 5.000 5.000 5.085 -0.084 25104 11356 1 13 . 1 1 83 83 PHE C C 83 174.501 174.501 172.902 1.599 25104 11357 1 13 . 1 1 83 83 PHE CA C 83 56.032 56.032 56.441 -0.409 25104 11358 1 13 . 1 1 83 83 PHE CB C 83 41.258 41.258 41.787 -0.529 25104 11359 1 13 . 1 1 83 83 PHE H H 83 9.184 9.184 8.973 0.211 25104 11360 1 13 . 1 1 84 84 GLU N N 84 119.642 119.642 118.521 1.121 25104 11361 1 13 . 1 1 84 84 GLU HA H 84 3.862 3.862 4.302 -0.440 25104 11362 1 13 . 1 1 84 84 GLU C C 84 177.248 177.248 175.183 2.065 25104 11363 1 13 . 1 1 84 84 GLU CA C 84 56.452 56.452 54.855 1.597 25104 11364 1 13 . 1 1 84 84 GLU CB C 84 29.329 29.329 30.983 -1.654 25104 11365 1 13 . 1 1 84 84 GLU H H 84 9.294 9.294 8.369 0.925 25104 11366 1 13 . 1 1 85 85 ASP N N 85 118.870 118.870 121.723 -2.853 25104 11367 1 13 . 1 1 85 85 ASP HA H 85 4.285 4.285 4.565 -0.280 25104 11368 1 13 . 1 1 85 85 ASP C C 85 177.100 177.100 176.448 0.652 25104 11369 1 13 . 1 1 85 85 ASP CA C 85 54.486 54.486 54.783 -0.297 25104 11370 1 13 . 1 1 85 85 ASP CB C 85 40.954 40.954 41.107 -0.153 25104 11371 1 13 . 1 1 85 85 ASP H H 85 8.609 8.609 8.313 0.296 25104 11372 1 13 . 1 1 86 86 GLU N N 86 131.636 131.636 126.607 5.029 25104 11373 1 13 . 1 1 86 86 GLU HA H 86 3.851 3.851 4.088 -0.237 25104 11374 1 13 . 1 1 86 86 GLU C C 86 177.266 177.266 175.578 1.688 25104 11375 1 13 . 1 1 86 86 GLU CA C 86 60.354 60.354 58.910 1.444 25104 11376 1 13 . 1 1 86 86 GLU CB C 86 31.877 31.877 30.649 1.228 25104 11377 1 13 . 1 1 86 86 GLU H H 86 9.474 9.474 8.909 0.565 25104 11378 1 13 . 1 1 87 87 ASN N N 87 106.916 106.916 111.933 -5.017 25104 11379 1 13 . 1 1 87 87 ASN HA H 87 4.187 4.187 4.528 -0.341 25104 11380 1 13 . 1 1 87 87 ASN C C 87 171.751 171.751 173.405 -1.654 25104 11381 1 13 . 1 1 87 87 ASN CA C 87 52.828 52.828 52.232 0.596 25104 11382 1 13 . 1 1 87 87 ASN CB C 87 39.490 39.490 39.098 0.392 25104 11383 1 13 . 1 1 87 87 ASN H H 87 7.084 7.084 7.586 -0.502 25104 11384 1 13 . 1 1 88 88 PHE N N 88 113.116 113.116 116.586 -3.470 25104 11385 1 13 . 1 1 88 88 PHE HA H 88 5.964 5.964 4.844 1.120 25104 11386 1 13 . 1 1 88 88 PHE C C 88 178.688 178.688 175.986 2.702 25104 11387 1 13 . 1 1 88 88 PHE CA C 88 55.847 55.847 56.660 -0.813 25104 11388 1 13 . 1 1 88 88 PHE CB C 88 38.876 38.876 38.105 0.771 25104 11389 1 13 . 1 1 88 88 PHE H H 88 8.356 8.356 8.564 -0.208 25104 11390 1 13 . 1 1 89 89 ILE N N 89 119.794 119.794 119.516 0.278 25104 11391 1 13 . 1 1 89 89 ILE HA H 89 3.726 3.726 3.907 -0.181 25104 11392 1 13 . 1 1 89 89 ILE C C 89 178.596 178.596 176.409 2.187 25104 11393 1 13 . 1 1 89 89 ILE CA C 89 64.996 64.996 63.833 1.163 25104 11394 1 13 . 1 1 89 89 ILE CB C 89 39.000 39.000 38.234 0.766 25104 11395 1 13 . 1 1 89 89 ILE H H 89 8.314 8.314 7.484 0.830 25104 11396 1 13 . 1 1 90 90 LEU N N 90 117.361 117.361 119.103 -1.742 25104 11397 1 13 . 1 1 90 90 LEU HA H 90 4.516 4.516 4.185 0.331 25104 11398 1 13 . 1 1 90 90 LEU C C 90 177.345 177.345 176.005 1.340 25104 11399 1 13 . 1 1 90 90 LEU CA C 90 54.196 54.196 54.511 -0.315 25104 11400 1 13 . 1 1 90 90 LEU CB C 90 42.100 42.100 41.928 0.171 25104 11401 1 13 . 1 1 90 90 LEU H H 90 7.777 7.777 8.093 -0.316 25104 11402 1 13 . 1 1 91 91 LYS N N 91 119.096 119.096 120.672 -1.576 25104 11403 1 13 . 1 1 91 91 LYS HA H 91 4.635 4.635 4.629 0.006 25104 11404 1 13 . 1 1 91 91 LYS C C 91 177.296 177.296 176.222 1.074 25104 11405 1 13 . 1 1 91 91 LYS CA C 91 54.689 54.689 54.938 -0.249 25104 11406 1 13 . 1 1 91 91 LYS CB C 91 34.841 34.841 35.762 -0.921 25104 11407 1 13 . 1 1 91 91 LYS H H 91 8.086 8.086 8.309 -0.223 25104 11408 1 13 . 1 1 92 92 HIS N N 92 122.578 122.578 121.975 0.603 25104 11409 1 13 . 1 1 92 92 HIS HA H 92 4.408 4.408 4.691 -0.283 25104 11410 1 13 . 1 1 92 92 HIS C C 92 178.794 178.794 175.156 3.638 25104 11411 1 13 . 1 1 92 92 HIS CA C 92 56.886 56.886 55.732 1.154 25104 11412 1 13 . 1 1 92 92 HIS CB C 92 26.041 26.041 28.023 -1.982 25104 11413 1 13 . 1 1 92 92 HIS H H 92 10.736 10.736 9.017 1.719 25104 11414 1 13 . 1 1 93 93 THR N N 93 110.479 110.479 112.394 -1.915 25104 11415 1 13 . 1 1 93 93 THR HA H 93 4.056 4.056 4.255 -0.199 25104 11416 1 13 . 1 1 93 93 THR C C 93 176.456 176.456 174.635 1.821 25104 11417 1 13 . 1 1 93 93 THR CA C 93 63.324 63.324 63.744 -0.420 25104 11418 1 13 . 1 1 93 93 THR CB C 93 69.416 69.416 69.513 -0.097 25104 11419 1 13 . 1 1 93 93 THR H H 93 7.315 7.315 7.652 -0.337 25104 11420 1 13 . 1 1 94 94 GLY N N 94 107.272 107.272 108.112 -0.840 25104 11421 1 13 . 1 1 94 94 GLY C C 94 178.117 178.117 171.859 6.258 25104 11422 1 13 . 1 1 94 94 GLY H H 94 7.530 7.530 7.878 -0.348 25104 11423 1 13 . 1 1 95 95 PRO HA H 95 3.856 3.856 4.382 -0.526 25104 11424 1 13 . 1 1 95 95 PRO CA C 95 62.687 62.687 62.503 0.184 25104 11425 1 13 . 1 1 95 95 PRO CB C 95 32.137 32.137 32.977 -0.840 25104 11426 1 13 . 1 1 96 96 GLY N N 96 110.210 110.210 109.543 0.667 25104 11427 1 13 . 1 1 96 96 GLY C C 96 174.025 174.025 175.071 -1.046 25104 11428 1 13 . 1 1 96 96 GLY CA C 96 45.068 45.068 45.301 -0.233 25104 11429 1 13 . 1 1 96 96 GLY H H 96 9.305 9.305 8.559 0.746 25104 11430 1 13 . 1 1 97 97 ILE N N 97 121.517 121.517 122.383 -0.866 25104 11431 1 13 . 1 1 97 97 ILE HA H 97 4.173 4.173 3.983 0.190 25104 11432 1 13 . 1 1 97 97 ILE C C 97 174.196 174.196 175.165 -0.969 25104 11433 1 13 . 1 1 97 97 ILE CA C 97 59.398 59.398 60.605 -1.208 25104 11434 1 13 . 1 1 97 97 ILE CB C 97 37.922 37.922 35.366 2.556 25104 11435 1 13 . 1 1 97 97 ILE H H 97 6.826 6.826 7.771 -0.945 25104 11436 1 13 . 1 1 98 98 LEU N N 98 128.948 128.948 131.460 -2.512 25104 11437 1 13 . 1 1 98 98 LEU HA H 98 5.010 5.010 4.553 0.457 25104 11438 1 13 . 1 1 98 98 LEU C C 98 175.316 175.316 174.617 0.699 25104 11439 1 13 . 1 1 98 98 LEU CA C 98 53.350 53.350 53.601 -0.251 25104 11440 1 13 . 1 1 98 98 LEU CB C 98 43.813 43.813 41.910 1.903 25104 11441 1 13 . 1 1 98 98 LEU H H 98 7.907 7.907 7.919 -0.012 25104 11442 1 13 . 1 1 99 99 SER N N 99 118.834 118.834 121.084 -2.250 25104 11443 1 13 . 1 1 99 99 SER HA H 99 5.346 5.346 4.520 0.826 25104 11444 1 13 . 1 1 99 99 SER C C 99 175.732 175.732 172.582 3.150 25104 11445 1 13 . 1 1 99 99 SER CA C 99 55.011 55.011 56.206 -1.195 25104 11446 1 13 . 1 1 99 99 SER CB C 99 65.370 65.370 65.120 0.251 25104 11447 1 13 . 1 1 99 99 SER H H 99 8.307 8.307 8.263 0.044 25104 11448 1 13 . 1 1 100 100 MET N N 100 123.079 123.079 127.235 -4.156 25104 11449 1 13 . 1 1 100 100 MET HA H 100 5.338 5.338 4.646 0.692 25104 11450 1 13 . 1 1 100 100 MET C C 100 178.920 178.920 174.464 4.456 25104 11451 1 13 . 1 1 100 100 MET CA C 100 53.853 53.853 55.770 -1.917 25104 11452 1 13 . 1 1 100 100 MET H H 100 8.563 8.563 8.984 -0.421 25104 11453 1 13 . 1 1 101 101 ALA N N 101 126.225 126.225 128.033 -1.808 25104 11454 1 13 . 1 1 101 101 ALA HA H 101 4.362 4.362 4.855 -0.493 25104 11455 1 13 . 1 1 101 101 ALA C C 101 176.471 176.471 175.728 0.743 25104 11456 1 13 . 1 1 101 101 ALA CA C 101 51.743 51.743 52.562 -0.819 25104 11457 1 13 . 1 1 101 101 ALA CB C 101 19.619 19.619 20.087 -0.468 25104 11458 1 13 . 1 1 101 101 ALA H H 101 8.114 8.114 8.540 -0.426 25104 11459 1 13 . 1 1 102 102 ASN N N 102 113.398 113.398 115.638 -2.240 25104 11460 1 13 . 1 1 102 102 ASN HA H 102 4.647 4.647 4.934 -0.287 25104 11461 1 13 . 1 1 102 102 ASN C C 102 174.740 174.740 173.832 0.908 25104 11462 1 13 . 1 1 102 102 ASN CA C 102 54.102 54.102 52.246 1.855 25104 11463 1 13 . 1 1 102 102 ASN CB C 102 40.597 40.597 40.711 -0.114 25104 11464 1 13 . 1 1 102 102 ASN H H 102 8.062 8.062 8.258 -0.196 25104 11465 1 13 . 1 1 103 103 ALA N N 103 123.487 123.487 119.845 3.642 25104 11466 1 13 . 1 1 103 103 ALA HA H 103 4.868 4.868 4.521 0.347 25104 11467 1 13 . 1 1 103 103 ALA C C 103 177.823 177.823 176.864 0.959 25104 11468 1 13 . 1 1 103 103 ALA CA C 103 50.380 50.380 52.309 -1.929 25104 11469 1 13 . 1 1 103 103 ALA CB C 103 19.295 19.295 20.044 -0.749 25104 11470 1 13 . 1 1 103 103 ALA H H 103 8.822 8.822 8.403 0.419 25104 11471 1 13 . 1 1 104 104 GLY N N 104 109.271 109.271 106.021 3.250 25104 11472 1 13 . 1 1 104 104 GLY CA C 104 43.559 43.559 45.026 -1.467 25104 11473 1 13 . 1 1 104 104 GLY H H 104 8.181 8.181 7.719 0.462 25104 11474 1 13 . 1 1 105 105 PRO HA H 105 4.385 4.385 4.651 -0.266 25104 11475 1 13 . 1 1 105 105 PRO C C 105 177.209 177.209 177.295 -0.086 25104 11476 1 13 . 1 1 105 105 PRO CA C 105 63.976 63.976 62.943 1.033 25104 11477 1 13 . 1 1 105 105 PRO CB C 105 32.136 32.136 32.129 0.007 25104 11478 1 13 . 1 1 106 106 ASN N N 106 119.146 119.146 118.393 0.753 25104 11479 1 13 . 1 1 106 106 ASN HA H 106 4.052 4.052 4.626 -0.574 25104 11480 1 13 . 1 1 106 106 ASN C C 106 175.857 175.857 174.484 1.373 25104 11481 1 13 . 1 1 106 106 ASN CA C 106 54.279 54.279 54.720 -0.441 25104 11482 1 13 . 1 1 106 106 ASN CB C 106 37.248 37.248 37.685 -0.437 25104 11483 1 13 . 1 1 106 106 ASN H H 106 8.912 8.912 8.876 0.036 25104 11484 1 13 . 1 1 107 107 THR N N 107 110.101 110.101 110.485 -0.384 25104 11485 1 13 . 1 1 107 107 THR HA H 107 4.493 4.493 4.311 0.182 25104 11486 1 13 . 1 1 107 107 THR C C 107 174.713 174.713 173.146 1.567 25104 11487 1 13 . 1 1 107 107 THR CA C 107 60.294 60.294 61.924 -1.630 25104 11488 1 13 . 1 1 107 107 THR CB C 107 69.030 69.030 69.631 -0.601 25104 11489 1 13 . 1 1 107 107 THR H H 107 10.191 10.191 7.614 2.577 25104 11490 1 13 . 1 1 108 108 ASN N N 108 120.592 120.592 119.958 0.634 25104 11491 1 13 . 1 1 108 108 ASN HA H 108 4.210 4.210 4.744 -0.534 25104 11492 1 13 . 1 1 108 108 ASN C C 108 175.078 175.078 174.899 0.179 25104 11493 1 13 . 1 1 108 108 ASN CA C 108 55.287 55.287 52.576 2.711 25104 11494 1 13 . 1 1 108 108 ASN CB C 108 39.036 39.036 39.465 -0.429 25104 11495 1 13 . 1 1 108 108 ASN H H 108 7.410 7.410 7.297 0.113 25104 11496 1 13 . 1 1 109 109 GLY N N 109 110.835 110.835 112.805 -1.970 25104 11497 1 13 . 1 1 109 109 GLY C C 109 172.087 172.087 173.086 -0.999 25104 11498 1 13 . 1 1 109 109 GLY CA C 109 45.940 45.940 45.298 0.642 25104 11499 1 13 . 1 1 109 109 GLY H H 109 9.192 9.192 8.270 0.922 25104 11500 1 13 . 1 1 110 110 SER N N 110 117.149 117.149 116.345 0.804 25104 11501 1 13 . 1 1 110 110 SER HA H 110 4.751 4.751 5.129 -0.378 25104 11502 1 13 . 1 1 110 110 SER C C 110 177.075 177.075 174.094 2.981 25104 11503 1 13 . 1 1 110 110 SER CA C 110 57.526 57.526 57.185 0.341 25104 11504 1 13 . 1 1 110 110 SER CB C 110 66.180 66.180 66.034 0.146 25104 11505 1 13 . 1 1 110 110 SER H H 110 8.793 8.793 7.519 1.274 25104 11506 1 13 . 1 1 111 111 GLN N N 111 124.594 124.594 118.704 5.890 25104 11507 1 13 . 1 1 111 111 GLN HA H 111 4.225 4.225 4.152 0.073 25104 11508 1 13 . 1 1 111 111 GLN C C 111 179.174 179.174 174.900 4.274 25104 11509 1 13 . 1 1 111 111 GLN CA C 111 58.144 58.144 57.230 0.914 25104 11510 1 13 . 1 1 111 111 GLN CB C 111 31.558 31.558 28.436 3.122 25104 11511 1 13 . 1 1 111 111 GLN H H 111 8.438 8.438 8.272 0.166 25104 11512 1 13 . 1 1 112 112 PHE N N 112 118.008 118.008 114.443 3.565 25104 11513 1 13 . 1 1 112 112 PHE HA H 112 5.806 5.806 5.203 0.603 25104 11514 1 13 . 1 1 112 112 PHE C C 112 172.840 172.840 173.481 -0.641 25104 11515 1 13 . 1 1 112 112 PHE CA C 112 55.584 55.584 56.093 -0.509 25104 11516 1 13 . 1 1 112 112 PHE CB C 112 43.323 43.323 42.810 0.513 25104 11517 1 13 . 1 1 112 112 PHE H H 112 8.120 8.120 8.031 0.089 25104 11518 1 13 . 1 1 113 113 PHE N N 113 116.406 116.406 114.406 2.000 25104 11519 1 13 . 1 1 113 113 PHE HA H 113 5.739 5.739 5.260 0.479 25104 11520 1 13 . 1 1 113 113 PHE C C 113 175.349 175.349 173.263 2.086 25104 11521 1 13 . 1 1 113 113 PHE CA C 113 54.684 54.684 56.063 -1.379 25104 11522 1 13 . 1 1 113 113 PHE CB C 113 42.825 42.825 42.556 0.269 25104 11523 1 13 . 1 1 113 113 PHE H H 113 9.832 9.832 8.661 1.171 25104 11524 1 13 . 1 1 114 114 ILE N N 114 118.683 118.683 120.825 -2.142 25104 11525 1 13 . 1 1 114 114 ILE HA H 114 4.842 4.842 4.783 0.059 25104 11526 1 13 . 1 1 114 114 ILE C C 114 178.414 178.414 175.934 2.480 25104 11527 1 13 . 1 1 114 114 ILE CA C 114 60.265 60.265 59.771 0.494 25104 11528 1 13 . 1 1 114 114 ILE CB C 114 40.466 40.466 39.566 0.900 25104 11529 1 13 . 1 1 114 114 ILE H H 114 9.156 9.156 8.699 0.457 25104 11530 1 13 . 1 1 115 115 CYS N N 115 125.524 125.524 127.856 -2.332 25104 11531 1 13 . 1 1 115 115 CYS HA H 115 4.808 4.808 4.593 0.215 25104 11532 1 13 . 1 1 115 115 CYS C C 115 177.658 177.658 176.378 1.280 25104 11533 1 13 . 1 1 115 115 CYS CA C 115 60.803 60.803 59.069 1.734 25104 11534 1 13 . 1 1 115 115 CYS CB C 115 28.723 28.723 25.823 2.900 25104 11535 1 13 . 1 1 115 115 CYS H H 115 9.616 9.616 8.886 0.730 25104 11536 1 13 . 1 1 116 116 THR N N 116 115.801 115.801 117.658 -1.857 25104 11537 1 13 . 1 1 116 116 THR HA H 116 4.380 4.380 4.139 0.241 25104 11538 1 13 . 1 1 116 116 THR C C 116 178.496 178.496 174.620 3.876 25104 11539 1 13 . 1 1 116 116 THR CA C 116 60.844 60.844 63.569 -2.724 25104 11540 1 13 . 1 1 116 116 THR CB C 116 66.730 66.730 69.138 -2.408 25104 11541 1 13 . 1 1 116 116 THR H H 116 8.990 8.990 8.506 0.484 25104 11542 1 13 . 1 1 117 117 ALA N N 117 122.356 122.356 124.855 -2.499 25104 11543 1 13 . 1 1 117 117 ALA HA H 117 4.420 4.420 4.667 -0.247 25104 11544 1 13 . 1 1 117 117 ALA C C 117 176.114 176.114 175.937 0.177 25104 11545 1 13 . 1 1 117 117 ALA CA C 117 50.668 50.668 50.486 0.182 25104 11546 1 13 . 1 1 117 117 ALA CB C 117 22.795 22.795 21.579 1.216 25104 11547 1 13 . 1 1 117 117 ALA H H 117 7.641 7.641 7.474 0.167 25104 11548 1 13 . 1 1 118 118 LYS N N 118 119.855 119.855 119.716 0.139 25104 11549 1 13 . 1 1 118 118 LYS HA H 118 3.840 3.840 4.273 -0.433 25104 11550 1 13 . 1 1 118 118 LYS C C 118 177.211 177.211 176.800 0.411 25104 11551 1 13 . 1 1 118 118 LYS CA C 118 57.913 57.913 56.311 1.602 25104 11552 1 13 . 1 1 118 118 LYS CB C 118 32.708 32.708 30.134 2.574 25104 11553 1 13 . 1 1 118 118 LYS H H 118 8.693 8.693 8.269 0.424 25104 11554 1 13 . 1 1 119 119 THR N N 119 119.004 119.004 116.919 2.085 25104 11555 1 13 . 1 1 119 119 THR HA H 119 3.730 3.730 3.541 0.189 25104 11556 1 13 . 1 1 119 119 THR C C 119 177.928 177.928 174.602 3.326 25104 11557 1 13 . 1 1 119 119 THR CA C 119 57.301 57.301 60.023 -2.722 25104 11558 1 13 . 1 1 119 119 THR CB C 119 68.717 68.717 68.005 0.712 25104 11559 1 13 . 1 1 119 119 THR H H 119 7.373 7.373 8.191 -0.818 25104 11560 1 13 . 1 1 120 120 GLU N N 120 124.713 124.713 123.803 0.910 25104 11561 1 13 . 1 1 120 120 GLU HA H 120 4.162 4.162 4.173 -0.011 25104 11562 1 13 . 1 1 120 120 GLU C C 120 178.190 178.190 177.592 0.598 25104 11563 1 13 . 1 1 120 120 GLU CA C 120 59.334 59.334 58.170 1.164 25104 11564 1 13 . 1 1 120 120 GLU CB C 120 29.322 29.322 29.314 0.008 25104 11565 1 13 . 1 1 120 120 GLU H H 120 9.139 9.139 7.584 1.555 25104 11566 1 13 . 1 1 121 121 TRP N N 121 117.782 117.782 117.733 0.049 25104 11567 1 13 . 1 1 121 121 TRP HA H 121 4.716 4.716 4.569 0.147 25104 11568 1 13 . 1 1 121 121 TRP C C 121 177.244 177.244 176.321 0.923 25104 11569 1 13 . 1 1 121 121 TRP CA C 121 59.748 59.748 57.370 2.378 25104 11570 1 13 . 1 1 121 121 TRP CB C 121 26.947 26.947 28.335 -1.388 25104 11571 1 13 . 1 1 121 121 TRP H H 121 7.297 7.297 7.454 -0.157 25104 11572 1 13 . 1 1 122 122 LEU N N 122 119.806 119.806 118.798 1.008 25104 11573 1 13 . 1 1 122 122 LEU HA H 122 4.315 4.315 4.362 -0.047 25104 11574 1 13 . 1 1 122 122 LEU C C 122 173.304 173.304 176.180 -2.876 25104 11575 1 13 . 1 1 122 122 LEU CA C 122 54.543 54.543 54.054 0.488 25104 11576 1 13 . 1 1 122 122 LEU CB C 122 39.075 39.075 40.902 -1.827 25104 11577 1 13 . 1 1 122 122 LEU H H 122 7.037 7.037 6.979 0.058 25104 11578 1 13 . 1 1 123 123 ASP N N 123 122.205 122.205 120.420 1.785 25104 11579 1 13 . 1 1 123 123 ASP HA H 123 5.222 5.222 4.811 0.411 25104 11580 1 13 . 1 1 123 123 ASP C C 123 179.276 179.276 177.237 2.039 25104 11581 1 13 . 1 1 123 123 ASP CA C 123 55.889 55.889 55.139 0.750 25104 11582 1 13 . 1 1 123 123 ASP CB C 123 39.517 39.517 41.615 -2.098 25104 11583 1 13 . 1 1 123 123 ASP H H 123 7.643 7.643 7.273 0.370 25104 11584 1 13 . 1 1 124 124 GLY N N 124 111.205 111.205 108.940 2.265 25104 11585 1 13 . 1 1 124 124 GLY C C 124 173.148 173.148 174.022 -0.874 25104 11586 1 13 . 1 1 124 124 GLY CA C 124 45.114 45.114 45.674 -0.560 25104 11587 1 13 . 1 1 124 124 GLY H H 124 9.550 9.550 8.828 0.722 25104 11588 1 13 . 1 1 125 125 LYS N N 125 115.408 115.408 118.278 -2.870 25104 11589 1 13 . 1 1 125 125 LYS HA H 125 4.173 4.173 4.807 -0.634 25104 11590 1 13 . 1 1 125 125 LYS C C 125 176.351 176.351 175.499 0.852 25104 11591 1 13 . 1 1 125 125 LYS CA C 125 56.341 56.341 54.306 2.035 25104 11592 1 13 . 1 1 125 125 LYS CB C 125 35.504 35.504 35.778 -0.274 25104 11593 1 13 . 1 1 125 125 LYS H H 125 7.765 7.765 7.800 -0.035 25104 11594 1 13 . 1 1 126 126 HIS N N 126 119.526 119.526 116.466 3.060 25104 11595 1 13 . 1 1 126 126 HIS HA H 126 4.863 4.863 4.601 0.262 25104 11596 1 13 . 1 1 126 126 HIS C C 126 174.784 174.784 175.733 -0.949 25104 11597 1 13 . 1 1 126 126 HIS CA C 126 54.923 54.923 55.735 -0.812 25104 11598 1 13 . 1 1 126 126 HIS CB C 126 31.675 31.675 30.284 1.391 25104 11599 1 13 . 1 1 126 126 HIS H H 126 7.600 7.600 8.760 -1.160 25104 11600 1 13 . 1 1 127 127 VAL N N 127 125.009 125.009 120.857 4.152 25104 11601 1 13 . 1 1 127 127 VAL HA H 127 4.307 4.307 3.873 0.434 25104 11602 1 13 . 1 1 127 127 VAL C C 127 176.442 176.442 176.537 -0.095 25104 11603 1 13 . 1 1 127 127 VAL CA C 127 63.893 63.893 63.169 0.724 25104 11604 1 13 . 1 1 127 127 VAL CB C 127 33.553 33.553 31.169 2.384 25104 11605 1 13 . 1 1 127 127 VAL H H 127 8.523 8.523 8.170 0.353 25104 11606 1 13 . 1 1 128 128 VAL N N 128 133.065 133.065 125.569 7.496 25104 11607 1 13 . 1 1 128 128 VAL HA H 128 4.176 4.176 3.688 0.488 25104 11608 1 13 . 1 1 128 128 VAL C C 128 176.113 176.113 175.675 0.438 25104 11609 1 13 . 1 1 128 128 VAL CA C 128 63.172 63.172 62.788 0.384 25104 11610 1 13 . 1 1 128 128 VAL CB C 128 31.612 31.612 32.059 -0.447 25104 11611 1 13 . 1 1 128 128 VAL H H 128 9.474 9.474 8.199 1.275 25104 11612 1 13 . 1 1 129 129 PHE N N 129 117.892 117.892 118.618 -0.726 25104 11613 1 13 . 1 1 129 129 PHE HA H 129 5.308 5.308 4.983 0.325 25104 11614 1 13 . 1 1 129 129 PHE C C 129 173.725 173.725 173.872 -0.147 25104 11615 1 13 . 1 1 129 129 PHE CA C 129 55.969 55.969 56.539 -0.570 25104 11616 1 13 . 1 1 129 129 PHE CB C 129 42.581 42.581 40.992 1.589 25104 11617 1 13 . 1 1 129 129 PHE H H 129 8.138 8.138 7.862 0.276 25104 11618 1 13 . 1 1 130 130 GLY N N 130 110.747 110.747 106.691 4.056 25104 11619 1 13 . 1 1 130 130 GLY C C 130 171.591 171.591 171.996 -0.405 25104 11620 1 13 . 1 1 130 130 GLY CA C 130 46.505 46.505 44.583 1.922 25104 11621 1 13 . 1 1 130 130 GLY H H 130 7.356 7.356 7.391 -0.035 25104 11622 1 13 . 1 1 131 131 LYS N N 131 115.453 115.453 120.084 -4.631 25104 11623 1 13 . 1 1 131 131 LYS HA H 131 5.246 5.246 5.050 0.196 25104 11624 1 13 . 1 1 131 131 LYS C C 131 176.109 176.109 175.271 0.838 25104 11625 1 13 . 1 1 131 131 LYS CA C 131 54.887 54.887 55.380 -0.493 25104 11626 1 13 . 1 1 131 131 LYS CB C 131 36.077 36.077 37.345 -1.268 25104 11627 1 13 . 1 1 131 131 LYS H H 131 8.390 8.390 8.032 0.358 25104 11628 1 13 . 1 1 132 132 VAL N N 132 124.311 124.311 126.764 -2.453 25104 11629 1 13 . 1 1 132 132 VAL HA H 132 3.955 3.955 3.737 0.218 25104 11630 1 13 . 1 1 132 132 VAL C C 132 176.489 176.489 176.394 0.095 25104 11631 1 13 . 1 1 132 132 VAL CA C 132 64.284 64.284 63.902 0.382 25104 11632 1 13 . 1 1 132 132 VAL CB C 132 32.709 32.709 30.771 1.938 25104 11633 1 13 . 1 1 132 132 VAL H H 132 9.071 9.071 8.310 0.761 25104 11634 1 13 . 1 1 133 133 LYS N N 133 131.670 131.670 127.022 4.648 25104 11635 1 13 . 1 1 133 133 LYS HA H 133 4.483 4.483 4.350 0.133 25104 11636 1 13 . 1 1 133 133 LYS C C 133 176.283 176.283 177.094 -0.811 25104 11637 1 13 . 1 1 133 133 LYS CA C 133 56.978 56.978 56.868 0.110 25104 11638 1 13 . 1 1 133 133 LYS CB C 133 34.028 34.028 33.489 0.540 25104 11639 1 13 . 1 1 133 133 LYS H H 133 9.494 9.494 8.176 1.318 25104 11640 1 13 . 1 1 134 134 GLU N N 134 118.417 118.417 119.469 -1.052 25104 11641 1 13 . 1 1 134 134 GLU HA H 134 4.639 4.639 4.449 0.190 25104 11642 1 13 . 1 1 134 134 GLU C C 134 175.925 175.925 175.756 0.169 25104 11643 1 13 . 1 1 134 134 GLU CA C 134 55.235 55.235 56.041 -0.806 25104 11644 1 13 . 1 1 134 134 GLU CB C 134 32.909 32.909 32.240 0.669 25104 11645 1 13 . 1 1 134 134 GLU H H 134 7.571 7.571 7.864 -0.293 25104 11646 1 13 . 1 1 135 135 GLY N N 135 108.109 108.109 112.046 -3.937 25104 11647 1 13 . 1 1 135 135 GLY C C 135 178.060 178.060 175.328 2.732 25104 11648 1 13 . 1 1 135 135 GLY CA C 135 46.195 46.195 45.440 0.755 25104 11649 1 13 . 1 1 135 135 GLY H H 135 8.695 8.695 8.802 -0.107 25104 11650 1 13 . 1 1 136 136 MET N N 136 122.582 122.582 119.012 3.570 25104 11651 1 13 . 1 1 136 136 MET HA H 136 4.496 4.496 4.110 0.386 25104 11652 1 13 . 1 1 136 136 MET C C 136 178.649 178.649 176.901 1.748 25104 11653 1 13 . 1 1 136 136 MET CA C 136 56.829 56.829 56.442 0.387 25104 11654 1 13 . 1 1 136 136 MET CB C 136 30.215 30.215 32.451 -2.236 25104 11655 1 13 . 1 1 136 136 MET H H 136 8.854 8.854 8.306 0.548 25104 11656 1 13 . 1 1 137 137 ASN N N 137 114.457 114.457 116.945 -2.488 25104 11657 1 13 . 1 1 137 137 ASN HA H 137 4.504 4.504 4.649 -0.145 25104 11658 1 13 . 1 1 137 137 ASN C C 137 178.441 178.441 177.363 1.078 25104 11659 1 13 . 1 1 137 137 ASN CA C 137 55.819 55.819 55.598 0.221 25104 11660 1 13 . 1 1 137 137 ASN CB C 137 36.016 36.016 38.213 -2.197 25104 11661 1 13 . 1 1 137 137 ASN H H 137 8.932 8.932 8.601 0.331 25104 11662 1 13 . 1 1 138 138 ILE N N 138 124.190 124.190 119.817 4.373 25104 11663 1 13 . 1 1 138 138 ILE HA H 138 3.800 3.800 3.945 -0.145 25104 11664 1 13 . 1 1 138 138 ILE C C 138 178.595 178.595 177.414 1.181 25104 11665 1 13 . 1 1 138 138 ILE CA C 138 61.581 61.581 62.599 -1.018 25104 11666 1 13 . 1 1 138 138 ILE CB C 138 34.468 34.468 36.777 -2.309 25104 11667 1 13 . 1 1 138 138 ILE H H 138 7.686 7.686 7.294 0.392 25104 11668 1 13 . 1 1 139 139 VAL N N 139 121.912 121.912 120.724 1.188 25104 11669 1 13 . 1 1 139 139 VAL HA H 139 3.879 3.879 3.631 0.248 25104 11670 1 13 . 1 1 139 139 VAL C C 139 179.051 179.051 178.170 0.881 25104 11671 1 13 . 1 1 139 139 VAL CA C 139 66.206 66.206 67.513 -1.308 25104 11672 1 13 . 1 1 139 139 VAL CB C 139 31.195 31.195 31.274 -0.079 25104 11673 1 13 . 1 1 139 139 VAL H H 139 7.286 7.286 7.505 -0.219 25104 11674 1 13 . 1 1 140 140 GLU N N 140 117.357 117.357 118.237 -0.880 25104 11675 1 13 . 1 1 140 140 GLU HA H 140 4.095 4.095 4.027 0.068 25104 11676 1 13 . 1 1 140 140 GLU C C 140 180.486 180.486 177.282 3.204 25104 11677 1 13 . 1 1 140 140 GLU CA C 140 59.336 59.336 58.411 0.925 25104 11678 1 13 . 1 1 140 140 GLU CB C 140 30.199 30.199 29.472 0.727 25104 11679 1 13 . 1 1 140 140 GLU H H 140 8.309 8.309 8.007 0.302 25104 11680 1 13 . 1 1 141 141 ALA N N 141 121.133 121.133 121.823 -0.690 25104 11681 1 13 . 1 1 141 141 ALA HA H 141 4.118 4.118 4.000 0.118 25104 11682 1 13 . 1 1 141 141 ALA C C 141 181.524 181.524 179.895 1.629 25104 11683 1 13 . 1 1 141 141 ALA CA C 141 54.771 54.771 54.946 -0.175 25104 11684 1 13 . 1 1 141 141 ALA CB C 141 18.207 18.207 18.826 -0.619 25104 11685 1 13 . 1 1 141 141 ALA H H 141 7.539 7.539 7.563 -0.024 25104 11686 1 13 . 1 1 142 142 MET N N 142 117.513 117.513 116.990 0.523 25104 11687 1 13 . 1 1 142 142 MET HA H 142 3.993 3.993 4.574 -0.581 25104 11688 1 13 . 1 1 142 142 MET C C 142 178.862 178.862 178.390 0.472 25104 11689 1 13 . 1 1 142 142 MET CA C 142 59.678 59.678 58.552 1.126 25104 11690 1 13 . 1 1 142 142 MET CB C 142 33.723 33.723 32.242 1.481 25104 11691 1 13 . 1 1 142 142 MET H H 142 8.284 8.284 8.179 0.105 25104 11692 1 13 . 1 1 143 143 GLU N N 143 116.365 116.365 121.140 -4.775 25104 11693 1 13 . 1 1 143 143 GLU HA H 143 3.772 3.772 4.045 -0.273 25104 11694 1 13 . 1 1 143 143 GLU C C 143 179.051 179.051 178.849 0.202 25104 11695 1 13 . 1 1 143 143 GLU CA C 143 59.345 59.345 59.537 -0.192 25104 11696 1 13 . 1 1 143 143 GLU CB C 143 30.470 30.470 29.519 0.951 25104 11697 1 13 . 1 1 143 143 GLU H H 143 7.853 7.853 8.200 -0.347 25104 11698 1 13 . 1 1 144 144 ARG N N 144 114.753 114.753 116.366 -1.613 25104 11699 1 13 . 1 1 144 144 ARG HA H 144 3.978 3.978 4.214 -0.236 25104 11700 1 13 . 1 1 144 144 ARG C C 144 178.222 178.222 177.125 1.097 25104 11701 1 13 . 1 1 144 144 ARG CA C 144 57.669 57.669 57.141 0.528 25104 11702 1 13 . 1 1 144 144 ARG CB C 144 29.523 29.523 30.305 -0.782 25104 11703 1 13 . 1 1 144 144 ARG H H 144 7.082 7.082 7.369 -0.287 25104 11704 1 13 . 1 1 145 145 PHE N N 145 115.388 115.388 117.571 -2.183 25104 11705 1 13 . 1 1 145 145 PHE HA H 145 4.851 4.851 4.566 0.285 25104 11706 1 13 . 1 1 145 145 PHE C C 145 176.868 176.868 175.148 1.720 25104 11707 1 13 . 1 1 145 145 PHE CA C 145 57.717 57.717 57.973 -0.256 25104 11708 1 13 . 1 1 145 145 PHE CB C 145 38.998 38.998 38.803 0.195 25104 11709 1 13 . 1 1 145 145 PHE H H 145 7.651 7.651 7.215 0.436 25104 11710 1 13 . 1 1 146 146 GLY N N 146 104.842 104.842 106.168 -1.326 25104 11711 1 13 . 1 1 146 146 GLY C C 146 172.946 172.946 173.198 -0.252 25104 11712 1 13 . 1 1 146 146 GLY CA C 146 44.065 44.065 43.536 0.529 25104 11713 1 13 . 1 1 146 146 GLY H H 146 7.551 7.551 7.458 0.093 25104 11714 1 13 . 1 1 147 147 SER N N 147 110.079 110.079 112.657 -2.578 25104 11715 1 13 . 1 1 147 147 SER HA H 147 4.813 4.813 4.872 -0.059 25104 11716 1 13 . 1 1 147 147 SER C C 147 176.384 176.384 175.602 0.782 25104 11717 1 13 . 1 1 147 147 SER CA C 147 58.165 58.165 55.714 2.451 25104 11718 1 13 . 1 1 147 147 SER CB C 147 65.804 65.804 64.768 1.036 25104 11719 1 13 . 1 1 147 147 SER H H 147 8.229 8.229 8.289 -0.060 25104 11720 1 13 . 1 1 148 148 ARG N N 148 120.299 120.299 123.153 -2.854 25104 11721 1 13 . 1 1 148 148 ARG HA H 148 4.221 4.221 4.162 0.059 25104 11722 1 13 . 1 1 148 148 ARG C C 148 177.709 177.709 177.192 0.517 25104 11723 1 13 . 1 1 148 148 ARG CA C 148 59.810 59.810 58.397 1.413 25104 11724 1 13 . 1 1 148 148 ARG CB C 148 29.896 29.896 29.854 0.042 25104 11725 1 13 . 1 1 148 148 ARG H H 148 8.850 8.850 8.869 -0.019 25104 11726 1 13 . 1 1 149 149 ASN N N 149 111.689 111.689 114.216 -2.527 25104 11727 1 13 . 1 1 149 149 ASN HA H 149 4.901 4.901 4.614 0.287 25104 11728 1 13 . 1 1 149 149 ASN C C 149 177.708 177.708 176.111 1.597 25104 11729 1 13 . 1 1 149 149 ASN CA C 149 52.305 52.305 53.529 -1.224 25104 11730 1 13 . 1 1 149 149 ASN CB C 149 38.477 38.477 39.193 -0.716 25104 11731 1 13 . 1 1 149 149 ASN H H 149 7.891 7.891 7.693 0.198 25104 11732 1 13 . 1 1 150 150 GLY N N 150 110.138 110.138 107.519 2.619 25104 11733 1 13 . 1 1 150 150 GLY C C 150 174.368 174.368 173.299 1.069 25104 11734 1 13 . 1 1 150 150 GLY CA C 150 45.257 45.257 44.631 0.626 25104 11735 1 13 . 1 1 150 150 GLY H H 150 8.087 8.087 7.953 0.134 25104 11736 1 13 . 1 1 151 151 LYS N N 151 119.859 119.859 123.189 -3.330 25104 11737 1 13 . 1 1 151 151 LYS HA H 151 4.466 4.466 4.345 0.121 25104 11738 1 13 . 1 1 151 151 LYS C C 151 179.533 179.533 175.531 4.002 25104 11739 1 13 . 1 1 151 151 LYS CA C 151 57.088 57.088 56.779 0.309 25104 11740 1 13 . 1 1 151 151 LYS CB C 151 32.435 32.435 33.715 -1.280 25104 11741 1 13 . 1 1 151 151 LYS H H 151 7.534 7.534 8.055 -0.521 25104 11742 1 13 . 1 1 152 152 THR N N 152 116.442 116.442 116.718 -0.276 25104 11743 1 13 . 1 1 152 152 THR HA H 152 5.579 5.579 4.626 0.953 25104 11744 1 13 . 1 1 152 152 THR C C 152 176.969 176.969 174.998 1.971 25104 11745 1 13 . 1 1 152 152 THR CA C 152 60.097 60.097 61.147 -1.050 25104 11746 1 13 . 1 1 152 152 THR CB C 152 71.324 71.324 68.853 2.471 25104 11747 1 13 . 1 1 152 152 THR H H 152 8.837 8.837 8.616 0.221 25104 11748 1 13 . 1 1 153 153 SER N N 153 117.113 117.113 120.967 -3.854 25104 11749 1 13 . 1 1 153 153 SER HA H 153 4.574 4.574 4.364 0.210 25104 11750 1 13 . 1 1 153 153 SER C C 153 175.737 175.737 174.552 1.185 25104 11751 1 13 . 1 1 153 153 SER CA C 153 58.222 58.222 61.088 -2.866 25104 11752 1 13 . 1 1 153 153 SER CB C 153 63.922 63.922 63.681 0.242 25104 11753 1 13 . 1 1 153 153 SER H H 153 9.424 9.424 8.759 0.665 25104 11754 1 13 . 1 1 154 154 LYS N N 154 119.347 119.347 120.253 -0.906 25104 11755 1 13 . 1 1 154 154 LYS HA H 154 4.594 4.594 4.526 0.068 25104 11756 1 13 . 1 1 154 154 LYS C C 154 175.436 175.436 175.397 0.039 25104 11757 1 13 . 1 1 154 154 LYS CA C 154 54.578 54.578 54.059 0.519 25104 11758 1 13 . 1 1 154 154 LYS CB C 154 38.443 38.443 34.491 3.952 25104 11759 1 13 . 1 1 154 154 LYS H H 154 7.566 7.566 7.540 0.026 25104 11760 1 13 . 1 1 155 155 LYS N N 155 121.869 121.869 123.614 -1.745 25104 11761 1 13 . 1 1 155 155 LYS HA H 155 4.348 4.348 4.323 0.025 25104 11762 1 13 . 1 1 155 155 LYS C C 155 176.946 176.946 175.501 1.445 25104 11763 1 13 . 1 1 155 155 LYS CA C 155 56.325 56.325 55.823 0.502 25104 11764 1 13 . 1 1 155 155 LYS CB C 155 32.136 32.136 31.339 0.797 25104 11765 1 13 . 1 1 155 155 LYS H H 155 8.820 8.820 8.586 0.234 25104 11766 1 13 . 1 1 156 156 ILE N N 156 134.145 134.145 127.441 6.704 25104 11767 1 13 . 1 1 156 156 ILE HA H 156 5.134 5.134 5.027 0.107 25104 11768 1 13 . 1 1 156 156 ILE C C 156 177.451 177.451 175.397 2.054 25104 11769 1 13 . 1 1 156 156 ILE CA C 156 59.538 59.538 60.245 -0.707 25104 11770 1 13 . 1 1 156 156 ILE CB C 156 37.167 37.167 38.858 -1.691 25104 11771 1 13 . 1 1 156 156 ILE H H 156 9.609 9.609 7.906 1.703 25104 11772 1 13 . 1 1 157 157 THR N N 157 117.447 117.447 117.258 0.189 25104 11773 1 13 . 1 1 157 157 THR HA H 157 5.311 5.311 5.457 -0.146 25104 11774 1 13 . 1 1 157 157 THR C C 157 174.572 174.572 174.208 0.364 25104 11775 1 13 . 1 1 157 157 THR CA C 157 59.679 59.679 59.540 0.139 25104 11776 1 13 . 1 1 157 157 THR CB C 157 72.708 72.708 72.425 0.283 25104 11777 1 13 . 1 1 157 157 THR H H 157 9.281 9.281 8.994 0.287 25104 11778 1 13 . 1 1 158 158 ILE N N 158 121.950 121.950 123.376 -1.426 25104 11779 1 13 . 1 1 158 158 ILE HA H 158 4.293 4.293 4.459 -0.166 25104 11780 1 13 . 1 1 158 158 ILE C C 158 175.631 175.631 176.499 -0.868 25104 11781 1 13 . 1 1 158 158 ILE CA C 158 60.992 60.992 61.862 -0.870 25104 11782 1 13 . 1 1 158 158 ILE CB C 158 36.826 36.826 36.660 0.166 25104 11783 1 13 . 1 1 158 158 ILE H H 158 8.624 8.624 8.500 0.124 25104 11784 1 13 . 1 1 159 159 ALA N N 159 132.727 132.727 132.184 0.543 25104 11785 1 13 . 1 1 159 159 ALA HA H 159 4.179 4.179 4.085 0.094 25104 11786 1 13 . 1 1 159 159 ALA C C 159 179.489 179.489 177.182 2.307 25104 11787 1 13 . 1 1 159 159 ALA CA C 159 54.243 54.243 54.559 -0.316 25104 11788 1 13 . 1 1 159 159 ALA CB C 159 18.804 18.804 19.267 -0.463 25104 11789 1 13 . 1 1 159 159 ALA H H 159 8.910 8.910 8.717 0.193 25104 11790 1 13 . 1 1 160 160 ASP N N 160 111.561 111.561 112.469 -0.908 25104 11791 1 13 . 1 1 160 160 ASP HA H 160 4.937 4.937 4.973 -0.036 25104 11792 1 13 . 1 1 160 160 ASP C C 160 173.920 173.920 174.547 -0.627 25104 11793 1 13 . 1 1 160 160 ASP CA C 160 52.873 52.873 53.516 -0.643 25104 11794 1 13 . 1 1 160 160 ASP CB C 160 43.620 43.620 43.503 0.117 25104 11795 1 13 . 1 1 160 160 ASP H H 160 8.107 8.107 7.853 0.254 25104 11796 1 13 . 1 1 161 161 CYS N N 161 116.145 116.145 117.641 -1.496 25104 11797 1 13 . 1 1 161 161 CYS HA H 161 4.626 4.626 5.798 -1.172 25104 11798 1 13 . 1 1 161 161 CYS C C 161 173.426 173.426 174.496 -1.070 25104 11799 1 13 . 1 1 161 161 CYS CA C 161 55.518 55.518 55.668 -0.150 25104 11800 1 13 . 1 1 161 161 CYS CB C 161 31.463 31.463 32.291 -0.828 25104 11801 1 13 . 1 1 161 161 CYS H H 161 8.640 8.640 8.585 0.055 25104 11802 1 13 . 1 1 162 162 GLY N N 162 104.114 104.114 108.018 -3.904 25104 11803 1 13 . 1 1 162 162 GLY C C 162 171.116 171.116 173.445 -2.329 25104 11804 1 13 . 1 1 162 162 GLY CA C 162 45.436 45.436 44.747 0.689 25104 11805 1 13 . 1 1 162 162 GLY H H 162 6.889 6.889 8.694 -1.805 25104 11806 1 13 . 1 1 163 163 GLN N N 163 121.022 121.022 118.863 2.159 25104 11807 1 13 . 1 1 163 163 GLN HA H 163 5.150 5.150 4.236 0.914 25104 11808 1 13 . 1 1 163 163 GLN C C 163 176.548 176.548 175.347 1.201 25104 11809 1 13 . 1 1 163 163 GLN CA C 163 54.794 54.794 55.919 -1.125 25104 11810 1 13 . 1 1 163 163 GLN CB C 163 30.765 30.765 29.315 1.450 25104 11811 1 13 . 1 1 163 163 GLN H H 163 9.062 9.062 7.979 1.083 25104 11812 1 13 . 1 1 164 164 LEU N N 164 126.034 126.034 126.371 -0.337 25104 11813 1 13 . 1 1 164 164 LEU HA H 164 4.641 4.641 4.341 0.300 25104 11814 1 13 . 1 1 164 164 LEU C C 164 177.108 177.108 175.695 1.413 25104 11815 1 13 . 1 1 164 164 LEU CA C 164 55.036 55.036 54.914 0.122 25104 11816 1 13 . 1 1 164 164 LEU CB C 164 43.560 43.560 40.218 3.342 25104 11817 1 13 . 1 1 164 164 LEU H H 164 8.639 8.639 8.225 0.414 25104 11818 1 14 . 1 1 2 2 VAL N N 2 111.261 111.261 121.938 -10.677 25104 11819 1 14 . 1 1 2 2 VAL HA H 2 4.126 4.126 4.066 0.060 25104 11820 1 14 . 1 1 2 2 VAL C C 2 176.404 176.404 174.379 2.025 25104 11821 1 14 . 1 1 2 2 VAL CA C 2 61.417 61.417 62.005 -0.588 25104 11822 1 14 . 1 1 2 2 VAL CB C 2 33.763 33.763 30.143 3.620 25104 11823 1 14 . 1 1 2 2 VAL H H 2 8.447 8.447 8.462 -0.015 25104 11824 1 14 . 1 1 3 3 ASN N N 3 126.056 126.056 125.118 0.938 25104 11825 1 14 . 1 1 3 3 ASN HA H 3 5.205 5.205 5.385 -0.180 25104 11826 1 14 . 1 1 3 3 ASN CA C 3 50.987 50.987 50.827 0.160 25104 11827 1 14 . 1 1 3 3 ASN CB C 3 38.031 38.031 39.638 -1.607 25104 11828 1 14 . 1 1 3 3 ASN H H 3 8.666 8.666 7.684 0.982 25104 11829 1 14 . 1 1 4 4 PRO HA H 4 4.818 4.818 4.658 0.160 25104 11830 1 14 . 1 1 4 4 PRO C C 4 176.242 176.242 175.724 0.518 25104 11831 1 14 . 1 1 4 4 PRO CA C 4 62.832 62.832 62.334 0.498 25104 11832 1 14 . 1 1 4 4 PRO CB C 4 33.162 33.162 32.640 0.522 25104 11833 1 14 . 1 1 5 5 THR N N 5 115.265 115.265 116.962 -1.697 25104 11834 1 14 . 1 1 5 5 THR HA H 5 5.759 5.759 5.095 0.664 25104 11835 1 14 . 1 1 5 5 THR C C 5 176.483 176.483 174.870 1.613 25104 11836 1 14 . 1 1 5 5 THR CA C 5 60.867 60.867 62.431 -1.564 25104 11837 1 14 . 1 1 5 5 THR CB C 5 71.050 71.050 70.293 0.757 25104 11838 1 14 . 1 1 5 5 THR H H 5 8.787 8.787 8.159 0.628 25104 11839 1 14 . 1 1 6 6 VAL N N 6 120.640 120.640 123.890 -3.250 25104 11840 1 14 . 1 1 6 6 VAL HA H 6 5.379 5.379 4.309 1.070 25104 11841 1 14 . 1 1 6 6 VAL C C 6 174.710 174.710 174.249 0.461 25104 11842 1 14 . 1 1 6 6 VAL CA C 6 58.881 58.881 61.025 -2.144 25104 11843 1 14 . 1 1 6 6 VAL CB C 6 36.180 36.180 34.460 1.720 25104 11844 1 14 . 1 1 6 6 VAL H H 6 8.805 8.805 8.693 0.112 25104 11845 1 14 . 1 1 7 7 PHE N N 7 119.359 119.359 125.184 -5.825 25104 11846 1 14 . 1 1 7 7 PHE HA H 7 5.948 5.948 5.050 0.898 25104 11847 1 14 . 1 1 7 7 PHE C C 7 173.634 173.634 173.336 0.298 25104 11848 1 14 . 1 1 7 7 PHE CA C 7 55.925 55.925 56.378 -0.453 25104 11849 1 14 . 1 1 7 7 PHE CB C 7 43.166 43.166 42.097 1.069 25104 11850 1 14 . 1 1 7 7 PHE H H 7 8.995 8.995 8.293 0.702 25104 11851 1 14 . 1 1 8 8 PHE N N 8 117.097 117.097 124.482 -7.385 25104 11852 1 14 . 1 1 8 8 PHE HA H 8 5.367 5.367 5.220 0.147 25104 11853 1 14 . 1 1 8 8 PHE C C 8 176.000 176.000 173.938 2.062 25104 11854 1 14 . 1 1 8 8 PHE CA C 8 53.460 53.460 55.140 -1.680 25104 11855 1 14 . 1 1 8 8 PHE CB C 8 42.791 42.791 43.648 -0.857 25104 11856 1 14 . 1 1 8 8 PHE H H 8 9.571 9.571 8.579 0.992 25104 11857 1 14 . 1 1 9 9 ASP N N 9 124.287 124.287 121.753 2.534 25104 11858 1 14 . 1 1 9 9 ASP HA H 9 5.585 5.585 5.125 0.460 25104 11859 1 14 . 1 1 9 9 ASP C C 9 176.286 176.286 174.992 1.294 25104 11860 1 14 . 1 1 9 9 ASP CA C 9 54.831 54.831 53.787 1.044 25104 11861 1 14 . 1 1 9 9 ASP CB C 9 41.366 41.366 43.443 -2.077 25104 11862 1 14 . 1 1 9 9 ASP H H 9 9.301 9.301 8.808 0.493 25104 11863 1 14 . 1 1 10 10 ILE N N 10 124.286 124.286 123.484 0.802 25104 11864 1 14 . 1 1 10 10 ILE HA H 10 5.213 5.213 4.528 0.685 25104 11865 1 14 . 1 1 10 10 ILE C C 10 177.031 177.031 174.617 2.414 25104 11866 1 14 . 1 1 10 10 ILE CA C 10 58.233 58.233 58.932 -0.699 25104 11867 1 14 . 1 1 10 10 ILE CB C 10 37.769 37.769 37.920 -0.151 25104 11868 1 14 . 1 1 10 10 ILE H H 10 9.059 9.059 8.611 0.448 25104 11869 1 14 . 1 1 11 11 ALA N N 11 132.503 132.503 130.226 2.277 25104 11870 1 14 . 1 1 11 11 ALA HA H 11 5.216 5.216 5.014 0.202 25104 11871 1 14 . 1 1 11 11 ALA C C 11 175.928 175.928 175.224 0.704 25104 11872 1 14 . 1 1 11 11 ALA CA C 11 50.948 50.948 50.847 0.101 25104 11873 1 14 . 1 1 11 11 ALA CB C 11 22.804 22.804 22.151 0.654 25104 11874 1 14 . 1 1 11 11 ALA H H 11 9.642 9.642 8.726 0.916 25104 11875 1 14 . 1 1 12 12 VAL N N 12 118.551 118.551 124.696 -6.145 25104 11876 1 14 . 1 1 12 12 VAL HA H 12 4.578 4.578 4.014 0.564 25104 11877 1 14 . 1 1 12 12 VAL C C 12 177.347 177.347 176.042 1.305 25104 11878 1 14 . 1 1 12 12 VAL CA C 12 60.457 60.457 62.032 -1.575 25104 11879 1 14 . 1 1 12 12 VAL CB C 12 33.301 33.301 32.323 0.978 25104 11880 1 14 . 1 1 12 12 VAL H H 12 8.984 8.984 8.246 0.738 25104 11881 1 14 . 1 1 13 13 ASP N N 13 131.009 131.009 128.543 2.466 25104 11882 1 14 . 1 1 13 13 ASP HA H 13 4.359 4.359 4.229 0.130 25104 11883 1 14 . 1 1 13 13 ASP C C 13 176.795 176.795 176.553 0.242 25104 11884 1 14 . 1 1 13 13 ASP CA C 13 55.880 55.880 55.501 0.379 25104 11885 1 14 . 1 1 13 13 ASP CB C 13 39.999 39.999 39.510 0.489 25104 11886 1 14 . 1 1 13 13 ASP H H 13 9.868 9.868 8.862 1.006 25104 11887 1 14 . 1 1 14 14 GLY N N 14 101.848 101.848 104.856 -3.008 25104 11888 1 14 . 1 1 14 14 GLY C C 14 174.700 174.700 174.348 0.352 25104 11889 1 14 . 1 1 14 14 GLY CA C 14 45.303 45.303 45.388 -0.085 25104 11890 1 14 . 1 1 14 14 GLY H H 14 8.578 8.578 8.022 0.556 25104 11891 1 14 . 1 1 15 15 GLU N N 15 123.331 123.331 122.363 0.968 25104 11892 1 14 . 1 1 15 15 GLU HA H 15 4.891 4.891 4.681 0.210 25104 11893 1 14 . 1 1 15 15 GLU CA C 15 52.932 52.932 53.415 -0.483 25104 11894 1 14 . 1 1 15 15 GLU CB C 15 30.468 30.468 29.481 0.987 25104 11895 1 14 . 1 1 15 15 GLU H H 15 8.086 8.086 7.603 0.483 25104 11896 1 14 . 1 1 16 16 PRO HA H 16 4.240 4.240 4.360 -0.120 25104 11897 1 14 . 1 1 16 16 PRO C C 16 177.072 177.072 176.284 0.788 25104 11898 1 14 . 1 1 16 16 PRO CA C 16 64.838 64.838 63.884 0.954 25104 11899 1 14 . 1 1 16 16 PRO CB C 16 32.368 32.368 31.569 0.799 25104 11900 1 14 . 1 1 17 17 LEU N N 17 126.051 126.051 127.395 -1.344 25104 11901 1 14 . 1 1 17 17 LEU HA H 17 4.739 4.739 4.260 0.479 25104 11902 1 14 . 1 1 17 17 LEU C C 17 176.975 176.975 176.903 0.072 25104 11903 1 14 . 1 1 17 17 LEU CA C 17 55.511 55.511 55.800 -0.289 25104 11904 1 14 . 1 1 17 17 LEU CB C 17 44.257 44.257 43.181 1.076 25104 11905 1 14 . 1 1 17 17 LEU H H 17 9.237 9.237 8.455 0.782 25104 11906 1 14 . 1 1 18 18 GLY N N 18 102.496 102.496 105.184 -2.688 25104 11907 1 14 . 1 1 18 18 GLY C C 18 170.997 170.997 171.373 -0.376 25104 11908 1 14 . 1 1 18 18 GLY CA C 18 44.713 44.713 44.764 -0.051 25104 11909 1 14 . 1 1 18 18 GLY H H 18 7.303 7.303 7.664 -0.361 25104 11910 1 14 . 1 1 19 19 ARG N N 19 121.330 121.330 120.200 1.130 25104 11911 1 14 . 1 1 19 19 ARG HA H 19 5.665 5.665 4.717 0.948 25104 11912 1 14 . 1 1 19 19 ARG C C 19 176.011 176.011 174.823 1.188 25104 11913 1 14 . 1 1 19 19 ARG CA C 19 55.106 55.106 55.017 0.089 25104 11914 1 14 . 1 1 19 19 ARG CB C 19 33.587 33.587 32.053 1.534 25104 11915 1 14 . 1 1 19 19 ARG H H 19 8.348 8.348 8.372 -0.024 25104 11916 1 14 . 1 1 20 20 VAL N N 20 126.859 126.859 124.378 2.481 25104 11917 1 14 . 1 1 20 20 VAL HA H 20 4.650 4.650 4.296 0.354 25104 11918 1 14 . 1 1 20 20 VAL C C 20 174.836 174.836 173.849 0.987 25104 11919 1 14 . 1 1 20 20 VAL CA C 20 59.966 59.966 60.592 -0.626 25104 11920 1 14 . 1 1 20 20 VAL CB C 20 35.034 35.034 34.887 0.147 25104 11921 1 14 . 1 1 20 20 VAL H H 20 9.400 9.400 8.200 1.200 25104 11922 1 14 . 1 1 21 21 SER N N 21 120.319 120.319 121.238 -0.919 25104 11923 1 14 . 1 1 21 21 SER HA H 21 5.565 5.565 5.169 0.396 25104 11924 1 14 . 1 1 21 21 SER C C 21 174.694 174.694 173.595 1.099 25104 11925 1 14 . 1 1 21 21 SER CA C 21 55.462 55.462 56.526 -1.064 25104 11926 1 14 . 1 1 21 21 SER CB C 21 66.546 66.546 65.068 1.478 25104 11927 1 14 . 1 1 21 21 SER H H 21 8.791 8.791 8.148 0.643 25104 11928 1 14 . 1 1 22 22 PHE N N 22 119.239 119.239 123.692 -4.453 25104 11929 1 14 . 1 1 22 22 PHE HA H 22 5.279 5.279 5.037 0.242 25104 11930 1 14 . 1 1 22 22 PHE C C 22 176.190 176.190 175.509 0.681 25104 11931 1 14 . 1 1 22 22 PHE CA C 22 55.882 55.882 56.333 -0.451 25104 11932 1 14 . 1 1 22 22 PHE CB C 22 42.673 42.673 42.030 0.643 25104 11933 1 14 . 1 1 22 22 PHE H H 22 9.553 9.553 8.642 0.911 25104 11934 1 14 . 1 1 23 23 GLU N N 23 123.308 123.308 120.880 2.428 25104 11935 1 14 . 1 1 23 23 GLU HA H 23 4.797 4.797 5.051 -0.254 25104 11936 1 14 . 1 1 23 23 GLU C C 23 175.673 175.673 175.419 0.254 25104 11937 1 14 . 1 1 23 23 GLU CA C 23 55.119 55.119 55.235 -0.116 25104 11938 1 14 . 1 1 23 23 GLU CB C 23 32.058 32.058 32.883 -0.825 25104 11939 1 14 . 1 1 23 23 GLU H H 23 8.791 8.791 8.881 -0.090 25104 11940 1 14 . 1 1 24 24 LEU N N 24 122.539 122.539 126.387 -3.848 25104 11941 1 14 . 1 1 24 24 LEU HA H 24 4.749 4.749 4.760 -0.011 25104 11942 1 14 . 1 1 24 24 LEU C C 24 178.229 178.229 177.280 0.949 25104 11943 1 14 . 1 1 24 24 LEU CA C 24 51.899 51.899 54.321 -2.422 25104 11944 1 14 . 1 1 24 24 LEU CB C 24 43.248 43.248 43.098 0.150 25104 11945 1 14 . 1 1 24 24 LEU H H 24 8.198 8.198 8.846 -0.648 25104 11946 1 14 . 1 1 25 25 PHE N N 25 124.715 124.715 122.539 2.176 25104 11947 1 14 . 1 1 25 25 PHE HA H 25 5.171 5.171 4.710 0.461 25104 11948 1 14 . 1 1 25 25 PHE C C 25 177.485 177.485 175.426 2.059 25104 11949 1 14 . 1 1 25 25 PHE CA C 25 54.699 54.699 57.089 -2.390 25104 11950 1 14 . 1 1 25 25 PHE CB C 25 36.100 36.100 36.697 -0.597 25104 11951 1 14 . 1 1 25 25 PHE H H 25 8.864 8.864 9.184 -0.320 25104 11952 1 14 . 1 1 26 26 ALA N N 26 128.663 128.663 124.139 4.524 25104 11953 1 14 . 1 1 26 26 ALA HA H 26 3.838 3.838 4.443 -0.605 25104 11954 1 14 . 1 1 26 26 ALA C C 26 177.291 177.291 177.485 -0.194 25104 11955 1 14 . 1 1 26 26 ALA CA C 26 54.316 54.316 53.743 0.573 25104 11956 1 14 . 1 1 26 26 ALA CB C 26 19.002 19.002 18.536 0.466 25104 11957 1 14 . 1 1 26 26 ALA H H 26 8.480 8.480 7.737 0.743 25104 11958 1 14 . 1 1 27 27 ASP N N 27 114.191 114.191 116.287 -2.096 25104 11959 1 14 . 1 1 27 27 ASP HA H 27 4.197 4.197 4.525 -0.328 25104 11960 1 14 . 1 1 27 27 ASP C C 27 177.976 177.976 176.986 0.990 25104 11961 1 14 . 1 1 27 27 ASP CA C 27 55.410 55.410 55.294 0.116 25104 11962 1 14 . 1 1 27 27 ASP CB C 27 38.821 38.821 40.516 -1.695 25104 11963 1 14 . 1 1 27 27 ASP H H 27 9.145 9.145 8.274 0.871 25104 11964 1 14 . 1 1 28 28 LYS N N 28 118.107 118.107 118.508 -0.401 25104 11965 1 14 . 1 1 28 28 LYS HA H 28 4.599 4.599 4.493 0.106 25104 11966 1 14 . 1 1 28 28 LYS C C 28 177.840 177.840 176.969 0.871 25104 11967 1 14 . 1 1 28 28 LYS CA C 28 56.262 56.262 57.160 -0.898 25104 11968 1 14 . 1 1 28 28 LYS CB C 28 36.006 36.006 35.461 0.545 25104 11969 1 14 . 1 1 28 28 LYS H H 28 7.569 7.569 7.825 -0.256 25104 11970 1 14 . 1 1 29 29 VAL N N 29 114.551 114.551 116.170 -1.619 25104 11971 1 14 . 1 1 29 29 VAL HA H 29 4.487 4.487 4.704 -0.217 25104 11972 1 14 . 1 1 29 29 VAL CA C 29 58.309 58.309 58.731 -0.422 25104 11973 1 14 . 1 1 29 29 VAL CB C 29 32.078 32.078 31.329 0.749 25104 11974 1 14 . 1 1 29 29 VAL H H 29 8.364 8.364 8.070 0.294 25104 11975 1 14 . 1 1 30 30 PRO HA H 30 4.450 4.450 4.370 0.080 25104 11976 1 14 . 1 1 30 30 PRO C C 30 181.892 181.892 178.647 3.245 25104 11977 1 14 . 1 1 30 30 PRO CA C 30 66.227 66.227 65.239 0.988 25104 11978 1 14 . 1 1 30 30 PRO CB C 30 31.547 31.547 32.170 -0.623 25104 11979 1 14 . 1 1 31 31 LYS N N 31 123.785 123.785 118.129 5.656 25104 11980 1 14 . 1 1 31 31 LYS HA H 31 4.105 4.105 4.013 0.092 25104 11981 1 14 . 1 1 31 31 LYS C C 31 182.749 182.749 178.611 4.138 25104 11982 1 14 . 1 1 31 31 LYS CA C 31 61.057 61.057 60.094 0.963 25104 11983 1 14 . 1 1 31 31 LYS CB C 31 32.468 32.468 32.000 0.468 25104 11984 1 14 . 1 1 31 31 LYS H H 31 10.684 10.684 8.153 2.531 25104 11985 1 14 . 1 1 32 32 THR N N 32 124.002 124.002 113.918 10.084 25104 11986 1 14 . 1 1 32 32 THR HA H 32 4.034 4.034 4.137 -0.103 25104 11987 1 14 . 1 1 32 32 THR C C 32 178.673 178.673 176.380 2.293 25104 11988 1 14 . 1 1 32 32 THR CA C 32 67.526 67.526 66.474 1.052 25104 11989 1 14 . 1 1 32 32 THR CB C 32 68.705 68.705 67.993 0.712 25104 11990 1 14 . 1 1 32 32 THR H H 32 10.320 10.320 8.052 2.268 25104 11991 1 14 . 1 1 33 33 ALA N N 33 125.616 125.616 123.879 1.737 25104 11992 1 14 . 1 1 33 33 ALA HA H 33 4.092 4.092 4.323 -0.231 25104 11993 1 14 . 1 1 33 33 ALA C C 33 179.174 179.174 179.493 -0.319 25104 11994 1 14 . 1 1 33 33 ALA CA C 33 55.972 55.972 55.162 0.810 25104 11995 1 14 . 1 1 33 33 ALA CB C 33 18.414 18.414 18.296 0.118 25104 11996 1 14 . 1 1 33 33 ALA H H 33 9.311 9.311 7.879 1.432 25104 11997 1 14 . 1 1 34 34 GLU N N 34 117.376 117.376 118.866 -1.490 25104 11998 1 14 . 1 1 34 34 GLU HA H 34 4.556 4.556 4.112 0.444 25104 11999 1 14 . 1 1 34 34 GLU C C 34 178.418 178.418 178.761 -0.343 25104 12000 1 14 . 1 1 34 34 GLU CA C 34 58.238 58.238 58.665 -0.427 25104 12001 1 14 . 1 1 34 34 GLU CB C 34 28.181 28.181 29.606 -1.425 25104 12002 1 14 . 1 1 34 34 GLU H H 34 8.069 8.069 8.127 -0.058 25104 12003 1 14 . 1 1 35 35 ASN N N 35 115.722 115.722 119.128 -3.406 25104 12004 1 14 . 1 1 35 35 ASN HA H 35 4.108 4.108 4.357 -0.249 25104 12005 1 14 . 1 1 35 35 ASN C C 35 175.568 175.568 177.324 -1.756 25104 12006 1 14 . 1 1 35 35 ASN CA C 35 56.768 56.768 56.136 0.632 25104 12007 1 14 . 1 1 35 35 ASN CB C 35 39.644 39.644 38.410 1.234 25104 12008 1 14 . 1 1 35 35 ASN H H 35 7.193 7.193 8.196 -1.003 25104 12009 1 14 . 1 1 36 36 PHE N N 36 117.929 117.929 120.894 -2.965 25104 12010 1 14 . 1 1 36 36 PHE HA H 36 4.158 4.158 4.005 0.153 25104 12011 1 14 . 1 1 36 36 PHE C C 36 179.707 179.707 177.187 2.520 25104 12012 1 14 . 1 1 36 36 PHE CA C 36 61.589 61.589 61.180 0.409 25104 12013 1 14 . 1 1 36 36 PHE CB C 36 39.948 39.948 38.982 0.966 25104 12014 1 14 . 1 1 36 36 PHE H H 36 7.065 7.065 7.749 -0.684 25104 12015 1 14 . 1 1 37 37 ARG N N 37 121.048 121.048 120.238 0.810 25104 12016 1 14 . 1 1 37 37 ARG HA H 37 3.685 3.685 3.876 -0.191 25104 12017 1 14 . 1 1 37 37 ARG C C 37 179.000 179.000 178.118 0.882 25104 12018 1 14 . 1 1 37 37 ARG CA C 37 60.515 60.515 59.691 0.824 25104 12019 1 14 . 1 1 37 37 ARG CB C 37 29.880 29.880 30.199 -0.319 25104 12020 1 14 . 1 1 37 37 ARG H H 37 8.975 8.975 8.158 0.817 25104 12021 1 14 . 1 1 38 38 ALA N N 38 119.232 119.232 121.824 -2.592 25104 12022 1 14 . 1 1 38 38 ALA HA H 38 4.126 4.126 4.176 -0.050 25104 12023 1 14 . 1 1 38 38 ALA C C 38 183.365 183.365 180.386 2.979 25104 12024 1 14 . 1 1 38 38 ALA CA C 38 54.477 54.477 54.736 -0.259 25104 12025 1 14 . 1 1 38 38 ALA CB C 38 18.405 18.405 18.443 -0.038 25104 12026 1 14 . 1 1 38 38 ALA H H 38 8.741 8.741 7.753 0.988 25104 12027 1 14 . 1 1 39 39 LEU N N 39 120.723 120.723 118.575 2.148 25104 12028 1 14 . 1 1 39 39 LEU HA H 39 3.800 3.800 4.124 -0.324 25104 12029 1 14 . 1 1 39 39 LEU C C 39 180.481 180.481 179.273 1.208 25104 12030 1 14 . 1 1 39 39 LEU CA C 39 57.268 57.268 58.078 -0.810 25104 12031 1 14 . 1 1 39 39 LEU CB C 39 41.218 41.218 41.877 -0.659 25104 12032 1 14 . 1 1 39 39 LEU H H 39 8.212 8.212 8.244 -0.032 25104 12033 1 14 . 1 1 40 40 SER N N 40 119.210 119.210 114.078 5.132 25104 12034 1 14 . 1 1 40 40 SER HA H 40 4.341 4.341 4.384 -0.043 25104 12035 1 14 . 1 1 40 40 SER C C 40 175.380 175.380 176.945 -1.565 25104 12036 1 14 . 1 1 40 40 SER CA C 40 62.924 62.924 61.779 1.145 25104 12037 1 14 . 1 1 40 40 SER CB C 40 62.992 62.992 63.213 -0.221 25104 12038 1 14 . 1 1 40 40 SER H H 40 7.938 7.938 7.965 -0.027 25104 12039 1 14 . 1 1 41 41 THR N N 41 108.556 108.556 112.578 -4.022 25104 12040 1 14 . 1 1 41 41 THR HA H 41 4.508 4.508 4.256 0.252 25104 12041 1 14 . 1 1 41 41 THR C C 41 179.088 179.088 176.380 2.708 25104 12042 1 14 . 1 1 41 41 THR CA C 41 62.492 62.492 63.695 -1.203 25104 12043 1 14 . 1 1 41 41 THR CB C 41 69.663 69.663 69.576 0.087 25104 12044 1 14 . 1 1 41 41 THR H H 41 8.017 8.017 8.223 -0.206 25104 12045 1 14 . 1 1 42 42 GLY N N 42 108.433 108.433 110.540 -2.107 25104 12046 1 14 . 1 1 42 42 GLY C C 42 178.676 178.676 175.965 2.711 25104 12047 1 14 . 1 1 42 42 GLY CA C 42 45.840 45.840 45.454 0.386 25104 12048 1 14 . 1 1 42 42 GLY H H 42 7.621 7.621 7.837 -0.216 25104 12049 1 14 . 1 1 43 43 GLU N N 43 118.777 118.777 120.707 -1.930 25104 12050 1 14 . 1 1 43 43 GLU HA H 43 4.171 4.171 4.118 0.053 25104 12051 1 14 . 1 1 43 43 GLU C C 43 177.458 177.458 177.356 0.102 25104 12052 1 14 . 1 1 43 43 GLU CA C 43 58.580 58.580 58.069 0.511 25104 12053 1 14 . 1 1 43 43 GLU H H 43 8.049 8.049 8.085 -0.036 25104 12054 1 14 . 1 1 44 44 LYS N N 44 118.526 118.526 115.841 2.685 25104 12055 1 14 . 1 1 44 44 LYS HA H 44 4.342 4.342 4.380 -0.038 25104 12056 1 14 . 1 1 44 44 LYS C C 44 177.590 177.590 176.377 1.213 25104 12057 1 14 . 1 1 44 44 LYS CA C 44 54.405 54.405 54.499 -0.094 25104 12058 1 14 . 1 1 44 44 LYS CB C 44 30.488 30.488 32.541 -2.053 25104 12059 1 14 . 1 1 44 44 LYS H H 44 9.123 9.123 7.328 1.795 25104 12060 1 14 . 1 1 45 45 GLY N N 45 105.553 105.553 107.816 -2.263 25104 12061 1 14 . 1 1 45 45 GLY C C 45 173.518 173.518 175.163 -1.645 25104 12062 1 14 . 1 1 45 45 GLY CA C 45 44.612 44.612 45.771 -1.159 25104 12063 1 14 . 1 1 45 45 GLY H H 45 7.970 7.970 7.679 0.291 25104 12064 1 14 . 1 1 46 46 PHE N N 46 113.753 113.753 121.193 -7.440 25104 12065 1 14 . 1 1 46 46 PHE HA H 46 4.678 4.678 4.107 0.571 25104 12066 1 14 . 1 1 46 46 PHE C C 46 173.684 173.684 176.777 -3.093 25104 12067 1 14 . 1 1 46 46 PHE CA C 46 54.077 54.077 57.522 -3.445 25104 12068 1 14 . 1 1 46 46 PHE CB C 46 39.658 39.658 38.611 1.047 25104 12069 1 14 . 1 1 46 46 PHE H H 46 6.469 6.469 7.281 -0.812 25104 12070 1 14 . 1 1 47 47 GLY N N 47 104.722 104.722 106.104 -1.382 25104 12071 1 14 . 1 1 47 47 GLY C C 47 172.446 172.446 174.816 -2.370 25104 12072 1 14 . 1 1 47 47 GLY CA C 47 45.601 45.601 45.542 0.059 25104 12073 1 14 . 1 1 47 47 GLY H H 47 7.756 7.756 8.047 -0.291 25104 12074 1 14 . 1 1 48 48 TYR N N 48 113.796 113.796 120.220 -6.424 25104 12075 1 14 . 1 1 48 48 TYR HA H 48 4.270 4.270 4.224 0.046 25104 12076 1 14 . 1 1 48 48 TYR C C 48 178.924 178.924 176.010 2.914 25104 12077 1 14 . 1 1 48 48 TYR CA C 48 57.365 57.365 58.832 -1.467 25104 12078 1 14 . 1 1 48 48 TYR CB C 48 38.832 38.832 37.129 1.704 25104 12079 1 14 . 1 1 48 48 TYR H H 48 6.948 6.948 8.117 -1.169 25104 12080 1 14 . 1 1 49 49 LYS N N 49 124.858 124.858 125.264 -0.406 25104 12081 1 14 . 1 1 49 49 LYS HA H 49 3.655 3.655 4.446 -0.791 25104 12082 1 14 . 1 1 49 49 LYS C C 49 178.388 178.388 176.997 1.391 25104 12083 1 14 . 1 1 49 49 LYS CA C 49 61.018 61.018 54.907 6.111 25104 12084 1 14 . 1 1 49 49 LYS CB C 49 31.484 31.484 33.709 -2.225 25104 12085 1 14 . 1 1 49 49 LYS H H 49 8.493 8.493 7.826 0.667 25104 12086 1 14 . 1 1 50 50 GLY N N 50 117.833 117.833 115.679 2.154 25104 12087 1 14 . 1 1 50 50 GLY C C 50 175.259 175.259 174.456 0.803 25104 12088 1 14 . 1 1 50 50 GLY CA C 50 45.495 45.495 45.372 0.123 25104 12089 1 14 . 1 1 50 50 GLY H H 50 9.509 9.509 8.569 0.940 25104 12090 1 14 . 1 1 51 51 SER N N 51 116.413 116.413 115.947 0.466 25104 12091 1 14 . 1 1 51 51 SER HA H 51 4.516 4.516 4.541 -0.025 25104 12092 1 14 . 1 1 51 51 SER C C 51 172.808 172.808 175.398 -2.590 25104 12093 1 14 . 1 1 51 51 SER CA C 51 59.043 59.043 58.267 0.776 25104 12094 1 14 . 1 1 51 51 SER CB C 51 63.781 63.781 63.619 0.162 25104 12095 1 14 . 1 1 51 51 SER H H 51 8.436 8.436 7.838 0.598 25104 12096 1 14 . 1 1 52 52 CYS N N 52 115.156 115.156 125.626 -10.470 25104 12097 1 14 . 1 1 52 52 CYS HA H 52 5.932 5.932 5.133 0.799 25104 12098 1 14 . 1 1 52 52 CYS C C 52 177.437 177.437 175.034 2.403 25104 12099 1 14 . 1 1 52 52 CYS CA C 52 55.998 55.998 56.530 -0.532 25104 12100 1 14 . 1 1 52 52 CYS CB C 52 31.953 31.953 28.888 3.065 25104 12101 1 14 . 1 1 52 52 CYS H H 52 9.875 9.875 8.420 1.455 25104 12102 1 14 . 1 1 53 53 PHE N N 53 123.068 123.068 125.262 -2.194 25104 12103 1 14 . 1 1 53 53 PHE HA H 53 4.899 4.899 4.536 0.363 25104 12104 1 14 . 1 1 53 53 PHE C C 53 175.886 175.886 176.349 -0.463 25104 12105 1 14 . 1 1 53 53 PHE CA C 53 58.389 58.389 57.316 1.073 25104 12106 1 14 . 1 1 53 53 PHE CB C 53 39.535 39.535 36.301 3.234 25104 12107 1 14 . 1 1 53 53 PHE H H 53 8.732 8.732 9.382 -0.650 25104 12108 1 14 . 1 1 54 54 HIS N N 54 120.227 120.227 119.220 1.007 25104 12109 1 14 . 1 1 54 54 HIS HA H 54 4.763 4.763 4.515 0.248 25104 12110 1 14 . 1 1 54 54 HIS C C 54 176.409 176.409 175.114 1.295 25104 12111 1 14 . 1 1 54 54 HIS CA C 54 57.323 57.323 57.518 -0.195 25104 12112 1 14 . 1 1 54 54 HIS CB C 54 31.542 31.542 30.452 1.090 25104 12113 1 14 . 1 1 54 54 HIS H H 54 7.696 7.696 7.856 -0.160 25104 12114 1 14 . 1 1 55 55 ARG N N 55 123.202 123.202 120.812 2.390 25104 12115 1 14 . 1 1 55 55 ARG HA H 55 5.118 5.118 5.499 -0.381 25104 12116 1 14 . 1 1 55 55 ARG C C 55 174.511 174.511 173.981 0.530 25104 12117 1 14 . 1 1 55 55 ARG CA C 55 54.913 54.913 54.725 0.188 25104 12118 1 14 . 1 1 55 55 ARG CB C 55 33.805 33.805 31.299 2.506 25104 12119 1 14 . 1 1 55 55 ARG H H 55 7.089 7.089 7.010 0.079 25104 12120 1 14 . 1 1 56 56 ILE N N 56 126.621 126.621 125.847 0.774 25104 12121 1 14 . 1 1 56 56 ILE HA H 56 4.659 4.659 4.762 -0.103 25104 12122 1 14 . 1 1 56 56 ILE C C 56 174.633 174.633 174.180 0.453 25104 12123 1 14 . 1 1 56 56 ILE CA C 56 61.585 61.585 60.315 1.270 25104 12124 1 14 . 1 1 56 56 ILE CB C 56 41.452 41.452 42.114 -0.662 25104 12125 1 14 . 1 1 56 56 ILE H H 56 9.201 9.201 8.366 0.835 25104 12126 1 14 . 1 1 57 57 ILE N N 57 127.965 127.965 123.647 4.318 25104 12127 1 14 . 1 1 57 57 ILE HA H 57 5.248 5.248 5.059 0.189 25104 12128 1 14 . 1 1 57 57 ILE CA C 57 57.685 57.685 57.808 -0.123 25104 12129 1 14 . 1 1 57 57 ILE CB C 57 40.236 40.236 42.120 -1.884 25104 12130 1 14 . 1 1 57 57 ILE H H 57 8.753 8.753 9.107 -0.354 25104 12131 1 14 . 1 1 58 58 PRO HA H 58 4.382 4.382 4.549 -0.167 25104 12132 1 14 . 1 1 58 58 PRO C C 58 178.669 178.669 177.584 1.085 25104 12133 1 14 . 1 1 58 58 PRO CA C 58 63.086 63.086 63.049 0.037 25104 12134 1 14 . 1 1 58 58 PRO CB C 58 31.996 31.996 32.343 -0.347 25104 12135 1 14 . 1 1 59 59 GLY N N 59 114.176 114.176 110.152 4.024 25104 12136 1 14 . 1 1 59 59 GLY C C 59 173.281 173.281 173.707 -0.426 25104 12137 1 14 . 1 1 59 59 GLY CA C 59 45.259 45.259 46.046 -0.787 25104 12138 1 14 . 1 1 59 59 GLY H H 59 9.752 9.752 8.262 1.490 25104 12139 1 14 . 1 1 60 60 PHE N N 60 119.241 119.241 118.521 0.720 25104 12140 1 14 . 1 1 60 60 PHE HA H 60 5.153 5.153 4.951 0.202 25104 12141 1 14 . 1 1 60 60 PHE C C 60 174.401 174.401 173.044 1.357 25104 12142 1 14 . 1 1 60 60 PHE CA C 60 56.867 56.867 57.826 -0.959 25104 12143 1 14 . 1 1 60 60 PHE CB C 60 39.954 39.954 41.949 -1.995 25104 12144 1 14 . 1 1 60 60 PHE H H 60 8.196 8.196 8.107 0.089 25104 12145 1 14 . 1 1 61 61 MET N N 61 111.262 111.262 116.908 -5.646 25104 12146 1 14 . 1 1 61 61 MET HA H 61 5.369 5.369 4.915 0.454 25104 12147 1 14 . 1 1 61 61 MET C C 61 175.163 175.163 173.031 2.132 25104 12148 1 14 . 1 1 61 61 MET CA C 61 55.062 55.062 55.519 -0.457 25104 12149 1 14 . 1 1 61 61 MET CB C 61 35.010 35.010 36.221 -1.211 25104 12150 1 14 . 1 1 61 61 MET H H 61 8.128 8.128 8.453 -0.325 25104 12151 1 14 . 1 1 62 62 CYS N N 62 114.848 114.848 122.146 -7.298 25104 12152 1 14 . 1 1 62 62 CYS HA H 62 4.941 4.941 4.976 -0.035 25104 12153 1 14 . 1 1 62 62 CYS C C 62 174.075 174.075 173.198 0.877 25104 12154 1 14 . 1 1 62 62 CYS CA C 62 57.485 57.485 56.484 1.001 25104 12155 1 14 . 1 1 62 62 CYS CB C 62 30.392 30.392 29.077 1.315 25104 12156 1 14 . 1 1 62 62 CYS H H 62 8.501 8.501 8.823 -0.322 25104 12157 1 14 . 1 1 63 63 GLN N N 63 126.854 126.854 126.874 -0.020 25104 12158 1 14 . 1 1 63 63 GLN HA H 63 5.410 5.410 4.804 0.606 25104 12159 1 14 . 1 1 63 63 GLN C C 63 175.024 175.024 174.818 0.206 25104 12160 1 14 . 1 1 63 63 GLN CA C 63 54.691 54.691 54.236 0.455 25104 12161 1 14 . 1 1 63 63 GLN CB C 63 30.529 30.529 31.770 -1.242 25104 12162 1 14 . 1 1 63 63 GLN H H 63 9.671 9.671 8.919 0.752 25104 12163 1 14 . 1 1 64 64 GLY N N 64 110.745 110.745 112.391 -1.646 25104 12164 1 14 . 1 1 64 64 GLY C C 64 174.113 174.113 172.099 2.014 25104 12165 1 14 . 1 1 64 64 GLY CA C 64 44.788 44.788 43.029 1.759 25104 12166 1 14 . 1 1 64 64 GLY H H 64 7.401 7.401 8.170 -0.769 25104 12167 1 14 . 1 1 65 65 GLY N N 65 105.815 105.815 108.801 -2.986 25104 12168 1 14 . 1 1 65 65 GLY C C 65 176.175 176.175 172.079 4.096 25104 12169 1 14 . 1 1 65 65 GLY CA C 65 46.659 46.659 45.419 1.240 25104 12170 1 14 . 1 1 65 65 GLY H H 65 9.265 9.265 7.699 1.566 25104 12171 1 14 . 1 1 66 66 ASP N N 66 123.911 123.911 124.379 -0.468 25104 12172 1 14 . 1 1 66 66 ASP HA H 66 4.337 4.337 4.801 -0.464 25104 12173 1 14 . 1 1 66 66 ASP C C 66 177.105 177.105 176.943 0.162 25104 12174 1 14 . 1 1 66 66 ASP CA C 66 51.592 51.592 52.769 -1.177 25104 12175 1 14 . 1 1 66 66 ASP CB C 66 38.926 38.926 43.629 -4.703 25104 12176 1 14 . 1 1 66 66 ASP H H 66 9.950 9.950 7.902 2.048 25104 12177 1 14 . 1 1 67 67 PHE N N 67 116.285 116.285 121.064 -4.779 25104 12178 1 14 . 1 1 67 67 PHE HA H 67 4.655 4.655 4.314 0.341 25104 12179 1 14 . 1 1 67 67 PHE C C 67 175.240 175.240 176.155 -0.915 25104 12180 1 14 . 1 1 67 67 PHE CA C 67 55.683 55.683 60.768 -5.085 25104 12181 1 14 . 1 1 67 67 PHE CB C 67 39.480 39.480 39.514 -0.034 25104 12182 1 14 . 1 1 67 67 PHE H H 67 6.660 6.660 8.894 -2.234 25104 12183 1 14 . 1 1 68 68 THR N N 68 109.280 109.280 118.353 -9.073 25104 12184 1 14 . 1 1 68 68 THR HA H 68 4.692 4.692 4.091 0.601 25104 12185 1 14 . 1 1 68 68 THR C C 68 176.514 176.514 174.371 2.143 25104 12186 1 14 . 1 1 68 68 THR CA C 68 61.962 61.962 64.879 -2.917 25104 12187 1 14 . 1 1 68 68 THR CB C 68 68.922 68.922 68.561 0.361 25104 12188 1 14 . 1 1 68 68 THR H H 68 7.400 7.400 7.995 -0.595 25104 12189 1 14 . 1 1 69 69 ARG N N 69 122.125 122.125 121.354 0.771 25104 12190 1 14 . 1 1 69 69 ARG HA H 69 4.421 4.421 3.716 0.705 25104 12191 1 14 . 1 1 69 69 ARG CA C 69 55.265 55.265 57.495 -2.231 25104 12192 1 14 . 1 1 69 69 ARG CB C 69 31.727 31.727 27.614 4.113 25104 12193 1 14 . 1 1 69 69 ARG H H 69 8.719 8.719 8.901 -0.182 25104 12194 1 14 . 1 1 70 70 HIS N N 70 111.574 111.574 116.751 -5.177 25104 12195 1 14 . 1 1 70 70 HIS HA H 70 4.451 4.451 4.249 0.202 25104 12196 1 14 . 1 1 70 70 HIS C C 70 175.306 175.306 175.539 -0.233 25104 12197 1 14 . 1 1 70 70 HIS CA C 70 57.193 57.193 58.058 -0.865 25104 12198 1 14 . 1 1 70 70 HIS CB C 70 28.587 28.587 29.206 -0.619 25104 12199 1 14 . 1 1 70 70 HIS H H 70 6.865 6.865 7.727 -0.862 25104 12200 1 14 . 1 1 71 71 ASN N N 71 112.710 112.710 118.363 -5.653 25104 12201 1 14 . 1 1 71 71 ASN HA H 71 4.673 4.673 4.353 0.320 25104 12202 1 14 . 1 1 71 71 ASN C C 71 176.752 176.752 175.421 1.331 25104 12203 1 14 . 1 1 71 71 ASN CA C 71 52.366 52.366 53.258 -0.892 25104 12204 1 14 . 1 1 71 71 ASN CB C 71 39.036 39.036 36.630 2.406 25104 12205 1 14 . 1 1 71 71 ASN H H 71 7.594 7.594 7.552 0.042 25104 12206 1 14 . 1 1 72 72 GLY N N 72 110.452 110.452 111.766 -1.314 25104 12207 1 14 . 1 1 72 72 GLY C C 72 176.669 176.669 174.073 2.596 25104 12208 1 14 . 1 1 72 72 GLY CA C 72 44.887 44.887 45.765 -0.878 25104 12209 1 14 . 1 1 72 72 GLY H H 72 9.642 9.642 8.232 1.410 25104 12210 1 14 . 1 1 73 73 THR N N 73 112.024 112.024 115.049 -3.025 25104 12211 1 14 . 1 1 73 73 THR HA H 73 4.541 4.541 4.477 0.064 25104 12212 1 14 . 1 1 73 73 THR C C 73 176.905 176.905 173.439 3.466 25104 12213 1 14 . 1 1 73 73 THR CA C 73 62.235 62.235 61.849 0.386 25104 12214 1 14 . 1 1 73 73 THR CB C 73 70.677 70.677 70.957 -0.280 25104 12215 1 14 . 1 1 73 73 THR H H 73 7.967 7.967 7.658 0.309 25104 12216 1 14 . 1 1 74 74 GLY N N 74 113.872 113.872 109.506 4.366 25104 12217 1 14 . 1 1 74 74 GLY C C 74 176.149 176.149 174.099 2.050 25104 12218 1 14 . 1 1 74 74 GLY CA C 74 45.126 45.126 45.444 -0.318 25104 12219 1 14 . 1 1 74 74 GLY H H 74 8.711 8.711 7.751 0.960 25104 12220 1 14 . 1 1 75 75 GLY N N 75 109.032 109.032 105.550 3.482 25104 12221 1 14 . 1 1 75 75 GLY C C 75 173.012 173.012 173.853 -0.841 25104 12222 1 14 . 1 1 75 75 GLY CA C 75 43.371 43.371 44.492 -1.121 25104 12223 1 14 . 1 1 75 75 GLY H H 75 8.117 8.117 7.566 0.551 25104 12224 1 14 . 1 1 76 76 LYS N N 76 115.705 115.705 119.990 -4.285 25104 12225 1 14 . 1 1 76 76 LYS HA H 76 4.623 4.623 4.522 0.101 25104 12226 1 14 . 1 1 76 76 LYS C C 76 173.512 173.512 176.567 -3.055 25104 12227 1 14 . 1 1 76 76 LYS CA C 76 55.975 55.975 56.169 -0.194 25104 12228 1 14 . 1 1 76 76 LYS CB C 76 34.648 34.648 33.017 1.631 25104 12229 1 14 . 1 1 76 76 LYS H H 76 7.034 7.034 7.652 -0.618 25104 12230 1 14 . 1 1 77 77 SER N N 77 114.354 114.354 114.748 -0.394 25104 12231 1 14 . 1 1 77 77 SER HA H 77 5.240 5.240 4.610 0.630 25104 12232 1 14 . 1 1 77 77 SER C C 77 176.746 176.746 174.860 1.886 25104 12233 1 14 . 1 1 77 77 SER CA C 77 57.077 57.077 57.413 -0.336 25104 12234 1 14 . 1 1 77 77 SER CB C 77 69.863 69.863 65.775 4.088 25104 12235 1 14 . 1 1 77 77 SER H H 77 7.793 7.793 8.148 -0.355 25104 12236 1 14 . 1 1 78 78 ILE N N 78 111.394 111.394 113.404 -2.010 25104 12237 1 14 . 1 1 78 78 ILE HA H 78 4.208 4.208 4.445 -0.237 25104 12238 1 14 . 1 1 78 78 ILE C C 78 176.973 176.973 175.630 1.343 25104 12239 1 14 . 1 1 78 78 ILE CA C 78 63.675 63.675 62.300 1.375 25104 12240 1 14 . 1 1 78 78 ILE CB C 78 37.434 37.434 38.462 -1.028 25104 12241 1 14 . 1 1 78 78 ILE H H 78 8.584 8.584 8.314 0.270 25104 12242 1 14 . 1 1 79 79 TYR N N 79 120.757 120.757 118.391 2.366 25104 12243 1 14 . 1 1 79 79 TYR HA H 79 4.718 4.718 4.501 0.217 25104 12244 1 14 . 1 1 79 79 TYR C C 79 176.316 176.316 176.211 0.105 25104 12245 1 14 . 1 1 79 79 TYR CA C 79 56.216 56.216 58.625 -2.409 25104 12246 1 14 . 1 1 79 79 TYR CB C 79 38.891 38.891 39.042 -0.151 25104 12247 1 14 . 1 1 79 79 TYR H H 79 8.058 8.058 7.780 0.278 25104 12248 1 14 . 1 1 80 80 GLY N N 80 106.521 106.521 106.766 -0.245 25104 12249 1 14 . 1 1 80 80 GLY CA C 80 46.021 46.021 45.209 0.812 25104 12250 1 14 . 1 1 80 80 GLY H H 80 7.152 7.152 7.503 -0.351 25104 12251 1 14 . 1 1 81 81 GLU N N 81 122.638 122.638 119.801 2.837 25104 12252 1 14 . 1 1 81 81 GLU HA H 81 4.008 4.008 4.058 -0.050 25104 12253 1 14 . 1 1 81 81 GLU C C 81 176.729 176.729 175.531 1.198 25104 12254 1 14 . 1 1 81 81 GLU CA C 81 60.602 60.602 59.068 1.534 25104 12255 1 14 . 1 1 81 81 GLU CB C 81 29.927 29.927 29.736 0.191 25104 12256 1 14 . 1 1 81 81 GLU H H 81 8.884 8.884 8.515 0.369 25104 12257 1 14 . 1 1 82 82 LYS N N 82 112.369 112.369 111.782 0.587 25104 12258 1 14 . 1 1 82 82 LYS HA H 82 5.577 5.577 4.426 1.151 25104 12259 1 14 . 1 1 82 82 LYS C C 82 176.495 176.495 174.637 1.858 25104 12260 1 14 . 1 1 82 82 LYS CA C 82 53.906 53.906 55.743 -1.837 25104 12261 1 14 . 1 1 82 82 LYS CB C 82 36.614 36.614 34.530 2.084 25104 12262 1 14 . 1 1 82 82 LYS H H 82 7.845 7.845 7.475 0.370 25104 12263 1 14 . 1 1 83 83 PHE N N 83 116.638 116.638 114.449 2.189 25104 12264 1 14 . 1 1 83 83 PHE HA H 83 5.000 5.000 5.094 -0.094 25104 12265 1 14 . 1 1 83 83 PHE C C 83 174.501 174.501 172.980 1.521 25104 12266 1 14 . 1 1 83 83 PHE CA C 83 56.032 56.032 56.278 -0.246 25104 12267 1 14 . 1 1 83 83 PHE CB C 83 41.258 41.258 41.950 -0.692 25104 12268 1 14 . 1 1 83 83 PHE H H 83 9.184 9.184 8.699 0.485 25104 12269 1 14 . 1 1 84 84 GLU N N 84 119.642 119.642 118.252 1.390 25104 12270 1 14 . 1 1 84 84 GLU HA H 84 3.862 3.862 4.400 -0.538 25104 12271 1 14 . 1 1 84 84 GLU C C 84 177.248 177.248 175.309 1.939 25104 12272 1 14 . 1 1 84 84 GLU CA C 84 56.452 56.452 54.840 1.612 25104 12273 1 14 . 1 1 84 84 GLU CB C 84 29.329 29.329 30.997 -1.668 25104 12274 1 14 . 1 1 84 84 GLU H H 84 9.294 9.294 8.375 0.919 25104 12275 1 14 . 1 1 85 85 ASP N N 85 118.870 118.870 121.244 -2.374 25104 12276 1 14 . 1 1 85 85 ASP HA H 85 4.285 4.285 4.582 -0.297 25104 12277 1 14 . 1 1 85 85 ASP C C 85 177.100 177.100 176.587 0.513 25104 12278 1 14 . 1 1 85 85 ASP CA C 85 54.486 54.486 54.956 -0.470 25104 12279 1 14 . 1 1 85 85 ASP CB C 85 40.954 40.954 41.128 -0.174 25104 12280 1 14 . 1 1 85 85 ASP H H 85 8.609 8.609 8.422 0.187 25104 12281 1 14 . 1 1 86 86 GLU N N 86 131.636 131.636 125.881 5.755 25104 12282 1 14 . 1 1 86 86 GLU HA H 86 3.851 3.851 4.062 -0.211 25104 12283 1 14 . 1 1 86 86 GLU C C 86 177.266 177.266 175.804 1.462 25104 12284 1 14 . 1 1 86 86 GLU CA C 86 60.354 60.354 58.847 1.507 25104 12285 1 14 . 1 1 86 86 GLU CB C 86 31.877 31.877 30.277 1.600 25104 12286 1 14 . 1 1 86 86 GLU H H 86 9.474 9.474 8.800 0.674 25104 12287 1 14 . 1 1 87 87 ASN N N 87 106.916 106.916 112.115 -5.199 25104 12288 1 14 . 1 1 87 87 ASN HA H 87 4.187 4.187 4.479 -0.292 25104 12289 1 14 . 1 1 87 87 ASN C C 87 171.751 171.751 173.040 -1.289 25104 12290 1 14 . 1 1 87 87 ASN CA C 87 52.828 52.828 51.835 0.993 25104 12291 1 14 . 1 1 87 87 ASN CB C 87 39.490 39.490 39.534 -0.044 25104 12292 1 14 . 1 1 87 87 ASN H H 87 7.084 7.084 7.596 -0.512 25104 12293 1 14 . 1 1 88 88 PHE N N 88 113.116 113.116 115.176 -2.060 25104 12294 1 14 . 1 1 88 88 PHE HA H 88 5.964 5.964 4.933 1.031 25104 12295 1 14 . 1 1 88 88 PHE C C 88 178.688 178.688 175.368 3.320 25104 12296 1 14 . 1 1 88 88 PHE CA C 88 55.847 55.847 56.529 -0.682 25104 12297 1 14 . 1 1 88 88 PHE CB C 88 38.876 38.876 39.288 -0.412 25104 12298 1 14 . 1 1 88 88 PHE H H 88 8.356 8.356 8.367 -0.011 25104 12299 1 14 . 1 1 89 89 ILE N N 89 119.794 119.794 119.568 0.226 25104 12300 1 14 . 1 1 89 89 ILE HA H 89 3.726 3.726 3.933 -0.207 25104 12301 1 14 . 1 1 89 89 ILE C C 89 178.596 178.596 176.107 2.489 25104 12302 1 14 . 1 1 89 89 ILE CA C 89 64.996 64.996 63.750 1.246 25104 12303 1 14 . 1 1 89 89 ILE CB C 89 39.000 39.000 38.380 0.620 25104 12304 1 14 . 1 1 89 89 ILE H H 89 8.314 8.314 7.528 0.786 25104 12305 1 14 . 1 1 90 90 LEU N N 90 117.361 117.361 119.379 -2.018 25104 12306 1 14 . 1 1 90 90 LEU HA H 90 4.516 4.516 4.194 0.322 25104 12307 1 14 . 1 1 90 90 LEU C C 90 177.345 177.345 175.570 1.775 25104 12308 1 14 . 1 1 90 90 LEU CA C 90 54.196 54.196 54.265 -0.069 25104 12309 1 14 . 1 1 90 90 LEU CB C 90 42.100 42.100 41.934 0.166 25104 12310 1 14 . 1 1 90 90 LEU H H 90 7.777 7.777 7.948 -0.171 25104 12311 1 14 . 1 1 91 91 LYS N N 91 119.096 119.096 119.965 -0.869 25104 12312 1 14 . 1 1 91 91 LYS HA H 91 4.635 4.635 4.564 0.071 25104 12313 1 14 . 1 1 91 91 LYS C C 91 177.296 177.296 176.452 0.844 25104 12314 1 14 . 1 1 91 91 LYS CA C 91 54.689 54.689 55.168 -0.479 25104 12315 1 14 . 1 1 91 91 LYS CB C 91 34.841 34.841 36.023 -1.182 25104 12316 1 14 . 1 1 91 91 LYS H H 91 8.086 8.086 8.280 -0.194 25104 12317 1 14 . 1 1 92 92 HIS N N 92 122.578 122.578 120.529 2.049 25104 12318 1 14 . 1 1 92 92 HIS HA H 92 4.408 4.408 4.677 -0.269 25104 12319 1 14 . 1 1 92 92 HIS C C 92 178.794 178.794 175.297 3.497 25104 12320 1 14 . 1 1 92 92 HIS CA C 92 56.886 56.886 55.405 1.481 25104 12321 1 14 . 1 1 92 92 HIS CB C 92 26.041 26.041 27.515 -1.474 25104 12322 1 14 . 1 1 92 92 HIS H H 92 10.736 10.736 8.806 1.930 25104 12323 1 14 . 1 1 93 93 THR N N 93 110.479 110.479 110.185 0.294 25104 12324 1 14 . 1 1 93 93 THR HA H 93 4.056 4.056 4.300 -0.244 25104 12325 1 14 . 1 1 93 93 THR C C 93 176.456 176.456 174.747 1.709 25104 12326 1 14 . 1 1 93 93 THR CA C 93 63.324 63.324 62.458 0.866 25104 12327 1 14 . 1 1 93 93 THR CB C 93 69.416 69.416 69.603 -0.187 25104 12328 1 14 . 1 1 93 93 THR H H 93 7.315 7.315 7.515 -0.200 25104 12329 1 14 . 1 1 94 94 GLY N N 94 107.272 107.272 109.405 -2.133 25104 12330 1 14 . 1 1 94 94 GLY C C 94 178.117 178.117 171.734 6.383 25104 12331 1 14 . 1 1 94 94 GLY H H 94 7.530 7.530 7.532 -0.002 25104 12332 1 14 . 1 1 95 95 PRO HA H 95 3.856 3.856 4.411 -0.555 25104 12333 1 14 . 1 1 95 95 PRO CA C 95 62.687 62.687 62.661 0.026 25104 12334 1 14 . 1 1 95 95 PRO CB C 95 32.137 32.137 32.925 -0.788 25104 12335 1 14 . 1 1 96 96 GLY N N 96 110.210 110.210 109.241 0.969 25104 12336 1 14 . 1 1 96 96 GLY C C 96 174.025 174.025 174.798 -0.773 25104 12337 1 14 . 1 1 96 96 GLY CA C 96 45.068 45.068 45.625 -0.557 25104 12338 1 14 . 1 1 96 96 GLY H H 96 9.305 9.305 8.419 0.886 25104 12339 1 14 . 1 1 97 97 ILE N N 97 121.517 121.517 122.235 -0.718 25104 12340 1 14 . 1 1 97 97 ILE HA H 97 4.173 4.173 4.002 0.171 25104 12341 1 14 . 1 1 97 97 ILE C C 97 174.196 174.196 175.016 -0.820 25104 12342 1 14 . 1 1 97 97 ILE CA C 97 59.398 59.398 60.047 -0.649 25104 12343 1 14 . 1 1 97 97 ILE CB C 97 37.922 37.922 35.923 1.999 25104 12344 1 14 . 1 1 97 97 ILE H H 97 6.826 6.826 7.796 -0.970 25104 12345 1 14 . 1 1 98 98 LEU N N 98 128.948 128.948 131.874 -2.926 25104 12346 1 14 . 1 1 98 98 LEU HA H 98 5.010 5.010 4.629 0.381 25104 12347 1 14 . 1 1 98 98 LEU C C 98 175.316 175.316 175.680 -0.364 25104 12348 1 14 . 1 1 98 98 LEU CA C 98 53.350 53.350 54.344 -0.994 25104 12349 1 14 . 1 1 98 98 LEU CB C 98 43.813 43.813 41.478 2.335 25104 12350 1 14 . 1 1 98 98 LEU H H 98 7.907 7.907 8.153 -0.246 25104 12351 1 14 . 1 1 99 99 SER N N 99 118.834 118.834 117.328 1.506 25104 12352 1 14 . 1 1 99 99 SER HA H 99 5.346 5.346 4.861 0.485 25104 12353 1 14 . 1 1 99 99 SER C C 99 175.732 175.732 173.154 2.578 25104 12354 1 14 . 1 1 99 99 SER CA C 99 55.011 55.011 56.185 -1.174 25104 12355 1 14 . 1 1 99 99 SER CB C 99 65.370 65.370 65.987 -0.617 25104 12356 1 14 . 1 1 99 99 SER H H 99 8.307 8.307 8.401 -0.094 25104 12357 1 14 . 1 1 100 100 MET N N 100 123.079 123.079 121.660 1.419 25104 12358 1 14 . 1 1 100 100 MET HA H 100 5.338 5.338 4.698 0.640 25104 12359 1 14 . 1 1 100 100 MET C C 100 178.920 178.920 176.144 2.776 25104 12360 1 14 . 1 1 100 100 MET CA C 100 53.853 53.853 56.035 -2.182 25104 12361 1 14 . 1 1 100 100 MET H H 100 8.563 8.563 9.248 -0.685 25104 12362 1 14 . 1 1 101 101 ALA N N 101 126.225 126.225 125.703 0.522 25104 12363 1 14 . 1 1 101 101 ALA HA H 101 4.362 4.362 4.775 -0.413 25104 12364 1 14 . 1 1 101 101 ALA C C 101 176.471 176.471 175.823 0.648 25104 12365 1 14 . 1 1 101 101 ALA CA C 101 51.743 51.743 52.591 -0.848 25104 12366 1 14 . 1 1 101 101 ALA CB C 101 19.619 19.619 20.278 -0.659 25104 12367 1 14 . 1 1 101 101 ALA H H 101 8.114 8.114 8.153 -0.039 25104 12368 1 14 . 1 1 102 102 ASN N N 102 113.398 113.398 116.703 -3.305 25104 12369 1 14 . 1 1 102 102 ASN HA H 102 4.647 4.647 4.807 -0.160 25104 12370 1 14 . 1 1 102 102 ASN C C 102 174.740 174.740 173.554 1.186 25104 12371 1 14 . 1 1 102 102 ASN CA C 102 54.102 54.102 52.496 1.605 25104 12372 1 14 . 1 1 102 102 ASN CB C 102 40.597 40.597 40.304 0.293 25104 12373 1 14 . 1 1 102 102 ASN H H 102 8.062 8.062 8.192 -0.130 25104 12374 1 14 . 1 1 103 103 ALA N N 103 123.487 123.487 121.944 1.543 25104 12375 1 14 . 1 1 103 103 ALA HA H 103 4.868 4.868 4.570 0.298 25104 12376 1 14 . 1 1 103 103 ALA C C 103 177.823 177.823 176.325 1.498 25104 12377 1 14 . 1 1 103 103 ALA CA C 103 50.380 50.380 52.586 -2.205 25104 12378 1 14 . 1 1 103 103 ALA CB C 103 19.295 19.295 19.350 -0.055 25104 12379 1 14 . 1 1 103 103 ALA H H 103 8.822 8.822 8.566 0.256 25104 12380 1 14 . 1 1 104 104 GLY N N 104 109.271 109.271 107.403 1.868 25104 12381 1 14 . 1 1 104 104 GLY CA C 104 43.559 43.559 44.890 -1.331 25104 12382 1 14 . 1 1 104 104 GLY H H 104 8.181 8.181 7.661 0.520 25104 12383 1 14 . 1 1 105 105 PRO HA H 105 4.385 4.385 4.667 -0.282 25104 12384 1 14 . 1 1 105 105 PRO C C 105 177.209 177.209 177.045 0.164 25104 12385 1 14 . 1 1 105 105 PRO CA C 105 63.976 63.976 63.139 0.837 25104 12386 1 14 . 1 1 105 105 PRO CB C 105 32.136 32.136 31.999 0.137 25104 12387 1 14 . 1 1 106 106 ASN N N 106 119.146 119.146 118.169 0.977 25104 12388 1 14 . 1 1 106 106 ASN HA H 106 4.052 4.052 4.389 -0.337 25104 12389 1 14 . 1 1 106 106 ASN C C 106 175.857 175.857 175.635 0.222 25104 12390 1 14 . 1 1 106 106 ASN CA C 106 54.279 54.279 54.870 -0.591 25104 12391 1 14 . 1 1 106 106 ASN CB C 106 37.248 37.248 38.117 -0.869 25104 12392 1 14 . 1 1 106 106 ASN H H 106 8.912 8.912 9.019 -0.107 25104 12393 1 14 . 1 1 107 107 THR N N 107 110.101 110.101 112.291 -2.190 25104 12394 1 14 . 1 1 107 107 THR HA H 107 4.493 4.493 4.327 0.166 25104 12395 1 14 . 1 1 107 107 THR C C 107 174.713 174.713 173.498 1.215 25104 12396 1 14 . 1 1 107 107 THR CA C 107 60.294 60.294 62.792 -2.498 25104 12397 1 14 . 1 1 107 107 THR CB C 107 69.030 69.030 69.382 -0.352 25104 12398 1 14 . 1 1 107 107 THR H H 107 10.191 10.191 7.596 2.595 25104 12399 1 14 . 1 1 108 108 ASN N N 108 120.592 120.592 119.042 1.550 25104 12400 1 14 . 1 1 108 108 ASN HA H 108 4.210 4.210 4.468 -0.258 25104 12401 1 14 . 1 1 108 108 ASN C C 108 175.078 175.078 175.751 -0.673 25104 12402 1 14 . 1 1 108 108 ASN CA C 108 55.287 55.287 53.790 1.497 25104 12403 1 14 . 1 1 108 108 ASN CB C 108 39.036 39.036 39.036 0.000 25104 12404 1 14 . 1 1 108 108 ASN H H 108 7.410 7.410 7.286 0.124 25104 12405 1 14 . 1 1 109 109 GLY N N 109 110.835 110.835 108.097 2.738 25104 12406 1 14 . 1 1 109 109 GLY C C 109 172.087 172.087 173.820 -1.733 25104 12407 1 14 . 1 1 109 109 GLY CA C 109 45.940 45.940 45.277 0.663 25104 12408 1 14 . 1 1 109 109 GLY H H 109 9.192 9.192 8.295 0.897 25104 12409 1 14 . 1 1 110 110 SER N N 110 117.149 117.149 117.888 -0.739 25104 12410 1 14 . 1 1 110 110 SER HA H 110 4.751 4.751 4.768 -0.017 25104 12411 1 14 . 1 1 110 110 SER C C 110 177.075 177.075 174.251 2.824 25104 12412 1 14 . 1 1 110 110 SER CA C 110 57.526 57.526 56.839 0.687 25104 12413 1 14 . 1 1 110 110 SER CB C 110 66.180 66.180 64.487 1.693 25104 12414 1 14 . 1 1 110 110 SER H H 110 8.793 8.793 7.308 1.485 25104 12415 1 14 . 1 1 111 111 GLN N N 111 124.594 124.594 119.979 4.615 25104 12416 1 14 . 1 1 111 111 GLN HA H 111 4.225 4.225 3.897 0.328 25104 12417 1 14 . 1 1 111 111 GLN C C 111 179.174 179.174 175.001 4.173 25104 12418 1 14 . 1 1 111 111 GLN CA C 111 58.144 58.144 57.583 0.562 25104 12419 1 14 . 1 1 111 111 GLN CB C 111 31.558 31.558 28.558 3.000 25104 12420 1 14 . 1 1 111 111 GLN H H 111 8.438 8.438 8.731 -0.293 25104 12421 1 14 . 1 1 112 112 PHE N N 112 118.008 118.008 113.782 4.226 25104 12422 1 14 . 1 1 112 112 PHE HA H 112 5.806 5.806 5.220 0.586 25104 12423 1 14 . 1 1 112 112 PHE C C 112 172.840 172.840 173.261 -0.421 25104 12424 1 14 . 1 1 112 112 PHE CA C 112 55.584 55.584 55.903 -0.319 25104 12425 1 14 . 1 1 112 112 PHE CB C 112 43.323 43.323 41.938 1.385 25104 12426 1 14 . 1 1 112 112 PHE H H 112 8.120 8.120 8.223 -0.103 25104 12427 1 14 . 1 1 113 113 PHE N N 113 116.406 116.406 118.041 -1.635 25104 12428 1 14 . 1 1 113 113 PHE HA H 113 5.739 5.739 4.991 0.748 25104 12429 1 14 . 1 1 113 113 PHE C C 113 175.349 175.349 173.942 1.407 25104 12430 1 14 . 1 1 113 113 PHE CA C 113 54.684 54.684 55.142 -0.458 25104 12431 1 14 . 1 1 113 113 PHE CB C 113 42.825 42.825 41.184 1.641 25104 12432 1 14 . 1 1 113 113 PHE H H 113 9.832 9.832 8.689 1.143 25104 12433 1 14 . 1 1 114 114 ILE N N 114 118.683 118.683 122.840 -4.157 25104 12434 1 14 . 1 1 114 114 ILE HA H 114 4.842 4.842 4.515 0.327 25104 12435 1 14 . 1 1 114 114 ILE C C 114 178.414 178.414 175.915 2.499 25104 12436 1 14 . 1 1 114 114 ILE CA C 114 60.265 60.265 60.103 0.161 25104 12437 1 14 . 1 1 114 114 ILE CB C 114 40.466 40.466 38.093 2.373 25104 12438 1 14 . 1 1 114 114 ILE H H 114 9.156 9.156 8.727 0.429 25104 12439 1 14 . 1 1 115 115 CYS N N 115 125.524 125.524 128.917 -3.393 25104 12440 1 14 . 1 1 115 115 CYS HA H 115 4.808 4.808 4.358 0.450 25104 12441 1 14 . 1 1 115 115 CYS C C 115 177.658 177.658 176.509 1.149 25104 12442 1 14 . 1 1 115 115 CYS CA C 115 60.803 60.803 58.639 2.164 25104 12443 1 14 . 1 1 115 115 CYS CB C 115 28.723 28.723 25.806 2.917 25104 12444 1 14 . 1 1 115 115 CYS H H 115 9.616 9.616 8.859 0.757 25104 12445 1 14 . 1 1 116 116 THR N N 116 115.801 115.801 118.316 -2.515 25104 12446 1 14 . 1 1 116 116 THR HA H 116 4.380 4.380 4.117 0.263 25104 12447 1 14 . 1 1 116 116 THR C C 116 178.496 178.496 174.542 3.954 25104 12448 1 14 . 1 1 116 116 THR CA C 116 60.844 60.844 64.207 -3.363 25104 12449 1 14 . 1 1 116 116 THR CB C 116 66.730 66.730 68.989 -2.259 25104 12450 1 14 . 1 1 116 116 THR H H 116 8.990 8.990 8.417 0.573 25104 12451 1 14 . 1 1 117 117 ALA N N 117 122.356 122.356 124.066 -1.710 25104 12452 1 14 . 1 1 117 117 ALA HA H 117 4.420 4.420 4.638 -0.218 25104 12453 1 14 . 1 1 117 117 ALA C C 117 176.114 176.114 175.354 0.760 25104 12454 1 14 . 1 1 117 117 ALA CA C 117 50.668 50.668 50.472 0.196 25104 12455 1 14 . 1 1 117 117 ALA CB C 117 22.795 22.795 21.090 1.705 25104 12456 1 14 . 1 1 117 117 ALA H H 117 7.641 7.641 7.359 0.282 25104 12457 1 14 . 1 1 118 118 LYS N N 118 119.855 119.855 119.485 0.370 25104 12458 1 14 . 1 1 118 118 LYS HA H 118 3.840 3.840 4.319 -0.479 25104 12459 1 14 . 1 1 118 118 LYS C C 118 177.211 177.211 176.419 0.792 25104 12460 1 14 . 1 1 118 118 LYS CA C 118 57.913 57.913 55.995 1.918 25104 12461 1 14 . 1 1 118 118 LYS CB C 118 32.708 32.708 30.741 1.967 25104 12462 1 14 . 1 1 118 118 LYS H H 118 8.693 8.693 8.456 0.237 25104 12463 1 14 . 1 1 119 119 THR N N 119 119.004 119.004 116.975 2.029 25104 12464 1 14 . 1 1 119 119 THR HA H 119 3.730 3.730 3.431 0.299 25104 12465 1 14 . 1 1 119 119 THR C C 119 177.928 177.928 174.896 3.032 25104 12466 1 14 . 1 1 119 119 THR CA C 119 57.301 57.301 61.017 -3.716 25104 12467 1 14 . 1 1 119 119 THR CB C 119 68.717 68.717 67.867 0.850 25104 12468 1 14 . 1 1 119 119 THR H H 119 7.373 7.373 8.085 -0.712 25104 12469 1 14 . 1 1 120 120 GLU N N 120 124.713 124.713 124.123 0.590 25104 12470 1 14 . 1 1 120 120 GLU HA H 120 4.162 4.162 4.309 -0.147 25104 12471 1 14 . 1 1 120 120 GLU C C 120 178.190 178.190 177.676 0.514 25104 12472 1 14 . 1 1 120 120 GLU CA C 120 59.334 59.334 58.225 1.109 25104 12473 1 14 . 1 1 120 120 GLU CB C 120 29.322 29.322 29.085 0.237 25104 12474 1 14 . 1 1 120 120 GLU H H 120 9.139 9.139 7.832 1.307 25104 12475 1 14 . 1 1 121 121 TRP N N 121 117.782 117.782 115.923 1.859 25104 12476 1 14 . 1 1 121 121 TRP HA H 121 4.716 4.716 4.607 0.109 25104 12477 1 14 . 1 1 121 121 TRP C C 121 177.244 177.244 175.559 1.685 25104 12478 1 14 . 1 1 121 121 TRP CA C 121 59.748 59.748 56.605 3.143 25104 12479 1 14 . 1 1 121 121 TRP CB C 121 26.947 26.947 28.513 -1.566 25104 12480 1 14 . 1 1 121 121 TRP H H 121 7.297 7.297 7.778 -0.481 25104 12481 1 14 . 1 1 122 122 LEU N N 122 119.806 119.806 118.880 0.926 25104 12482 1 14 . 1 1 122 122 LEU HA H 122 4.315 4.315 4.224 0.091 25104 12483 1 14 . 1 1 122 122 LEU C C 122 173.304 173.304 175.908 -2.604 25104 12484 1 14 . 1 1 122 122 LEU CA C 122 54.543 54.543 53.919 0.624 25104 12485 1 14 . 1 1 122 122 LEU CB C 122 39.075 39.075 41.177 -2.102 25104 12486 1 14 . 1 1 122 122 LEU H H 122 7.037 7.037 6.899 0.138 25104 12487 1 14 . 1 1 123 123 ASP N N 123 122.205 122.205 120.770 1.435 25104 12488 1 14 . 1 1 123 123 ASP HA H 123 5.222 5.222 4.786 0.436 25104 12489 1 14 . 1 1 123 123 ASP C C 123 179.276 179.276 177.202 2.074 25104 12490 1 14 . 1 1 123 123 ASP CA C 123 55.889 55.889 55.018 0.871 25104 12491 1 14 . 1 1 123 123 ASP CB C 123 39.517 39.517 41.017 -1.500 25104 12492 1 14 . 1 1 123 123 ASP H H 123 7.643 7.643 7.326 0.317 25104 12493 1 14 . 1 1 124 124 GLY N N 124 111.205 111.205 111.477 -0.272 25104 12494 1 14 . 1 1 124 124 GLY C C 124 173.148 173.148 173.973 -0.825 25104 12495 1 14 . 1 1 124 124 GLY CA C 124 45.114 45.114 45.009 0.105 25104 12496 1 14 . 1 1 124 124 GLY H H 124 9.550 9.550 8.624 0.926 25104 12497 1 14 . 1 1 125 125 LYS N N 125 115.408 115.408 120.367 -4.959 25104 12498 1 14 . 1 1 125 125 LYS HA H 125 4.173 4.173 4.611 -0.438 25104 12499 1 14 . 1 1 125 125 LYS C C 125 176.351 176.351 175.951 0.400 25104 12500 1 14 . 1 1 125 125 LYS CA C 125 56.341 56.341 54.833 1.508 25104 12501 1 14 . 1 1 125 125 LYS CB C 125 35.504 35.504 34.627 0.878 25104 12502 1 14 . 1 1 125 125 LYS H H 125 7.765 7.765 7.562 0.203 25104 12503 1 14 . 1 1 126 126 HIS N N 126 119.526 119.526 116.945 2.581 25104 12504 1 14 . 1 1 126 126 HIS HA H 126 4.863 4.863 4.798 0.065 25104 12505 1 14 . 1 1 126 126 HIS C C 126 174.784 174.784 175.421 -0.637 25104 12506 1 14 . 1 1 126 126 HIS CA C 126 54.923 54.923 56.214 -1.291 25104 12507 1 14 . 1 1 126 126 HIS CB C 126 31.675 31.675 30.504 1.171 25104 12508 1 14 . 1 1 126 126 HIS H H 126 7.600 7.600 8.447 -0.847 25104 12509 1 14 . 1 1 127 127 VAL N N 127 125.009 125.009 121.043 3.966 25104 12510 1 14 . 1 1 127 127 VAL HA H 127 4.307 4.307 4.113 0.194 25104 12511 1 14 . 1 1 127 127 VAL C C 127 176.442 176.442 175.729 0.713 25104 12512 1 14 . 1 1 127 127 VAL CA C 127 63.893 63.893 62.356 1.537 25104 12513 1 14 . 1 1 127 127 VAL CB C 127 33.553 33.553 32.896 0.657 25104 12514 1 14 . 1 1 127 127 VAL H H 127 8.523 8.523 8.151 0.372 25104 12515 1 14 . 1 1 128 128 VAL N N 128 133.065 133.065 123.755 9.310 25104 12516 1 14 . 1 1 128 128 VAL HA H 128 4.176 4.176 3.785 0.391 25104 12517 1 14 . 1 1 128 128 VAL C C 128 176.113 176.113 175.785 0.328 25104 12518 1 14 . 1 1 128 128 VAL CA C 128 63.172 63.172 62.609 0.563 25104 12519 1 14 . 1 1 128 128 VAL CB C 128 31.612 31.612 31.783 -0.171 25104 12520 1 14 . 1 1 128 128 VAL H H 128 9.474 9.474 7.582 1.892 25104 12521 1 14 . 1 1 129 129 PHE N N 129 117.892 117.892 118.078 -0.186 25104 12522 1 14 . 1 1 129 129 PHE HA H 129 5.308 5.308 4.831 0.477 25104 12523 1 14 . 1 1 129 129 PHE C C 129 173.725 173.725 174.241 -0.516 25104 12524 1 14 . 1 1 129 129 PHE CA C 129 55.969 55.969 57.051 -1.082 25104 12525 1 14 . 1 1 129 129 PHE CB C 129 42.581 42.581 41.203 1.378 25104 12526 1 14 . 1 1 129 129 PHE H H 129 8.138 8.138 8.350 -0.212 25104 12527 1 14 . 1 1 130 130 GLY N N 130 110.747 110.747 105.916 4.831 25104 12528 1 14 . 1 1 130 130 GLY C C 130 171.591 171.591 171.640 -0.049 25104 12529 1 14 . 1 1 130 130 GLY CA C 130 46.505 46.505 45.078 1.427 25104 12530 1 14 . 1 1 130 130 GLY H H 130 7.356 7.356 7.189 0.167 25104 12531 1 14 . 1 1 131 131 LYS N N 131 115.453 115.453 119.168 -3.715 25104 12532 1 14 . 1 1 131 131 LYS HA H 131 5.246 5.246 5.118 0.128 25104 12533 1 14 . 1 1 131 131 LYS C C 131 176.109 176.109 175.210 0.899 25104 12534 1 14 . 1 1 131 131 LYS CA C 131 54.887 54.887 55.050 -0.163 25104 12535 1 14 . 1 1 131 131 LYS CB C 131 36.077 36.077 37.417 -1.340 25104 12536 1 14 . 1 1 131 131 LYS H H 131 8.390 8.390 8.226 0.164 25104 12537 1 14 . 1 1 132 132 VAL N N 132 124.311 124.311 125.018 -0.707 25104 12538 1 14 . 1 1 132 132 VAL HA H 132 3.955 3.955 4.133 -0.178 25104 12539 1 14 . 1 1 132 132 VAL C C 132 176.489 176.489 176.354 0.135 25104 12540 1 14 . 1 1 132 132 VAL CA C 132 64.284 64.284 64.126 0.158 25104 12541 1 14 . 1 1 132 132 VAL CB C 132 32.709 32.709 31.187 1.522 25104 12542 1 14 . 1 1 132 132 VAL H H 132 9.071 9.071 8.485 0.586 25104 12543 1 14 . 1 1 133 133 LYS N N 133 131.670 131.670 127.572 4.098 25104 12544 1 14 . 1 1 133 133 LYS HA H 133 4.483 4.483 4.404 0.079 25104 12545 1 14 . 1 1 133 133 LYS C C 133 176.283 176.283 176.789 -0.506 25104 12546 1 14 . 1 1 133 133 LYS CA C 133 56.978 56.978 57.017 -0.039 25104 12547 1 14 . 1 1 133 133 LYS CB C 133 34.028 34.028 33.700 0.328 25104 12548 1 14 . 1 1 133 133 LYS H H 133 9.494 9.494 8.563 0.931 25104 12549 1 14 . 1 1 134 134 GLU N N 134 118.417 118.417 118.653 -0.236 25104 12550 1 14 . 1 1 134 134 GLU HA H 134 4.639 4.639 4.493 0.146 25104 12551 1 14 . 1 1 134 134 GLU C C 134 175.925 175.925 175.428 0.497 25104 12552 1 14 . 1 1 134 134 GLU CA C 134 55.235 55.235 55.490 -0.255 25104 12553 1 14 . 1 1 134 134 GLU CB C 134 32.909 32.909 32.751 0.158 25104 12554 1 14 . 1 1 134 134 GLU H H 134 7.571 7.571 7.947 -0.376 25104 12555 1 14 . 1 1 135 135 GLY N N 135 108.109 108.109 108.961 -0.852 25104 12556 1 14 . 1 1 135 135 GLY C C 135 178.060 178.060 175.000 3.060 25104 12557 1 14 . 1 1 135 135 GLY CA C 135 46.195 46.195 45.981 0.214 25104 12558 1 14 . 1 1 135 135 GLY H H 135 8.695 8.695 8.567 0.128 25104 12559 1 14 . 1 1 136 136 MET N N 136 122.582 122.582 119.729 2.853 25104 12560 1 14 . 1 1 136 136 MET HA H 136 4.496 4.496 4.116 0.380 25104 12561 1 14 . 1 1 136 136 MET C C 136 178.649 178.649 176.900 1.749 25104 12562 1 14 . 1 1 136 136 MET CA C 136 56.829 56.829 56.681 0.148 25104 12563 1 14 . 1 1 136 136 MET CB C 136 30.215 30.215 32.375 -2.160 25104 12564 1 14 . 1 1 136 136 MET H H 136 8.854 8.854 8.278 0.576 25104 12565 1 14 . 1 1 137 137 ASN N N 137 114.457 114.457 116.902 -2.445 25104 12566 1 14 . 1 1 137 137 ASN HA H 137 4.504 4.504 4.433 0.071 25104 12567 1 14 . 1 1 137 137 ASN C C 137 178.441 178.441 177.427 1.014 25104 12568 1 14 . 1 1 137 137 ASN CA C 137 55.819 55.819 56.511 -0.692 25104 12569 1 14 . 1 1 137 137 ASN CB C 137 36.016 36.016 37.955 -1.939 25104 12570 1 14 . 1 1 137 137 ASN H H 137 8.932 8.932 8.498 0.434 25104 12571 1 14 . 1 1 138 138 ILE N N 138 124.190 124.190 118.834 5.356 25104 12572 1 14 . 1 1 138 138 ILE HA H 138 3.800 3.800 3.924 -0.124 25104 12573 1 14 . 1 1 138 138 ILE C C 138 178.595 178.595 177.842 0.753 25104 12574 1 14 . 1 1 138 138 ILE CA C 138 61.581 61.581 63.224 -1.643 25104 12575 1 14 . 1 1 138 138 ILE CB C 138 34.468 34.468 36.783 -2.315 25104 12576 1 14 . 1 1 138 138 ILE H H 138 7.686 7.686 7.898 -0.212 25104 12577 1 14 . 1 1 139 139 VAL N N 139 121.912 121.912 120.985 0.927 25104 12578 1 14 . 1 1 139 139 VAL HA H 139 3.879 3.879 3.702 0.177 25104 12579 1 14 . 1 1 139 139 VAL C C 139 179.051 179.051 178.599 0.452 25104 12580 1 14 . 1 1 139 139 VAL CA C 139 66.206 66.206 66.685 -0.479 25104 12581 1 14 . 1 1 139 139 VAL CB C 139 31.195 31.195 31.388 -0.193 25104 12582 1 14 . 1 1 139 139 VAL H H 139 7.286 7.286 7.724 -0.438 25104 12583 1 14 . 1 1 140 140 GLU N N 140 117.357 117.357 119.210 -1.853 25104 12584 1 14 . 1 1 140 140 GLU HA H 140 4.095 4.095 4.091 0.004 25104 12585 1 14 . 1 1 140 140 GLU C C 140 180.486 180.486 178.659 1.827 25104 12586 1 14 . 1 1 140 140 GLU CA C 140 59.336 59.336 58.881 0.455 25104 12587 1 14 . 1 1 140 140 GLU CB C 140 30.199 30.199 29.456 0.744 25104 12588 1 14 . 1 1 140 140 GLU H H 140 8.309 8.309 7.986 0.323 25104 12589 1 14 . 1 1 141 141 ALA N N 141 121.133 121.133 122.490 -1.357 25104 12590 1 14 . 1 1 141 141 ALA HA H 141 4.118 4.118 4.064 0.054 25104 12591 1 14 . 1 1 141 141 ALA C C 141 181.524 181.524 179.427 2.097 25104 12592 1 14 . 1 1 141 141 ALA CA C 141 54.771 54.771 55.004 -0.233 25104 12593 1 14 . 1 1 141 141 ALA CB C 141 18.207 18.207 18.515 -0.307 25104 12594 1 14 . 1 1 141 141 ALA H H 141 7.539 7.539 7.782 -0.243 25104 12595 1 14 . 1 1 142 142 MET N N 142 117.513 117.513 115.522 1.991 25104 12596 1 14 . 1 1 142 142 MET HA H 142 3.993 3.993 4.586 -0.593 25104 12597 1 14 . 1 1 142 142 MET C C 142 178.862 178.862 178.606 0.256 25104 12598 1 14 . 1 1 142 142 MET CA C 142 59.678 59.678 58.497 1.181 25104 12599 1 14 . 1 1 142 142 MET CB C 142 33.723 33.723 32.342 1.381 25104 12600 1 14 . 1 1 142 142 MET H H 142 8.284 8.284 8.140 0.144 25104 12601 1 14 . 1 1 143 143 GLU N N 143 116.365 116.365 120.997 -4.632 25104 12602 1 14 . 1 1 143 143 GLU HA H 143 3.772 3.772 4.017 -0.245 25104 12603 1 14 . 1 1 143 143 GLU C C 143 179.051 179.051 178.709 0.342 25104 12604 1 14 . 1 1 143 143 GLU CA C 143 59.345 59.345 59.653 -0.308 25104 12605 1 14 . 1 1 143 143 GLU CB C 143 30.470 30.470 29.458 1.012 25104 12606 1 14 . 1 1 143 143 GLU H H 143 7.853 7.853 8.053 -0.200 25104 12607 1 14 . 1 1 144 144 ARG N N 144 114.753 114.753 116.726 -1.973 25104 12608 1 14 . 1 1 144 144 ARG HA H 144 3.978 3.978 4.051 -0.073 25104 12609 1 14 . 1 1 144 144 ARG C C 144 178.222 178.222 177.639 0.583 25104 12610 1 14 . 1 1 144 144 ARG CA C 144 57.669 57.669 58.103 -0.434 25104 12611 1 14 . 1 1 144 144 ARG CB C 144 29.523 29.523 29.916 -0.393 25104 12612 1 14 . 1 1 144 144 ARG H H 144 7.082 7.082 7.456 -0.374 25104 12613 1 14 . 1 1 145 145 PHE N N 145 115.388 115.388 116.686 -1.298 25104 12614 1 14 . 1 1 145 145 PHE HA H 145 4.851 4.851 4.550 0.301 25104 12615 1 14 . 1 1 145 145 PHE C C 145 176.868 176.868 175.390 1.478 25104 12616 1 14 . 1 1 145 145 PHE CA C 145 57.717 57.717 58.123 -0.406 25104 12617 1 14 . 1 1 145 145 PHE CB C 145 38.998 38.998 38.875 0.123 25104 12618 1 14 . 1 1 145 145 PHE H H 145 7.651 7.651 7.306 0.345 25104 12619 1 14 . 1 1 146 146 GLY N N 146 104.842 104.842 106.535 -1.693 25104 12620 1 14 . 1 1 146 146 GLY C C 146 172.946 172.946 173.675 -0.729 25104 12621 1 14 . 1 1 146 146 GLY CA C 146 44.065 44.065 44.098 -0.033 25104 12622 1 14 . 1 1 146 146 GLY H H 146 7.551 7.551 7.504 0.047 25104 12623 1 14 . 1 1 147 147 SER N N 147 110.079 110.079 113.494 -3.415 25104 12624 1 14 . 1 1 147 147 SER HA H 147 4.813 4.813 4.824 -0.011 25104 12625 1 14 . 1 1 147 147 SER C C 147 176.384 176.384 175.407 0.977 25104 12626 1 14 . 1 1 147 147 SER CA C 147 58.165 58.165 57.025 1.141 25104 12627 1 14 . 1 1 147 147 SER CB C 147 65.804 65.804 66.599 -0.795 25104 12628 1 14 . 1 1 147 147 SER H H 147 8.229 8.229 8.060 0.169 25104 12629 1 14 . 1 1 148 148 ARG N N 148 120.299 120.299 121.978 -1.679 25104 12630 1 14 . 1 1 148 148 ARG HA H 148 4.221 4.221 4.106 0.115 25104 12631 1 14 . 1 1 148 148 ARG C C 148 177.709 177.709 176.660 1.049 25104 12632 1 14 . 1 1 148 148 ARG CA C 148 59.810 59.810 58.618 1.192 25104 12633 1 14 . 1 1 148 148 ARG CB C 148 29.896 29.896 29.925 -0.029 25104 12634 1 14 . 1 1 148 148 ARG H H 148 8.850 8.850 8.823 0.027 25104 12635 1 14 . 1 1 149 149 ASN N N 149 111.689 111.689 113.719 -2.030 25104 12636 1 14 . 1 1 149 149 ASN HA H 149 4.901 4.901 4.654 0.247 25104 12637 1 14 . 1 1 149 149 ASN C C 149 177.708 177.708 176.196 1.512 25104 12638 1 14 . 1 1 149 149 ASN CA C 149 52.305 52.305 53.047 -0.743 25104 12639 1 14 . 1 1 149 149 ASN CB C 149 38.477 38.477 37.992 0.485 25104 12640 1 14 . 1 1 149 149 ASN H H 149 7.891 7.891 8.079 -0.188 25104 12641 1 14 . 1 1 150 150 GLY N N 150 110.138 110.138 107.979 2.159 25104 12642 1 14 . 1 1 150 150 GLY C C 150 174.368 174.368 173.164 1.204 25104 12643 1 14 . 1 1 150 150 GLY CA C 150 45.257 45.257 44.868 0.389 25104 12644 1 14 . 1 1 150 150 GLY H H 150 8.087 8.087 8.152 -0.065 25104 12645 1 14 . 1 1 151 151 LYS N N 151 119.859 119.859 122.965 -3.106 25104 12646 1 14 . 1 1 151 151 LYS HA H 151 4.466 4.466 4.666 -0.200 25104 12647 1 14 . 1 1 151 151 LYS C C 151 179.533 179.533 175.648 3.885 25104 12648 1 14 . 1 1 151 151 LYS CA C 151 57.088 57.088 55.379 1.710 25104 12649 1 14 . 1 1 151 151 LYS CB C 151 32.435 32.435 33.784 -1.349 25104 12650 1 14 . 1 1 151 151 LYS H H 151 7.534 7.534 7.823 -0.289 25104 12651 1 14 . 1 1 152 152 THR N N 152 116.442 116.442 124.701 -8.259 25104 12652 1 14 . 1 1 152 152 THR HA H 152 5.579 5.579 4.536 1.043 25104 12653 1 14 . 1 1 152 152 THR C C 152 176.969 176.969 174.536 2.433 25104 12654 1 14 . 1 1 152 152 THR CA C 152 60.097 60.097 62.773 -2.676 25104 12655 1 14 . 1 1 152 152 THR CB C 152 71.324 71.324 69.217 2.107 25104 12656 1 14 . 1 1 152 152 THR H H 152 8.837 8.837 8.139 0.698 25104 12657 1 14 . 1 1 153 153 SER N N 153 117.113 117.113 122.676 -5.563 25104 12658 1 14 . 1 1 153 153 SER HA H 153 4.574 4.574 4.234 0.340 25104 12659 1 14 . 1 1 153 153 SER C C 153 175.737 175.737 174.816 0.921 25104 12660 1 14 . 1 1 153 153 SER CA C 153 58.222 58.222 61.202 -2.980 25104 12661 1 14 . 1 1 153 153 SER CB C 153 63.922 63.922 63.474 0.448 25104 12662 1 14 . 1 1 153 153 SER H H 153 9.424 9.424 8.761 0.663 25104 12663 1 14 . 1 1 154 154 LYS N N 154 119.347 119.347 118.958 0.389 25104 12664 1 14 . 1 1 154 154 LYS HA H 154 4.594 4.594 4.350 0.244 25104 12665 1 14 . 1 1 154 154 LYS C C 154 175.436 175.436 175.893 -0.457 25104 12666 1 14 . 1 1 154 154 LYS CA C 154 54.578 54.578 53.704 0.874 25104 12667 1 14 . 1 1 154 154 LYS CB C 154 38.443 38.443 33.773 4.670 25104 12668 1 14 . 1 1 154 154 LYS H H 154 7.566 7.566 7.459 0.107 25104 12669 1 14 . 1 1 155 155 LYS N N 155 121.869 121.869 123.458 -1.589 25104 12670 1 14 . 1 1 155 155 LYS HA H 155 4.348 4.348 4.433 -0.085 25104 12671 1 14 . 1 1 155 155 LYS C C 155 176.946 176.946 175.485 1.461 25104 12672 1 14 . 1 1 155 155 LYS CA C 155 56.325 56.325 55.094 1.231 25104 12673 1 14 . 1 1 155 155 LYS CB C 155 32.136 32.136 30.908 1.228 25104 12674 1 14 . 1 1 155 155 LYS H H 155 8.820 8.820 8.635 0.185 25104 12675 1 14 . 1 1 156 156 ILE N N 156 134.145 134.145 128.206 5.939 25104 12676 1 14 . 1 1 156 156 ILE HA H 156 5.134 5.134 5.074 0.060 25104 12677 1 14 . 1 1 156 156 ILE C C 156 177.451 177.451 175.653 1.798 25104 12678 1 14 . 1 1 156 156 ILE CA C 156 59.538 59.538 60.659 -1.121 25104 12679 1 14 . 1 1 156 156 ILE CB C 156 37.167 37.167 38.295 -1.128 25104 12680 1 14 . 1 1 156 156 ILE H H 156 9.609 9.609 8.115 1.494 25104 12681 1 14 . 1 1 157 157 THR N N 157 117.447 117.447 118.730 -1.283 25104 12682 1 14 . 1 1 157 157 THR HA H 157 5.311 5.311 5.236 0.075 25104 12683 1 14 . 1 1 157 157 THR C C 157 174.572 174.572 174.227 0.345 25104 12684 1 14 . 1 1 157 157 THR CA C 157 59.679 59.679 59.065 0.614 25104 12685 1 14 . 1 1 157 157 THR CB C 157 72.708 72.708 71.978 0.730 25104 12686 1 14 . 1 1 157 157 THR H H 157 9.281 9.281 8.961 0.320 25104 12687 1 14 . 1 1 158 158 ILE N N 158 121.950 121.950 122.978 -1.028 25104 12688 1 14 . 1 1 158 158 ILE HA H 158 4.293 4.293 4.447 -0.154 25104 12689 1 14 . 1 1 158 158 ILE C C 158 175.631 175.631 176.842 -1.211 25104 12690 1 14 . 1 1 158 158 ILE CA C 158 60.992 60.992 61.877 -0.885 25104 12691 1 14 . 1 1 158 158 ILE CB C 158 36.826 36.826 36.256 0.570 25104 12692 1 14 . 1 1 158 158 ILE H H 158 8.624 8.624 8.252 0.372 25104 12693 1 14 . 1 1 159 159 ALA N N 159 132.727 132.727 131.064 1.663 25104 12694 1 14 . 1 1 159 159 ALA HA H 159 4.179 4.179 4.088 0.091 25104 12695 1 14 . 1 1 159 159 ALA C C 159 179.489 179.489 177.228 2.261 25104 12696 1 14 . 1 1 159 159 ALA CA C 159 54.243 54.243 54.723 -0.480 25104 12697 1 14 . 1 1 159 159 ALA CB C 159 18.804 18.804 19.306 -0.502 25104 12698 1 14 . 1 1 159 159 ALA H H 159 8.910 8.910 8.600 0.310 25104 12699 1 14 . 1 1 160 160 ASP N N 160 111.561 111.561 111.948 -0.387 25104 12700 1 14 . 1 1 160 160 ASP HA H 160 4.937 4.937 4.986 -0.049 25104 12701 1 14 . 1 1 160 160 ASP C C 160 173.920 173.920 174.316 -0.396 25104 12702 1 14 . 1 1 160 160 ASP CA C 160 52.873 52.873 53.598 -0.725 25104 12703 1 14 . 1 1 160 160 ASP CB C 160 43.620 43.620 43.273 0.347 25104 12704 1 14 . 1 1 160 160 ASP H H 160 8.107 8.107 7.731 0.376 25104 12705 1 14 . 1 1 161 161 CYS N N 161 116.145 116.145 117.616 -1.471 25104 12706 1 14 . 1 1 161 161 CYS HA H 161 4.626 4.626 5.847 -1.221 25104 12707 1 14 . 1 1 161 161 CYS C C 161 173.426 173.426 174.930 -1.504 25104 12708 1 14 . 1 1 161 161 CYS CA C 161 55.518 55.518 57.162 -1.644 25104 12709 1 14 . 1 1 161 161 CYS CB C 161 31.463 31.463 32.315 -0.852 25104 12710 1 14 . 1 1 161 161 CYS H H 161 8.640 8.640 8.720 -0.080 25104 12711 1 14 . 1 1 162 162 GLY N N 162 104.114 104.114 107.931 -3.817 25104 12712 1 14 . 1 1 162 162 GLY C C 162 171.116 171.116 173.419 -2.303 25104 12713 1 14 . 1 1 162 162 GLY CA C 162 45.436 45.436 45.001 0.435 25104 12714 1 14 . 1 1 162 162 GLY H H 162 6.889 6.889 8.349 -1.460 25104 12715 1 14 . 1 1 163 163 GLN N N 163 121.022 121.022 119.635 1.387 25104 12716 1 14 . 1 1 163 163 GLN HA H 163 5.150 5.150 4.208 0.942 25104 12717 1 14 . 1 1 163 163 GLN C C 163 176.548 176.548 174.991 1.557 25104 12718 1 14 . 1 1 163 163 GLN CA C 163 54.794 54.794 56.111 -1.317 25104 12719 1 14 . 1 1 163 163 GLN CB C 163 30.765 30.765 28.933 1.832 25104 12720 1 14 . 1 1 163 163 GLN H H 163 9.062 9.062 8.149 0.913 25104 12721 1 14 . 1 1 164 164 LEU N N 164 126.034 126.034 128.711 -2.677 25104 12722 1 14 . 1 1 164 164 LEU HA H 164 4.641 4.641 4.323 0.318 25104 12723 1 14 . 1 1 164 164 LEU C C 164 177.108 177.108 176.434 0.674 25104 12724 1 14 . 1 1 164 164 LEU CA C 164 55.036 55.036 53.759 1.277 25104 12725 1 14 . 1 1 164 164 LEU CB C 164 43.560 43.560 40.933 2.627 25104 12726 1 14 . 1 1 164 164 LEU H H 164 8.639 8.639 8.251 0.388 25104 12727 1 15 . 1 1 2 2 VAL N N 2 111.261 111.261 124.986 -13.725 25104 12728 1 15 . 1 1 2 2 VAL HA H 2 4.126 4.126 4.068 0.058 25104 12729 1 15 . 1 1 2 2 VAL C C 2 176.404 176.404 174.645 1.759 25104 12730 1 15 . 1 1 2 2 VAL CA C 2 61.417 61.417 62.339 -0.922 25104 12731 1 15 . 1 1 2 2 VAL CB C 2 33.763 33.763 31.875 1.889 25104 12732 1 15 . 1 1 2 2 VAL H H 2 8.447 8.447 8.488 -0.041 25104 12733 1 15 . 1 1 3 3 ASN N N 3 126.056 126.056 127.655 -1.599 25104 12734 1 15 . 1 1 3 3 ASN HA H 3 5.205 5.205 5.138 0.067 25104 12735 1 15 . 1 1 3 3 ASN CA C 3 50.987 50.987 50.957 0.030 25104 12736 1 15 . 1 1 3 3 ASN CB C 3 38.031 38.031 39.296 -1.265 25104 12737 1 15 . 1 1 3 3 ASN H H 3 8.666 8.666 7.998 0.668 25104 12738 1 15 . 1 1 4 4 PRO HA H 4 4.818 4.818 4.457 0.361 25104 12739 1 15 . 1 1 4 4 PRO C C 4 176.242 176.242 176.143 0.099 25104 12740 1 15 . 1 1 4 4 PRO CA C 4 62.832 62.832 62.813 0.019 25104 12741 1 15 . 1 1 4 4 PRO CB C 4 33.162 33.162 32.342 0.820 25104 12742 1 15 . 1 1 5 5 THR N N 5 115.265 115.265 122.791 -7.526 25104 12743 1 15 . 1 1 5 5 THR HA H 5 5.759 5.759 5.122 0.637 25104 12744 1 15 . 1 1 5 5 THR C C 5 176.483 176.483 174.137 2.346 25104 12745 1 15 . 1 1 5 5 THR CA C 5 60.867 60.867 62.212 -1.345 25104 12746 1 15 . 1 1 5 5 THR CB C 5 71.050 71.050 69.705 1.345 25104 12747 1 15 . 1 1 5 5 THR H H 5 8.787 8.787 8.103 0.684 25104 12748 1 15 . 1 1 6 6 VAL N N 6 120.640 120.640 123.675 -3.035 25104 12749 1 15 . 1 1 6 6 VAL HA H 6 5.379 5.379 4.409 0.970 25104 12750 1 15 . 1 1 6 6 VAL C C 6 174.710 174.710 173.746 0.964 25104 12751 1 15 . 1 1 6 6 VAL CA C 6 58.881 58.881 60.730 -1.849 25104 12752 1 15 . 1 1 6 6 VAL CB C 6 36.180 36.180 32.268 3.912 25104 12753 1 15 . 1 1 6 6 VAL H H 6 8.805 8.805 8.676 0.129 25104 12754 1 15 . 1 1 7 7 PHE N N 7 119.359 119.359 128.954 -9.595 25104 12755 1 15 . 1 1 7 7 PHE HA H 7 5.948 5.948 5.125 0.823 25104 12756 1 15 . 1 1 7 7 PHE C C 7 173.634 173.634 173.483 0.151 25104 12757 1 15 . 1 1 7 7 PHE CA C 7 55.925 55.925 56.071 -0.145 25104 12758 1 15 . 1 1 7 7 PHE CB C 7 43.166 43.166 41.330 1.836 25104 12759 1 15 . 1 1 7 7 PHE H H 7 8.995 8.995 8.446 0.549 25104 12760 1 15 . 1 1 8 8 PHE N N 8 117.097 117.097 124.469 -7.372 25104 12761 1 15 . 1 1 8 8 PHE HA H 8 5.367 5.367 5.388 -0.021 25104 12762 1 15 . 1 1 8 8 PHE C C 8 176.000 176.000 174.219 1.781 25104 12763 1 15 . 1 1 8 8 PHE CA C 8 53.460 53.460 54.980 -1.520 25104 12764 1 15 . 1 1 8 8 PHE CB C 8 42.791 42.791 43.221 -0.430 25104 12765 1 15 . 1 1 8 8 PHE H H 8 9.571 9.571 8.633 0.938 25104 12766 1 15 . 1 1 9 9 ASP N N 9 124.287 124.287 121.826 2.461 25104 12767 1 15 . 1 1 9 9 ASP HA H 9 5.585 5.585 4.924 0.661 25104 12768 1 15 . 1 1 9 9 ASP C C 9 176.286 176.286 174.995 1.291 25104 12769 1 15 . 1 1 9 9 ASP CA C 9 54.831 54.831 53.573 1.258 25104 12770 1 15 . 1 1 9 9 ASP CB C 9 41.366 41.366 42.651 -1.285 25104 12771 1 15 . 1 1 9 9 ASP H H 9 9.301 9.301 8.497 0.804 25104 12772 1 15 . 1 1 10 10 ILE N N 10 124.286 124.286 124.434 -0.148 25104 12773 1 15 . 1 1 10 10 ILE HA H 10 5.213 5.213 4.160 1.053 25104 12774 1 15 . 1 1 10 10 ILE C C 10 177.031 177.031 174.743 2.288 25104 12775 1 15 . 1 1 10 10 ILE CA C 10 58.233 58.233 59.605 -1.371 25104 12776 1 15 . 1 1 10 10 ILE CB C 10 37.769 37.769 36.390 1.379 25104 12777 1 15 . 1 1 10 10 ILE H H 10 9.059 9.059 8.258 0.801 25104 12778 1 15 . 1 1 11 11 ALA N N 11 132.503 132.503 131.640 0.863 25104 12779 1 15 . 1 1 11 11 ALA HA H 11 5.216 5.216 5.079 0.137 25104 12780 1 15 . 1 1 11 11 ALA C C 11 175.928 175.928 175.526 0.402 25104 12781 1 15 . 1 1 11 11 ALA CA C 11 50.948 50.948 50.080 0.869 25104 12782 1 15 . 1 1 11 11 ALA CB C 11 22.804 22.804 21.954 0.850 25104 12783 1 15 . 1 1 11 11 ALA H H 11 9.642 9.642 8.765 0.877 25104 12784 1 15 . 1 1 12 12 VAL N N 12 118.551 118.551 124.565 -6.014 25104 12785 1 15 . 1 1 12 12 VAL HA H 12 4.578 4.578 3.912 0.666 25104 12786 1 15 . 1 1 12 12 VAL C C 12 177.347 177.347 175.587 1.760 25104 12787 1 15 . 1 1 12 12 VAL CA C 12 60.457 60.457 62.295 -1.838 25104 12788 1 15 . 1 1 12 12 VAL CB C 12 33.301 33.301 32.057 1.244 25104 12789 1 15 . 1 1 12 12 VAL H H 12 8.984 8.984 8.346 0.638 25104 12790 1 15 . 1 1 13 13 ASP N N 13 131.009 131.009 127.616 3.393 25104 12791 1 15 . 1 1 13 13 ASP HA H 13 4.359 4.359 4.225 0.134 25104 12792 1 15 . 1 1 13 13 ASP C C 13 176.795 176.795 176.367 0.428 25104 12793 1 15 . 1 1 13 13 ASP CA C 13 55.880 55.880 55.341 0.539 25104 12794 1 15 . 1 1 13 13 ASP CB C 13 39.999 39.999 39.021 0.978 25104 12795 1 15 . 1 1 13 13 ASP H H 13 9.868 9.868 9.049 0.819 25104 12796 1 15 . 1 1 14 14 GLY N N 14 101.848 101.848 103.698 -1.850 25104 12797 1 15 . 1 1 14 14 GLY C C 14 174.700 174.700 174.456 0.244 25104 12798 1 15 . 1 1 14 14 GLY CA C 14 45.303 45.303 45.146 0.157 25104 12799 1 15 . 1 1 14 14 GLY H H 14 8.578 8.578 8.386 0.192 25104 12800 1 15 . 1 1 15 15 GLU N N 15 123.331 123.331 122.873 0.458 25104 12801 1 15 . 1 1 15 15 GLU HA H 15 4.891 4.891 4.702 0.189 25104 12802 1 15 . 1 1 15 15 GLU CA C 15 52.932 52.932 53.133 -0.201 25104 12803 1 15 . 1 1 15 15 GLU CB C 15 30.468 30.468 29.411 1.057 25104 12804 1 15 . 1 1 15 15 GLU H H 15 8.086 8.086 7.654 0.432 25104 12805 1 15 . 1 1 16 16 PRO HA H 16 4.240 4.240 4.349 -0.109 25104 12806 1 15 . 1 1 16 16 PRO C C 16 177.072 177.072 176.212 0.860 25104 12807 1 15 . 1 1 16 16 PRO CA C 16 64.838 64.838 63.833 1.006 25104 12808 1 15 . 1 1 16 16 PRO CB C 16 32.368 32.368 31.635 0.733 25104 12809 1 15 . 1 1 17 17 LEU N N 17 126.051 126.051 127.609 -1.558 25104 12810 1 15 . 1 1 17 17 LEU HA H 17 4.739 4.739 4.280 0.459 25104 12811 1 15 . 1 1 17 17 LEU C C 17 176.975 176.975 177.017 -0.042 25104 12812 1 15 . 1 1 17 17 LEU CA C 17 55.511 55.511 55.773 -0.262 25104 12813 1 15 . 1 1 17 17 LEU CB C 17 44.257 44.257 42.960 1.297 25104 12814 1 15 . 1 1 17 17 LEU H H 17 9.237 9.237 8.565 0.672 25104 12815 1 15 . 1 1 18 18 GLY N N 18 102.496 102.496 104.178 -1.682 25104 12816 1 15 . 1 1 18 18 GLY C C 18 170.997 170.997 171.732 -0.735 25104 12817 1 15 . 1 1 18 18 GLY CA C 18 44.713 44.713 45.003 -0.290 25104 12818 1 15 . 1 1 18 18 GLY H H 18 7.303 7.303 7.532 -0.229 25104 12819 1 15 . 1 1 19 19 ARG N N 19 121.330 121.330 120.156 1.174 25104 12820 1 15 . 1 1 19 19 ARG HA H 19 5.665 5.665 4.574 1.091 25104 12821 1 15 . 1 1 19 19 ARG C C 19 176.011 176.011 175.191 0.820 25104 12822 1 15 . 1 1 19 19 ARG CA C 19 55.106 55.106 55.371 -0.265 25104 12823 1 15 . 1 1 19 19 ARG CB C 19 33.587 33.587 32.302 1.285 25104 12824 1 15 . 1 1 19 19 ARG H H 19 8.348 8.348 8.426 -0.078 25104 12825 1 15 . 1 1 20 20 VAL N N 20 126.859 126.859 124.815 2.044 25104 12826 1 15 . 1 1 20 20 VAL HA H 20 4.650 4.650 4.649 0.001 25104 12827 1 15 . 1 1 20 20 VAL C C 20 174.836 174.836 174.450 0.386 25104 12828 1 15 . 1 1 20 20 VAL CA C 20 59.966 59.966 60.139 -0.173 25104 12829 1 15 . 1 1 20 20 VAL CB C 20 35.034 35.034 35.099 -0.065 25104 12830 1 15 . 1 1 20 20 VAL H H 20 9.400 9.400 8.306 1.094 25104 12831 1 15 . 1 1 21 21 SER N N 21 120.319 120.319 119.564 0.755 25104 12832 1 15 . 1 1 21 21 SER HA H 21 5.565 5.565 5.171 0.394 25104 12833 1 15 . 1 1 21 21 SER C C 21 174.694 174.694 172.974 1.720 25104 12834 1 15 . 1 1 21 21 SER CA C 21 55.462 55.462 57.034 -1.572 25104 12835 1 15 . 1 1 21 21 SER CB C 21 66.546 66.546 66.054 0.492 25104 12836 1 15 . 1 1 21 21 SER H H 21 8.791 8.791 8.679 0.112 25104 12837 1 15 . 1 1 22 22 PHE N N 22 119.239 119.239 123.188 -3.949 25104 12838 1 15 . 1 1 22 22 PHE HA H 22 5.279 5.279 4.927 0.352 25104 12839 1 15 . 1 1 22 22 PHE C C 22 176.190 176.190 175.167 1.023 25104 12840 1 15 . 1 1 22 22 PHE CA C 22 55.882 55.882 56.412 -0.530 25104 12841 1 15 . 1 1 22 22 PHE CB C 22 42.673 42.673 41.078 1.595 25104 12842 1 15 . 1 1 22 22 PHE H H 22 9.553 9.553 9.060 0.493 25104 12843 1 15 . 1 1 23 23 GLU N N 23 123.308 123.308 124.996 -1.688 25104 12844 1 15 . 1 1 23 23 GLU HA H 23 4.797 4.797 4.224 0.573 25104 12845 1 15 . 1 1 23 23 GLU C C 23 175.673 175.673 175.439 0.234 25104 12846 1 15 . 1 1 23 23 GLU CA C 23 55.119 55.119 55.801 -0.682 25104 12847 1 15 . 1 1 23 23 GLU CB C 23 32.058 32.058 29.735 2.323 25104 12848 1 15 . 1 1 23 23 GLU H H 23 8.791 8.791 8.772 0.019 25104 12849 1 15 . 1 1 24 24 LEU N N 24 122.539 122.539 127.300 -4.761 25104 12850 1 15 . 1 1 24 24 LEU HA H 24 4.749 4.749 4.602 0.147 25104 12851 1 15 . 1 1 24 24 LEU C C 24 178.229 178.229 177.090 1.139 25104 12852 1 15 . 1 1 24 24 LEU CA C 24 51.899 51.899 53.901 -2.002 25104 12853 1 15 . 1 1 24 24 LEU CB C 24 43.248 43.248 42.575 0.673 25104 12854 1 15 . 1 1 24 24 LEU H H 24 8.198 8.198 8.471 -0.273 25104 12855 1 15 . 1 1 25 25 PHE N N 25 124.715 124.715 123.007 1.708 25104 12856 1 15 . 1 1 25 25 PHE HA H 25 5.171 5.171 4.734 0.437 25104 12857 1 15 . 1 1 25 25 PHE C C 25 177.485 177.485 175.589 1.896 25104 12858 1 15 . 1 1 25 25 PHE CA C 25 54.699 54.699 57.409 -2.710 25104 12859 1 15 . 1 1 25 25 PHE CB C 25 36.100 36.100 36.944 -0.844 25104 12860 1 15 . 1 1 25 25 PHE H H 25 8.864 8.864 9.204 -0.340 25104 12861 1 15 . 1 1 26 26 ALA N N 26 128.663 128.663 125.477 3.186 25104 12862 1 15 . 1 1 26 26 ALA HA H 26 3.838 3.838 4.233 -0.395 25104 12863 1 15 . 1 1 26 26 ALA C C 26 177.291 177.291 177.384 -0.093 25104 12864 1 15 . 1 1 26 26 ALA CA C 26 54.316 54.316 54.256 0.060 25104 12865 1 15 . 1 1 26 26 ALA CB C 26 19.002 19.002 18.642 0.360 25104 12866 1 15 . 1 1 26 26 ALA H H 26 8.480 8.480 7.882 0.598 25104 12867 1 15 . 1 1 27 27 ASP N N 27 114.191 114.191 114.824 -0.633 25104 12868 1 15 . 1 1 27 27 ASP HA H 27 4.197 4.197 4.574 -0.377 25104 12869 1 15 . 1 1 27 27 ASP C C 27 177.976 177.976 176.697 1.279 25104 12870 1 15 . 1 1 27 27 ASP CA C 27 55.410 55.410 55.553 -0.143 25104 12871 1 15 . 1 1 27 27 ASP CB C 27 38.821 38.821 40.408 -1.587 25104 12872 1 15 . 1 1 27 27 ASP H H 27 9.145 9.145 8.466 0.679 25104 12873 1 15 . 1 1 28 28 LYS N N 28 118.107 118.107 118.801 -0.694 25104 12874 1 15 . 1 1 28 28 LYS HA H 28 4.599 4.599 4.508 0.091 25104 12875 1 15 . 1 1 28 28 LYS C C 28 177.840 177.840 177.216 0.624 25104 12876 1 15 . 1 1 28 28 LYS CA C 28 56.262 56.262 57.326 -1.064 25104 12877 1 15 . 1 1 28 28 LYS CB C 28 36.006 36.006 35.322 0.684 25104 12878 1 15 . 1 1 28 28 LYS H H 28 7.569 7.569 7.610 -0.041 25104 12879 1 15 . 1 1 29 29 VAL N N 29 114.551 114.551 114.322 0.229 25104 12880 1 15 . 1 1 29 29 VAL HA H 29 4.487 4.487 4.721 -0.234 25104 12881 1 15 . 1 1 29 29 VAL CA C 29 58.309 58.309 58.842 -0.533 25104 12882 1 15 . 1 1 29 29 VAL CB C 29 32.078 32.078 32.055 0.023 25104 12883 1 15 . 1 1 29 29 VAL H H 29 8.364 8.364 8.110 0.254 25104 12884 1 15 . 1 1 30 30 PRO HA H 30 4.450 4.450 4.287 0.163 25104 12885 1 15 . 1 1 30 30 PRO C C 30 181.892 181.892 178.741 3.151 25104 12886 1 15 . 1 1 30 30 PRO CA C 30 66.227 66.227 65.787 0.440 25104 12887 1 15 . 1 1 30 30 PRO CB C 30 31.547 31.547 31.871 -0.324 25104 12888 1 15 . 1 1 31 31 LYS N N 31 123.785 123.785 116.906 6.879 25104 12889 1 15 . 1 1 31 31 LYS HA H 31 4.105 4.105 4.136 -0.031 25104 12890 1 15 . 1 1 31 31 LYS C C 31 182.749 182.749 178.777 3.972 25104 12891 1 15 . 1 1 31 31 LYS CA C 31 61.057 61.057 59.935 1.122 25104 12892 1 15 . 1 1 31 31 LYS CB C 31 32.468 32.468 32.254 0.214 25104 12893 1 15 . 1 1 31 31 LYS H H 31 10.684 10.684 8.426 2.258 25104 12894 1 15 . 1 1 32 32 THR N N 32 124.002 124.002 115.451 8.551 25104 12895 1 15 . 1 1 32 32 THR HA H 32 4.034 4.034 4.339 -0.305 25104 12896 1 15 . 1 1 32 32 THR C C 32 178.673 178.673 176.226 2.447 25104 12897 1 15 . 1 1 32 32 THR CA C 32 67.526 67.526 65.728 1.798 25104 12898 1 15 . 1 1 32 32 THR CB C 32 68.705 68.705 68.683 0.022 25104 12899 1 15 . 1 1 32 32 THR H H 32 10.320 10.320 7.714 2.606 25104 12900 1 15 . 1 1 33 33 ALA N N 33 125.616 125.616 124.259 1.357 25104 12901 1 15 . 1 1 33 33 ALA HA H 33 4.092 4.092 4.388 -0.296 25104 12902 1 15 . 1 1 33 33 ALA C C 33 179.174 179.174 179.333 -0.159 25104 12903 1 15 . 1 1 33 33 ALA CA C 33 55.972 55.972 55.399 0.573 25104 12904 1 15 . 1 1 33 33 ALA CB C 33 18.414 18.414 18.343 0.071 25104 12905 1 15 . 1 1 33 33 ALA H H 33 9.311 9.311 8.253 1.058 25104 12906 1 15 . 1 1 34 34 GLU N N 34 117.376 117.376 118.989 -1.613 25104 12907 1 15 . 1 1 34 34 GLU HA H 34 4.556 4.556 4.026 0.530 25104 12908 1 15 . 1 1 34 34 GLU C C 34 178.418 178.418 178.569 -0.151 25104 12909 1 15 . 1 1 34 34 GLU CA C 34 58.238 58.238 58.742 -0.504 25104 12910 1 15 . 1 1 34 34 GLU CB C 34 28.181 28.181 29.391 -1.210 25104 12911 1 15 . 1 1 34 34 GLU H H 34 8.069 8.069 8.152 -0.083 25104 12912 1 15 . 1 1 35 35 ASN N N 35 115.722 115.722 118.937 -3.215 25104 12913 1 15 . 1 1 35 35 ASN HA H 35 4.108 4.108 4.316 -0.208 25104 12914 1 15 . 1 1 35 35 ASN C C 35 175.568 175.568 177.262 -1.694 25104 12915 1 15 . 1 1 35 35 ASN CA C 35 56.768 56.768 56.094 0.674 25104 12916 1 15 . 1 1 35 35 ASN CB C 35 39.644 39.644 38.172 1.472 25104 12917 1 15 . 1 1 35 35 ASN H H 35 7.193 7.193 7.983 -0.790 25104 12918 1 15 . 1 1 36 36 PHE N N 36 117.929 117.929 120.367 -2.438 25104 12919 1 15 . 1 1 36 36 PHE HA H 36 4.158 4.158 4.181 -0.023 25104 12920 1 15 . 1 1 36 36 PHE C C 36 179.707 179.707 177.488 2.219 25104 12921 1 15 . 1 1 36 36 PHE CA C 36 61.589 61.589 61.066 0.523 25104 12922 1 15 . 1 1 36 36 PHE CB C 36 39.948 39.948 39.263 0.685 25104 12923 1 15 . 1 1 36 36 PHE H H 36 7.065 7.065 7.460 -0.395 25104 12924 1 15 . 1 1 37 37 ARG N N 37 121.048 121.048 120.387 0.661 25104 12925 1 15 . 1 1 37 37 ARG HA H 37 3.685 3.685 3.866 -0.181 25104 12926 1 15 . 1 1 37 37 ARG C C 37 179.000 179.000 177.891 1.109 25104 12927 1 15 . 1 1 37 37 ARG CA C 37 60.515 60.515 59.876 0.639 25104 12928 1 15 . 1 1 37 37 ARG CB C 37 29.880 29.880 30.162 -0.282 25104 12929 1 15 . 1 1 37 37 ARG H H 37 8.975 8.975 8.324 0.651 25104 12930 1 15 . 1 1 38 38 ALA N N 38 119.232 119.232 121.657 -2.425 25104 12931 1 15 . 1 1 38 38 ALA HA H 38 4.126 4.126 4.356 -0.230 25104 12932 1 15 . 1 1 38 38 ALA C C 38 183.365 183.365 180.115 3.250 25104 12933 1 15 . 1 1 38 38 ALA CA C 38 54.477 54.477 54.449 0.028 25104 12934 1 15 . 1 1 38 38 ALA CB C 38 18.405 18.405 18.584 -0.179 25104 12935 1 15 . 1 1 38 38 ALA H H 38 8.741 8.741 7.931 0.810 25104 12936 1 15 . 1 1 39 39 LEU N N 39 120.723 120.723 118.512 2.211 25104 12937 1 15 . 1 1 39 39 LEU HA H 39 3.800 3.800 4.166 -0.366 25104 12938 1 15 . 1 1 39 39 LEU C C 39 180.481 180.481 178.613 1.868 25104 12939 1 15 . 1 1 39 39 LEU CA C 39 57.268 57.268 57.492 -0.224 25104 12940 1 15 . 1 1 39 39 LEU CB C 39 41.218 41.218 41.614 -0.396 25104 12941 1 15 . 1 1 39 39 LEU H H 39 8.212 8.212 7.970 0.242 25104 12942 1 15 . 1 1 40 40 SER N N 40 119.210 119.210 114.410 4.800 25104 12943 1 15 . 1 1 40 40 SER HA H 40 4.341 4.341 4.351 -0.010 25104 12944 1 15 . 1 1 40 40 SER C C 40 175.380 175.380 176.186 -0.806 25104 12945 1 15 . 1 1 40 40 SER CA C 40 62.924 62.924 61.299 1.625 25104 12946 1 15 . 1 1 40 40 SER CB C 40 62.992 62.992 63.365 -0.373 25104 12947 1 15 . 1 1 40 40 SER H H 40 7.938 7.938 7.876 0.062 25104 12948 1 15 . 1 1 41 41 THR N N 41 108.556 108.556 111.648 -3.092 25104 12949 1 15 . 1 1 41 41 THR HA H 41 4.508 4.508 4.274 0.234 25104 12950 1 15 . 1 1 41 41 THR C C 41 179.088 179.088 176.560 2.528 25104 12951 1 15 . 1 1 41 41 THR CA C 41 62.492 62.492 63.506 -1.014 25104 12952 1 15 . 1 1 41 41 THR CB C 41 69.663 69.663 69.584 0.079 25104 12953 1 15 . 1 1 41 41 THR H H 41 8.017 8.017 8.030 -0.013 25104 12954 1 15 . 1 1 42 42 GLY N N 42 108.433 108.433 111.007 -2.574 25104 12955 1 15 . 1 1 42 42 GLY C C 42 178.676 178.676 175.873 2.803 25104 12956 1 15 . 1 1 42 42 GLY CA C 42 45.840 45.840 45.634 0.206 25104 12957 1 15 . 1 1 42 42 GLY H H 42 7.621 7.621 7.819 -0.198 25104 12958 1 15 . 1 1 43 43 GLU N N 43 118.777 118.777 121.017 -2.240 25104 12959 1 15 . 1 1 43 43 GLU HA H 43 4.171 4.171 4.062 0.109 25104 12960 1 15 . 1 1 43 43 GLU C C 43 177.458 177.458 177.667 -0.209 25104 12961 1 15 . 1 1 43 43 GLU CA C 43 58.580 58.580 58.344 0.236 25104 12962 1 15 . 1 1 43 43 GLU H H 43 8.049 8.049 8.004 0.045 25104 12963 1 15 . 1 1 44 44 LYS N N 44 118.526 118.526 116.151 2.375 25104 12964 1 15 . 1 1 44 44 LYS HA H 44 4.342 4.342 4.270 0.072 25104 12965 1 15 . 1 1 44 44 LYS C C 44 177.590 177.590 176.640 0.950 25104 12966 1 15 . 1 1 44 44 LYS CA C 44 54.405 54.405 54.450 -0.045 25104 12967 1 15 . 1 1 44 44 LYS CB C 44 30.488 30.488 31.802 -1.313 25104 12968 1 15 . 1 1 44 44 LYS H H 44 9.123 9.123 7.547 1.576 25104 12969 1 15 . 1 1 45 45 GLY N N 45 105.553 105.553 107.552 -1.999 25104 12970 1 15 . 1 1 45 45 GLY C C 45 173.518 173.518 174.831 -1.313 25104 12971 1 15 . 1 1 45 45 GLY CA C 45 44.612 44.612 45.895 -1.284 25104 12972 1 15 . 1 1 45 45 GLY H H 45 7.970 7.970 7.604 0.366 25104 12973 1 15 . 1 1 46 46 PHE N N 46 113.753 113.753 119.889 -6.136 25104 12974 1 15 . 1 1 46 46 PHE HA H 46 4.678 4.678 4.193 0.485 25104 12975 1 15 . 1 1 46 46 PHE C C 46 173.684 173.684 176.564 -2.880 25104 12976 1 15 . 1 1 46 46 PHE CA C 46 54.077 54.077 57.267 -3.190 25104 12977 1 15 . 1 1 46 46 PHE CB C 46 39.658 39.658 38.922 0.737 25104 12978 1 15 . 1 1 46 46 PHE H H 46 6.469 6.469 7.287 -0.818 25104 12979 1 15 . 1 1 47 47 GLY N N 47 104.722 104.722 106.642 -1.920 25104 12980 1 15 . 1 1 47 47 GLY C C 47 172.446 172.446 174.808 -2.362 25104 12981 1 15 . 1 1 47 47 GLY CA C 47 45.601 45.601 45.597 0.004 25104 12982 1 15 . 1 1 47 47 GLY H H 47 7.756 7.756 8.037 -0.281 25104 12983 1 15 . 1 1 48 48 TYR N N 48 113.796 113.796 120.214 -6.418 25104 12984 1 15 . 1 1 48 48 TYR HA H 48 4.270 4.270 4.170 0.100 25104 12985 1 15 . 1 1 48 48 TYR C C 48 178.924 178.924 175.868 3.056 25104 12986 1 15 . 1 1 48 48 TYR CA C 48 57.365 57.365 58.800 -1.435 25104 12987 1 15 . 1 1 48 48 TYR CB C 48 38.832 38.832 37.277 1.555 25104 12988 1 15 . 1 1 48 48 TYR H H 48 6.948 6.948 8.090 -1.142 25104 12989 1 15 . 1 1 49 49 LYS N N 49 124.858 124.858 125.175 -0.317 25104 12990 1 15 . 1 1 49 49 LYS HA H 49 3.655 3.655 4.350 -0.695 25104 12991 1 15 . 1 1 49 49 LYS C C 49 178.388 178.388 176.966 1.422 25104 12992 1 15 . 1 1 49 49 LYS CA C 49 61.018 61.018 54.901 6.117 25104 12993 1 15 . 1 1 49 49 LYS CB C 49 31.484 31.484 33.412 -1.928 25104 12994 1 15 . 1 1 49 49 LYS H H 49 8.493 8.493 7.816 0.677 25104 12995 1 15 . 1 1 50 50 GLY N N 50 117.833 117.833 115.770 2.063 25104 12996 1 15 . 1 1 50 50 GLY C C 50 175.259 175.259 174.166 1.093 25104 12997 1 15 . 1 1 50 50 GLY CA C 50 45.495 45.495 45.218 0.277 25104 12998 1 15 . 1 1 50 50 GLY H H 50 9.509 9.509 8.497 1.012 25104 12999 1 15 . 1 1 51 51 SER N N 51 116.413 116.413 114.934 1.479 25104 13000 1 15 . 1 1 51 51 SER HA H 51 4.516 4.516 4.023 0.493 25104 13001 1 15 . 1 1 51 51 SER C C 51 172.808 172.808 174.648 -1.840 25104 13002 1 15 . 1 1 51 51 SER CA C 51 59.043 59.043 58.649 0.394 25104 13003 1 15 . 1 1 51 51 SER CB C 51 63.781 63.781 63.703 0.078 25104 13004 1 15 . 1 1 51 51 SER H H 51 8.436 8.436 7.776 0.660 25104 13005 1 15 . 1 1 52 52 CYS N N 52 115.156 115.156 126.863 -11.707 25104 13006 1 15 . 1 1 52 52 CYS HA H 52 5.932 5.932 5.127 0.805 25104 13007 1 15 . 1 1 52 52 CYS C C 52 177.437 177.437 174.094 3.343 25104 13008 1 15 . 1 1 52 52 CYS CA C 52 55.998 55.998 57.344 -1.346 25104 13009 1 15 . 1 1 52 52 CYS CB C 52 31.953 31.953 29.795 2.158 25104 13010 1 15 . 1 1 52 52 CYS H H 52 9.875 9.875 8.274 1.601 25104 13011 1 15 . 1 1 53 53 PHE N N 53 123.068 123.068 124.725 -1.657 25104 13012 1 15 . 1 1 53 53 PHE HA H 53 4.899 4.899 4.849 0.050 25104 13013 1 15 . 1 1 53 53 PHE C C 53 175.886 175.886 175.841 0.045 25104 13014 1 15 . 1 1 53 53 PHE CA C 53 58.389 58.389 57.970 0.419 25104 13015 1 15 . 1 1 53 53 PHE CB C 53 39.535 39.535 39.449 0.086 25104 13016 1 15 . 1 1 53 53 PHE H H 53 8.732 8.732 8.995 -0.263 25104 13017 1 15 . 1 1 54 54 HIS N N 54 120.227 120.227 121.720 -1.493 25104 13018 1 15 . 1 1 54 54 HIS HA H 54 4.763 4.763 4.756 0.007 25104 13019 1 15 . 1 1 54 54 HIS C C 54 176.409 176.409 174.362 2.047 25104 13020 1 15 . 1 1 54 54 HIS CA C 54 57.323 57.323 56.227 1.096 25104 13021 1 15 . 1 1 54 54 HIS CB C 54 31.542 31.542 31.863 -0.321 25104 13022 1 15 . 1 1 54 54 HIS H H 54 7.696 7.696 8.431 -0.735 25104 13023 1 15 . 1 1 55 55 ARG N N 55 123.202 123.202 121.066 2.136 25104 13024 1 15 . 1 1 55 55 ARG HA H 55 5.118 5.118 4.924 0.194 25104 13025 1 15 . 1 1 55 55 ARG C C 55 174.511 174.511 173.958 0.553 25104 13026 1 15 . 1 1 55 55 ARG CA C 55 54.913 54.913 54.548 0.364 25104 13027 1 15 . 1 1 55 55 ARG CB C 55 33.805 33.805 30.952 2.853 25104 13028 1 15 . 1 1 55 55 ARG H H 55 7.089 7.089 6.980 0.109 25104 13029 1 15 . 1 1 56 56 ILE N N 56 126.621 126.621 126.947 -0.326 25104 13030 1 15 . 1 1 56 56 ILE HA H 56 4.659 4.659 4.886 -0.227 25104 13031 1 15 . 1 1 56 56 ILE C C 56 174.633 174.633 174.190 0.443 25104 13032 1 15 . 1 1 56 56 ILE CA C 56 61.585 61.585 60.361 1.224 25104 13033 1 15 . 1 1 56 56 ILE CB C 56 41.452 41.452 41.296 0.156 25104 13034 1 15 . 1 1 56 56 ILE H H 56 9.201 9.201 8.816 0.385 25104 13035 1 15 . 1 1 57 57 ILE N N 57 127.965 127.965 125.648 2.317 25104 13036 1 15 . 1 1 57 57 ILE HA H 57 5.248 5.248 5.118 0.130 25104 13037 1 15 . 1 1 57 57 ILE CA C 57 57.685 57.685 57.491 0.194 25104 13038 1 15 . 1 1 57 57 ILE CB C 57 40.236 40.236 41.355 -1.119 25104 13039 1 15 . 1 1 57 57 ILE H H 57 8.753 8.753 8.955 -0.202 25104 13040 1 15 . 1 1 58 58 PRO HA H 58 4.382 4.382 4.346 0.036 25104 13041 1 15 . 1 1 58 58 PRO C C 58 178.669 178.669 177.745 0.924 25104 13042 1 15 . 1 1 58 58 PRO CA C 58 63.086 63.086 63.479 -0.393 25104 13043 1 15 . 1 1 58 58 PRO CB C 58 31.996 31.996 31.719 0.277 25104 13044 1 15 . 1 1 59 59 GLY N N 59 114.176 114.176 111.334 2.842 25104 13045 1 15 . 1 1 59 59 GLY C C 59 173.281 173.281 173.576 -0.295 25104 13046 1 15 . 1 1 59 59 GLY CA C 59 45.259 45.259 46.251 -0.992 25104 13047 1 15 . 1 1 59 59 GLY H H 59 9.752 9.752 8.794 0.958 25104 13048 1 15 . 1 1 60 60 PHE N N 60 119.241 119.241 119.132 0.109 25104 13049 1 15 . 1 1 60 60 PHE HA H 60 5.153 5.153 4.978 0.175 25104 13050 1 15 . 1 1 60 60 PHE C C 60 174.401 174.401 173.429 0.972 25104 13051 1 15 . 1 1 60 60 PHE CA C 60 56.867 56.867 57.946 -1.079 25104 13052 1 15 . 1 1 60 60 PHE CB C 60 39.954 39.954 42.041 -2.087 25104 13053 1 15 . 1 1 60 60 PHE H H 60 8.196 8.196 7.948 0.248 25104 13054 1 15 . 1 1 61 61 MET N N 61 111.262 111.262 111.592 -0.330 25104 13055 1 15 . 1 1 61 61 MET HA H 61 5.369 5.369 5.082 0.287 25104 13056 1 15 . 1 1 61 61 MET C C 61 175.163 175.163 173.610 1.553 25104 13057 1 15 . 1 1 61 61 MET CA C 61 55.062 55.062 55.201 -0.139 25104 13058 1 15 . 1 1 61 61 MET CB C 61 35.010 35.010 35.545 -0.535 25104 13059 1 15 . 1 1 61 61 MET H H 61 8.128 8.128 8.279 -0.151 25104 13060 1 15 . 1 1 62 62 CYS N N 62 114.848 114.848 120.257 -5.409 25104 13061 1 15 . 1 1 62 62 CYS HA H 62 4.941 4.941 4.890 0.051 25104 13062 1 15 . 1 1 62 62 CYS C C 62 174.075 174.075 174.342 -0.267 25104 13063 1 15 . 1 1 62 62 CYS CA C 62 57.485 57.485 58.446 -0.961 25104 13064 1 15 . 1 1 62 62 CYS CB C 62 30.392 30.392 27.970 2.422 25104 13065 1 15 . 1 1 62 62 CYS H H 62 8.501 8.501 8.864 -0.363 25104 13066 1 15 . 1 1 63 63 GLN N N 63 126.854 126.854 127.536 -0.682 25104 13067 1 15 . 1 1 63 63 GLN HA H 63 5.410 5.410 5.149 0.261 25104 13068 1 15 . 1 1 63 63 GLN C C 63 175.024 175.024 174.882 0.142 25104 13069 1 15 . 1 1 63 63 GLN CA C 63 54.691 54.691 54.647 0.045 25104 13070 1 15 . 1 1 63 63 GLN CB C 63 30.529 30.529 30.535 -0.006 25104 13071 1 15 . 1 1 63 63 GLN H H 63 9.671 9.671 8.865 0.806 25104 13072 1 15 . 1 1 64 64 GLY N N 64 110.745 110.745 111.726 -0.981 25104 13073 1 15 . 1 1 64 64 GLY C C 64 174.113 174.113 173.043 1.070 25104 13074 1 15 . 1 1 64 64 GLY CA C 64 44.788 44.788 42.763 2.026 25104 13075 1 15 . 1 1 64 64 GLY H H 64 7.401 7.401 8.228 -0.827 25104 13076 1 15 . 1 1 65 65 GLY N N 65 105.815 105.815 106.405 -0.590 25104 13077 1 15 . 1 1 65 65 GLY C C 65 176.175 176.175 174.418 1.757 25104 13078 1 15 . 1 1 65 65 GLY CA C 65 46.659 46.659 45.765 0.894 25104 13079 1 15 . 1 1 65 65 GLY H H 65 9.265 9.265 7.653 1.612 25104 13080 1 15 . 1 1 66 66 ASP N N 66 123.911 123.911 122.201 1.710 25104 13081 1 15 . 1 1 66 66 ASP HA H 66 4.337 4.337 4.404 -0.068 25104 13082 1 15 . 1 1 66 66 ASP C C 66 177.105 177.105 174.783 2.322 25104 13083 1 15 . 1 1 66 66 ASP CA C 66 51.592 51.592 54.449 -2.857 25104 13084 1 15 . 1 1 66 66 ASP CB C 66 38.926 38.926 40.119 -1.193 25104 13085 1 15 . 1 1 66 66 ASP H H 66 9.950 9.950 7.691 2.259 25104 13086 1 15 . 1 1 67 67 PHE N N 67 116.285 116.285 125.752 -9.467 25104 13087 1 15 . 1 1 67 67 PHE HA H 67 4.655 4.655 4.547 0.108 25104 13088 1 15 . 1 1 67 67 PHE C C 67 175.240 175.240 174.440 0.800 25104 13089 1 15 . 1 1 67 67 PHE CA C 67 55.683 55.683 59.194 -3.511 25104 13090 1 15 . 1 1 67 67 PHE CB C 67 39.480 39.480 41.017 -1.538 25104 13091 1 15 . 1 1 67 67 PHE H H 67 6.660 6.660 7.728 -1.068 25104 13092 1 15 . 1 1 68 68 THR N N 68 109.280 109.280 118.335 -9.055 25104 13093 1 15 . 1 1 68 68 THR HA H 68 4.692 4.692 4.487 0.205 25104 13094 1 15 . 1 1 68 68 THR C C 68 176.514 176.514 174.388 2.126 25104 13095 1 15 . 1 1 68 68 THR CA C 68 61.962 61.962 63.417 -1.455 25104 13096 1 15 . 1 1 68 68 THR CB C 68 68.922 68.922 69.252 -0.330 25104 13097 1 15 . 1 1 68 68 THR H H 68 7.400 7.400 8.705 -1.305 25104 13098 1 15 . 1 1 69 69 ARG N N 69 122.125 122.125 121.699 0.426 25104 13099 1 15 . 1 1 69 69 ARG HA H 69 4.421 4.421 3.877 0.544 25104 13100 1 15 . 1 1 69 69 ARG CA C 69 55.265 55.265 57.046 -1.781 25104 13101 1 15 . 1 1 69 69 ARG CB C 69 31.727 31.727 27.843 3.884 25104 13102 1 15 . 1 1 69 69 ARG H H 69 8.719 8.719 9.174 -0.455 25104 13103 1 15 . 1 1 70 70 HIS N N 70 111.574 111.574 120.114 -8.540 25104 13104 1 15 . 1 1 70 70 HIS HA H 70 4.451 4.451 4.219 0.232 25104 13105 1 15 . 1 1 70 70 HIS C C 70 175.306 175.306 175.387 -0.081 25104 13106 1 15 . 1 1 70 70 HIS CA C 70 57.193 57.193 58.553 -1.360 25104 13107 1 15 . 1 1 70 70 HIS CB C 70 28.587 28.587 29.718 -1.131 25104 13108 1 15 . 1 1 70 70 HIS H H 70 6.865 6.865 7.936 -1.071 25104 13109 1 15 . 1 1 71 71 ASN N N 71 112.710 112.710 118.191 -5.481 25104 13110 1 15 . 1 1 71 71 ASN HA H 71 4.673 4.673 4.095 0.578 25104 13111 1 15 . 1 1 71 71 ASN C C 71 176.752 176.752 176.130 0.622 25104 13112 1 15 . 1 1 71 71 ASN CA C 71 52.366 52.366 53.709 -1.343 25104 13113 1 15 . 1 1 71 71 ASN CB C 71 39.036 39.036 36.511 2.525 25104 13114 1 15 . 1 1 71 71 ASN H H 71 7.594 7.594 8.183 -0.589 25104 13115 1 15 . 1 1 72 72 GLY N N 72 110.452 110.452 113.209 -2.757 25104 13116 1 15 . 1 1 72 72 GLY C C 72 176.669 176.669 174.052 2.617 25104 13117 1 15 . 1 1 72 72 GLY CA C 72 44.887 44.887 46.040 -1.153 25104 13118 1 15 . 1 1 72 72 GLY H H 72 9.642 9.642 8.277 1.365 25104 13119 1 15 . 1 1 73 73 THR N N 73 112.024 112.024 114.832 -2.808 25104 13120 1 15 . 1 1 73 73 THR HA H 73 4.541 4.541 4.429 0.112 25104 13121 1 15 . 1 1 73 73 THR C C 73 176.905 176.905 174.661 2.244 25104 13122 1 15 . 1 1 73 73 THR CA C 73 62.235 62.235 61.778 0.457 25104 13123 1 15 . 1 1 73 73 THR CB C 73 70.677 70.677 71.480 -0.803 25104 13124 1 15 . 1 1 73 73 THR H H 73 7.967 7.967 7.388 0.579 25104 13125 1 15 . 1 1 74 74 GLY N N 74 113.872 113.872 110.473 3.399 25104 13126 1 15 . 1 1 74 74 GLY C C 74 176.149 176.149 174.283 1.866 25104 13127 1 15 . 1 1 74 74 GLY CA C 74 45.126 45.126 45.457 -0.331 25104 13128 1 15 . 1 1 74 74 GLY H H 74 8.711 8.711 8.054 0.657 25104 13129 1 15 . 1 1 75 75 GLY N N 75 109.032 109.032 107.331 1.701 25104 13130 1 15 . 1 1 75 75 GLY C C 75 173.012 173.012 174.079 -1.067 25104 13131 1 15 . 1 1 75 75 GLY CA C 75 43.371 43.371 44.262 -0.891 25104 13132 1 15 . 1 1 75 75 GLY H H 75 8.117 8.117 7.958 0.159 25104 13133 1 15 . 1 1 76 76 LYS N N 76 115.705 115.705 119.508 -3.803 25104 13134 1 15 . 1 1 76 76 LYS HA H 76 4.623 4.623 4.871 -0.248 25104 13135 1 15 . 1 1 76 76 LYS C C 76 173.512 173.512 176.893 -3.381 25104 13136 1 15 . 1 1 76 76 LYS CA C 76 55.975 55.975 55.831 0.144 25104 13137 1 15 . 1 1 76 76 LYS CB C 76 34.648 34.648 33.177 1.471 25104 13138 1 15 . 1 1 76 76 LYS H H 76 7.034 7.034 7.614 -0.580 25104 13139 1 15 . 1 1 77 77 SER N N 77 114.354 114.354 114.678 -0.324 25104 13140 1 15 . 1 1 77 77 SER HA H 77 5.240 5.240 4.686 0.554 25104 13141 1 15 . 1 1 77 77 SER C C 77 176.746 176.746 176.467 0.279 25104 13142 1 15 . 1 1 77 77 SER CA C 77 57.077 57.077 57.352 -0.275 25104 13143 1 15 . 1 1 77 77 SER CB C 77 69.863 69.863 65.171 4.692 25104 13144 1 15 . 1 1 77 77 SER H H 77 7.793 7.793 8.165 -0.372 25104 13145 1 15 . 1 1 78 78 ILE N N 78 111.394 111.394 115.782 -4.388 25104 13146 1 15 . 1 1 78 78 ILE HA H 78 4.208 4.208 4.344 -0.136 25104 13147 1 15 . 1 1 78 78 ILE C C 78 176.973 176.973 175.843 1.130 25104 13148 1 15 . 1 1 78 78 ILE CA C 78 63.675 63.675 63.139 0.536 25104 13149 1 15 . 1 1 78 78 ILE CB C 78 37.434 37.434 37.642 -0.208 25104 13150 1 15 . 1 1 78 78 ILE H H 78 8.584 8.584 8.674 -0.090 25104 13151 1 15 . 1 1 79 79 TYR N N 79 120.757 120.757 119.497 1.260 25104 13152 1 15 . 1 1 79 79 TYR HA H 79 4.718 4.718 4.601 0.117 25104 13153 1 15 . 1 1 79 79 TYR C C 79 176.316 176.316 176.005 0.311 25104 13154 1 15 . 1 1 79 79 TYR CA C 79 56.216 56.216 57.391 -1.175 25104 13155 1 15 . 1 1 79 79 TYR CB C 79 38.891 38.891 37.898 0.993 25104 13156 1 15 . 1 1 79 79 TYR H H 79 8.058 8.058 7.379 0.679 25104 13157 1 15 . 1 1 80 80 GLY N N 80 106.521 106.521 107.757 -1.236 25104 13158 1 15 . 1 1 80 80 GLY CA C 80 46.021 46.021 44.765 1.256 25104 13159 1 15 . 1 1 80 80 GLY H H 80 7.152 7.152 7.295 -0.143 25104 13160 1 15 . 1 1 81 81 GLU N N 81 122.638 122.638 123.267 -0.629 25104 13161 1 15 . 1 1 81 81 GLU HA H 81 4.008 4.008 3.996 0.012 25104 13162 1 15 . 1 1 81 81 GLU C C 81 176.729 176.729 175.549 1.180 25104 13163 1 15 . 1 1 81 81 GLU CA C 81 60.602 60.602 58.967 1.635 25104 13164 1 15 . 1 1 81 81 GLU CB C 81 29.927 29.927 30.055 -0.128 25104 13165 1 15 . 1 1 81 81 GLU H H 81 8.884 8.884 8.615 0.269 25104 13166 1 15 . 1 1 82 82 LYS N N 82 112.369 112.369 112.100 0.269 25104 13167 1 15 . 1 1 82 82 LYS HA H 82 5.577 5.577 4.827 0.750 25104 13168 1 15 . 1 1 82 82 LYS C C 82 176.495 176.495 175.003 1.492 25104 13169 1 15 . 1 1 82 82 LYS CA C 82 53.906 53.906 55.363 -1.457 25104 13170 1 15 . 1 1 82 82 LYS CB C 82 36.614 36.614 36.104 0.510 25104 13171 1 15 . 1 1 82 82 LYS H H 82 7.845 7.845 7.519 0.326 25104 13172 1 15 . 1 1 83 83 PHE N N 83 116.638 116.638 114.604 2.034 25104 13173 1 15 . 1 1 83 83 PHE HA H 83 5.000 5.000 4.970 0.030 25104 13174 1 15 . 1 1 83 83 PHE C C 83 174.501 174.501 173.556 0.945 25104 13175 1 15 . 1 1 83 83 PHE CA C 83 56.032 56.032 56.204 -0.172 25104 13176 1 15 . 1 1 83 83 PHE CB C 83 41.258 41.258 41.806 -0.548 25104 13177 1 15 . 1 1 83 83 PHE H H 83 9.184 9.184 9.044 0.140 25104 13178 1 15 . 1 1 84 84 GLU N N 84 119.642 119.642 118.470 1.172 25104 13179 1 15 . 1 1 84 84 GLU HA H 84 3.862 3.862 4.313 -0.451 25104 13180 1 15 . 1 1 84 84 GLU C C 84 177.248 177.248 175.305 1.943 25104 13181 1 15 . 1 1 84 84 GLU CA C 84 56.452 56.452 55.400 1.052 25104 13182 1 15 . 1 1 84 84 GLU CB C 84 29.329 29.329 30.563 -1.234 25104 13183 1 15 . 1 1 84 84 GLU H H 84 9.294 9.294 8.467 0.827 25104 13184 1 15 . 1 1 85 85 ASP N N 85 118.870 118.870 121.210 -2.340 25104 13185 1 15 . 1 1 85 85 ASP HA H 85 4.285 4.285 4.488 -0.203 25104 13186 1 15 . 1 1 85 85 ASP C C 85 177.100 177.100 175.818 1.282 25104 13187 1 15 . 1 1 85 85 ASP CA C 85 54.486 54.486 54.464 0.022 25104 13188 1 15 . 1 1 85 85 ASP CB C 85 40.954 40.954 41.869 -0.915 25104 13189 1 15 . 1 1 85 85 ASP H H 85 8.609 8.609 8.206 0.403 25104 13190 1 15 . 1 1 86 86 GLU N N 86 131.636 131.636 123.993 7.643 25104 13191 1 15 . 1 1 86 86 GLU HA H 86 3.851 3.851 4.114 -0.263 25104 13192 1 15 . 1 1 86 86 GLU C C 86 177.266 177.266 175.747 1.519 25104 13193 1 15 . 1 1 86 86 GLU CA C 86 60.354 60.354 58.036 2.318 25104 13194 1 15 . 1 1 86 86 GLU CB C 86 31.877 31.877 30.355 1.522 25104 13195 1 15 . 1 1 86 86 GLU H H 86 9.474 9.474 8.866 0.608 25104 13196 1 15 . 1 1 87 87 ASN N N 87 106.916 106.916 114.321 -7.405 25104 13197 1 15 . 1 1 87 87 ASN HA H 87 4.187 4.187 4.617 -0.430 25104 13198 1 15 . 1 1 87 87 ASN C C 87 171.751 171.751 173.384 -1.633 25104 13199 1 15 . 1 1 87 87 ASN CA C 87 52.828 52.828 52.417 0.411 25104 13200 1 15 . 1 1 87 87 ASN CB C 87 39.490 39.490 39.575 -0.085 25104 13201 1 15 . 1 1 87 87 ASN H H 87 7.084 7.084 7.582 -0.498 25104 13202 1 15 . 1 1 88 88 PHE N N 88 113.116 113.116 115.274 -2.158 25104 13203 1 15 . 1 1 88 88 PHE HA H 88 5.964 5.964 4.826 1.138 25104 13204 1 15 . 1 1 88 88 PHE C C 88 178.688 178.688 175.295 3.393 25104 13205 1 15 . 1 1 88 88 PHE CA C 88 55.847 55.847 56.902 -1.055 25104 13206 1 15 . 1 1 88 88 PHE CB C 88 38.876 38.876 39.498 -0.622 25104 13207 1 15 . 1 1 88 88 PHE H H 88 8.356 8.356 8.326 0.030 25104 13208 1 15 . 1 1 89 89 ILE N N 89 119.794 119.794 119.487 0.307 25104 13209 1 15 . 1 1 89 89 ILE HA H 89 3.726 3.726 3.873 -0.147 25104 13210 1 15 . 1 1 89 89 ILE C C 89 178.596 178.596 176.324 2.272 25104 13211 1 15 . 1 1 89 89 ILE CA C 89 64.996 64.996 64.101 0.895 25104 13212 1 15 . 1 1 89 89 ILE CB C 89 39.000 39.000 38.213 0.787 25104 13213 1 15 . 1 1 89 89 ILE H H 89 8.314 8.314 7.695 0.619 25104 13214 1 15 . 1 1 90 90 LEU N N 90 117.361 117.361 117.560 -0.199 25104 13215 1 15 . 1 1 90 90 LEU HA H 90 4.516 4.516 4.328 0.188 25104 13216 1 15 . 1 1 90 90 LEU C C 90 177.345 177.345 175.549 1.796 25104 13217 1 15 . 1 1 90 90 LEU CA C 90 54.196 54.196 54.151 0.045 25104 13218 1 15 . 1 1 90 90 LEU CB C 90 42.100 42.100 42.800 -0.700 25104 13219 1 15 . 1 1 90 90 LEU H H 90 7.777 7.777 7.870 -0.093 25104 13220 1 15 . 1 1 91 91 LYS N N 91 119.096 119.096 119.753 -0.657 25104 13221 1 15 . 1 1 91 91 LYS HA H 91 4.635 4.635 4.627 0.008 25104 13222 1 15 . 1 1 91 91 LYS C C 91 177.296 177.296 175.236 2.060 25104 13223 1 15 . 1 1 91 91 LYS CA C 91 54.689 54.689 55.271 -0.582 25104 13224 1 15 . 1 1 91 91 LYS CB C 91 34.841 34.841 34.757 0.084 25104 13225 1 15 . 1 1 91 91 LYS H H 91 8.086 8.086 8.319 -0.233 25104 13226 1 15 . 1 1 92 92 HIS N N 92 122.578 122.578 121.339 1.239 25104 13227 1 15 . 1 1 92 92 HIS HA H 92 4.408 4.408 4.755 -0.347 25104 13228 1 15 . 1 1 92 92 HIS C C 92 178.794 178.794 175.136 3.658 25104 13229 1 15 . 1 1 92 92 HIS CA C 92 56.886 56.886 55.882 1.004 25104 13230 1 15 . 1 1 92 92 HIS CB C 92 26.041 26.041 28.273 -2.232 25104 13231 1 15 . 1 1 92 92 HIS H H 92 10.736 10.736 9.002 1.734 25104 13232 1 15 . 1 1 93 93 THR N N 93 110.479 110.479 112.651 -2.172 25104 13233 1 15 . 1 1 93 93 THR HA H 93 4.056 4.056 4.347 -0.291 25104 13234 1 15 . 1 1 93 93 THR C C 93 176.456 176.456 174.098 2.358 25104 13235 1 15 . 1 1 93 93 THR CA C 93 63.324 63.324 61.999 1.325 25104 13236 1 15 . 1 1 93 93 THR CB C 93 69.416 69.416 69.373 0.043 25104 13237 1 15 . 1 1 93 93 THR H H 93 7.315 7.315 7.603 -0.288 25104 13238 1 15 . 1 1 94 94 GLY N N 94 107.272 107.272 108.169 -0.897 25104 13239 1 15 . 1 1 94 94 GLY C C 94 178.117 178.117 172.025 6.092 25104 13240 1 15 . 1 1 94 94 GLY H H 94 7.530 7.530 7.375 0.155 25104 13241 1 15 . 1 1 95 95 PRO HA H 95 3.856 3.856 4.224 -0.368 25104 13242 1 15 . 1 1 95 95 PRO CA C 95 62.687 62.687 62.527 0.160 25104 13243 1 15 . 1 1 95 95 PRO CB C 95 32.137 32.137 32.713 -0.576 25104 13244 1 15 . 1 1 96 96 GLY N N 96 110.210 110.210 109.863 0.347 25104 13245 1 15 . 1 1 96 96 GLY C C 96 174.025 174.025 174.787 -0.762 25104 13246 1 15 . 1 1 96 96 GLY CA C 96 45.068 45.068 45.365 -0.297 25104 13247 1 15 . 1 1 96 96 GLY H H 96 9.305 9.305 8.561 0.744 25104 13248 1 15 . 1 1 97 97 ILE N N 97 121.517 121.517 121.059 0.458 25104 13249 1 15 . 1 1 97 97 ILE HA H 97 4.173 4.173 4.016 0.157 25104 13250 1 15 . 1 1 97 97 ILE C C 97 174.196 174.196 174.431 -0.235 25104 13251 1 15 . 1 1 97 97 ILE CA C 97 59.398 59.398 60.550 -1.153 25104 13252 1 15 . 1 1 97 97 ILE CB C 97 37.922 37.922 36.733 1.189 25104 13253 1 15 . 1 1 97 97 ILE H H 97 6.826 6.826 7.644 -0.818 25104 13254 1 15 . 1 1 98 98 LEU N N 98 128.948 128.948 130.231 -1.283 25104 13255 1 15 . 1 1 98 98 LEU HA H 98 5.010 5.010 4.714 0.296 25104 13256 1 15 . 1 1 98 98 LEU C C 98 175.316 175.316 174.717 0.599 25104 13257 1 15 . 1 1 98 98 LEU CA C 98 53.350 53.350 53.340 0.010 25104 13258 1 15 . 1 1 98 98 LEU CB C 98 43.813 43.813 43.969 -0.156 25104 13259 1 15 . 1 1 98 98 LEU H H 98 7.907 7.907 8.131 -0.224 25104 13260 1 15 . 1 1 99 99 SER N N 99 118.834 118.834 121.891 -3.057 25104 13261 1 15 . 1 1 99 99 SER HA H 99 5.346 5.346 4.973 0.373 25104 13262 1 15 . 1 1 99 99 SER C C 99 175.732 175.732 172.914 2.818 25104 13263 1 15 . 1 1 99 99 SER CA C 99 55.011 55.011 57.124 -2.113 25104 13264 1 15 . 1 1 99 99 SER CB C 99 65.370 65.370 66.528 -1.157 25104 13265 1 15 . 1 1 99 99 SER H H 99 8.307 8.307 8.516 -0.209 25104 13266 1 15 . 1 1 100 100 MET N N 100 123.079 123.079 122.910 0.169 25104 13267 1 15 . 1 1 100 100 MET HA H 100 5.338 5.338 4.404 0.934 25104 13268 1 15 . 1 1 100 100 MET C C 100 178.920 178.920 175.184 3.736 25104 13269 1 15 . 1 1 100 100 MET CA C 100 53.853 53.853 55.706 -1.853 25104 13270 1 15 . 1 1 100 100 MET H H 100 8.563 8.563 8.391 0.172 25104 13271 1 15 . 1 1 101 101 ALA N N 101 126.225 126.225 124.070 2.155 25104 13272 1 15 . 1 1 101 101 ALA HA H 101 4.362 4.362 4.702 -0.340 25104 13273 1 15 . 1 1 101 101 ALA C C 101 176.471 176.471 176.203 0.268 25104 13274 1 15 . 1 1 101 101 ALA CA C 101 51.743 51.743 52.730 -0.987 25104 13275 1 15 . 1 1 101 101 ALA CB C 101 19.619 19.619 20.544 -0.926 25104 13276 1 15 . 1 1 101 101 ALA H H 101 8.114 8.114 8.095 0.019 25104 13277 1 15 . 1 1 102 102 ASN N N 102 113.398 113.398 119.514 -6.116 25104 13278 1 15 . 1 1 102 102 ASN HA H 102 4.647 4.647 4.733 -0.086 25104 13279 1 15 . 1 1 102 102 ASN C C 102 174.740 174.740 173.723 1.017 25104 13280 1 15 . 1 1 102 102 ASN CA C 102 54.102 54.102 52.592 1.510 25104 13281 1 15 . 1 1 102 102 ASN CB C 102 40.597 40.597 39.862 0.735 25104 13282 1 15 . 1 1 102 102 ASN H H 102 8.062 8.062 8.199 -0.137 25104 13283 1 15 . 1 1 103 103 ALA N N 103 123.487 123.487 120.071 3.416 25104 13284 1 15 . 1 1 103 103 ALA HA H 103 4.868 4.868 4.488 0.380 25104 13285 1 15 . 1 1 103 103 ALA C C 103 177.823 177.823 177.236 0.587 25104 13286 1 15 . 1 1 103 103 ALA CA C 103 50.380 50.380 53.345 -2.965 25104 13287 1 15 . 1 1 103 103 ALA CB C 103 19.295 19.295 19.721 -0.426 25104 13288 1 15 . 1 1 103 103 ALA H H 103 8.822 8.822 8.706 0.116 25104 13289 1 15 . 1 1 104 104 GLY N N 104 109.271 109.271 103.928 5.343 25104 13290 1 15 . 1 1 104 104 GLY CA C 104 43.559 43.559 44.446 -0.887 25104 13291 1 15 . 1 1 104 104 GLY H H 104 8.181 8.181 7.674 0.507 25104 13292 1 15 . 1 1 105 105 PRO HA H 105 4.385 4.385 4.700 -0.315 25104 13293 1 15 . 1 1 105 105 PRO C C 105 177.209 177.209 177.112 0.097 25104 13294 1 15 . 1 1 105 105 PRO CA C 105 63.976 63.976 63.366 0.610 25104 13295 1 15 . 1 1 105 105 PRO CB C 105 32.136 32.136 31.870 0.266 25104 13296 1 15 . 1 1 106 106 ASN N N 106 119.146 119.146 119.047 0.099 25104 13297 1 15 . 1 1 106 106 ASN HA H 106 4.052 4.052 4.367 -0.315 25104 13298 1 15 . 1 1 106 106 ASN C C 106 175.857 175.857 174.687 1.170 25104 13299 1 15 . 1 1 106 106 ASN CA C 106 54.279 54.279 54.740 -0.462 25104 13300 1 15 . 1 1 106 106 ASN CB C 106 37.248 37.248 37.816 -0.568 25104 13301 1 15 . 1 1 106 106 ASN H H 106 8.912 8.912 8.882 0.030 25104 13302 1 15 . 1 1 107 107 THR N N 107 110.101 110.101 112.518 -2.417 25104 13303 1 15 . 1 1 107 107 THR HA H 107 4.493 4.493 4.283 0.210 25104 13304 1 15 . 1 1 107 107 THR C C 107 174.713 174.713 174.185 0.528 25104 13305 1 15 . 1 1 107 107 THR CA C 107 60.294 60.294 63.070 -2.776 25104 13306 1 15 . 1 1 107 107 THR CB C 107 69.030 69.030 69.573 -0.543 25104 13307 1 15 . 1 1 107 107 THR H H 107 10.191 10.191 7.719 2.472 25104 13308 1 15 . 1 1 108 108 ASN N N 108 120.592 120.592 120.061 0.531 25104 13309 1 15 . 1 1 108 108 ASN HA H 108 4.210 4.210 4.248 -0.038 25104 13310 1 15 . 1 1 108 108 ASN C C 108 175.078 175.078 175.601 -0.523 25104 13311 1 15 . 1 1 108 108 ASN CA C 108 55.287 55.287 53.939 1.348 25104 13312 1 15 . 1 1 108 108 ASN CB C 108 39.036 39.036 38.721 0.315 25104 13313 1 15 . 1 1 108 108 ASN H H 108 7.410 7.410 7.389 0.021 25104 13314 1 15 . 1 1 109 109 GLY N N 109 110.835 110.835 110.932 -0.097 25104 13315 1 15 . 1 1 109 109 GLY C C 109 172.087 172.087 173.239 -1.152 25104 13316 1 15 . 1 1 109 109 GLY CA C 109 45.940 45.940 45.356 0.584 25104 13317 1 15 . 1 1 109 109 GLY H H 109 9.192 9.192 8.450 0.742 25104 13318 1 15 . 1 1 110 110 SER N N 110 117.149 117.149 115.991 1.158 25104 13319 1 15 . 1 1 110 110 SER HA H 110 4.751 4.751 4.953 -0.202 25104 13320 1 15 . 1 1 110 110 SER C C 110 177.075 177.075 173.638 3.437 25104 13321 1 15 . 1 1 110 110 SER CA C 110 57.526 57.526 57.189 0.337 25104 13322 1 15 . 1 1 110 110 SER CB C 110 66.180 66.180 65.289 0.891 25104 13323 1 15 . 1 1 110 110 SER H H 110 8.793 8.793 7.515 1.278 25104 13324 1 15 . 1 1 111 111 GLN N N 111 124.594 124.594 120.144 4.450 25104 13325 1 15 . 1 1 111 111 GLN HA H 111 4.225 4.225 3.940 0.285 25104 13326 1 15 . 1 1 111 111 GLN C C 111 179.174 179.174 174.944 4.230 25104 13327 1 15 . 1 1 111 111 GLN CA C 111 58.144 58.144 57.628 0.516 25104 13328 1 15 . 1 1 111 111 GLN CB C 111 31.558 31.558 28.743 2.815 25104 13329 1 15 . 1 1 111 111 GLN H H 111 8.438 8.438 8.125 0.313 25104 13330 1 15 . 1 1 112 112 PHE N N 112 118.008 118.008 113.775 4.233 25104 13331 1 15 . 1 1 112 112 PHE HA H 112 5.806 5.806 5.016 0.790 25104 13332 1 15 . 1 1 112 112 PHE C C 112 172.840 172.840 173.138 -0.298 25104 13333 1 15 . 1 1 112 112 PHE CA C 112 55.584 55.584 56.215 -0.631 25104 13334 1 15 . 1 1 112 112 PHE CB C 112 43.323 43.323 42.048 1.275 25104 13335 1 15 . 1 1 112 112 PHE H H 112 8.120 8.120 8.261 -0.141 25104 13336 1 15 . 1 1 113 113 PHE N N 113 116.406 116.406 116.944 -0.538 25104 13337 1 15 . 1 1 113 113 PHE HA H 113 5.739 5.739 5.460 0.279 25104 13338 1 15 . 1 1 113 113 PHE C C 113 175.349 175.349 174.154 1.195 25104 13339 1 15 . 1 1 113 113 PHE CA C 113 54.684 54.684 54.649 0.035 25104 13340 1 15 . 1 1 113 113 PHE CB C 113 42.825 42.825 41.833 0.992 25104 13341 1 15 . 1 1 113 113 PHE H H 113 9.832 9.832 8.674 1.158 25104 13342 1 15 . 1 1 114 114 ILE N N 114 118.683 118.683 121.653 -2.970 25104 13343 1 15 . 1 1 114 114 ILE HA H 114 4.842 4.842 4.891 -0.049 25104 13344 1 15 . 1 1 114 114 ILE C C 114 178.414 178.414 176.137 2.277 25104 13345 1 15 . 1 1 114 114 ILE CA C 114 60.265 60.265 59.896 0.369 25104 13346 1 15 . 1 1 114 114 ILE CB C 114 40.466 40.466 39.116 1.350 25104 13347 1 15 . 1 1 114 114 ILE H H 114 9.156 9.156 8.550 0.606 25104 13348 1 15 . 1 1 115 115 CYS N N 115 125.524 125.524 127.042 -1.518 25104 13349 1 15 . 1 1 115 115 CYS HA H 115 4.808 4.808 5.120 -0.312 25104 13350 1 15 . 1 1 115 115 CYS C C 115 177.658 177.658 176.166 1.492 25104 13351 1 15 . 1 1 115 115 CYS CA C 115 60.803 60.803 55.937 4.867 25104 13352 1 15 . 1 1 115 115 CYS CB C 115 28.723 28.723 27.273 1.450 25104 13353 1 15 . 1 1 115 115 CYS H H 115 9.616 9.616 8.912 0.704 25104 13354 1 15 . 1 1 116 116 THR N N 116 115.801 115.801 114.181 1.620 25104 13355 1 15 . 1 1 116 116 THR HA H 116 4.380 4.380 4.263 0.117 25104 13356 1 15 . 1 1 116 116 THR C C 116 178.496 178.496 174.490 4.006 25104 13357 1 15 . 1 1 116 116 THR CA C 116 60.844 60.844 63.034 -2.190 25104 13358 1 15 . 1 1 116 116 THR CB C 116 66.730 66.730 68.913 -2.183 25104 13359 1 15 . 1 1 116 116 THR H H 116 8.990 8.990 8.654 0.336 25104 13360 1 15 . 1 1 117 117 ALA N N 117 122.356 122.356 124.121 -1.765 25104 13361 1 15 . 1 1 117 117 ALA HA H 117 4.420 4.420 4.640 -0.220 25104 13362 1 15 . 1 1 117 117 ALA C C 117 176.114 176.114 175.455 0.659 25104 13363 1 15 . 1 1 117 117 ALA CA C 117 50.668 50.668 50.589 0.079 25104 13364 1 15 . 1 1 117 117 ALA CB C 117 22.795 22.795 21.348 1.447 25104 13365 1 15 . 1 1 117 117 ALA H H 117 7.641 7.641 7.555 0.086 25104 13366 1 15 . 1 1 118 118 LYS N N 118 119.855 119.855 119.535 0.320 25104 13367 1 15 . 1 1 118 118 LYS HA H 118 3.840 3.840 4.348 -0.508 25104 13368 1 15 . 1 1 118 118 LYS C C 118 177.211 177.211 176.273 0.938 25104 13369 1 15 . 1 1 118 118 LYS CA C 118 57.913 57.913 56.372 1.541 25104 13370 1 15 . 1 1 118 118 LYS CB C 118 32.708 32.708 30.089 2.619 25104 13371 1 15 . 1 1 118 118 LYS H H 118 8.693 8.693 8.583 0.110 25104 13372 1 15 . 1 1 119 119 THR N N 119 119.004 119.004 115.666 3.338 25104 13373 1 15 . 1 1 119 119 THR HA H 119 3.730 3.730 3.677 0.053 25104 13374 1 15 . 1 1 119 119 THR C C 119 177.928 177.928 174.683 3.245 25104 13375 1 15 . 1 1 119 119 THR CA C 119 57.301 57.301 60.079 -2.778 25104 13376 1 15 . 1 1 119 119 THR CB C 119 68.717 68.717 68.200 0.517 25104 13377 1 15 . 1 1 119 119 THR H H 119 7.373 7.373 8.122 -0.749 25104 13378 1 15 . 1 1 120 120 GLU N N 120 124.713 124.713 124.101 0.612 25104 13379 1 15 . 1 1 120 120 GLU HA H 120 4.162 4.162 4.058 0.104 25104 13380 1 15 . 1 1 120 120 GLU C C 120 178.190 178.190 177.657 0.533 25104 13381 1 15 . 1 1 120 120 GLU CA C 120 59.334 59.334 58.353 0.981 25104 13382 1 15 . 1 1 120 120 GLU CB C 120 29.322 29.322 29.416 -0.094 25104 13383 1 15 . 1 1 120 120 GLU H H 120 9.139 9.139 7.828 1.311 25104 13384 1 15 . 1 1 121 121 TRP N N 121 117.782 117.782 115.794 1.988 25104 13385 1 15 . 1 1 121 121 TRP HA H 121 4.716 4.716 4.528 0.188 25104 13386 1 15 . 1 1 121 121 TRP C C 121 177.244 177.244 176.259 0.985 25104 13387 1 15 . 1 1 121 121 TRP CA C 121 59.748 59.748 56.960 2.788 25104 13388 1 15 . 1 1 121 121 TRP CB C 121 26.947 26.947 28.456 -1.509 25104 13389 1 15 . 1 1 121 121 TRP H H 121 7.297 7.297 7.746 -0.449 25104 13390 1 15 . 1 1 122 122 LEU N N 122 119.806 119.806 118.426 1.380 25104 13391 1 15 . 1 1 122 122 LEU HA H 122 4.315 4.315 4.206 0.109 25104 13392 1 15 . 1 1 122 122 LEU C C 122 173.304 173.304 177.028 -3.724 25104 13393 1 15 . 1 1 122 122 LEU CA C 122 54.543 54.543 55.035 -0.492 25104 13394 1 15 . 1 1 122 122 LEU CB C 122 39.075 39.075 40.606 -1.531 25104 13395 1 15 . 1 1 122 122 LEU H H 122 7.037 7.037 6.812 0.225 25104 13396 1 15 . 1 1 123 123 ASP N N 123 122.205 122.205 120.802 1.403 25104 13397 1 15 . 1 1 123 123 ASP HA H 123 5.222 5.222 4.510 0.712 25104 13398 1 15 . 1 1 123 123 ASP C C 123 179.276 179.276 177.124 2.152 25104 13399 1 15 . 1 1 123 123 ASP CA C 123 55.889 55.889 56.100 -0.211 25104 13400 1 15 . 1 1 123 123 ASP CB C 123 39.517 39.517 40.736 -1.220 25104 13401 1 15 . 1 1 123 123 ASP H H 123 7.643 7.643 7.572 0.071 25104 13402 1 15 . 1 1 124 124 GLY N N 124 111.205 111.205 112.612 -1.407 25104 13403 1 15 . 1 1 124 124 GLY C C 124 173.148 173.148 174.076 -0.928 25104 13404 1 15 . 1 1 124 124 GLY CA C 124 45.114 45.114 44.734 0.380 25104 13405 1 15 . 1 1 124 124 GLY H H 124 9.550 9.550 8.440 1.110 25104 13406 1 15 . 1 1 125 125 LYS N N 125 115.408 115.408 121.543 -6.135 25104 13407 1 15 . 1 1 125 125 LYS HA H 125 4.173 4.173 4.471 -0.298 25104 13408 1 15 . 1 1 125 125 LYS C C 125 176.351 176.351 175.781 0.570 25104 13409 1 15 . 1 1 125 125 LYS CA C 125 56.341 56.341 55.452 0.889 25104 13410 1 15 . 1 1 125 125 LYS CB C 125 35.504 35.504 34.167 1.337 25104 13411 1 15 . 1 1 125 125 LYS H H 125 7.765 7.765 7.623 0.142 25104 13412 1 15 . 1 1 126 126 HIS N N 126 119.526 119.526 119.195 0.331 25104 13413 1 15 . 1 1 126 126 HIS HA H 126 4.863 4.863 4.623 0.240 25104 13414 1 15 . 1 1 126 126 HIS C C 126 174.784 174.784 175.196 -0.412 25104 13415 1 15 . 1 1 126 126 HIS CA C 126 54.923 54.923 57.015 -2.092 25104 13416 1 15 . 1 1 126 126 HIS CB C 126 31.675 31.675 30.451 1.224 25104 13417 1 15 . 1 1 126 126 HIS H H 126 7.600 7.600 8.641 -1.041 25104 13418 1 15 . 1 1 127 127 VAL N N 127 125.009 125.009 125.951 -0.942 25104 13419 1 15 . 1 1 127 127 VAL HA H 127 4.307 4.307 3.905 0.402 25104 13420 1 15 . 1 1 127 127 VAL C C 127 176.442 176.442 175.071 1.371 25104 13421 1 15 . 1 1 127 127 VAL CA C 127 63.893 63.893 62.886 1.007 25104 13422 1 15 . 1 1 127 127 VAL CB C 127 33.553 33.553 32.743 0.810 25104 13423 1 15 . 1 1 127 127 VAL H H 127 8.523 8.523 7.766 0.757 25104 13424 1 15 . 1 1 128 128 VAL N N 128 133.065 133.065 124.624 8.441 25104 13425 1 15 . 1 1 128 128 VAL HA H 128 4.176 4.176 3.732 0.444 25104 13426 1 15 . 1 1 128 128 VAL C C 128 176.113 176.113 175.800 0.313 25104 13427 1 15 . 1 1 128 128 VAL CA C 128 63.172 63.172 63.658 -0.486 25104 13428 1 15 . 1 1 128 128 VAL CB C 128 31.612 31.612 31.941 -0.329 25104 13429 1 15 . 1 1 128 128 VAL H H 128 9.474 9.474 8.022 1.452 25104 13430 1 15 . 1 1 129 129 PHE N N 129 117.892 117.892 118.246 -0.354 25104 13431 1 15 . 1 1 129 129 PHE HA H 129 5.308 5.308 4.986 0.322 25104 13432 1 15 . 1 1 129 129 PHE C C 129 173.725 173.725 174.017 -0.292 25104 13433 1 15 . 1 1 129 129 PHE CA C 129 55.969 55.969 57.050 -1.081 25104 13434 1 15 . 1 1 129 129 PHE CB C 129 42.581 42.581 40.734 1.847 25104 13435 1 15 . 1 1 129 129 PHE H H 129 8.138 8.138 7.873 0.265 25104 13436 1 15 . 1 1 130 130 GLY N N 130 110.747 110.747 106.286 4.461 25104 13437 1 15 . 1 1 130 130 GLY C C 130 171.591 171.591 172.000 -0.409 25104 13438 1 15 . 1 1 130 130 GLY CA C 130 46.505 46.505 43.303 3.202 25104 13439 1 15 . 1 1 130 130 GLY H H 130 7.356 7.356 7.106 0.250 25104 13440 1 15 . 1 1 131 131 LYS N N 131 115.453 115.453 121.070 -5.617 25104 13441 1 15 . 1 1 131 131 LYS HA H 131 5.246 5.246 4.879 0.367 25104 13442 1 15 . 1 1 131 131 LYS C C 131 176.109 176.109 174.598 1.511 25104 13443 1 15 . 1 1 131 131 LYS CA C 131 54.887 54.887 55.817 -0.930 25104 13444 1 15 . 1 1 131 131 LYS CB C 131 36.077 36.077 36.872 -0.795 25104 13445 1 15 . 1 1 131 131 LYS H H 131 8.390 8.390 7.963 0.427 25104 13446 1 15 . 1 1 132 132 VAL N N 132 124.311 124.311 128.172 -3.861 25104 13447 1 15 . 1 1 132 132 VAL HA H 132 3.955 3.955 4.021 -0.066 25104 13448 1 15 . 1 1 132 132 VAL C C 132 176.489 176.489 175.335 1.154 25104 13449 1 15 . 1 1 132 132 VAL CA C 132 64.284 64.284 63.208 1.076 25104 13450 1 15 . 1 1 132 132 VAL CB C 132 32.709 32.709 32.542 0.167 25104 13451 1 15 . 1 1 132 132 VAL H H 132 9.071 9.071 8.622 0.449 25104 13452 1 15 . 1 1 133 133 LYS N N 133 131.670 131.670 127.632 4.038 25104 13453 1 15 . 1 1 133 133 LYS HA H 133 4.483 4.483 4.492 -0.009 25104 13454 1 15 . 1 1 133 133 LYS C C 133 176.283 176.283 176.894 -0.611 25104 13455 1 15 . 1 1 133 133 LYS CA C 133 56.978 56.978 56.385 0.593 25104 13456 1 15 . 1 1 133 133 LYS CB C 133 34.028 34.028 33.628 0.400 25104 13457 1 15 . 1 1 133 133 LYS H H 133 9.494 9.494 8.748 0.746 25104 13458 1 15 . 1 1 134 134 GLU N N 134 118.417 118.417 120.232 -1.815 25104 13459 1 15 . 1 1 134 134 GLU HA H 134 4.639 4.639 4.588 0.051 25104 13460 1 15 . 1 1 134 134 GLU C C 134 175.925 175.925 175.632 0.293 25104 13461 1 15 . 1 1 134 134 GLU CA C 134 55.235 55.235 55.747 -0.512 25104 13462 1 15 . 1 1 134 134 GLU CB C 134 32.909 32.909 32.541 0.368 25104 13463 1 15 . 1 1 134 134 GLU H H 134 7.571 7.571 7.376 0.195 25104 13464 1 15 . 1 1 135 135 GLY N N 135 108.109 108.109 111.398 -3.289 25104 13465 1 15 . 1 1 135 135 GLY C C 135 178.060 178.060 175.433 2.627 25104 13466 1 15 . 1 1 135 135 GLY CA C 135 46.195 46.195 45.495 0.700 25104 13467 1 15 . 1 1 135 135 GLY H H 135 8.695 8.695 8.935 -0.240 25104 13468 1 15 . 1 1 136 136 MET N N 136 122.582 122.582 119.670 2.912 25104 13469 1 15 . 1 1 136 136 MET HA H 136 4.496 4.496 4.260 0.236 25104 13470 1 15 . 1 1 136 136 MET C C 136 178.649 178.649 176.952 1.697 25104 13471 1 15 . 1 1 136 136 MET CA C 136 56.829 56.829 58.083 -1.254 25104 13472 1 15 . 1 1 136 136 MET CB C 136 30.215 30.215 32.350 -2.135 25104 13473 1 15 . 1 1 136 136 MET H H 136 8.854 8.854 8.180 0.674 25104 13474 1 15 . 1 1 137 137 ASN N N 137 114.457 114.457 116.453 -1.996 25104 13475 1 15 . 1 1 137 137 ASN HA H 137 4.504 4.504 4.676 -0.172 25104 13476 1 15 . 1 1 137 137 ASN C C 137 178.441 178.441 177.561 0.880 25104 13477 1 15 . 1 1 137 137 ASN CA C 137 55.819 55.819 56.245 -0.426 25104 13478 1 15 . 1 1 137 137 ASN CB C 137 36.016 36.016 37.817 -1.801 25104 13479 1 15 . 1 1 137 137 ASN H H 137 8.932 8.932 8.730 0.202 25104 13480 1 15 . 1 1 138 138 ILE N N 138 124.190 124.190 120.056 4.134 25104 13481 1 15 . 1 1 138 138 ILE HA H 138 3.800 3.800 3.904 -0.104 25104 13482 1 15 . 1 1 138 138 ILE C C 138 178.595 178.595 177.625 0.970 25104 13483 1 15 . 1 1 138 138 ILE CA C 138 61.581 61.581 63.101 -1.520 25104 13484 1 15 . 1 1 138 138 ILE CB C 138 34.468 34.468 36.923 -2.455 25104 13485 1 15 . 1 1 138 138 ILE H H 138 7.686 7.686 7.553 0.133 25104 13486 1 15 . 1 1 139 139 VAL N N 139 121.912 121.912 120.470 1.442 25104 13487 1 15 . 1 1 139 139 VAL HA H 139 3.879 3.879 3.519 0.360 25104 13488 1 15 . 1 1 139 139 VAL C C 139 179.051 179.051 178.224 0.827 25104 13489 1 15 . 1 1 139 139 VAL CA C 139 66.206 66.206 67.236 -1.030 25104 13490 1 15 . 1 1 139 139 VAL CB C 139 31.195 31.195 31.422 -0.227 25104 13491 1 15 . 1 1 139 139 VAL H H 139 7.286 7.286 7.803 -0.517 25104 13492 1 15 . 1 1 140 140 GLU N N 140 117.357 117.357 118.870 -1.513 25104 13493 1 15 . 1 1 140 140 GLU HA H 140 4.095 4.095 4.031 0.064 25104 13494 1 15 . 1 1 140 140 GLU C C 140 180.486 180.486 178.761 1.725 25104 13495 1 15 . 1 1 140 140 GLU CA C 140 59.336 59.336 59.230 0.105 25104 13496 1 15 . 1 1 140 140 GLU CB C 140 30.199 30.199 29.340 0.859 25104 13497 1 15 . 1 1 140 140 GLU H H 140 8.309 8.309 7.960 0.349 25104 13498 1 15 . 1 1 141 141 ALA N N 141 121.133 121.133 121.618 -0.485 25104 13499 1 15 . 1 1 141 141 ALA HA H 141 4.118 4.118 4.124 -0.006 25104 13500 1 15 . 1 1 141 141 ALA C C 141 181.524 181.524 179.721 1.803 25104 13501 1 15 . 1 1 141 141 ALA CA C 141 54.771 54.771 54.754 0.017 25104 13502 1 15 . 1 1 141 141 ALA CB C 141 18.207 18.207 18.521 -0.314 25104 13503 1 15 . 1 1 141 141 ALA H H 141 7.539 7.539 7.628 -0.089 25104 13504 1 15 . 1 1 142 142 MET N N 142 117.513 117.513 116.168 1.345 25104 13505 1 15 . 1 1 142 142 MET HA H 142 3.993 3.993 4.600 -0.607 25104 13506 1 15 . 1 1 142 142 MET C C 142 178.862 178.862 178.450 0.412 25104 13507 1 15 . 1 1 142 142 MET CA C 142 59.678 59.678 58.667 1.011 25104 13508 1 15 . 1 1 142 142 MET CB C 142 33.723 33.723 32.416 1.307 25104 13509 1 15 . 1 1 142 142 MET H H 142 8.284 8.284 8.209 0.075 25104 13510 1 15 . 1 1 143 143 GLU N N 143 116.365 116.365 120.817 -4.452 25104 13511 1 15 . 1 1 143 143 GLU HA H 143 3.772 3.772 4.094 -0.322 25104 13512 1 15 . 1 1 143 143 GLU C C 143 179.051 179.051 178.825 0.226 25104 13513 1 15 . 1 1 143 143 GLU CA C 143 59.345 59.345 59.048 0.297 25104 13514 1 15 . 1 1 143 143 GLU CB C 143 30.470 30.470 29.452 1.018 25104 13515 1 15 . 1 1 143 143 GLU H H 143 7.853 7.853 8.055 -0.202 25104 13516 1 15 . 1 1 144 144 ARG N N 144 114.753 114.753 117.708 -2.955 25104 13517 1 15 . 1 1 144 144 ARG HA H 144 3.978 3.978 4.036 -0.058 25104 13518 1 15 . 1 1 144 144 ARG C C 144 178.222 178.222 177.782 0.440 25104 13519 1 15 . 1 1 144 144 ARG CA C 144 57.669 57.669 58.167 -0.498 25104 13520 1 15 . 1 1 144 144 ARG CB C 144 29.523 29.523 29.869 -0.346 25104 13521 1 15 . 1 1 144 144 ARG H H 144 7.082 7.082 7.299 -0.217 25104 13522 1 15 . 1 1 145 145 PHE N N 145 115.388 115.388 116.384 -0.996 25104 13523 1 15 . 1 1 145 145 PHE HA H 145 4.851 4.851 4.554 0.297 25104 13524 1 15 . 1 1 145 145 PHE C C 145 176.868 176.868 176.078 0.790 25104 13525 1 15 . 1 1 145 145 PHE CA C 145 57.717 57.717 59.361 -1.644 25104 13526 1 15 . 1 1 145 145 PHE CB C 145 38.998 38.998 38.893 0.105 25104 13527 1 15 . 1 1 145 145 PHE H H 145 7.651 7.651 7.323 0.328 25104 13528 1 15 . 1 1 146 146 GLY N N 146 104.842 104.842 105.825 -0.983 25104 13529 1 15 . 1 1 146 146 GLY C C 146 172.946 172.946 173.178 -0.232 25104 13530 1 15 . 1 1 146 146 GLY CA C 146 44.065 44.065 44.296 -0.231 25104 13531 1 15 . 1 1 146 146 GLY H H 146 7.551 7.551 7.528 0.023 25104 13532 1 15 . 1 1 147 147 SER N N 147 110.079 110.079 113.097 -3.018 25104 13533 1 15 . 1 1 147 147 SER HA H 147 4.813 4.813 4.830 -0.017 25104 13534 1 15 . 1 1 147 147 SER C C 147 176.384 176.384 175.889 0.495 25104 13535 1 15 . 1 1 147 147 SER CA C 147 58.165 58.165 55.924 2.241 25104 13536 1 15 . 1 1 147 147 SER CB C 147 65.804 65.804 64.966 0.838 25104 13537 1 15 . 1 1 147 147 SER H H 147 8.229 8.229 8.228 0.001 25104 13538 1 15 . 1 1 148 148 ARG N N 148 120.299 120.299 120.964 -0.665 25104 13539 1 15 . 1 1 148 148 ARG HA H 148 4.221 4.221 4.160 0.061 25104 13540 1 15 . 1 1 148 148 ARG C C 148 177.709 177.709 176.714 0.995 25104 13541 1 15 . 1 1 148 148 ARG CA C 148 59.810 59.810 58.069 1.741 25104 13542 1 15 . 1 1 148 148 ARG CB C 148 29.896 29.896 29.731 0.165 25104 13543 1 15 . 1 1 148 148 ARG H H 148 8.850 8.850 8.783 0.067 25104 13544 1 15 . 1 1 149 149 ASN N N 149 111.689 111.689 115.051 -3.362 25104 13545 1 15 . 1 1 149 149 ASN HA H 149 4.901 4.901 4.707 0.194 25104 13546 1 15 . 1 1 149 149 ASN C C 149 177.708 177.708 176.049 1.659 25104 13547 1 15 . 1 1 149 149 ASN CA C 149 52.305 52.305 52.845 -0.540 25104 13548 1 15 . 1 1 149 149 ASN CB C 149 38.477 38.477 38.860 -0.383 25104 13549 1 15 . 1 1 149 149 ASN H H 149 7.891 7.891 7.646 0.245 25104 13550 1 15 . 1 1 150 150 GLY N N 150 110.138 110.138 108.639 1.499 25104 13551 1 15 . 1 1 150 150 GLY C C 150 174.368 174.368 173.470 0.898 25104 13552 1 15 . 1 1 150 150 GLY CA C 150 45.257 45.257 45.048 0.209 25104 13553 1 15 . 1 1 150 150 GLY H H 150 8.087 8.087 8.167 -0.080 25104 13554 1 15 . 1 1 151 151 LYS N N 151 119.859 119.859 124.520 -4.661 25104 13555 1 15 . 1 1 151 151 LYS HA H 151 4.466 4.466 4.277 0.189 25104 13556 1 15 . 1 1 151 151 LYS C C 151 179.533 179.533 176.145 3.388 25104 13557 1 15 . 1 1 151 151 LYS CA C 151 57.088 57.088 56.658 0.430 25104 13558 1 15 . 1 1 151 151 LYS CB C 151 32.435 32.435 32.639 -0.204 25104 13559 1 15 . 1 1 151 151 LYS H H 151 7.534 7.534 7.513 0.021 25104 13560 1 15 . 1 1 152 152 THR N N 152 116.442 116.442 123.986 -7.544 25104 13561 1 15 . 1 1 152 152 THR HA H 152 5.579 5.579 4.625 0.954 25104 13562 1 15 . 1 1 152 152 THR C C 152 176.969 176.969 175.097 1.872 25104 13563 1 15 . 1 1 152 152 THR CA C 152 60.097 60.097 62.584 -2.486 25104 13564 1 15 . 1 1 152 152 THR CB C 152 71.324 71.324 69.401 1.923 25104 13565 1 15 . 1 1 152 152 THR H H 152 8.837 8.837 8.259 0.578 25104 13566 1 15 . 1 1 153 153 SER N N 153 117.113 117.113 121.254 -4.141 25104 13567 1 15 . 1 1 153 153 SER HA H 153 4.574 4.574 4.273 0.301 25104 13568 1 15 . 1 1 153 153 SER C C 153 175.737 175.737 174.770 0.967 25104 13569 1 15 . 1 1 153 153 SER CA C 153 58.222 58.222 60.561 -2.339 25104 13570 1 15 . 1 1 153 153 SER CB C 153 63.922 63.922 63.635 0.287 25104 13571 1 15 . 1 1 153 153 SER H H 153 9.424 9.424 8.692 0.732 25104 13572 1 15 . 1 1 154 154 LYS N N 154 119.347 119.347 120.989 -1.642 25104 13573 1 15 . 1 1 154 154 LYS HA H 154 4.594 4.594 4.365 0.229 25104 13574 1 15 . 1 1 154 154 LYS C C 154 175.436 175.436 176.177 -0.741 25104 13575 1 15 . 1 1 154 154 LYS CA C 154 54.578 54.578 54.107 0.471 25104 13576 1 15 . 1 1 154 154 LYS CB C 154 38.443 38.443 34.181 4.262 25104 13577 1 15 . 1 1 154 154 LYS H H 154 7.566 7.566 7.701 -0.135 25104 13578 1 15 . 1 1 155 155 LYS N N 155 121.869 121.869 124.852 -2.983 25104 13579 1 15 . 1 1 155 155 LYS HA H 155 4.348 4.348 4.475 -0.127 25104 13580 1 15 . 1 1 155 155 LYS C C 155 176.946 176.946 175.623 1.323 25104 13581 1 15 . 1 1 155 155 LYS CA C 155 56.325 56.325 54.922 1.403 25104 13582 1 15 . 1 1 155 155 LYS CB C 155 32.136 32.136 31.159 0.978 25104 13583 1 15 . 1 1 155 155 LYS H H 155 8.820 8.820 8.307 0.513 25104 13584 1 15 . 1 1 156 156 ILE N N 156 134.145 134.145 127.364 6.781 25104 13585 1 15 . 1 1 156 156 ILE HA H 156 5.134 5.134 4.941 0.193 25104 13586 1 15 . 1 1 156 156 ILE C C 156 177.451 177.451 175.803 1.648 25104 13587 1 15 . 1 1 156 156 ILE CA C 156 59.538 59.538 60.747 -1.209 25104 13588 1 15 . 1 1 156 156 ILE CB C 156 37.167 37.167 37.899 -0.732 25104 13589 1 15 . 1 1 156 156 ILE H H 156 9.609 9.609 8.042 1.567 25104 13590 1 15 . 1 1 157 157 THR N N 157 117.447 117.447 117.928 -0.481 25104 13591 1 15 . 1 1 157 157 THR HA H 157 5.311 5.311 5.231 0.080 25104 13592 1 15 . 1 1 157 157 THR C C 157 174.572 174.572 174.553 0.019 25104 13593 1 15 . 1 1 157 157 THR CA C 157 59.679 59.679 59.088 0.591 25104 13594 1 15 . 1 1 157 157 THR CB C 157 72.708 72.708 71.712 0.996 25104 13595 1 15 . 1 1 157 157 THR H H 157 9.281 9.281 8.759 0.522 25104 13596 1 15 . 1 1 158 158 ILE N N 158 121.950 121.950 123.449 -1.499 25104 13597 1 15 . 1 1 158 158 ILE HA H 158 4.293 4.293 4.276 0.017 25104 13598 1 15 . 1 1 158 158 ILE C C 158 175.631 175.631 176.519 -0.888 25104 13599 1 15 . 1 1 158 158 ILE CA C 158 60.992 60.992 61.979 -0.987 25104 13600 1 15 . 1 1 158 158 ILE CB C 158 36.826 36.826 36.460 0.366 25104 13601 1 15 . 1 1 158 158 ILE H H 158 8.624 8.624 8.250 0.374 25104 13602 1 15 . 1 1 159 159 ALA N N 159 132.727 132.727 130.263 2.464 25104 13603 1 15 . 1 1 159 159 ALA HA H 159 4.179 4.179 4.053 0.126 25104 13604 1 15 . 1 1 159 159 ALA C C 159 179.489 179.489 176.821 2.668 25104 13605 1 15 . 1 1 159 159 ALA CA C 159 54.243 54.243 54.524 -0.281 25104 13606 1 15 . 1 1 159 159 ALA CB C 159 18.804 18.804 19.451 -0.646 25104 13607 1 15 . 1 1 159 159 ALA H H 159 8.910 8.910 8.722 0.188 25104 13608 1 15 . 1 1 160 160 ASP N N 160 111.561 111.561 112.089 -0.528 25104 13609 1 15 . 1 1 160 160 ASP HA H 160 4.937 4.937 4.899 0.038 25104 13610 1 15 . 1 1 160 160 ASP C C 160 173.920 173.920 174.176 -0.256 25104 13611 1 15 . 1 1 160 160 ASP CA C 160 52.873 52.873 53.945 -1.072 25104 13612 1 15 . 1 1 160 160 ASP CB C 160 43.620 43.620 43.627 -0.007 25104 13613 1 15 . 1 1 160 160 ASP H H 160 8.107 8.107 7.740 0.367 25104 13614 1 15 . 1 1 161 161 CYS N N 161 116.145 116.145 119.632 -3.487 25104 13615 1 15 . 1 1 161 161 CYS HA H 161 4.626 4.626 5.761 -1.135 25104 13616 1 15 . 1 1 161 161 CYS C C 161 173.426 173.426 174.601 -1.175 25104 13617 1 15 . 1 1 161 161 CYS CA C 161 55.518 55.518 56.844 -1.326 25104 13618 1 15 . 1 1 161 161 CYS CB C 161 31.463 31.463 31.964 -0.501 25104 13619 1 15 . 1 1 161 161 CYS H H 161 8.640 8.640 8.641 -0.001 25104 13620 1 15 . 1 1 162 162 GLY N N 162 104.114 104.114 108.376 -4.262 25104 13621 1 15 . 1 1 162 162 GLY C C 162 171.116 171.116 173.205 -2.089 25104 13622 1 15 . 1 1 162 162 GLY CA C 162 45.436 45.436 44.741 0.695 25104 13623 1 15 . 1 1 162 162 GLY H H 162 6.889 6.889 8.802 -1.913 25104 13624 1 15 . 1 1 163 163 GLN N N 163 121.022 121.022 118.792 2.230 25104 13625 1 15 . 1 1 163 163 GLN HA H 163 5.150 5.150 4.176 0.974 25104 13626 1 15 . 1 1 163 163 GLN C C 163 176.548 176.548 175.295 1.253 25104 13627 1 15 . 1 1 163 163 GLN CA C 163 54.794 54.794 56.385 -1.591 25104 13628 1 15 . 1 1 163 163 GLN CB C 163 30.765 30.765 29.113 1.651 25104 13629 1 15 . 1 1 163 163 GLN H H 163 9.062 9.062 7.999 1.063 25104 13630 1 15 . 1 1 164 164 LEU N N 164 126.034 126.034 125.914 0.120 25104 13631 1 15 . 1 1 164 164 LEU HA H 164 4.641 4.641 4.386 0.255 25104 13632 1 15 . 1 1 164 164 LEU C C 164 177.108 177.108 175.850 1.258 25104 13633 1 15 . 1 1 164 164 LEU CA C 164 55.036 55.036 54.751 0.285 25104 13634 1 15 . 1 1 164 164 LEU CB C 164 43.560 43.560 41.682 1.878 25104 13635 1 15 . 1 1 164 164 LEU H H 164 8.639 8.639 8.339 0.300 25104 13636 1 16 . 1 1 2 2 VAL N N 2 111.261 111.261 122.341 -11.080 25104 13637 1 16 . 1 1 2 2 VAL HA H 2 4.126 4.126 4.278 -0.152 25104 13638 1 16 . 1 1 2 2 VAL C C 2 176.404 176.404 175.148 1.256 25104 13639 1 16 . 1 1 2 2 VAL CA C 2 61.417 61.417 62.228 -0.811 25104 13640 1 16 . 1 1 2 2 VAL CB C 2 33.763 33.763 32.295 1.468 25104 13641 1 16 . 1 1 2 2 VAL H H 2 8.447 8.447 8.211 0.236 25104 13642 1 16 . 1 1 3 3 ASN N N 3 126.056 126.056 120.733 5.323 25104 13643 1 16 . 1 1 3 3 ASN HA H 3 5.205 5.205 4.687 0.518 25104 13644 1 16 . 1 1 3 3 ASN CA C 3 50.987 50.987 52.575 -1.587 25104 13645 1 16 . 1 1 3 3 ASN CB C 3 38.031 38.031 38.614 -0.583 25104 13646 1 16 . 1 1 3 3 ASN H H 3 8.666 8.666 7.934 0.732 25104 13647 1 16 . 1 1 4 4 PRO HA H 4 4.818 4.818 4.530 0.288 25104 13648 1 16 . 1 1 4 4 PRO C C 4 176.242 176.242 175.831 0.411 25104 13649 1 16 . 1 1 4 4 PRO CA C 4 62.832 62.832 62.826 0.006 25104 13650 1 16 . 1 1 4 4 PRO CB C 4 33.162 33.162 32.319 0.842 25104 13651 1 16 . 1 1 5 5 THR N N 5 115.265 115.265 118.982 -3.717 25104 13652 1 16 . 1 1 5 5 THR HA H 5 5.759 5.759 5.092 0.667 25104 13653 1 16 . 1 1 5 5 THR C C 5 176.483 176.483 174.043 2.440 25104 13654 1 16 . 1 1 5 5 THR CA C 5 60.867 60.867 61.557 -0.690 25104 13655 1 16 . 1 1 5 5 THR CB C 5 71.050 71.050 71.305 -0.255 25104 13656 1 16 . 1 1 5 5 THR H H 5 8.787 8.787 8.197 0.590 25104 13657 1 16 . 1 1 6 6 VAL N N 6 120.640 120.640 121.616 -0.976 25104 13658 1 16 . 1 1 6 6 VAL HA H 6 5.379 5.379 4.468 0.911 25104 13659 1 16 . 1 1 6 6 VAL C C 6 174.710 174.710 173.519 1.191 25104 13660 1 16 . 1 1 6 6 VAL CA C 6 58.881 58.881 60.532 -1.651 25104 13661 1 16 . 1 1 6 6 VAL CB C 6 36.180 36.180 33.606 2.574 25104 13662 1 16 . 1 1 6 6 VAL H H 6 8.805 8.805 8.738 0.067 25104 13663 1 16 . 1 1 7 7 PHE N N 7 119.359 119.359 125.786 -6.427 25104 13664 1 16 . 1 1 7 7 PHE HA H 7 5.948 5.948 5.177 0.771 25104 13665 1 16 . 1 1 7 7 PHE C C 7 173.634 173.634 173.255 0.379 25104 13666 1 16 . 1 1 7 7 PHE CA C 7 55.925 55.925 55.603 0.322 25104 13667 1 16 . 1 1 7 7 PHE CB C 7 43.166 43.166 42.687 0.479 25104 13668 1 16 . 1 1 7 7 PHE H H 7 8.995 8.995 8.039 0.956 25104 13669 1 16 . 1 1 8 8 PHE N N 8 117.097 117.097 122.897 -5.800 25104 13670 1 16 . 1 1 8 8 PHE HA H 8 5.367 5.367 5.077 0.290 25104 13671 1 16 . 1 1 8 8 PHE C C 8 176.000 176.000 173.971 2.029 25104 13672 1 16 . 1 1 8 8 PHE CA C 8 53.460 53.460 55.460 -2.000 25104 13673 1 16 . 1 1 8 8 PHE CB C 8 42.791 42.791 43.357 -0.566 25104 13674 1 16 . 1 1 8 8 PHE H H 8 9.571 9.571 8.502 1.069 25104 13675 1 16 . 1 1 9 9 ASP N N 9 124.287 124.287 122.061 2.226 25104 13676 1 16 . 1 1 9 9 ASP HA H 9 5.585 5.585 5.019 0.566 25104 13677 1 16 . 1 1 9 9 ASP C C 9 176.286 176.286 174.766 1.520 25104 13678 1 16 . 1 1 9 9 ASP CA C 9 54.831 54.831 53.841 0.990 25104 13679 1 16 . 1 1 9 9 ASP CB C 9 41.366 41.366 43.141 -1.775 25104 13680 1 16 . 1 1 9 9 ASP H H 9 9.301 9.301 8.738 0.563 25104 13681 1 16 . 1 1 10 10 ILE N N 10 124.286 124.286 123.658 0.628 25104 13682 1 16 . 1 1 10 10 ILE HA H 10 5.213 5.213 4.195 1.018 25104 13683 1 16 . 1 1 10 10 ILE C C 10 177.031 177.031 174.733 2.298 25104 13684 1 16 . 1 1 10 10 ILE CA C 10 58.233 58.233 59.299 -1.066 25104 13685 1 16 . 1 1 10 10 ILE CB C 10 37.769 37.769 37.338 0.431 25104 13686 1 16 . 1 1 10 10 ILE H H 10 9.059 9.059 8.324 0.735 25104 13687 1 16 . 1 1 11 11 ALA N N 11 132.503 132.503 130.931 1.572 25104 13688 1 16 . 1 1 11 11 ALA HA H 11 5.216 5.216 4.975 0.241 25104 13689 1 16 . 1 1 11 11 ALA C C 11 175.928 175.928 175.294 0.634 25104 13690 1 16 . 1 1 11 11 ALA CA C 11 50.948 50.948 50.394 0.554 25104 13691 1 16 . 1 1 11 11 ALA CB C 11 22.804 22.804 22.130 0.674 25104 13692 1 16 . 1 1 11 11 ALA H H 11 9.642 9.642 8.766 0.876 25104 13693 1 16 . 1 1 12 12 VAL N N 12 118.551 118.551 124.328 -5.777 25104 13694 1 16 . 1 1 12 12 VAL HA H 12 4.578 4.578 3.990 0.588 25104 13695 1 16 . 1 1 12 12 VAL C C 12 177.347 177.347 175.643 1.704 25104 13696 1 16 . 1 1 12 12 VAL CA C 12 60.457 60.457 61.750 -1.293 25104 13697 1 16 . 1 1 12 12 VAL CB C 12 33.301 33.301 31.623 1.678 25104 13698 1 16 . 1 1 12 12 VAL H H 12 8.984 8.984 8.399 0.585 25104 13699 1 16 . 1 1 13 13 ASP N N 13 131.009 131.009 127.973 3.036 25104 13700 1 16 . 1 1 13 13 ASP HA H 13 4.359 4.359 4.239 0.120 25104 13701 1 16 . 1 1 13 13 ASP C C 13 176.795 176.795 176.348 0.447 25104 13702 1 16 . 1 1 13 13 ASP CA C 13 55.880 55.880 55.434 0.446 25104 13703 1 16 . 1 1 13 13 ASP CB C 13 39.999 39.999 39.257 0.742 25104 13704 1 16 . 1 1 13 13 ASP H H 13 9.868 9.868 8.873 0.995 25104 13705 1 16 . 1 1 14 14 GLY N N 14 101.848 101.848 104.773 -2.925 25104 13706 1 16 . 1 1 14 14 GLY C C 14 174.700 174.700 174.354 0.346 25104 13707 1 16 . 1 1 14 14 GLY CA C 14 45.303 45.303 45.106 0.197 25104 13708 1 16 . 1 1 14 14 GLY H H 14 8.578 8.578 8.362 0.216 25104 13709 1 16 . 1 1 15 15 GLU N N 15 123.331 123.331 122.523 0.808 25104 13710 1 16 . 1 1 15 15 GLU HA H 15 4.891 4.891 4.784 0.107 25104 13711 1 16 . 1 1 15 15 GLU CA C 15 52.932 52.932 53.057 -0.125 25104 13712 1 16 . 1 1 15 15 GLU CB C 15 30.468 30.468 29.790 0.678 25104 13713 1 16 . 1 1 15 15 GLU H H 15 8.086 8.086 7.660 0.426 25104 13714 1 16 . 1 1 16 16 PRO HA H 16 4.240 4.240 4.469 -0.229 25104 13715 1 16 . 1 1 16 16 PRO C C 16 177.072 177.072 176.310 0.762 25104 13716 1 16 . 1 1 16 16 PRO CA C 16 64.838 64.838 63.298 1.540 25104 13717 1 16 . 1 1 16 16 PRO CB C 16 32.368 32.368 32.014 0.354 25104 13718 1 16 . 1 1 17 17 LEU N N 17 126.051 126.051 126.255 -0.204 25104 13719 1 16 . 1 1 17 17 LEU HA H 17 4.739 4.739 4.291 0.448 25104 13720 1 16 . 1 1 17 17 LEU C C 17 176.975 176.975 176.602 0.373 25104 13721 1 16 . 1 1 17 17 LEU CA C 17 55.511 55.511 55.535 -0.024 25104 13722 1 16 . 1 1 17 17 LEU CB C 17 44.257 44.257 42.960 1.297 25104 13723 1 16 . 1 1 17 17 LEU H H 17 9.237 9.237 8.438 0.799 25104 13724 1 16 . 1 1 18 18 GLY N N 18 102.496 102.496 105.428 -2.932 25104 13725 1 16 . 1 1 18 18 GLY C C 18 170.997 170.997 171.497 -0.500 25104 13726 1 16 . 1 1 18 18 GLY CA C 18 44.713 44.713 44.972 -0.259 25104 13727 1 16 . 1 1 18 18 GLY H H 18 7.303 7.303 7.700 -0.397 25104 13728 1 16 . 1 1 19 19 ARG N N 19 121.330 121.330 119.047 2.283 25104 13729 1 16 . 1 1 19 19 ARG HA H 19 5.665 5.665 4.628 1.037 25104 13730 1 16 . 1 1 19 19 ARG C C 19 176.011 176.011 174.377 1.634 25104 13731 1 16 . 1 1 19 19 ARG CA C 19 55.106 55.106 55.083 0.023 25104 13732 1 16 . 1 1 19 19 ARG CB C 19 33.587 33.587 33.543 0.044 25104 13733 1 16 . 1 1 19 19 ARG H H 19 8.348 8.348 8.326 0.022 25104 13734 1 16 . 1 1 20 20 VAL N N 20 126.859 126.859 121.144 5.715 25104 13735 1 16 . 1 1 20 20 VAL HA H 20 4.650 4.650 4.559 0.091 25104 13736 1 16 . 1 1 20 20 VAL C C 20 174.836 174.836 173.841 0.995 25104 13737 1 16 . 1 1 20 20 VAL CA C 20 59.966 59.966 61.005 -1.039 25104 13738 1 16 . 1 1 20 20 VAL CB C 20 35.034 35.034 35.840 -0.806 25104 13739 1 16 . 1 1 20 20 VAL H H 20 9.400 9.400 8.463 0.937 25104 13740 1 16 . 1 1 21 21 SER N N 21 120.319 120.319 120.365 -0.046 25104 13741 1 16 . 1 1 21 21 SER HA H 21 5.565 5.565 5.438 0.127 25104 13742 1 16 . 1 1 21 21 SER C C 21 174.694 174.694 173.498 1.196 25104 13743 1 16 . 1 1 21 21 SER CA C 21 55.462 55.462 56.017 -0.555 25104 13744 1 16 . 1 1 21 21 SER CB C 21 66.546 66.546 64.837 1.709 25104 13745 1 16 . 1 1 21 21 SER H H 21 8.791 8.791 8.457 0.334 25104 13746 1 16 . 1 1 22 22 PHE N N 22 119.239 119.239 125.954 -6.715 25104 13747 1 16 . 1 1 22 22 PHE HA H 22 5.279 5.279 4.848 0.431 25104 13748 1 16 . 1 1 22 22 PHE C C 22 176.190 176.190 174.544 1.646 25104 13749 1 16 . 1 1 22 22 PHE CA C 22 55.882 55.882 56.601 -0.719 25104 13750 1 16 . 1 1 22 22 PHE CB C 22 42.673 42.673 41.481 1.192 25104 13751 1 16 . 1 1 22 22 PHE H H 22 9.553 9.553 9.233 0.320 25104 13752 1 16 . 1 1 23 23 GLU N N 23 123.308 123.308 121.573 1.735 25104 13753 1 16 . 1 1 23 23 GLU HA H 23 4.797 4.797 4.667 0.130 25104 13754 1 16 . 1 1 23 23 GLU C C 23 175.673 175.673 175.299 0.374 25104 13755 1 16 . 1 1 23 23 GLU CA C 23 55.119 55.119 54.715 0.404 25104 13756 1 16 . 1 1 23 23 GLU CB C 23 32.058 32.058 32.056 0.001 25104 13757 1 16 . 1 1 23 23 GLU H H 23 8.791 8.791 8.922 -0.131 25104 13758 1 16 . 1 1 24 24 LEU N N 24 122.539 122.539 126.446 -3.907 25104 13759 1 16 . 1 1 24 24 LEU HA H 24 4.749 4.749 4.619 0.130 25104 13760 1 16 . 1 1 24 24 LEU C C 24 178.229 178.229 176.908 1.321 25104 13761 1 16 . 1 1 24 24 LEU CA C 24 51.899 51.899 53.955 -2.056 25104 13762 1 16 . 1 1 24 24 LEU CB C 24 43.248 43.248 42.785 0.463 25104 13763 1 16 . 1 1 24 24 LEU H H 24 8.198 8.198 8.923 -0.725 25104 13764 1 16 . 1 1 25 25 PHE N N 25 124.715 124.715 122.947 1.768 25104 13765 1 16 . 1 1 25 25 PHE HA H 25 5.171 5.171 4.798 0.373 25104 13766 1 16 . 1 1 25 25 PHE C C 25 177.485 177.485 175.620 1.865 25104 13767 1 16 . 1 1 25 25 PHE CA C 25 54.699 54.699 57.153 -2.454 25104 13768 1 16 . 1 1 25 25 PHE CB C 25 36.100 36.100 36.896 -0.796 25104 13769 1 16 . 1 1 25 25 PHE H H 25 8.864 8.864 9.219 -0.355 25104 13770 1 16 . 1 1 26 26 ALA N N 26 128.663 128.663 126.154 2.509 25104 13771 1 16 . 1 1 26 26 ALA HA H 26 3.838 3.838 4.190 -0.352 25104 13772 1 16 . 1 1 26 26 ALA C C 26 177.291 177.291 177.793 -0.502 25104 13773 1 16 . 1 1 26 26 ALA CA C 26 54.316 54.316 54.385 -0.069 25104 13774 1 16 . 1 1 26 26 ALA CB C 26 19.002 19.002 18.632 0.370 25104 13775 1 16 . 1 1 26 26 ALA H H 26 8.480 8.480 7.870 0.610 25104 13776 1 16 . 1 1 27 27 ASP N N 27 114.191 114.191 116.289 -2.098 25104 13777 1 16 . 1 1 27 27 ASP HA H 27 4.197 4.197 4.504 -0.307 25104 13778 1 16 . 1 1 27 27 ASP C C 27 177.976 177.976 176.971 1.005 25104 13779 1 16 . 1 1 27 27 ASP CA C 27 55.410 55.410 55.444 -0.034 25104 13780 1 16 . 1 1 27 27 ASP CB C 27 38.821 38.821 40.398 -1.577 25104 13781 1 16 . 1 1 27 27 ASP H H 27 9.145 9.145 8.472 0.673 25104 13782 1 16 . 1 1 28 28 LYS N N 28 118.107 118.107 118.948 -0.841 25104 13783 1 16 . 1 1 28 28 LYS HA H 28 4.599 4.599 4.459 0.140 25104 13784 1 16 . 1 1 28 28 LYS C C 28 177.840 177.840 177.154 0.686 25104 13785 1 16 . 1 1 28 28 LYS CA C 28 56.262 56.262 57.431 -1.169 25104 13786 1 16 . 1 1 28 28 LYS CB C 28 36.006 36.006 35.128 0.878 25104 13787 1 16 . 1 1 28 28 LYS H H 28 7.569 7.569 7.649 -0.081 25104 13788 1 16 . 1 1 29 29 VAL N N 29 114.551 114.551 114.045 0.506 25104 13789 1 16 . 1 1 29 29 VAL HA H 29 4.487 4.487 4.778 -0.291 25104 13790 1 16 . 1 1 29 29 VAL CA C 29 58.309 58.309 59.098 -0.789 25104 13791 1 16 . 1 1 29 29 VAL CB C 29 32.078 32.078 32.499 -0.421 25104 13792 1 16 . 1 1 29 29 VAL H H 29 8.364 8.364 8.098 0.266 25104 13793 1 16 . 1 1 30 30 PRO HA H 30 4.450 4.450 4.313 0.137 25104 13794 1 16 . 1 1 30 30 PRO C C 30 181.892 181.892 178.418 3.474 25104 13795 1 16 . 1 1 30 30 PRO CA C 30 66.227 66.227 65.879 0.348 25104 13796 1 16 . 1 1 30 30 PRO CB C 30 31.547 31.547 31.730 -0.183 25104 13797 1 16 . 1 1 31 31 LYS N N 31 123.785 123.785 118.307 5.478 25104 13798 1 16 . 1 1 31 31 LYS HA H 31 4.105 4.105 4.119 -0.014 25104 13799 1 16 . 1 1 31 31 LYS C C 31 182.749 182.749 178.354 4.395 25104 13800 1 16 . 1 1 31 31 LYS CA C 31 61.057 61.057 59.823 1.234 25104 13801 1 16 . 1 1 31 31 LYS CB C 31 32.468 32.468 32.131 0.337 25104 13802 1 16 . 1 1 31 31 LYS H H 31 10.684 10.684 7.983 2.701 25104 13803 1 16 . 1 1 32 32 THR N N 32 124.002 124.002 114.007 9.995 25104 13804 1 16 . 1 1 32 32 THR HA H 32 4.034 4.034 4.247 -0.213 25104 13805 1 16 . 1 1 32 32 THR C C 32 178.673 178.673 176.101 2.572 25104 13806 1 16 . 1 1 32 32 THR CA C 32 67.526 67.526 65.890 1.636 25104 13807 1 16 . 1 1 32 32 THR CB C 32 68.705 68.705 68.420 0.285 25104 13808 1 16 . 1 1 32 32 THR H H 32 10.320 10.320 8.299 2.021 25104 13809 1 16 . 1 1 33 33 ALA N N 33 125.616 125.616 123.528 2.088 25104 13810 1 16 . 1 1 33 33 ALA HA H 33 4.092 4.092 4.388 -0.296 25104 13811 1 16 . 1 1 33 33 ALA C C 33 179.174 179.174 178.781 0.393 25104 13812 1 16 . 1 1 33 33 ALA CA C 33 55.972 55.972 54.931 1.041 25104 13813 1 16 . 1 1 33 33 ALA CB C 33 18.414 18.414 18.337 0.077 25104 13814 1 16 . 1 1 33 33 ALA H H 33 9.311 9.311 8.041 1.270 25104 13815 1 16 . 1 1 34 34 GLU N N 34 117.376 117.376 119.657 -2.281 25104 13816 1 16 . 1 1 34 34 GLU HA H 34 4.556 4.556 3.915 0.641 25104 13817 1 16 . 1 1 34 34 GLU C C 34 178.418 178.418 178.526 -0.108 25104 13818 1 16 . 1 1 34 34 GLU CA C 34 58.238 58.238 59.526 -1.288 25104 13819 1 16 . 1 1 34 34 GLU CB C 34 28.181 28.181 29.603 -1.422 25104 13820 1 16 . 1 1 34 34 GLU H H 34 8.069 8.069 7.923 0.146 25104 13821 1 16 . 1 1 35 35 ASN N N 35 115.722 115.722 118.241 -2.519 25104 13822 1 16 . 1 1 35 35 ASN HA H 35 4.108 4.108 4.184 -0.076 25104 13823 1 16 . 1 1 35 35 ASN C C 35 175.568 175.568 177.117 -1.549 25104 13824 1 16 . 1 1 35 35 ASN CA C 35 56.768 56.768 56.030 0.738 25104 13825 1 16 . 1 1 35 35 ASN CB C 35 39.644 39.644 38.120 1.524 25104 13826 1 16 . 1 1 35 35 ASN H H 35 7.193 7.193 7.836 -0.643 25104 13827 1 16 . 1 1 36 36 PHE N N 36 117.929 117.929 120.329 -2.400 25104 13828 1 16 . 1 1 36 36 PHE HA H 36 4.158 4.158 4.122 0.036 25104 13829 1 16 . 1 1 36 36 PHE C C 36 179.707 179.707 177.428 2.279 25104 13830 1 16 . 1 1 36 36 PHE CA C 36 61.589 61.589 61.048 0.541 25104 13831 1 16 . 1 1 36 36 PHE CB C 36 39.948 39.948 39.143 0.805 25104 13832 1 16 . 1 1 36 36 PHE H H 36 7.065 7.065 7.323 -0.258 25104 13833 1 16 . 1 1 37 37 ARG N N 37 121.048 121.048 120.277 0.771 25104 13834 1 16 . 1 1 37 37 ARG HA H 37 3.685 3.685 3.906 -0.221 25104 13835 1 16 . 1 1 37 37 ARG C C 37 179.000 179.000 178.238 0.762 25104 13836 1 16 . 1 1 37 37 ARG CA C 37 60.515 60.515 59.736 0.779 25104 13837 1 16 . 1 1 37 37 ARG CB C 37 29.880 29.880 30.319 -0.439 25104 13838 1 16 . 1 1 37 37 ARG H H 37 8.975 8.975 8.073 0.902 25104 13839 1 16 . 1 1 38 38 ALA N N 38 119.232 119.232 121.200 -1.968 25104 13840 1 16 . 1 1 38 38 ALA HA H 38 4.126 4.126 4.474 -0.348 25104 13841 1 16 . 1 1 38 38 ALA C C 38 183.365 183.365 179.656 3.709 25104 13842 1 16 . 1 1 38 38 ALA CA C 38 54.477 54.477 54.148 0.329 25104 13843 1 16 . 1 1 38 38 ALA CB C 38 18.405 18.405 18.588 -0.183 25104 13844 1 16 . 1 1 38 38 ALA H H 38 8.741 8.741 7.907 0.834 25104 13845 1 16 . 1 1 39 39 LEU N N 39 120.723 120.723 118.674 2.049 25104 13846 1 16 . 1 1 39 39 LEU HA H 39 3.800 3.800 4.150 -0.350 25104 13847 1 16 . 1 1 39 39 LEU C C 39 180.481 180.481 178.984 1.497 25104 13848 1 16 . 1 1 39 39 LEU CA C 39 57.268 57.268 57.645 -0.377 25104 13849 1 16 . 1 1 39 39 LEU CB C 39 41.218 41.218 41.749 -0.531 25104 13850 1 16 . 1 1 39 39 LEU H H 39 8.212 8.212 7.926 0.286 25104 13851 1 16 . 1 1 40 40 SER N N 40 119.210 119.210 115.117 4.093 25104 13852 1 16 . 1 1 40 40 SER HA H 40 4.341 4.341 4.302 0.039 25104 13853 1 16 . 1 1 40 40 SER C C 40 175.380 175.380 176.534 -1.154 25104 13854 1 16 . 1 1 40 40 SER CA C 40 62.924 62.924 61.878 1.046 25104 13855 1 16 . 1 1 40 40 SER CB C 40 62.992 62.992 62.782 0.210 25104 13856 1 16 . 1 1 40 40 SER H H 40 7.938 7.938 8.060 -0.122 25104 13857 1 16 . 1 1 41 41 THR N N 41 108.556 108.556 111.155 -2.599 25104 13858 1 16 . 1 1 41 41 THR HA H 41 4.508 4.508 4.186 0.322 25104 13859 1 16 . 1 1 41 41 THR C C 41 179.088 179.088 176.082 3.006 25104 13860 1 16 . 1 1 41 41 THR CA C 41 62.492 62.492 63.617 -1.125 25104 13861 1 16 . 1 1 41 41 THR CB C 41 69.663 69.663 69.159 0.504 25104 13862 1 16 . 1 1 41 41 THR H H 41 8.017 8.017 7.832 0.185 25104 13863 1 16 . 1 1 42 42 GLY N N 42 108.433 108.433 110.834 -2.401 25104 13864 1 16 . 1 1 42 42 GLY C C 42 178.676 178.676 175.845 2.831 25104 13865 1 16 . 1 1 42 42 GLY CA C 42 45.840 45.840 45.598 0.242 25104 13866 1 16 . 1 1 42 42 GLY H H 42 7.621 7.621 7.761 -0.140 25104 13867 1 16 . 1 1 43 43 GLU N N 43 118.777 118.777 120.132 -1.355 25104 13868 1 16 . 1 1 43 43 GLU HA H 43 4.171 4.171 4.108 0.063 25104 13869 1 16 . 1 1 43 43 GLU C C 43 177.458 177.458 177.417 0.041 25104 13870 1 16 . 1 1 43 43 GLU CA C 43 58.580 58.580 58.000 0.580 25104 13871 1 16 . 1 1 43 43 GLU H H 43 8.049 8.049 8.132 -0.083 25104 13872 1 16 . 1 1 44 44 LYS N N 44 118.526 118.526 116.193 2.333 25104 13873 1 16 . 1 1 44 44 LYS HA H 44 4.342 4.342 4.335 0.007 25104 13874 1 16 . 1 1 44 44 LYS C C 44 177.590 177.590 176.392 1.198 25104 13875 1 16 . 1 1 44 44 LYS CA C 44 54.405 54.405 54.370 0.035 25104 13876 1 16 . 1 1 44 44 LYS CB C 44 30.488 30.488 32.104 -1.616 25104 13877 1 16 . 1 1 44 44 LYS H H 44 9.123 9.123 7.338 1.785 25104 13878 1 16 . 1 1 45 45 GLY N N 45 105.553 105.553 108.690 -3.137 25104 13879 1 16 . 1 1 45 45 GLY C C 45 173.518 173.518 174.223 -0.705 25104 13880 1 16 . 1 1 45 45 GLY CA C 45 44.612 44.612 45.870 -1.258 25104 13881 1 16 . 1 1 45 45 GLY H H 45 7.970 7.970 7.585 0.385 25104 13882 1 16 . 1 1 46 46 PHE N N 46 113.753 113.753 117.857 -4.104 25104 13883 1 16 . 1 1 46 46 PHE HA H 46 4.678 4.678 4.430 0.248 25104 13884 1 16 . 1 1 46 46 PHE C C 46 173.684 173.684 175.942 -2.258 25104 13885 1 16 . 1 1 46 46 PHE CA C 46 54.077 54.077 56.672 -2.595 25104 13886 1 16 . 1 1 46 46 PHE CB C 46 39.658 39.658 40.009 -0.351 25104 13887 1 16 . 1 1 46 46 PHE H H 46 6.469 6.469 7.682 -1.213 25104 13888 1 16 . 1 1 47 47 GLY N N 47 104.722 104.722 108.247 -3.525 25104 13889 1 16 . 1 1 47 47 GLY C C 47 172.446 172.446 174.884 -2.438 25104 13890 1 16 . 1 1 47 47 GLY CA C 47 45.601 45.601 45.660 -0.059 25104 13891 1 16 . 1 1 47 47 GLY H H 47 7.756 7.756 8.215 -0.459 25104 13892 1 16 . 1 1 48 48 TYR N N 48 113.796 113.796 120.491 -6.695 25104 13893 1 16 . 1 1 48 48 TYR HA H 48 4.270 4.270 4.222 0.048 25104 13894 1 16 . 1 1 48 48 TYR C C 48 178.924 178.924 176.031 2.893 25104 13895 1 16 . 1 1 48 48 TYR CA C 48 57.365 57.365 59.004 -1.639 25104 13896 1 16 . 1 1 48 48 TYR CB C 48 38.832 38.832 37.415 1.417 25104 13897 1 16 . 1 1 48 48 TYR H H 48 6.948 6.948 8.091 -1.143 25104 13898 1 16 . 1 1 49 49 LYS N N 49 124.858 124.858 125.364 -0.506 25104 13899 1 16 . 1 1 49 49 LYS HA H 49 3.655 3.655 4.428 -0.773 25104 13900 1 16 . 1 1 49 49 LYS C C 49 178.388 178.388 176.939 1.449 25104 13901 1 16 . 1 1 49 49 LYS CA C 49 61.018 61.018 55.244 5.774 25104 13902 1 16 . 1 1 49 49 LYS CB C 49 31.484 31.484 34.051 -2.567 25104 13903 1 16 . 1 1 49 49 LYS H H 49 8.493 8.493 7.901 0.592 25104 13904 1 16 . 1 1 50 50 GLY N N 50 117.833 117.833 115.580 2.253 25104 13905 1 16 . 1 1 50 50 GLY C C 50 175.259 175.259 174.465 0.794 25104 13906 1 16 . 1 1 50 50 GLY CA C 50 45.495 45.495 45.441 0.054 25104 13907 1 16 . 1 1 50 50 GLY H H 50 9.509 9.509 8.444 1.065 25104 13908 1 16 . 1 1 51 51 SER N N 51 116.413 116.413 116.634 -0.221 25104 13909 1 16 . 1 1 51 51 SER HA H 51 4.516 4.516 4.424 0.092 25104 13910 1 16 . 1 1 51 51 SER C C 51 172.808 172.808 175.225 -2.417 25104 13911 1 16 . 1 1 51 51 SER CA C 51 59.043 59.043 59.300 -0.257 25104 13912 1 16 . 1 1 51 51 SER CB C 51 63.781 63.781 63.282 0.498 25104 13913 1 16 . 1 1 51 51 SER H H 51 8.436 8.436 7.931 0.505 25104 13914 1 16 . 1 1 52 52 CYS N N 52 115.156 115.156 124.447 -9.291 25104 13915 1 16 . 1 1 52 52 CYS HA H 52 5.932 5.932 4.935 0.997 25104 13916 1 16 . 1 1 52 52 CYS C C 52 177.437 177.437 174.756 2.681 25104 13917 1 16 . 1 1 52 52 CYS CA C 52 55.998 55.998 56.948 -0.950 25104 13918 1 16 . 1 1 52 52 CYS CB C 52 31.953 31.953 27.695 4.258 25104 13919 1 16 . 1 1 52 52 CYS H H 52 9.875 9.875 8.645 1.230 25104 13920 1 16 . 1 1 53 53 PHE N N 53 123.068 123.068 125.835 -2.767 25104 13921 1 16 . 1 1 53 53 PHE HA H 53 4.899 4.899 4.387 0.512 25104 13922 1 16 . 1 1 53 53 PHE C C 53 175.886 175.886 175.880 0.006 25104 13923 1 16 . 1 1 53 53 PHE CA C 53 58.389 58.389 58.409 -0.020 25104 13924 1 16 . 1 1 53 53 PHE CB C 53 39.535 39.535 37.023 2.512 25104 13925 1 16 . 1 1 53 53 PHE H H 53 8.732 8.732 9.226 -0.494 25104 13926 1 16 . 1 1 54 54 HIS N N 54 120.227 120.227 118.275 1.952 25104 13927 1 16 . 1 1 54 54 HIS HA H 54 4.763 4.763 4.915 -0.152 25104 13928 1 16 . 1 1 54 54 HIS C C 54 176.409 176.409 174.725 1.684 25104 13929 1 16 . 1 1 54 54 HIS CA C 54 57.323 57.323 54.888 2.435 25104 13930 1 16 . 1 1 54 54 HIS CB C 54 31.542 31.542 30.887 0.655 25104 13931 1 16 . 1 1 54 54 HIS H H 54 7.696 7.696 7.702 -0.006 25104 13932 1 16 . 1 1 55 55 ARG N N 55 123.202 123.202 121.014 2.188 25104 13933 1 16 . 1 1 55 55 ARG HA H 55 5.118 5.118 5.360 -0.242 25104 13934 1 16 . 1 1 55 55 ARG C C 55 174.511 174.511 173.563 0.948 25104 13935 1 16 . 1 1 55 55 ARG CA C 55 54.913 54.913 55.343 -0.430 25104 13936 1 16 . 1 1 55 55 ARG CB C 55 33.805 33.805 32.060 1.745 25104 13937 1 16 . 1 1 55 55 ARG H H 55 7.089 7.089 7.235 -0.146 25104 13938 1 16 . 1 1 56 56 ILE N N 56 126.621 126.621 126.214 0.407 25104 13939 1 16 . 1 1 56 56 ILE HA H 56 4.659 4.659 4.759 -0.100 25104 13940 1 16 . 1 1 56 56 ILE C C 56 174.633 174.633 173.934 0.699 25104 13941 1 16 . 1 1 56 56 ILE CA C 56 61.585 61.585 60.481 1.104 25104 13942 1 16 . 1 1 56 56 ILE CB C 56 41.452 41.452 42.515 -1.063 25104 13943 1 16 . 1 1 56 56 ILE H H 56 9.201 9.201 8.898 0.303 25104 13944 1 16 . 1 1 57 57 ILE N N 57 127.965 127.965 124.752 3.213 25104 13945 1 16 . 1 1 57 57 ILE HA H 57 5.248 5.248 5.162 0.086 25104 13946 1 16 . 1 1 57 57 ILE CA C 57 57.685 57.685 57.668 0.017 25104 13947 1 16 . 1 1 57 57 ILE CB C 57 40.236 40.236 41.538 -1.302 25104 13948 1 16 . 1 1 57 57 ILE H H 57 8.753 8.753 9.033 -0.280 25104 13949 1 16 . 1 1 58 58 PRO HA H 58 4.382 4.382 4.436 -0.054 25104 13950 1 16 . 1 1 58 58 PRO C C 58 178.669 178.669 177.851 0.818 25104 13951 1 16 . 1 1 58 58 PRO CA C 58 63.086 63.086 63.265 -0.179 25104 13952 1 16 . 1 1 58 58 PRO CB C 58 31.996 31.996 31.864 0.132 25104 13953 1 16 . 1 1 59 59 GLY N N 59 114.176 114.176 111.679 2.497 25104 13954 1 16 . 1 1 59 59 GLY C C 59 173.281 173.281 173.443 -0.162 25104 13955 1 16 . 1 1 59 59 GLY CA C 59 45.259 45.259 45.909 -0.650 25104 13956 1 16 . 1 1 59 59 GLY H H 59 9.752 9.752 8.614 1.138 25104 13957 1 16 . 1 1 60 60 PHE N N 60 119.241 119.241 117.984 1.257 25104 13958 1 16 . 1 1 60 60 PHE HA H 60 5.153 5.153 5.015 0.138 25104 13959 1 16 . 1 1 60 60 PHE C C 60 174.401 174.401 173.013 1.388 25104 13960 1 16 . 1 1 60 60 PHE CA C 60 56.867 56.867 57.894 -1.027 25104 13961 1 16 . 1 1 60 60 PHE CB C 60 39.954 39.954 41.634 -1.680 25104 13962 1 16 . 1 1 60 60 PHE H H 60 8.196 8.196 8.162 0.034 25104 13963 1 16 . 1 1 61 61 MET N N 61 111.262 111.262 118.313 -7.051 25104 13964 1 16 . 1 1 61 61 MET HA H 61 5.369 5.369 4.983 0.386 25104 13965 1 16 . 1 1 61 61 MET C C 61 175.163 175.163 173.204 1.959 25104 13966 1 16 . 1 1 61 61 MET CA C 61 55.062 55.062 54.461 0.601 25104 13967 1 16 . 1 1 61 61 MET CB C 61 35.010 35.010 35.850 -0.840 25104 13968 1 16 . 1 1 61 61 MET H H 61 8.128 8.128 8.292 -0.164 25104 13969 1 16 . 1 1 62 62 CYS N N 62 114.848 114.848 123.535 -8.687 25104 13970 1 16 . 1 1 62 62 CYS HA H 62 4.941 4.941 4.988 -0.047 25104 13971 1 16 . 1 1 62 62 CYS C C 62 174.075 174.075 173.661 0.414 25104 13972 1 16 . 1 1 62 62 CYS CA C 62 57.485 57.485 56.602 0.883 25104 13973 1 16 . 1 1 62 62 CYS CB C 62 30.392 30.392 28.612 1.780 25104 13974 1 16 . 1 1 62 62 CYS H H 62 8.501 8.501 8.901 -0.400 25104 13975 1 16 . 1 1 63 63 GLN N N 63 126.854 126.854 126.546 0.308 25104 13976 1 16 . 1 1 63 63 GLN HA H 63 5.410 5.410 4.846 0.564 25104 13977 1 16 . 1 1 63 63 GLN C C 63 175.024 175.024 174.630 0.394 25104 13978 1 16 . 1 1 63 63 GLN CA C 63 54.691 54.691 54.365 0.326 25104 13979 1 16 . 1 1 63 63 GLN CB C 63 30.529 30.529 31.797 -1.268 25104 13980 1 16 . 1 1 63 63 GLN H H 63 9.671 9.671 8.708 0.963 25104 13981 1 16 . 1 1 64 64 GLY N N 64 110.745 110.745 111.923 -1.178 25104 13982 1 16 . 1 1 64 64 GLY C C 64 174.113 174.113 171.878 2.235 25104 13983 1 16 . 1 1 64 64 GLY CA C 64 44.788 44.788 42.346 2.442 25104 13984 1 16 . 1 1 64 64 GLY H H 64 7.401 7.401 7.557 -0.156 25104 13985 1 16 . 1 1 65 65 GLY N N 65 105.815 105.815 105.064 0.751 25104 13986 1 16 . 1 1 65 65 GLY C C 65 176.175 176.175 171.595 4.580 25104 13987 1 16 . 1 1 65 65 GLY CA C 65 46.659 46.659 45.314 1.345 25104 13988 1 16 . 1 1 65 65 GLY H H 65 9.265 9.265 7.030 2.235 25104 13989 1 16 . 1 1 66 66 ASP N N 66 123.911 123.911 118.377 5.534 25104 13990 1 16 . 1 1 66 66 ASP HA H 66 4.337 4.337 5.156 -0.819 25104 13991 1 16 . 1 1 66 66 ASP C C 66 177.105 177.105 176.330 0.775 25104 13992 1 16 . 1 1 66 66 ASP CA C 66 51.592 51.592 51.672 -0.081 25104 13993 1 16 . 1 1 66 66 ASP CB C 66 38.926 38.926 44.159 -5.233 25104 13994 1 16 . 1 1 66 66 ASP H H 66 9.950 9.950 8.180 1.770 25104 13995 1 16 . 1 1 67 67 PHE N N 67 116.285 116.285 121.424 -5.139 25104 13996 1 16 . 1 1 67 67 PHE HA H 67 4.655 4.655 4.258 0.397 25104 13997 1 16 . 1 1 67 67 PHE C C 67 175.240 175.240 175.786 -0.546 25104 13998 1 16 . 1 1 67 67 PHE CA C 67 55.683 55.683 59.274 -3.591 25104 13999 1 16 . 1 1 67 67 PHE CB C 67 39.480 39.480 40.147 -0.667 25104 14000 1 16 . 1 1 67 67 PHE H H 67 6.660 6.660 8.675 -2.015 25104 14001 1 16 . 1 1 68 68 THR N N 68 109.280 109.280 116.414 -7.134 25104 14002 1 16 . 1 1 68 68 THR HA H 68 4.692 4.692 4.299 0.393 25104 14003 1 16 . 1 1 68 68 THR C C 68 176.514 176.514 174.621 1.893 25104 14004 1 16 . 1 1 68 68 THR CA C 68 61.962 61.962 63.030 -1.068 25104 14005 1 16 . 1 1 68 68 THR CB C 68 68.922 68.922 69.488 -0.566 25104 14006 1 16 . 1 1 68 68 THR H H 68 7.400 7.400 8.014 -0.614 25104 14007 1 16 . 1 1 69 69 ARG N N 69 122.125 122.125 120.167 1.958 25104 14008 1 16 . 1 1 69 69 ARG HA H 69 4.421 4.421 3.885 0.536 25104 14009 1 16 . 1 1 69 69 ARG CA C 69 55.265 55.265 57.669 -2.404 25104 14010 1 16 . 1 1 69 69 ARG CB C 69 31.727 31.727 27.933 3.794 25104 14011 1 16 . 1 1 69 69 ARG H H 69 8.719 8.719 8.952 -0.233 25104 14012 1 16 . 1 1 70 70 HIS N N 70 111.574 111.574 119.164 -7.590 25104 14013 1 16 . 1 1 70 70 HIS HA H 70 4.451 4.451 4.211 0.240 25104 14014 1 16 . 1 1 70 70 HIS C C 70 175.306 175.306 175.002 0.304 25104 14015 1 16 . 1 1 70 70 HIS CA C 70 57.193 57.193 58.687 -1.494 25104 14016 1 16 . 1 1 70 70 HIS CB C 70 28.587 28.587 29.752 -1.165 25104 14017 1 16 . 1 1 70 70 HIS H H 70 6.865 6.865 7.993 -1.128 25104 14018 1 16 . 1 1 71 71 ASN N N 71 112.710 112.710 117.907 -5.197 25104 14019 1 16 . 1 1 71 71 ASN HA H 71 4.673 4.673 4.378 0.295 25104 14020 1 16 . 1 1 71 71 ASN C C 71 176.752 176.752 175.901 0.851 25104 14021 1 16 . 1 1 71 71 ASN CA C 71 52.366 52.366 54.343 -1.977 25104 14022 1 16 . 1 1 71 71 ASN CB C 71 39.036 39.036 37.321 1.715 25104 14023 1 16 . 1 1 71 71 ASN H H 71 7.594 7.594 8.269 -0.675 25104 14024 1 16 . 1 1 72 72 GLY N N 72 110.452 110.452 113.367 -2.915 25104 14025 1 16 . 1 1 72 72 GLY C C 72 176.669 176.669 174.084 2.585 25104 14026 1 16 . 1 1 72 72 GLY CA C 72 44.887 44.887 45.652 -0.765 25104 14027 1 16 . 1 1 72 72 GLY H H 72 9.642 9.642 8.376 1.266 25104 14028 1 16 . 1 1 73 73 THR N N 73 112.024 112.024 115.061 -3.037 25104 14029 1 16 . 1 1 73 73 THR HA H 73 4.541 4.541 4.379 0.162 25104 14030 1 16 . 1 1 73 73 THR C C 73 176.905 176.905 173.696 3.209 25104 14031 1 16 . 1 1 73 73 THR CA C 73 62.235 62.235 62.293 -0.058 25104 14032 1 16 . 1 1 73 73 THR CB C 73 70.677 70.677 71.245 -0.568 25104 14033 1 16 . 1 1 73 73 THR H H 73 7.967 7.967 7.319 0.648 25104 14034 1 16 . 1 1 74 74 GLY N N 74 113.872 113.872 111.956 1.916 25104 14035 1 16 . 1 1 74 74 GLY C C 74 176.149 176.149 174.575 1.574 25104 14036 1 16 . 1 1 74 74 GLY CA C 74 45.126 45.126 45.727 -0.601 25104 14037 1 16 . 1 1 74 74 GLY H H 74 8.711 8.711 8.135 0.576 25104 14038 1 16 . 1 1 75 75 GLY N N 75 109.032 109.032 106.155 2.877 25104 14039 1 16 . 1 1 75 75 GLY C C 75 173.012 173.012 173.898 -0.886 25104 14040 1 16 . 1 1 75 75 GLY CA C 75 43.371 43.371 44.269 -0.898 25104 14041 1 16 . 1 1 75 75 GLY H H 75 8.117 8.117 8.280 -0.163 25104 14042 1 16 . 1 1 76 76 LYS N N 76 115.705 115.705 120.679 -4.974 25104 14043 1 16 . 1 1 76 76 LYS HA H 76 4.623 4.623 4.549 0.074 25104 14044 1 16 . 1 1 76 76 LYS C C 76 173.512 173.512 175.879 -2.367 25104 14045 1 16 . 1 1 76 76 LYS CA C 76 55.975 55.975 56.502 -0.527 25104 14046 1 16 . 1 1 76 76 LYS CB C 76 34.648 34.648 33.031 1.617 25104 14047 1 16 . 1 1 76 76 LYS H H 76 7.034 7.034 7.561 -0.527 25104 14048 1 16 . 1 1 77 77 SER N N 77 114.354 114.354 114.308 0.046 25104 14049 1 16 . 1 1 77 77 SER HA H 77 5.240 5.240 4.738 0.502 25104 14050 1 16 . 1 1 77 77 SER C C 77 176.746 176.746 176.447 0.299 25104 14051 1 16 . 1 1 77 77 SER CA C 77 57.077 57.077 57.062 0.015 25104 14052 1 16 . 1 1 77 77 SER CB C 77 69.863 69.863 66.406 3.457 25104 14053 1 16 . 1 1 77 77 SER H H 77 7.793 7.793 8.005 -0.212 25104 14054 1 16 . 1 1 78 78 ILE N N 78 111.394 111.394 116.401 -5.007 25104 14055 1 16 . 1 1 78 78 ILE HA H 78 4.208 4.208 4.352 -0.144 25104 14056 1 16 . 1 1 78 78 ILE C C 78 176.973 176.973 175.509 1.464 25104 14057 1 16 . 1 1 78 78 ILE CA C 78 63.675 63.675 63.235 0.440 25104 14058 1 16 . 1 1 78 78 ILE CB C 78 37.434 37.434 37.950 -0.516 25104 14059 1 16 . 1 1 78 78 ILE H H 78 8.584 8.584 8.715 -0.131 25104 14060 1 16 . 1 1 79 79 TYR N N 79 120.757 120.757 118.774 1.983 25104 14061 1 16 . 1 1 79 79 TYR HA H 79 4.718 4.718 4.493 0.225 25104 14062 1 16 . 1 1 79 79 TYR C C 79 176.316 176.316 175.885 0.431 25104 14063 1 16 . 1 1 79 79 TYR CA C 79 56.216 56.216 57.849 -1.633 25104 14064 1 16 . 1 1 79 79 TYR CB C 79 38.891 38.891 37.733 1.159 25104 14065 1 16 . 1 1 79 79 TYR H H 79 8.058 8.058 7.767 0.291 25104 14066 1 16 . 1 1 80 80 GLY N N 80 106.521 106.521 107.475 -0.954 25104 14067 1 16 . 1 1 80 80 GLY CA C 80 46.021 46.021 44.974 1.047 25104 14068 1 16 . 1 1 80 80 GLY H H 80 7.152 7.152 7.302 -0.150 25104 14069 1 16 . 1 1 81 81 GLU N N 81 122.638 122.638 123.931 -1.293 25104 14070 1 16 . 1 1 81 81 GLU HA H 81 4.008 4.008 4.059 -0.051 25104 14071 1 16 . 1 1 81 81 GLU C C 81 176.729 176.729 175.605 1.124 25104 14072 1 16 . 1 1 81 81 GLU CA C 81 60.602 60.602 58.936 1.666 25104 14073 1 16 . 1 1 81 81 GLU CB C 81 29.927 29.927 30.034 -0.107 25104 14074 1 16 . 1 1 81 81 GLU H H 81 8.884 8.884 8.618 0.266 25104 14075 1 16 . 1 1 82 82 LYS N N 82 112.369 112.369 112.342 0.027 25104 14076 1 16 . 1 1 82 82 LYS HA H 82 5.577 5.577 4.440 1.137 25104 14077 1 16 . 1 1 82 82 LYS C C 82 176.495 176.495 174.783 1.712 25104 14078 1 16 . 1 1 82 82 LYS CA C 82 53.906 53.906 55.797 -1.891 25104 14079 1 16 . 1 1 82 82 LYS CB C 82 36.614 36.614 35.094 1.520 25104 14080 1 16 . 1 1 82 82 LYS H H 82 7.845 7.845 7.596 0.249 25104 14081 1 16 . 1 1 83 83 PHE N N 83 116.638 116.638 114.451 2.187 25104 14082 1 16 . 1 1 83 83 PHE HA H 83 5.000 5.000 4.996 0.004 25104 14083 1 16 . 1 1 83 83 PHE C C 83 174.501 174.501 173.261 1.240 25104 14084 1 16 . 1 1 83 83 PHE CA C 83 56.032 56.032 56.308 -0.276 25104 14085 1 16 . 1 1 83 83 PHE CB C 83 41.258 41.258 41.100 0.158 25104 14086 1 16 . 1 1 83 83 PHE H H 83 9.184 9.184 8.663 0.521 25104 14087 1 16 . 1 1 84 84 GLU N N 84 119.642 119.642 117.993 1.649 25104 14088 1 16 . 1 1 84 84 GLU HA H 84 3.862 3.862 4.328 -0.466 25104 14089 1 16 . 1 1 84 84 GLU C C 84 177.248 177.248 175.446 1.802 25104 14090 1 16 . 1 1 84 84 GLU CA C 84 56.452 56.452 54.308 2.144 25104 14091 1 16 . 1 1 84 84 GLU CB C 84 29.329 29.329 31.311 -1.982 25104 14092 1 16 . 1 1 84 84 GLU H H 84 9.294 9.294 8.470 0.824 25104 14093 1 16 . 1 1 85 85 ASP N N 85 118.870 118.870 120.370 -1.500 25104 14094 1 16 . 1 1 85 85 ASP HA H 85 4.285 4.285 4.504 -0.219 25104 14095 1 16 . 1 1 85 85 ASP C C 85 177.100 177.100 176.495 0.605 25104 14096 1 16 . 1 1 85 85 ASP CA C 85 54.486 54.486 54.809 -0.322 25104 14097 1 16 . 1 1 85 85 ASP CB C 85 40.954 40.954 41.124 -0.170 25104 14098 1 16 . 1 1 85 85 ASP H H 85 8.609 8.609 8.445 0.164 25104 14099 1 16 . 1 1 86 86 GLU N N 86 131.636 131.636 124.187 7.449 25104 14100 1 16 . 1 1 86 86 GLU HA H 86 3.851 3.851 4.129 -0.278 25104 14101 1 16 . 1 1 86 86 GLU C C 86 177.266 177.266 175.551 1.715 25104 14102 1 16 . 1 1 86 86 GLU CA C 86 60.354 60.354 58.756 1.598 25104 14103 1 16 . 1 1 86 86 GLU CB C 86 31.877 31.877 30.802 1.075 25104 14104 1 16 . 1 1 86 86 GLU H H 86 9.474 9.474 8.819 0.655 25104 14105 1 16 . 1 1 87 87 ASN N N 87 106.916 106.916 111.892 -4.976 25104 14106 1 16 . 1 1 87 87 ASN HA H 87 4.187 4.187 4.636 -0.449 25104 14107 1 16 . 1 1 87 87 ASN C C 87 171.751 171.751 174.028 -2.277 25104 14108 1 16 . 1 1 87 87 ASN CA C 87 52.828 52.828 52.131 0.697 25104 14109 1 16 . 1 1 87 87 ASN CB C 87 39.490 39.490 38.752 0.738 25104 14110 1 16 . 1 1 87 87 ASN H H 87 7.084 7.084 7.546 -0.462 25104 14111 1 16 . 1 1 88 88 PHE N N 88 113.116 113.116 119.034 -5.918 25104 14112 1 16 . 1 1 88 88 PHE HA H 88 5.964 5.964 4.752 1.212 25104 14113 1 16 . 1 1 88 88 PHE C C 88 178.688 178.688 174.960 3.728 25104 14114 1 16 . 1 1 88 88 PHE CA C 88 55.847 55.847 57.764 -1.917 25104 14115 1 16 . 1 1 88 88 PHE CB C 88 38.876 38.876 37.069 1.807 25104 14116 1 16 . 1 1 88 88 PHE H H 88 8.356 8.356 8.813 -0.457 25104 14117 1 16 . 1 1 89 89 ILE N N 89 119.794 119.794 119.391 0.403 25104 14118 1 16 . 1 1 89 89 ILE HA H 89 3.726 3.726 4.009 -0.283 25104 14119 1 16 . 1 1 89 89 ILE C C 89 178.596 178.596 176.337 2.259 25104 14120 1 16 . 1 1 89 89 ILE CA C 89 64.996 64.996 62.782 2.214 25104 14121 1 16 . 1 1 89 89 ILE CB C 89 39.000 39.000 38.643 0.357 25104 14122 1 16 . 1 1 89 89 ILE H H 89 8.314 8.314 7.473 0.841 25104 14123 1 16 . 1 1 90 90 LEU N N 90 117.361 117.361 121.501 -4.140 25104 14124 1 16 . 1 1 90 90 LEU HA H 90 4.516 4.516 4.269 0.247 25104 14125 1 16 . 1 1 90 90 LEU C C 90 177.345 177.345 175.640 1.705 25104 14126 1 16 . 1 1 90 90 LEU CA C 90 54.196 54.196 54.094 0.102 25104 14127 1 16 . 1 1 90 90 LEU CB C 90 42.100 42.100 41.116 0.984 25104 14128 1 16 . 1 1 90 90 LEU H H 90 7.777 7.777 8.161 -0.384 25104 14129 1 16 . 1 1 91 91 LYS N N 91 119.096 119.096 122.437 -3.341 25104 14130 1 16 . 1 1 91 91 LYS HA H 91 4.635 4.635 4.618 0.017 25104 14131 1 16 . 1 1 91 91 LYS C C 91 177.296 177.296 176.795 0.501 25104 14132 1 16 . 1 1 91 91 LYS CA C 91 54.689 54.689 54.626 0.063 25104 14133 1 16 . 1 1 91 91 LYS CB C 91 34.841 34.841 34.085 0.756 25104 14134 1 16 . 1 1 91 91 LYS H H 91 8.086 8.086 8.153 -0.067 25104 14135 1 16 . 1 1 92 92 HIS N N 92 122.578 122.578 118.891 3.687 25104 14136 1 16 . 1 1 92 92 HIS HA H 92 4.408 4.408 4.701 -0.293 25104 14137 1 16 . 1 1 92 92 HIS C C 92 178.794 178.794 174.767 4.027 25104 14138 1 16 . 1 1 92 92 HIS CA C 92 56.886 56.886 55.980 0.906 25104 14139 1 16 . 1 1 92 92 HIS CB C 92 26.041 26.041 27.578 -1.537 25104 14140 1 16 . 1 1 92 92 HIS H H 92 10.736 10.736 9.137 1.599 25104 14141 1 16 . 1 1 93 93 THR N N 93 110.479 110.479 114.434 -3.955 25104 14142 1 16 . 1 1 93 93 THR HA H 93 4.056 4.056 4.377 -0.321 25104 14143 1 16 . 1 1 93 93 THR C C 93 176.456 176.456 174.932 1.524 25104 14144 1 16 . 1 1 93 93 THR CA C 93 63.324 63.324 62.290 1.034 25104 14145 1 16 . 1 1 93 93 THR CB C 93 69.416 69.416 69.601 -0.185 25104 14146 1 16 . 1 1 93 93 THR H H 93 7.315 7.315 7.486 -0.171 25104 14147 1 16 . 1 1 94 94 GLY N N 94 107.272 107.272 110.704 -3.432 25104 14148 1 16 . 1 1 94 94 GLY C C 94 178.117 178.117 172.186 5.931 25104 14149 1 16 . 1 1 94 94 GLY H H 94 7.530 7.530 7.584 -0.054 25104 14150 1 16 . 1 1 95 95 PRO HA H 95 3.856 3.856 4.305 -0.449 25104 14151 1 16 . 1 1 95 95 PRO CA C 95 62.687 62.687 62.686 0.001 25104 14152 1 16 . 1 1 95 95 PRO CB C 95 32.137 32.137 32.919 -0.782 25104 14153 1 16 . 1 1 96 96 GLY N N 96 110.210 110.210 109.162 1.048 25104 14154 1 16 . 1 1 96 96 GLY C C 96 174.025 174.025 174.875 -0.850 25104 14155 1 16 . 1 1 96 96 GLY CA C 96 45.068 45.068 45.094 -0.026 25104 14156 1 16 . 1 1 96 96 GLY H H 96 9.305 9.305 8.302 1.003 25104 14157 1 16 . 1 1 97 97 ILE N N 97 121.517 121.517 121.707 -0.190 25104 14158 1 16 . 1 1 97 97 ILE HA H 97 4.173 4.173 3.876 0.297 25104 14159 1 16 . 1 1 97 97 ILE C C 97 174.196 174.196 174.759 -0.563 25104 14160 1 16 . 1 1 97 97 ILE CA C 97 59.398 59.398 60.997 -1.599 25104 14161 1 16 . 1 1 97 97 ILE CB C 97 37.922 37.922 35.966 1.956 25104 14162 1 16 . 1 1 97 97 ILE H H 97 6.826 6.826 8.045 -1.219 25104 14163 1 16 . 1 1 98 98 LEU N N 98 128.948 128.948 131.030 -2.082 25104 14164 1 16 . 1 1 98 98 LEU HA H 98 5.010 5.010 4.812 0.198 25104 14165 1 16 . 1 1 98 98 LEU C C 98 175.316 175.316 174.464 0.852 25104 14166 1 16 . 1 1 98 98 LEU CA C 98 53.350 53.350 53.281 0.069 25104 14167 1 16 . 1 1 98 98 LEU CB C 98 43.813 43.813 43.160 0.653 25104 14168 1 16 . 1 1 98 98 LEU H H 98 7.907 7.907 8.080 -0.173 25104 14169 1 16 . 1 1 99 99 SER N N 99 118.834 118.834 120.094 -1.260 25104 14170 1 16 . 1 1 99 99 SER HA H 99 5.346 5.346 4.757 0.589 25104 14171 1 16 . 1 1 99 99 SER C C 99 175.732 175.732 172.650 3.082 25104 14172 1 16 . 1 1 99 99 SER CA C 99 55.011 55.011 56.769 -1.758 25104 14173 1 16 . 1 1 99 99 SER CB C 99 65.370 65.370 65.262 0.108 25104 14174 1 16 . 1 1 99 99 SER H H 99 8.307 8.307 8.340 -0.033 25104 14175 1 16 . 1 1 100 100 MET N N 100 123.079 123.079 125.344 -2.265 25104 14176 1 16 . 1 1 100 100 MET HA H 100 5.338 5.338 4.647 0.691 25104 14177 1 16 . 1 1 100 100 MET C C 100 178.920 178.920 175.653 3.267 25104 14178 1 16 . 1 1 100 100 MET CA C 100 53.853 53.853 55.634 -1.781 25104 14179 1 16 . 1 1 100 100 MET H H 100 8.563 8.563 9.055 -0.492 25104 14180 1 16 . 1 1 101 101 ALA N N 101 126.225 126.225 125.272 0.953 25104 14181 1 16 . 1 1 101 101 ALA HA H 101 4.362 4.362 4.593 -0.231 25104 14182 1 16 . 1 1 101 101 ALA C C 101 176.471 176.471 175.831 0.640 25104 14183 1 16 . 1 1 101 101 ALA CA C 101 51.743 51.743 52.207 -0.464 25104 14184 1 16 . 1 1 101 101 ALA CB C 101 19.619 19.619 20.445 -0.826 25104 14185 1 16 . 1 1 101 101 ALA H H 101 8.114 8.114 8.307 -0.193 25104 14186 1 16 . 1 1 102 102 ASN N N 102 113.398 113.398 114.452 -1.054 25104 14187 1 16 . 1 1 102 102 ASN HA H 102 4.647 4.647 4.779 -0.132 25104 14188 1 16 . 1 1 102 102 ASN C C 102 174.740 174.740 173.951 0.789 25104 14189 1 16 . 1 1 102 102 ASN CA C 102 54.102 54.102 52.325 1.777 25104 14190 1 16 . 1 1 102 102 ASN CB C 102 40.597 40.597 39.867 0.730 25104 14191 1 16 . 1 1 102 102 ASN H H 102 8.062 8.062 8.113 -0.051 25104 14192 1 16 . 1 1 103 103 ALA N N 103 123.487 123.487 121.372 2.115 25104 14193 1 16 . 1 1 103 103 ALA HA H 103 4.868 4.868 4.551 0.317 25104 14194 1 16 . 1 1 103 103 ALA C C 103 177.823 177.823 176.258 1.565 25104 14195 1 16 . 1 1 103 103 ALA CA C 103 50.380 50.380 52.445 -2.065 25104 14196 1 16 . 1 1 103 103 ALA CB C 103 19.295 19.295 19.321 -0.026 25104 14197 1 16 . 1 1 103 103 ALA H H 103 8.822 8.822 8.583 0.239 25104 14198 1 16 . 1 1 104 104 GLY N N 104 109.271 109.271 107.187 2.084 25104 14199 1 16 . 1 1 104 104 GLY CA C 104 43.559 43.559 44.881 -1.322 25104 14200 1 16 . 1 1 104 104 GLY H H 104 8.181 8.181 7.585 0.596 25104 14201 1 16 . 1 1 105 105 PRO HA H 105 4.385 4.385 4.454 -0.069 25104 14202 1 16 . 1 1 105 105 PRO C C 105 177.209 177.209 177.074 0.135 25104 14203 1 16 . 1 1 105 105 PRO CA C 105 63.976 63.976 63.133 0.843 25104 14204 1 16 . 1 1 105 105 PRO CB C 105 32.136 32.136 32.111 0.025 25104 14205 1 16 . 1 1 106 106 ASN N N 106 119.146 119.146 116.963 2.183 25104 14206 1 16 . 1 1 106 106 ASN HA H 106 4.052 4.052 4.534 -0.482 25104 14207 1 16 . 1 1 106 106 ASN C C 106 175.857 175.857 174.867 0.990 25104 14208 1 16 . 1 1 106 106 ASN CA C 106 54.279 54.279 54.906 -0.627 25104 14209 1 16 . 1 1 106 106 ASN CB C 106 37.248 37.248 38.104 -0.856 25104 14210 1 16 . 1 1 106 106 ASN H H 106 8.912 8.912 9.073 -0.161 25104 14211 1 16 . 1 1 107 107 THR N N 107 110.101 110.101 111.241 -1.140 25104 14212 1 16 . 1 1 107 107 THR HA H 107 4.493 4.493 4.360 0.133 25104 14213 1 16 . 1 1 107 107 THR C C 107 174.713 174.713 173.647 1.066 25104 14214 1 16 . 1 1 107 107 THR CA C 107 60.294 60.294 62.345 -2.051 25104 14215 1 16 . 1 1 107 107 THR CB C 107 69.030 69.030 69.601 -0.571 25104 14216 1 16 . 1 1 107 107 THR H H 107 10.191 10.191 7.557 2.634 25104 14217 1 16 . 1 1 108 108 ASN N N 108 120.592 120.592 120.677 -0.085 25104 14218 1 16 . 1 1 108 108 ASN HA H 108 4.210 4.210 4.304 -0.094 25104 14219 1 16 . 1 1 108 108 ASN C C 108 175.078 175.078 175.366 -0.288 25104 14220 1 16 . 1 1 108 108 ASN CA C 108 55.287 55.287 53.534 1.753 25104 14221 1 16 . 1 1 108 108 ASN CB C 108 39.036 39.036 38.542 0.494 25104 14222 1 16 . 1 1 108 108 ASN H H 108 7.410 7.410 7.390 0.020 25104 14223 1 16 . 1 1 109 109 GLY N N 109 110.835 110.835 112.072 -1.237 25104 14224 1 16 . 1 1 109 109 GLY C C 109 172.087 172.087 173.578 -1.491 25104 14225 1 16 . 1 1 109 109 GLY CA C 109 45.940 45.940 44.986 0.954 25104 14226 1 16 . 1 1 109 109 GLY H H 109 9.192 9.192 8.106 1.086 25104 14227 1 16 . 1 1 110 110 SER N N 110 117.149 117.149 116.679 0.470 25104 14228 1 16 . 1 1 110 110 SER HA H 110 4.751 4.751 4.910 -0.159 25104 14229 1 16 . 1 1 110 110 SER C C 110 177.075 177.075 174.503 2.572 25104 14230 1 16 . 1 1 110 110 SER CA C 110 57.526 57.526 57.050 0.476 25104 14231 1 16 . 1 1 110 110 SER CB C 110 66.180 66.180 64.959 1.221 25104 14232 1 16 . 1 1 110 110 SER H H 110 8.793 8.793 7.561 1.232 25104 14233 1 16 . 1 1 111 111 GLN N N 111 124.594 124.594 121.572 3.022 25104 14234 1 16 . 1 1 111 111 GLN HA H 111 4.225 4.225 3.894 0.331 25104 14235 1 16 . 1 1 111 111 GLN C C 111 179.174 179.174 175.035 4.139 25104 14236 1 16 . 1 1 111 111 GLN CA C 111 58.144 58.144 57.787 0.357 25104 14237 1 16 . 1 1 111 111 GLN CB C 111 31.558 31.558 28.370 3.188 25104 14238 1 16 . 1 1 111 111 GLN H H 111 8.438 8.438 8.390 0.048 25104 14239 1 16 . 1 1 112 112 PHE N N 112 118.008 118.008 113.989 4.019 25104 14240 1 16 . 1 1 112 112 PHE HA H 112 5.806 5.806 4.973 0.833 25104 14241 1 16 . 1 1 112 112 PHE C C 112 172.840 172.840 173.323 -0.483 25104 14242 1 16 . 1 1 112 112 PHE CA C 112 55.584 55.584 56.129 -0.545 25104 14243 1 16 . 1 1 112 112 PHE CB C 112 43.323 43.323 42.461 0.862 25104 14244 1 16 . 1 1 112 112 PHE H H 112 8.120 8.120 7.990 0.130 25104 14245 1 16 . 1 1 113 113 PHE N N 113 116.406 116.406 114.401 2.005 25104 14246 1 16 . 1 1 113 113 PHE HA H 113 5.739 5.739 5.240 0.499 25104 14247 1 16 . 1 1 113 113 PHE C C 113 175.349 175.349 173.185 2.164 25104 14248 1 16 . 1 1 113 113 PHE CA C 113 54.684 54.684 55.753 -1.069 25104 14249 1 16 . 1 1 113 113 PHE CB C 113 42.825 42.825 42.762 0.063 25104 14250 1 16 . 1 1 113 113 PHE H H 113 9.832 9.832 8.737 1.095 25104 14251 1 16 . 1 1 114 114 ILE N N 114 118.683 118.683 119.871 -1.188 25104 14252 1 16 . 1 1 114 114 ILE HA H 114 4.842 4.842 5.037 -0.195 25104 14253 1 16 . 1 1 114 114 ILE C C 114 178.414 178.414 175.680 2.734 25104 14254 1 16 . 1 1 114 114 ILE CA C 114 60.265 60.265 59.882 0.383 25104 14255 1 16 . 1 1 114 114 ILE CB C 114 40.466 40.466 40.141 0.325 25104 14256 1 16 . 1 1 114 114 ILE H H 114 9.156 9.156 8.511 0.645 25104 14257 1 16 . 1 1 115 115 CYS N N 115 125.524 125.524 128.072 -2.548 25104 14258 1 16 . 1 1 115 115 CYS HA H 115 4.808 4.808 4.788 0.020 25104 14259 1 16 . 1 1 115 115 CYS C C 115 177.658 177.658 176.462 1.196 25104 14260 1 16 . 1 1 115 115 CYS CA C 115 60.803 60.803 58.075 2.728 25104 14261 1 16 . 1 1 115 115 CYS CB C 115 28.723 28.723 26.031 2.692 25104 14262 1 16 . 1 1 115 115 CYS H H 115 9.616 9.616 9.038 0.578 25104 14263 1 16 . 1 1 116 116 THR N N 116 115.801 115.801 118.130 -2.329 25104 14264 1 16 . 1 1 116 116 THR HA H 116 4.380 4.380 4.263 0.117 25104 14265 1 16 . 1 1 116 116 THR C C 116 178.496 178.496 174.640 3.856 25104 14266 1 16 . 1 1 116 116 THR CA C 116 60.844 60.844 64.285 -3.441 25104 14267 1 16 . 1 1 116 116 THR CB C 116 66.730 66.730 69.164 -2.434 25104 14268 1 16 . 1 1 116 116 THR H H 116 8.990 8.990 8.269 0.721 25104 14269 1 16 . 1 1 117 117 ALA N N 117 122.356 122.356 125.016 -2.660 25104 14270 1 16 . 1 1 117 117 ALA HA H 117 4.420 4.420 4.539 -0.119 25104 14271 1 16 . 1 1 117 117 ALA C C 117 176.114 176.114 176.675 -0.561 25104 14272 1 16 . 1 1 117 117 ALA CA C 117 50.668 50.668 50.543 0.125 25104 14273 1 16 . 1 1 117 117 ALA CB C 117 22.795 22.795 20.623 2.171 25104 14274 1 16 . 1 1 117 117 ALA H H 117 7.641 7.641 7.281 0.360 25104 14275 1 16 . 1 1 118 118 LYS N N 118 119.855 119.855 120.811 -0.956 25104 14276 1 16 . 1 1 118 118 LYS HA H 118 3.840 3.840 4.363 -0.523 25104 14277 1 16 . 1 1 118 118 LYS C C 118 177.211 177.211 176.427 0.784 25104 14278 1 16 . 1 1 118 118 LYS CA C 118 57.913 57.913 55.909 2.004 25104 14279 1 16 . 1 1 118 118 LYS CB C 118 32.708 32.708 30.364 2.344 25104 14280 1 16 . 1 1 118 118 LYS H H 118 8.693 8.693 8.443 0.250 25104 14281 1 16 . 1 1 119 119 THR N N 119 119.004 119.004 116.050 2.954 25104 14282 1 16 . 1 1 119 119 THR HA H 119 3.730 3.730 3.536 0.194 25104 14283 1 16 . 1 1 119 119 THR C C 119 177.928 177.928 175.126 2.802 25104 14284 1 16 . 1 1 119 119 THR CA C 119 57.301 57.301 60.334 -3.033 25104 14285 1 16 . 1 1 119 119 THR CB C 119 68.717 68.717 67.770 0.947 25104 14286 1 16 . 1 1 119 119 THR H H 119 7.373 7.373 8.108 -0.735 25104 14287 1 16 . 1 1 120 120 GLU N N 120 124.713 124.713 124.752 -0.039 25104 14288 1 16 . 1 1 120 120 GLU HA H 120 4.162 4.162 4.196 -0.034 25104 14289 1 16 . 1 1 120 120 GLU C C 120 178.190 178.190 177.807 0.383 25104 14290 1 16 . 1 1 120 120 GLU CA C 120 59.334 59.334 58.586 0.749 25104 14291 1 16 . 1 1 120 120 GLU CB C 120 29.322 29.322 29.395 -0.073 25104 14292 1 16 . 1 1 120 120 GLU H H 120 9.139 9.139 7.850 1.289 25104 14293 1 16 . 1 1 121 121 TRP N N 121 117.782 117.782 117.494 0.288 25104 14294 1 16 . 1 1 121 121 TRP HA H 121 4.716 4.716 4.537 0.179 25104 14295 1 16 . 1 1 121 121 TRP C C 121 177.244 177.244 176.621 0.623 25104 14296 1 16 . 1 1 121 121 TRP CA C 121 59.748 59.748 57.516 2.232 25104 14297 1 16 . 1 1 121 121 TRP CB C 121 26.947 26.947 28.591 -1.644 25104 14298 1 16 . 1 1 121 121 TRP H H 121 7.297 7.297 7.724 -0.427 25104 14299 1 16 . 1 1 122 122 LEU N N 122 119.806 119.806 118.758 1.048 25104 14300 1 16 . 1 1 122 122 LEU HA H 122 4.315 4.315 4.176 0.139 25104 14301 1 16 . 1 1 122 122 LEU C C 122 173.304 173.304 176.270 -2.966 25104 14302 1 16 . 1 1 122 122 LEU CA C 122 54.543 54.543 54.209 0.334 25104 14303 1 16 . 1 1 122 122 LEU CB C 122 39.075 39.075 40.635 -1.560 25104 14304 1 16 . 1 1 122 122 LEU H H 122 7.037 7.037 6.857 0.180 25104 14305 1 16 . 1 1 123 123 ASP N N 123 122.205 122.205 120.480 1.725 25104 14306 1 16 . 1 1 123 123 ASP HA H 123 5.222 5.222 4.695 0.527 25104 14307 1 16 . 1 1 123 123 ASP C C 123 179.276 179.276 177.115 2.161 25104 14308 1 16 . 1 1 123 123 ASP CA C 123 55.889 55.889 55.546 0.343 25104 14309 1 16 . 1 1 123 123 ASP CB C 123 39.517 39.517 41.544 -2.027 25104 14310 1 16 . 1 1 123 123 ASP H H 123 7.643 7.643 7.311 0.332 25104 14311 1 16 . 1 1 124 124 GLY N N 124 111.205 111.205 110.536 0.669 25104 14312 1 16 . 1 1 124 124 GLY C C 124 173.148 173.148 174.469 -1.321 25104 14313 1 16 . 1 1 124 124 GLY CA C 124 45.114 45.114 45.246 -0.132 25104 14314 1 16 . 1 1 124 124 GLY H H 124 9.550 9.550 8.740 0.810 25104 14315 1 16 . 1 1 125 125 LYS N N 125 115.408 115.408 121.165 -5.757 25104 14316 1 16 . 1 1 125 125 LYS HA H 125 4.173 4.173 4.678 -0.505 25104 14317 1 16 . 1 1 125 125 LYS C C 125 176.351 176.351 175.924 0.427 25104 14318 1 16 . 1 1 125 125 LYS CA C 125 56.341 56.341 55.170 1.171 25104 14319 1 16 . 1 1 125 125 LYS CB C 125 35.504 35.504 33.502 2.002 25104 14320 1 16 . 1 1 125 125 LYS H H 125 7.765 7.765 7.513 0.252 25104 14321 1 16 . 1 1 126 126 HIS N N 126 119.526 119.526 115.584 3.942 25104 14322 1 16 . 1 1 126 126 HIS HA H 126 4.863 4.863 4.608 0.255 25104 14323 1 16 . 1 1 126 126 HIS C C 126 174.784 174.784 175.733 -0.949 25104 14324 1 16 . 1 1 126 126 HIS CA C 126 54.923 54.923 55.757 -0.834 25104 14325 1 16 . 1 1 126 126 HIS CB C 126 31.675 31.675 30.004 1.671 25104 14326 1 16 . 1 1 126 126 HIS H H 126 7.600 7.600 8.432 -0.832 25104 14327 1 16 . 1 1 127 127 VAL N N 127 125.009 125.009 116.113 8.896 25104 14328 1 16 . 1 1 127 127 VAL HA H 127 4.307 4.307 4.072 0.235 25104 14329 1 16 . 1 1 127 127 VAL C C 127 176.442 176.442 176.282 0.160 25104 14330 1 16 . 1 1 127 127 VAL CA C 127 63.893 63.893 61.658 2.235 25104 14331 1 16 . 1 1 127 127 VAL CB C 127 33.553 33.553 32.395 1.158 25104 14332 1 16 . 1 1 127 127 VAL H H 127 8.523 8.523 8.066 0.457 25104 14333 1 16 . 1 1 128 128 VAL N N 128 133.065 133.065 122.848 10.217 25104 14334 1 16 . 1 1 128 128 VAL HA H 128 4.176 4.176 3.763 0.413 25104 14335 1 16 . 1 1 128 128 VAL C C 128 176.113 176.113 175.683 0.430 25104 14336 1 16 . 1 1 128 128 VAL CA C 128 63.172 63.172 63.945 -0.773 25104 14337 1 16 . 1 1 128 128 VAL CB C 128 31.612 31.612 32.025 -0.413 25104 14338 1 16 . 1 1 128 128 VAL H H 128 9.474 9.474 7.729 1.745 25104 14339 1 16 . 1 1 129 129 PHE N N 129 117.892 117.892 117.769 0.123 25104 14340 1 16 . 1 1 129 129 PHE HA H 129 5.308 5.308 4.939 0.369 25104 14341 1 16 . 1 1 129 129 PHE C C 129 173.725 173.725 174.243 -0.518 25104 14342 1 16 . 1 1 129 129 PHE CA C 129 55.969 55.969 56.852 -0.883 25104 14343 1 16 . 1 1 129 129 PHE CB C 129 42.581 42.581 41.540 1.041 25104 14344 1 16 . 1 1 129 129 PHE H H 129 8.138 8.138 7.861 0.277 25104 14345 1 16 . 1 1 130 130 GLY N N 130 110.747 110.747 106.222 4.525 25104 14346 1 16 . 1 1 130 130 GLY C C 130 171.591 171.591 171.667 -0.076 25104 14347 1 16 . 1 1 130 130 GLY CA C 130 46.505 46.505 44.914 1.591 25104 14348 1 16 . 1 1 130 130 GLY H H 130 7.356 7.356 7.218 0.139 25104 14349 1 16 . 1 1 131 131 LYS N N 131 115.453 115.453 119.496 -4.043 25104 14350 1 16 . 1 1 131 131 LYS HA H 131 5.246 5.246 4.983 0.263 25104 14351 1 16 . 1 1 131 131 LYS C C 131 176.109 176.109 174.980 1.129 25104 14352 1 16 . 1 1 131 131 LYS CA C 131 54.887 54.887 55.366 -0.479 25104 14353 1 16 . 1 1 131 131 LYS CB C 131 36.077 36.077 37.287 -1.210 25104 14354 1 16 . 1 1 131 131 LYS H H 131 8.390 8.390 8.370 0.020 25104 14355 1 16 . 1 1 132 132 VAL N N 132 124.311 124.311 126.083 -1.772 25104 14356 1 16 . 1 1 132 132 VAL HA H 132 3.955 3.955 3.888 0.067 25104 14357 1 16 . 1 1 132 132 VAL C C 132 176.489 176.489 175.301 1.188 25104 14358 1 16 . 1 1 132 132 VAL CA C 132 64.284 64.284 63.620 0.664 25104 14359 1 16 . 1 1 132 132 VAL CB C 132 32.709 32.709 32.407 0.302 25104 14360 1 16 . 1 1 132 132 VAL H H 132 9.071 9.071 8.452 0.619 25104 14361 1 16 . 1 1 133 133 LYS N N 133 131.670 131.670 127.411 4.259 25104 14362 1 16 . 1 1 133 133 LYS HA H 133 4.483 4.483 4.535 -0.052 25104 14363 1 16 . 1 1 133 133 LYS C C 133 176.283 176.283 177.168 -0.885 25104 14364 1 16 . 1 1 133 133 LYS CA C 133 56.978 56.978 56.491 0.487 25104 14365 1 16 . 1 1 133 133 LYS CB C 133 34.028 34.028 33.691 0.337 25104 14366 1 16 . 1 1 133 133 LYS H H 133 9.494 9.494 8.551 0.943 25104 14367 1 16 . 1 1 134 134 GLU N N 134 118.417 118.417 120.469 -2.052 25104 14368 1 16 . 1 1 134 134 GLU HA H 134 4.639 4.639 4.560 0.079 25104 14369 1 16 . 1 1 134 134 GLU C C 134 175.925 175.925 176.376 -0.451 25104 14370 1 16 . 1 1 134 134 GLU CA C 134 55.235 55.235 55.075 0.160 25104 14371 1 16 . 1 1 134 134 GLU CB C 134 32.909 32.909 31.705 1.204 25104 14372 1 16 . 1 1 134 134 GLU H H 134 7.571 7.571 7.961 -0.390 25104 14373 1 16 . 1 1 135 135 GLY N N 135 108.109 108.109 112.043 -3.934 25104 14374 1 16 . 1 1 135 135 GLY C C 135 178.060 178.060 175.373 2.687 25104 14375 1 16 . 1 1 135 135 GLY CA C 135 46.195 46.195 45.629 0.566 25104 14376 1 16 . 1 1 135 135 GLY H H 135 8.695 8.695 8.839 -0.144 25104 14377 1 16 . 1 1 136 136 MET N N 136 122.582 122.582 119.326 3.256 25104 14378 1 16 . 1 1 136 136 MET HA H 136 4.496 4.496 4.049 0.447 25104 14379 1 16 . 1 1 136 136 MET C C 136 178.649 178.649 176.927 1.722 25104 14380 1 16 . 1 1 136 136 MET CA C 136 56.829 56.829 57.563 -0.734 25104 14381 1 16 . 1 1 136 136 MET CB C 136 30.215 30.215 32.465 -2.251 25104 14382 1 16 . 1 1 136 136 MET H H 136 8.854 8.854 8.543 0.311 25104 14383 1 16 . 1 1 137 137 ASN N N 137 114.457 114.457 116.757 -2.300 25104 14384 1 16 . 1 1 137 137 ASN HA H 137 4.504 4.504 4.673 -0.169 25104 14385 1 16 . 1 1 137 137 ASN C C 137 178.441 178.441 177.829 0.612 25104 14386 1 16 . 1 1 137 137 ASN CA C 137 55.819 55.819 56.429 -0.610 25104 14387 1 16 . 1 1 137 137 ASN CB C 137 36.016 36.016 37.900 -1.884 25104 14388 1 16 . 1 1 137 137 ASN H H 137 8.932 8.932 8.563 0.369 25104 14389 1 16 . 1 1 138 138 ILE N N 138 124.190 124.190 119.391 4.799 25104 14390 1 16 . 1 1 138 138 ILE HA H 138 3.800 3.800 3.881 -0.081 25104 14391 1 16 . 1 1 138 138 ILE C C 138 178.595 178.595 177.411 1.184 25104 14392 1 16 . 1 1 138 138 ILE CA C 138 61.581 61.581 63.423 -1.842 25104 14393 1 16 . 1 1 138 138 ILE CB C 138 34.468 34.468 36.749 -2.281 25104 14394 1 16 . 1 1 138 138 ILE H H 138 7.686 7.686 7.722 -0.036 25104 14395 1 16 . 1 1 139 139 VAL N N 139 121.912 121.912 120.377 1.535 25104 14396 1 16 . 1 1 139 139 VAL HA H 139 3.879 3.879 3.636 0.243 25104 14397 1 16 . 1 1 139 139 VAL C C 139 179.051 179.051 178.601 0.450 25104 14398 1 16 . 1 1 139 139 VAL CA C 139 66.206 66.206 66.829 -0.623 25104 14399 1 16 . 1 1 139 139 VAL CB C 139 31.195 31.195 30.748 0.447 25104 14400 1 16 . 1 1 139 139 VAL H H 139 7.286 7.286 7.721 -0.435 25104 14401 1 16 . 1 1 140 140 GLU N N 140 117.357 117.357 119.004 -1.647 25104 14402 1 16 . 1 1 140 140 GLU HA H 140 4.095 4.095 3.969 0.126 25104 14403 1 16 . 1 1 140 140 GLU C C 140 180.486 180.486 178.663 1.823 25104 14404 1 16 . 1 1 140 140 GLU CA C 140 59.336 59.336 59.252 0.084 25104 14405 1 16 . 1 1 140 140 GLU CB C 140 30.199 30.199 29.341 0.858 25104 14406 1 16 . 1 1 140 140 GLU H H 140 8.309 8.309 8.059 0.250 25104 14407 1 16 . 1 1 141 141 ALA N N 141 121.133 121.133 121.598 -0.465 25104 14408 1 16 . 1 1 141 141 ALA HA H 141 4.118 4.118 4.082 0.036 25104 14409 1 16 . 1 1 141 141 ALA C C 141 181.524 181.524 179.807 1.717 25104 14410 1 16 . 1 1 141 141 ALA CA C 141 54.771 54.771 54.935 -0.164 25104 14411 1 16 . 1 1 141 141 ALA CB C 141 18.207 18.207 18.522 -0.315 25104 14412 1 16 . 1 1 141 141 ALA H H 141 7.539 7.539 7.786 -0.247 25104 14413 1 16 . 1 1 142 142 MET N N 142 117.513 117.513 116.203 1.310 25104 14414 1 16 . 1 1 142 142 MET HA H 142 3.993 3.993 4.654 -0.661 25104 14415 1 16 . 1 1 142 142 MET C C 142 178.862 178.862 178.487 0.375 25104 14416 1 16 . 1 1 142 142 MET CA C 142 59.678 59.678 58.698 0.980 25104 14417 1 16 . 1 1 142 142 MET CB C 142 33.723 33.723 32.417 1.306 25104 14418 1 16 . 1 1 142 142 MET H H 142 8.284 8.284 8.179 0.105 25104 14419 1 16 . 1 1 143 143 GLU N N 143 116.365 116.365 120.874 -4.509 25104 14420 1 16 . 1 1 143 143 GLU HA H 143 3.772 3.772 4.123 -0.351 25104 14421 1 16 . 1 1 143 143 GLU C C 143 179.051 179.051 178.811 0.240 25104 14422 1 16 . 1 1 143 143 GLU CA C 143 59.345 59.345 59.288 0.057 25104 14423 1 16 . 1 1 143 143 GLU CB C 143 30.470 30.470 29.380 1.090 25104 14424 1 16 . 1 1 143 143 GLU H H 143 7.853 7.853 8.176 -0.323 25104 14425 1 16 . 1 1 144 144 ARG N N 144 114.753 114.753 117.167 -2.414 25104 14426 1 16 . 1 1 144 144 ARG HA H 144 3.978 3.978 4.100 -0.122 25104 14427 1 16 . 1 1 144 144 ARG C C 144 178.222 178.222 177.425 0.797 25104 14428 1 16 . 1 1 144 144 ARG CA C 144 57.669 57.669 57.760 -0.091 25104 14429 1 16 . 1 1 144 144 ARG CB C 144 29.523 29.523 30.056 -0.533 25104 14430 1 16 . 1 1 144 144 ARG H H 144 7.082 7.082 7.387 -0.305 25104 14431 1 16 . 1 1 145 145 PHE N N 145 115.388 115.388 117.136 -1.748 25104 14432 1 16 . 1 1 145 145 PHE HA H 145 4.851 4.851 4.518 0.333 25104 14433 1 16 . 1 1 145 145 PHE C C 145 176.868 176.868 175.247 1.621 25104 14434 1 16 . 1 1 145 145 PHE CA C 145 57.717 57.717 58.974 -1.257 25104 14435 1 16 . 1 1 145 145 PHE CB C 145 38.998 38.998 38.882 0.116 25104 14436 1 16 . 1 1 145 145 PHE H H 145 7.651 7.651 7.460 0.191 25104 14437 1 16 . 1 1 146 146 GLY N N 146 104.842 104.842 106.683 -1.841 25104 14438 1 16 . 1 1 146 146 GLY C C 146 172.946 172.946 173.493 -0.547 25104 14439 1 16 . 1 1 146 146 GLY CA C 146 44.065 44.065 44.205 -0.140 25104 14440 1 16 . 1 1 146 146 GLY H H 146 7.551 7.551 7.504 0.047 25104 14441 1 16 . 1 1 147 147 SER N N 147 110.079 110.079 112.911 -2.832 25104 14442 1 16 . 1 1 147 147 SER HA H 147 4.813 4.813 4.853 -0.040 25104 14443 1 16 . 1 1 147 147 SER C C 147 176.384 176.384 175.652 0.732 25104 14444 1 16 . 1 1 147 147 SER CA C 147 58.165 58.165 57.048 1.117 25104 14445 1 16 . 1 1 147 147 SER CB C 147 65.804 65.804 66.659 -0.855 25104 14446 1 16 . 1 1 147 147 SER H H 147 8.229 8.229 8.052 0.177 25104 14447 1 16 . 1 1 148 148 ARG N N 148 120.299 120.299 121.118 -0.819 25104 14448 1 16 . 1 1 148 148 ARG HA H 148 4.221 4.221 4.154 0.067 25104 14449 1 16 . 1 1 148 148 ARG C C 148 177.709 177.709 176.548 1.161 25104 14450 1 16 . 1 1 148 148 ARG CA C 148 59.810 59.810 58.458 1.352 25104 14451 1 16 . 1 1 148 148 ARG CB C 148 29.896 29.896 30.011 -0.115 25104 14452 1 16 . 1 1 148 148 ARG H H 148 8.850 8.850 8.792 0.058 25104 14453 1 16 . 1 1 149 149 ASN N N 149 111.689 111.689 113.684 -1.995 25104 14454 1 16 . 1 1 149 149 ASN HA H 149 4.901 4.901 4.707 0.194 25104 14455 1 16 . 1 1 149 149 ASN C C 149 177.708 177.708 175.947 1.761 25104 14456 1 16 . 1 1 149 149 ASN CA C 149 52.305 52.305 53.180 -0.875 25104 14457 1 16 . 1 1 149 149 ASN CB C 149 38.477 38.477 38.170 0.307 25104 14458 1 16 . 1 1 149 149 ASN H H 149 7.891 7.891 8.109 -0.218 25104 14459 1 16 . 1 1 150 150 GLY N N 150 110.138 110.138 107.756 2.382 25104 14460 1 16 . 1 1 150 150 GLY C C 150 174.368 174.368 173.624 0.744 25104 14461 1 16 . 1 1 150 150 GLY CA C 150 45.257 45.257 44.739 0.518 25104 14462 1 16 . 1 1 150 150 GLY H H 150 8.087 8.087 7.934 0.153 25104 14463 1 16 . 1 1 151 151 LYS N N 151 119.859 119.859 122.876 -3.017 25104 14464 1 16 . 1 1 151 151 LYS HA H 151 4.466 4.466 4.349 0.117 25104 14465 1 16 . 1 1 151 151 LYS C C 151 179.533 179.533 175.737 3.796 25104 14466 1 16 . 1 1 151 151 LYS CA C 151 57.088 57.088 56.448 0.640 25104 14467 1 16 . 1 1 151 151 LYS CB C 151 32.435 32.435 33.491 -1.056 25104 14468 1 16 . 1 1 151 151 LYS H H 151 7.534 7.534 7.952 -0.418 25104 14469 1 16 . 1 1 152 152 THR N N 152 116.442 116.442 116.235 0.207 25104 14470 1 16 . 1 1 152 152 THR HA H 152 5.579 5.579 4.689 0.890 25104 14471 1 16 . 1 1 152 152 THR C C 152 176.969 176.969 174.701 2.268 25104 14472 1 16 . 1 1 152 152 THR CA C 152 60.097 60.097 60.787 -0.690 25104 14473 1 16 . 1 1 152 152 THR CB C 152 71.324 71.324 69.665 1.659 25104 14474 1 16 . 1 1 152 152 THR H H 152 8.837 8.837 8.198 0.639 25104 14475 1 16 . 1 1 153 153 SER N N 153 117.113 117.113 121.487 -4.374 25104 14476 1 16 . 1 1 153 153 SER HA H 153 4.574 4.574 4.284 0.290 25104 14477 1 16 . 1 1 153 153 SER C C 153 175.737 175.737 174.406 1.331 25104 14478 1 16 . 1 1 153 153 SER CA C 153 58.222 58.222 60.945 -2.723 25104 14479 1 16 . 1 1 153 153 SER CB C 153 63.922 63.922 63.705 0.217 25104 14480 1 16 . 1 1 153 153 SER H H 153 9.424 9.424 8.901 0.523 25104 14481 1 16 . 1 1 154 154 LYS N N 154 119.347 119.347 119.897 -0.550 25104 14482 1 16 . 1 1 154 154 LYS HA H 154 4.594 4.594 4.570 0.024 25104 14483 1 16 . 1 1 154 154 LYS C C 154 175.436 175.436 175.665 -0.229 25104 14484 1 16 . 1 1 154 154 LYS CA C 154 54.578 54.578 53.426 1.151 25104 14485 1 16 . 1 1 154 154 LYS CB C 154 38.443 38.443 33.773 4.670 25104 14486 1 16 . 1 1 154 154 LYS H H 154 7.566 7.566 7.424 0.142 25104 14487 1 16 . 1 1 155 155 LYS N N 155 121.869 121.869 124.555 -2.686 25104 14488 1 16 . 1 1 155 155 LYS HA H 155 4.348 4.348 4.448 -0.100 25104 14489 1 16 . 1 1 155 155 LYS C C 155 176.946 176.946 176.052 0.894 25104 14490 1 16 . 1 1 155 155 LYS CA C 155 56.325 56.325 54.664 1.661 25104 14491 1 16 . 1 1 155 155 LYS CB C 155 32.136 32.136 30.744 1.391 25104 14492 1 16 . 1 1 155 155 LYS H H 155 8.820 8.820 8.462 0.358 25104 14493 1 16 . 1 1 156 156 ILE N N 156 134.145 134.145 127.405 6.740 25104 14494 1 16 . 1 1 156 156 ILE HA H 156 5.134 5.134 4.899 0.235 25104 14495 1 16 . 1 1 156 156 ILE C C 156 177.451 177.451 175.932 1.519 25104 14496 1 16 . 1 1 156 156 ILE CA C 156 59.538 59.538 61.166 -1.627 25104 14497 1 16 . 1 1 156 156 ILE CB C 156 37.167 37.167 38.442 -1.275 25104 14498 1 16 . 1 1 156 156 ILE H H 156 9.609 9.609 8.006 1.603 25104 14499 1 16 . 1 1 157 157 THR N N 157 117.447 117.447 118.032 -0.585 25104 14500 1 16 . 1 1 157 157 THR HA H 157 5.311 5.311 5.441 -0.130 25104 14501 1 16 . 1 1 157 157 THR C C 157 174.572 174.572 174.347 0.225 25104 14502 1 16 . 1 1 157 157 THR CA C 157 59.679 59.679 59.782 -0.103 25104 14503 1 16 . 1 1 157 157 THR CB C 157 72.708 72.708 72.430 0.278 25104 14504 1 16 . 1 1 157 157 THR H H 157 9.281 9.281 9.041 0.240 25104 14505 1 16 . 1 1 158 158 ILE N N 158 121.950 121.950 124.028 -2.078 25104 14506 1 16 . 1 1 158 158 ILE HA H 158 4.293 4.293 4.350 -0.057 25104 14507 1 16 . 1 1 158 158 ILE C C 158 175.631 175.631 176.812 -1.181 25104 14508 1 16 . 1 1 158 158 ILE CA C 158 60.992 60.992 62.036 -1.044 25104 14509 1 16 . 1 1 158 158 ILE CB C 158 36.826 36.826 36.648 0.178 25104 14510 1 16 . 1 1 158 158 ILE H H 158 8.624 8.624 8.378 0.246 25104 14511 1 16 . 1 1 159 159 ALA N N 159 132.727 132.727 131.900 0.827 25104 14512 1 16 . 1 1 159 159 ALA HA H 159 4.179 4.179 4.079 0.100 25104 14513 1 16 . 1 1 159 159 ALA C C 159 179.489 179.489 177.293 2.196 25104 14514 1 16 . 1 1 159 159 ALA CA C 159 54.243 54.243 54.412 -0.169 25104 14515 1 16 . 1 1 159 159 ALA CB C 159 18.804 18.804 19.281 -0.477 25104 14516 1 16 . 1 1 159 159 ALA H H 159 8.910 8.910 8.675 0.235 25104 14517 1 16 . 1 1 160 160 ASP N N 160 111.561 111.561 112.366 -0.805 25104 14518 1 16 . 1 1 160 160 ASP HA H 160 4.937 4.937 4.950 -0.013 25104 14519 1 16 . 1 1 160 160 ASP C C 160 173.920 173.920 174.380 -0.460 25104 14520 1 16 . 1 1 160 160 ASP CA C 160 52.873 52.873 53.681 -0.808 25104 14521 1 16 . 1 1 160 160 ASP CB C 160 43.620 43.620 43.541 0.079 25104 14522 1 16 . 1 1 160 160 ASP H H 160 8.107 8.107 7.726 0.381 25104 14523 1 16 . 1 1 161 161 CYS N N 161 116.145 116.145 117.285 -1.140 25104 14524 1 16 . 1 1 161 161 CYS HA H 161 4.626 4.626 5.733 -1.107 25104 14525 1 16 . 1 1 161 161 CYS C C 161 173.426 173.426 174.568 -1.142 25104 14526 1 16 . 1 1 161 161 CYS CA C 161 55.518 55.518 56.341 -0.823 25104 14527 1 16 . 1 1 161 161 CYS CB C 161 31.463 31.463 32.185 -0.722 25104 14528 1 16 . 1 1 161 161 CYS H H 161 8.640 8.640 8.593 0.047 25104 14529 1 16 . 1 1 162 162 GLY N N 162 104.114 104.114 108.482 -4.368 25104 14530 1 16 . 1 1 162 162 GLY C C 162 171.116 171.116 173.394 -2.278 25104 14531 1 16 . 1 1 162 162 GLY CA C 162 45.436 45.436 44.773 0.663 25104 14532 1 16 . 1 1 162 162 GLY H H 162 6.889 6.889 8.487 -1.598 25104 14533 1 16 . 1 1 163 163 GLN N N 163 121.022 121.022 118.874 2.148 25104 14534 1 16 . 1 1 163 163 GLN HA H 163 5.150 5.150 4.229 0.921 25104 14535 1 16 . 1 1 163 163 GLN C C 163 176.548 176.548 174.516 2.032 25104 14536 1 16 . 1 1 163 163 GLN CA C 163 54.794 54.794 56.034 -1.240 25104 14537 1 16 . 1 1 163 163 GLN CB C 163 30.765 30.765 29.129 1.636 25104 14538 1 16 . 1 1 163 163 GLN H H 163 9.062 9.062 7.944 1.119 25104 14539 1 16 . 1 1 164 164 LEU N N 164 126.034 126.034 126.895 -0.861 25104 14540 1 16 . 1 1 164 164 LEU HA H 164 4.641 4.641 4.386 0.255 25104 14541 1 16 . 1 1 164 164 LEU C C 164 177.108 177.108 175.977 1.131 25104 14542 1 16 . 1 1 164 164 LEU CA C 164 55.036 55.036 54.463 0.573 25104 14543 1 16 . 1 1 164 164 LEU CB C 164 43.560 43.560 41.028 2.532 25104 14544 1 16 . 1 1 164 164 LEU H H 164 8.639 8.639 8.737 -0.098 25104 14545 1 17 . 1 1 2 2 VAL N N 2 111.261 111.261 122.583 -11.322 25104 14546 1 17 . 1 1 2 2 VAL HA H 2 4.126 4.126 4.058 0.068 25104 14547 1 17 . 1 1 2 2 VAL C C 2 176.404 176.404 174.676 1.728 25104 14548 1 17 . 1 1 2 2 VAL CA C 2 61.417 61.417 62.400 -0.983 25104 14549 1 17 . 1 1 2 2 VAL CB C 2 33.763 33.763 32.456 1.307 25104 14550 1 17 . 1 1 2 2 VAL H H 2 8.447 8.447 8.400 0.046 25104 14551 1 17 . 1 1 3 3 ASN N N 3 126.056 126.056 119.162 6.894 25104 14552 1 17 . 1 1 3 3 ASN HA H 3 5.205 5.205 4.885 0.320 25104 14553 1 17 . 1 1 3 3 ASN CA C 3 50.987 50.987 51.887 -0.900 25104 14554 1 17 . 1 1 3 3 ASN CB C 3 38.031 38.031 39.110 -1.079 25104 14555 1 17 . 1 1 3 3 ASN H H 3 8.666 8.666 7.821 0.845 25104 14556 1 17 . 1 1 4 4 PRO HA H 4 4.818 4.818 4.392 0.426 25104 14557 1 17 . 1 1 4 4 PRO C C 4 176.242 176.242 175.971 0.271 25104 14558 1 17 . 1 1 4 4 PRO CA C 4 62.832 62.832 63.120 -0.288 25104 14559 1 17 . 1 1 4 4 PRO CB C 4 33.162 33.162 32.060 1.102 25104 14560 1 17 . 1 1 5 5 THR N N 5 115.265 115.265 121.893 -6.628 25104 14561 1 17 . 1 1 5 5 THR HA H 5 5.759 5.759 5.201 0.558 25104 14562 1 17 . 1 1 5 5 THR C C 5 176.483 176.483 174.127 2.356 25104 14563 1 17 . 1 1 5 5 THR CA C 5 60.867 60.867 61.963 -1.096 25104 14564 1 17 . 1 1 5 5 THR CB C 5 71.050 71.050 69.591 1.460 25104 14565 1 17 . 1 1 5 5 THR H H 5 8.787 8.787 8.252 0.535 25104 14566 1 17 . 1 1 6 6 VAL N N 6 120.640 120.640 122.652 -2.012 25104 14567 1 17 . 1 1 6 6 VAL HA H 6 5.379 5.379 4.421 0.958 25104 14568 1 17 . 1 1 6 6 VAL C C 6 174.710 174.710 173.757 0.953 25104 14569 1 17 . 1 1 6 6 VAL CA C 6 58.881 58.881 60.942 -2.061 25104 14570 1 17 . 1 1 6 6 VAL CB C 6 36.180 36.180 32.912 3.268 25104 14571 1 17 . 1 1 6 6 VAL H H 6 8.805 8.805 8.303 0.502 25104 14572 1 17 . 1 1 7 7 PHE N N 7 119.359 119.359 127.356 -7.997 25104 14573 1 17 . 1 1 7 7 PHE HA H 7 5.948 5.948 4.604 1.344 25104 14574 1 17 . 1 1 7 7 PHE C C 7 173.634 173.634 173.339 0.295 25104 14575 1 17 . 1 1 7 7 PHE CA C 7 55.925 55.925 56.607 -0.682 25104 14576 1 17 . 1 1 7 7 PHE CB C 7 43.166 43.166 42.053 1.113 25104 14577 1 17 . 1 1 7 7 PHE H H 7 8.995 8.995 8.361 0.634 25104 14578 1 17 . 1 1 8 8 PHE N N 8 117.097 117.097 122.303 -5.206 25104 14579 1 17 . 1 1 8 8 PHE HA H 8 5.367 5.367 4.996 0.371 25104 14580 1 17 . 1 1 8 8 PHE C C 8 176.000 176.000 173.959 2.041 25104 14581 1 17 . 1 1 8 8 PHE CA C 8 53.460 53.460 55.893 -2.433 25104 14582 1 17 . 1 1 8 8 PHE CB C 8 42.791 42.791 43.589 -0.798 25104 14583 1 17 . 1 1 8 8 PHE H H 8 9.571 9.571 8.066 1.505 25104 14584 1 17 . 1 1 9 9 ASP N N 9 124.287 124.287 122.431 1.856 25104 14585 1 17 . 1 1 9 9 ASP HA H 9 5.585 5.585 5.119 0.466 25104 14586 1 17 . 1 1 9 9 ASP C C 9 176.286 176.286 174.830 1.456 25104 14587 1 17 . 1 1 9 9 ASP CA C 9 54.831 54.831 53.800 1.031 25104 14588 1 17 . 1 1 9 9 ASP CB C 9 41.366 41.366 43.054 -1.688 25104 14589 1 17 . 1 1 9 9 ASP H H 9 9.301 9.301 8.551 0.750 25104 14590 1 17 . 1 1 10 10 ILE N N 10 124.286 124.286 123.155 1.131 25104 14591 1 17 . 1 1 10 10 ILE HA H 10 5.213 5.213 4.632 0.581 25104 14592 1 17 . 1 1 10 10 ILE C C 10 177.031 177.031 174.724 2.307 25104 14593 1 17 . 1 1 10 10 ILE CA C 10 58.233 58.233 58.916 -0.683 25104 14594 1 17 . 1 1 10 10 ILE CB C 10 37.769 37.769 38.514 -0.745 25104 14595 1 17 . 1 1 10 10 ILE H H 10 9.059 9.059 8.338 0.721 25104 14596 1 17 . 1 1 11 11 ALA N N 11 132.503 132.503 127.977 4.526 25104 14597 1 17 . 1 1 11 11 ALA HA H 11 5.216 5.216 5.021 0.195 25104 14598 1 17 . 1 1 11 11 ALA C C 11 175.928 175.928 175.539 0.389 25104 14599 1 17 . 1 1 11 11 ALA CA C 11 50.948 50.948 50.437 0.511 25104 14600 1 17 . 1 1 11 11 ALA CB C 11 22.804 22.804 22.795 0.009 25104 14601 1 17 . 1 1 11 11 ALA H H 11 9.642 9.642 8.771 0.871 25104 14602 1 17 . 1 1 12 12 VAL N N 12 118.551 118.551 122.176 -3.625 25104 14603 1 17 . 1 1 12 12 VAL HA H 12 4.578 4.578 4.074 0.504 25104 14604 1 17 . 1 1 12 12 VAL C C 12 177.347 177.347 175.734 1.613 25104 14605 1 17 . 1 1 12 12 VAL CA C 12 60.457 60.457 61.552 -1.095 25104 14606 1 17 . 1 1 12 12 VAL CB C 12 33.301 33.301 31.395 1.906 25104 14607 1 17 . 1 1 12 12 VAL H H 12 8.984 8.984 8.429 0.555 25104 14608 1 17 . 1 1 13 13 ASP N N 13 131.009 131.009 128.227 2.782 25104 14609 1 17 . 1 1 13 13 ASP HA H 13 4.359 4.359 4.323 0.036 25104 14610 1 17 . 1 1 13 13 ASP C C 13 176.795 176.795 176.371 0.424 25104 14611 1 17 . 1 1 13 13 ASP CA C 13 55.880 55.880 55.481 0.399 25104 14612 1 17 . 1 1 13 13 ASP CB C 13 39.999 39.999 39.246 0.753 25104 14613 1 17 . 1 1 13 13 ASP H H 13 9.868 9.868 8.836 1.032 25104 14614 1 17 . 1 1 14 14 GLY N N 14 101.848 101.848 104.732 -2.884 25104 14615 1 17 . 1 1 14 14 GLY C C 14 174.700 174.700 174.576 0.124 25104 14616 1 17 . 1 1 14 14 GLY CA C 14 45.303 45.303 45.086 0.217 25104 14617 1 17 . 1 1 14 14 GLY H H 14 8.578 8.578 8.239 0.339 25104 14618 1 17 . 1 1 15 15 GLU N N 15 123.331 123.331 123.098 0.233 25104 14619 1 17 . 1 1 15 15 GLU HA H 15 4.891 4.891 4.742 0.149 25104 14620 1 17 . 1 1 15 15 GLU CA C 15 52.932 52.932 53.238 -0.306 25104 14621 1 17 . 1 1 15 15 GLU CB C 15 30.468 30.468 29.241 1.227 25104 14622 1 17 . 1 1 15 15 GLU H H 15 8.086 8.086 7.689 0.397 25104 14623 1 17 . 1 1 16 16 PRO HA H 16 4.240 4.240 4.426 -0.186 25104 14624 1 17 . 1 1 16 16 PRO C C 16 177.072 177.072 176.114 0.958 25104 14625 1 17 . 1 1 16 16 PRO CA C 16 64.838 64.838 63.323 1.515 25104 14626 1 17 . 1 1 16 16 PRO CB C 16 32.368 32.368 31.811 0.557 25104 14627 1 17 . 1 1 17 17 LEU N N 17 126.051 126.051 126.827 -0.776 25104 14628 1 17 . 1 1 17 17 LEU HA H 17 4.739 4.739 4.495 0.244 25104 14629 1 17 . 1 1 17 17 LEU C C 17 176.975 176.975 176.797 0.178 25104 14630 1 17 . 1 1 17 17 LEU CA C 17 55.511 55.511 55.742 -0.231 25104 14631 1 17 . 1 1 17 17 LEU CB C 17 44.257 44.257 43.082 1.175 25104 14632 1 17 . 1 1 17 17 LEU H H 17 9.237 9.237 8.404 0.833 25104 14633 1 17 . 1 1 18 18 GLY N N 18 102.496 102.496 104.584 -2.088 25104 14634 1 17 . 1 1 18 18 GLY C C 18 170.997 170.997 171.657 -0.660 25104 14635 1 17 . 1 1 18 18 GLY CA C 18 44.713 44.713 44.960 -0.247 25104 14636 1 17 . 1 1 18 18 GLY H H 18 7.303 7.303 7.520 -0.217 25104 14637 1 17 . 1 1 19 19 ARG N N 19 121.330 121.330 119.247 2.083 25104 14638 1 17 . 1 1 19 19 ARG HA H 19 5.665 5.665 4.775 0.890 25104 14639 1 17 . 1 1 19 19 ARG C C 19 176.011 176.011 174.705 1.306 25104 14640 1 17 . 1 1 19 19 ARG CA C 19 55.106 55.106 54.814 0.292 25104 14641 1 17 . 1 1 19 19 ARG CB C 19 33.587 33.587 33.036 0.551 25104 14642 1 17 . 1 1 19 19 ARG H H 19 8.348 8.348 8.285 0.063 25104 14643 1 17 . 1 1 20 20 VAL N N 20 126.859 126.859 121.831 5.028 25104 14644 1 17 . 1 1 20 20 VAL HA H 20 4.650 4.650 4.521 0.129 25104 14645 1 17 . 1 1 20 20 VAL C C 20 174.836 174.836 173.979 0.857 25104 14646 1 17 . 1 1 20 20 VAL CA C 20 59.966 59.966 61.762 -1.796 25104 14647 1 17 . 1 1 20 20 VAL CB C 20 35.034 35.034 35.386 -0.352 25104 14648 1 17 . 1 1 20 20 VAL H H 20 9.400 9.400 8.192 1.208 25104 14649 1 17 . 1 1 21 21 SER N N 21 120.319 120.319 120.570 -0.251 25104 14650 1 17 . 1 1 21 21 SER HA H 21 5.565 5.565 5.161 0.404 25104 14651 1 17 . 1 1 21 21 SER C C 21 174.694 174.694 172.914 1.780 25104 14652 1 17 . 1 1 21 21 SER CA C 21 55.462 55.462 55.885 -0.423 25104 14653 1 17 . 1 1 21 21 SER CB C 21 66.546 66.546 65.602 0.944 25104 14654 1 17 . 1 1 21 21 SER H H 21 8.791 8.791 8.441 0.350 25104 14655 1 17 . 1 1 22 22 PHE N N 22 119.239 119.239 123.276 -4.037 25104 14656 1 17 . 1 1 22 22 PHE HA H 22 5.279 5.279 4.696 0.583 25104 14657 1 17 . 1 1 22 22 PHE C C 22 176.190 176.190 174.682 1.508 25104 14658 1 17 . 1 1 22 22 PHE CA C 22 55.882 55.882 56.635 -0.752 25104 14659 1 17 . 1 1 22 22 PHE CB C 22 42.673 42.673 42.067 0.606 25104 14660 1 17 . 1 1 22 22 PHE H H 22 9.553 9.553 9.030 0.523 25104 14661 1 17 . 1 1 23 23 GLU N N 23 123.308 123.308 121.974 1.334 25104 14662 1 17 . 1 1 23 23 GLU HA H 23 4.797 4.797 4.453 0.344 25104 14663 1 17 . 1 1 23 23 GLU C C 23 175.673 175.673 175.278 0.395 25104 14664 1 17 . 1 1 23 23 GLU CA C 23 55.119 55.119 54.751 0.368 25104 14665 1 17 . 1 1 23 23 GLU CB C 23 32.058 32.058 29.809 2.249 25104 14666 1 17 . 1 1 23 23 GLU H H 23 8.791 8.791 8.668 0.123 25104 14667 1 17 . 1 1 24 24 LEU N N 24 122.539 122.539 127.069 -4.530 25104 14668 1 17 . 1 1 24 24 LEU HA H 24 4.749 4.749 4.464 0.285 25104 14669 1 17 . 1 1 24 24 LEU C C 24 178.229 178.229 176.757 1.472 25104 14670 1 17 . 1 1 24 24 LEU CA C 24 51.899 51.899 54.013 -2.114 25104 14671 1 17 . 1 1 24 24 LEU CB C 24 43.248 43.248 42.324 0.924 25104 14672 1 17 . 1 1 24 24 LEU H H 24 8.198 8.198 8.350 -0.152 25104 14673 1 17 . 1 1 25 25 PHE N N 25 124.715 124.715 123.598 1.117 25104 14674 1 17 . 1 1 25 25 PHE HA H 25 5.171 5.171 4.749 0.422 25104 14675 1 17 . 1 1 25 25 PHE C C 25 177.485 177.485 175.436 2.049 25104 14676 1 17 . 1 1 25 25 PHE CA C 25 54.699 54.699 56.911 -2.212 25104 14677 1 17 . 1 1 25 25 PHE CB C 25 36.100 36.100 36.584 -0.484 25104 14678 1 17 . 1 1 25 25 PHE H H 25 8.864 8.864 8.981 -0.117 25104 14679 1 17 . 1 1 26 26 ALA N N 26 128.663 128.663 123.944 4.719 25104 14680 1 17 . 1 1 26 26 ALA HA H 26 3.838 3.838 4.409 -0.571 25104 14681 1 17 . 1 1 26 26 ALA C C 26 177.291 177.291 178.061 -0.770 25104 14682 1 17 . 1 1 26 26 ALA CA C 26 54.316 54.316 54.011 0.305 25104 14683 1 17 . 1 1 26 26 ALA CB C 26 19.002 19.002 18.881 0.121 25104 14684 1 17 . 1 1 26 26 ALA H H 26 8.480 8.480 7.719 0.761 25104 14685 1 17 . 1 1 27 27 ASP N N 27 114.191 114.191 116.519 -2.328 25104 14686 1 17 . 1 1 27 27 ASP HA H 27 4.197 4.197 4.457 -0.260 25104 14687 1 17 . 1 1 27 27 ASP C C 27 177.976 177.976 177.161 0.815 25104 14688 1 17 . 1 1 27 27 ASP CA C 27 55.410 55.410 56.063 -0.653 25104 14689 1 17 . 1 1 27 27 ASP CB C 27 38.821 38.821 40.225 -1.404 25104 14690 1 17 . 1 1 27 27 ASP H H 27 9.145 9.145 8.576 0.569 25104 14691 1 17 . 1 1 28 28 LYS N N 28 118.107 118.107 118.424 -0.317 25104 14692 1 17 . 1 1 28 28 LYS HA H 28 4.599 4.599 4.448 0.151 25104 14693 1 17 . 1 1 28 28 LYS C C 28 177.840 177.840 177.305 0.535 25104 14694 1 17 . 1 1 28 28 LYS CA C 28 56.262 56.262 57.548 -1.286 25104 14695 1 17 . 1 1 28 28 LYS CB C 28 36.006 36.006 34.816 1.190 25104 14696 1 17 . 1 1 28 28 LYS H H 28 7.569 7.569 7.676 -0.107 25104 14697 1 17 . 1 1 29 29 VAL N N 29 114.551 114.551 114.587 -0.036 25104 14698 1 17 . 1 1 29 29 VAL HA H 29 4.487 4.487 4.718 -0.231 25104 14699 1 17 . 1 1 29 29 VAL CA C 29 58.309 58.309 58.454 -0.145 25104 14700 1 17 . 1 1 29 29 VAL CB C 29 32.078 32.078 30.971 1.107 25104 14701 1 17 . 1 1 29 29 VAL H H 29 8.364 8.364 8.036 0.328 25104 14702 1 17 . 1 1 30 30 PRO HA H 30 4.450 4.450 4.320 0.130 25104 14703 1 17 . 1 1 30 30 PRO C C 30 181.892 181.892 178.463 3.429 25104 14704 1 17 . 1 1 30 30 PRO CA C 30 66.227 66.227 66.382 -0.155 25104 14705 1 17 . 1 1 30 30 PRO CB C 30 31.547 31.547 31.965 -0.418 25104 14706 1 17 . 1 1 31 31 LYS N N 31 123.785 123.785 117.485 6.300 25104 14707 1 17 . 1 1 31 31 LYS HA H 31 4.105 4.105 4.043 0.062 25104 14708 1 17 . 1 1 31 31 LYS C C 31 182.749 182.749 178.894 3.855 25104 14709 1 17 . 1 1 31 31 LYS CA C 31 61.057 61.057 59.440 1.617 25104 14710 1 17 . 1 1 31 31 LYS CB C 31 32.468 32.468 32.201 0.267 25104 14711 1 17 . 1 1 31 31 LYS H H 31 10.684 10.684 8.075 2.609 25104 14712 1 17 . 1 1 32 32 THR N N 32 124.002 124.002 114.906 9.096 25104 14713 1 17 . 1 1 32 32 THR HA H 32 4.034 4.034 4.013 0.021 25104 14714 1 17 . 1 1 32 32 THR C C 32 178.673 178.673 176.117 2.556 25104 14715 1 17 . 1 1 32 32 THR CA C 32 67.526 67.526 66.128 1.398 25104 14716 1 17 . 1 1 32 32 THR CB C 32 68.705 68.705 68.863 -0.158 25104 14717 1 17 . 1 1 32 32 THR H H 32 10.320 10.320 8.096 2.224 25104 14718 1 17 . 1 1 33 33 ALA N N 33 125.616 125.616 123.354 2.262 25104 14719 1 17 . 1 1 33 33 ALA HA H 33 4.092 4.092 4.345 -0.253 25104 14720 1 17 . 1 1 33 33 ALA C C 33 179.174 179.174 178.822 0.352 25104 14721 1 17 . 1 1 33 33 ALA CA C 33 55.972 55.972 54.844 1.128 25104 14722 1 17 . 1 1 33 33 ALA CB C 33 18.414 18.414 18.338 0.076 25104 14723 1 17 . 1 1 33 33 ALA H H 33 9.311 9.311 7.848 1.463 25104 14724 1 17 . 1 1 34 34 GLU N N 34 117.376 117.376 119.428 -2.052 25104 14725 1 17 . 1 1 34 34 GLU HA H 34 4.556 4.556 3.941 0.615 25104 14726 1 17 . 1 1 34 34 GLU C C 34 178.418 178.418 178.531 -0.113 25104 14727 1 17 . 1 1 34 34 GLU CA C 34 58.238 58.238 59.424 -1.186 25104 14728 1 17 . 1 1 34 34 GLU CB C 34 28.181 28.181 29.667 -1.486 25104 14729 1 17 . 1 1 34 34 GLU H H 34 8.069 8.069 8.012 0.057 25104 14730 1 17 . 1 1 35 35 ASN N N 35 115.722 115.722 118.579 -2.857 25104 14731 1 17 . 1 1 35 35 ASN HA H 35 4.108 4.108 4.258 -0.150 25104 14732 1 17 . 1 1 35 35 ASN C C 35 175.568 175.568 177.108 -1.540 25104 14733 1 17 . 1 1 35 35 ASN CA C 35 56.768 56.768 56.097 0.671 25104 14734 1 17 . 1 1 35 35 ASN CB C 35 39.644 39.644 38.166 1.478 25104 14735 1 17 . 1 1 35 35 ASN H H 35 7.193 7.193 7.858 -0.665 25104 14736 1 17 . 1 1 36 36 PHE N N 36 117.929 117.929 120.226 -2.297 25104 14737 1 17 . 1 1 36 36 PHE HA H 36 4.158 4.158 4.069 0.089 25104 14738 1 17 . 1 1 36 36 PHE C C 36 179.707 179.707 177.539 2.168 25104 14739 1 17 . 1 1 36 36 PHE CA C 36 61.589 61.589 60.976 0.613 25104 14740 1 17 . 1 1 36 36 PHE CB C 36 39.948 39.948 39.084 0.864 25104 14741 1 17 . 1 1 36 36 PHE H H 36 7.065 7.065 7.335 -0.270 25104 14742 1 17 . 1 1 37 37 ARG N N 37 121.048 121.048 120.466 0.582 25104 14743 1 17 . 1 1 37 37 ARG HA H 37 3.685 3.685 3.825 -0.140 25104 14744 1 17 . 1 1 37 37 ARG C C 37 179.000 179.000 177.909 1.091 25104 14745 1 17 . 1 1 37 37 ARG CA C 37 60.515 60.515 59.899 0.616 25104 14746 1 17 . 1 1 37 37 ARG CB C 37 29.880 29.880 30.160 -0.281 25104 14747 1 17 . 1 1 37 37 ARG H H 37 8.975 8.975 8.116 0.859 25104 14748 1 17 . 1 1 38 38 ALA N N 38 119.232 119.232 121.089 -1.857 25104 14749 1 17 . 1 1 38 38 ALA HA H 38 4.126 4.126 4.564 -0.438 25104 14750 1 17 . 1 1 38 38 ALA C C 38 183.365 183.365 179.650 3.715 25104 14751 1 17 . 1 1 38 38 ALA CA C 38 54.477 54.477 53.981 0.496 25104 14752 1 17 . 1 1 38 38 ALA CB C 38 18.405 18.405 18.689 -0.284 25104 14753 1 17 . 1 1 38 38 ALA H H 38 8.741 8.741 7.922 0.819 25104 14754 1 17 . 1 1 39 39 LEU N N 39 120.723 120.723 118.926 1.797 25104 14755 1 17 . 1 1 39 39 LEU HA H 39 3.800 3.800 4.256 -0.456 25104 14756 1 17 . 1 1 39 39 LEU C C 39 180.481 180.481 178.689 1.792 25104 14757 1 17 . 1 1 39 39 LEU CA C 39 57.268 57.268 57.627 -0.359 25104 14758 1 17 . 1 1 39 39 LEU CB C 39 41.218 41.218 41.562 -0.344 25104 14759 1 17 . 1 1 39 39 LEU H H 39 8.212 8.212 7.994 0.218 25104 14760 1 17 . 1 1 40 40 SER N N 40 119.210 119.210 114.790 4.420 25104 14761 1 17 . 1 1 40 40 SER HA H 40 4.341 4.341 4.301 0.040 25104 14762 1 17 . 1 1 40 40 SER C C 40 175.380 175.380 176.414 -1.034 25104 14763 1 17 . 1 1 40 40 SER CA C 40 62.924 62.924 61.460 1.464 25104 14764 1 17 . 1 1 40 40 SER CB C 40 62.992 62.992 62.984 0.008 25104 14765 1 17 . 1 1 40 40 SER H H 40 7.938 7.938 7.959 -0.021 25104 14766 1 17 . 1 1 41 41 THR N N 41 108.556 108.556 111.520 -2.964 25104 14767 1 17 . 1 1 41 41 THR HA H 41 4.508 4.508 4.228 0.280 25104 14768 1 17 . 1 1 41 41 THR C C 41 179.088 179.088 176.189 2.899 25104 14769 1 17 . 1 1 41 41 THR CA C 41 62.492 62.492 63.586 -1.094 25104 14770 1 17 . 1 1 41 41 THR CB C 41 69.663 69.663 69.206 0.457 25104 14771 1 17 . 1 1 41 41 THR H H 41 8.017 8.017 7.903 0.114 25104 14772 1 17 . 1 1 42 42 GLY N N 42 108.433 108.433 110.205 -1.772 25104 14773 1 17 . 1 1 42 42 GLY C C 42 178.676 178.676 175.863 2.813 25104 14774 1 17 . 1 1 42 42 GLY CA C 42 45.840 45.840 45.851 -0.011 25104 14775 1 17 . 1 1 42 42 GLY H H 42 7.621 7.621 7.790 -0.169 25104 14776 1 17 . 1 1 43 43 GLU N N 43 118.777 118.777 119.787 -1.010 25104 14777 1 17 . 1 1 43 43 GLU HA H 43 4.171 4.171 4.097 0.074 25104 14778 1 17 . 1 1 43 43 GLU C C 43 177.458 177.458 177.329 0.129 25104 14779 1 17 . 1 1 43 43 GLU CA C 43 58.580 58.580 57.662 0.918 25104 14780 1 17 . 1 1 43 43 GLU H H 43 8.049 8.049 8.047 0.002 25104 14781 1 17 . 1 1 44 44 LYS N N 44 118.526 118.526 116.666 1.860 25104 14782 1 17 . 1 1 44 44 LYS HA H 44 4.342 4.342 4.310 0.032 25104 14783 1 17 . 1 1 44 44 LYS C C 44 177.590 177.590 176.469 1.121 25104 14784 1 17 . 1 1 44 44 LYS CA C 44 54.405 54.405 54.795 -0.390 25104 14785 1 17 . 1 1 44 44 LYS CB C 44 30.488 30.488 32.158 -1.671 25104 14786 1 17 . 1 1 44 44 LYS H H 44 9.123 9.123 7.445 1.678 25104 14787 1 17 . 1 1 45 45 GLY N N 45 105.553 105.553 107.918 -2.365 25104 14788 1 17 . 1 1 45 45 GLY C C 45 173.518 173.518 173.772 -0.254 25104 14789 1 17 . 1 1 45 45 GLY CA C 45 44.612 44.612 45.566 -0.954 25104 14790 1 17 . 1 1 45 45 GLY H H 45 7.970 7.970 7.684 0.286 25104 14791 1 17 . 1 1 46 46 PHE N N 46 113.753 113.753 118.263 -4.510 25104 14792 1 17 . 1 1 46 46 PHE HA H 46 4.678 4.678 4.554 0.124 25104 14793 1 17 . 1 1 46 46 PHE C C 46 173.684 173.684 176.120 -2.436 25104 14794 1 17 . 1 1 46 46 PHE CA C 46 54.077 54.077 56.793 -2.716 25104 14795 1 17 . 1 1 46 46 PHE CB C 46 39.658 39.658 40.444 -0.786 25104 14796 1 17 . 1 1 46 46 PHE H H 46 6.469 6.469 7.167 -0.698 25104 14797 1 17 . 1 1 47 47 GLY N N 47 104.722 104.722 108.737 -4.015 25104 14798 1 17 . 1 1 47 47 GLY C C 47 172.446 172.446 175.055 -2.609 25104 14799 1 17 . 1 1 47 47 GLY CA C 47 45.601 45.601 45.608 -0.007 25104 14800 1 17 . 1 1 47 47 GLY H H 47 7.756 7.756 8.285 -0.529 25104 14801 1 17 . 1 1 48 48 TYR N N 48 113.796 113.796 120.813 -7.017 25104 14802 1 17 . 1 1 48 48 TYR HA H 48 4.270 4.270 4.196 0.074 25104 14803 1 17 . 1 1 48 48 TYR C C 48 178.924 178.924 175.443 3.481 25104 14804 1 17 . 1 1 48 48 TYR CA C 48 57.365 57.365 59.061 -1.696 25104 14805 1 17 . 1 1 48 48 TYR CB C 48 38.832 38.832 37.325 1.507 25104 14806 1 17 . 1 1 48 48 TYR H H 48 6.948 6.948 8.279 -1.331 25104 14807 1 17 . 1 1 49 49 LYS N N 49 124.858 124.858 125.369 -0.511 25104 14808 1 17 . 1 1 49 49 LYS HA H 49 3.655 3.655 4.471 -0.816 25104 14809 1 17 . 1 1 49 49 LYS C C 49 178.388 178.388 176.913 1.475 25104 14810 1 17 . 1 1 49 49 LYS CA C 49 61.018 61.018 55.438 5.580 25104 14811 1 17 . 1 1 49 49 LYS CB C 49 31.484 31.484 32.525 -1.041 25104 14812 1 17 . 1 1 49 49 LYS H H 49 8.493 8.493 8.091 0.402 25104 14813 1 17 . 1 1 50 50 GLY N N 50 117.833 117.833 114.934 2.899 25104 14814 1 17 . 1 1 50 50 GLY C C 50 175.259 175.259 174.032 1.227 25104 14815 1 17 . 1 1 50 50 GLY CA C 50 45.495 45.495 45.105 0.390 25104 14816 1 17 . 1 1 50 50 GLY H H 50 9.509 9.509 8.375 1.134 25104 14817 1 17 . 1 1 51 51 SER N N 51 116.413 116.413 116.040 0.373 25104 14818 1 17 . 1 1 51 51 SER HA H 51 4.516 4.516 4.434 0.082 25104 14819 1 17 . 1 1 51 51 SER C C 51 172.808 172.808 174.996 -2.188 25104 14820 1 17 . 1 1 51 51 SER CA C 51 59.043 59.043 58.627 0.416 25104 14821 1 17 . 1 1 51 51 SER CB C 51 63.781 63.781 62.931 0.850 25104 14822 1 17 . 1 1 51 51 SER H H 51 8.436 8.436 7.884 0.552 25104 14823 1 17 . 1 1 52 52 CYS N N 52 115.156 115.156 122.651 -7.495 25104 14824 1 17 . 1 1 52 52 CYS HA H 52 5.932 5.932 5.275 0.657 25104 14825 1 17 . 1 1 52 52 CYS C C 52 177.437 177.437 174.794 2.643 25104 14826 1 17 . 1 1 52 52 CYS CA C 52 55.998 55.998 56.594 -0.596 25104 14827 1 17 . 1 1 52 52 CYS CB C 52 31.953 31.953 29.214 2.739 25104 14828 1 17 . 1 1 52 52 CYS H H 52 9.875 9.875 8.502 1.373 25104 14829 1 17 . 1 1 53 53 PHE N N 53 123.068 123.068 124.329 -1.261 25104 14830 1 17 . 1 1 53 53 PHE HA H 53 4.899 4.899 4.249 0.650 25104 14831 1 17 . 1 1 53 53 PHE C C 53 175.886 175.886 175.711 0.175 25104 14832 1 17 . 1 1 53 53 PHE CA C 53 58.389 58.389 59.452 -1.063 25104 14833 1 17 . 1 1 53 53 PHE CB C 53 39.535 39.535 39.124 0.411 25104 14834 1 17 . 1 1 53 53 PHE H H 53 8.732 8.732 8.983 -0.251 25104 14835 1 17 . 1 1 54 54 HIS N N 54 120.227 120.227 115.833 4.394 25104 14836 1 17 . 1 1 54 54 HIS HA H 54 4.763 4.763 4.830 -0.067 25104 14837 1 17 . 1 1 54 54 HIS C C 54 176.409 176.409 174.075 2.334 25104 14838 1 17 . 1 1 54 54 HIS CA C 54 57.323 57.323 55.520 1.803 25104 14839 1 17 . 1 1 54 54 HIS CB C 54 31.542 31.542 31.834 -0.292 25104 14840 1 17 . 1 1 54 54 HIS H H 54 7.696 7.696 8.135 -0.439 25104 14841 1 17 . 1 1 55 55 ARG N N 55 123.202 123.202 120.993 2.209 25104 14842 1 17 . 1 1 55 55 ARG HA H 55 5.118 5.118 5.161 -0.043 25104 14843 1 17 . 1 1 55 55 ARG C C 55 174.511 174.511 173.430 1.081 25104 14844 1 17 . 1 1 55 55 ARG CA C 55 54.913 54.913 56.139 -1.226 25104 14845 1 17 . 1 1 55 55 ARG CB C 55 33.805 33.805 32.666 1.139 25104 14846 1 17 . 1 1 55 55 ARG H H 55 7.089 7.089 7.729 -0.640 25104 14847 1 17 . 1 1 56 56 ILE N N 56 126.621 126.621 126.050 0.571 25104 14848 1 17 . 1 1 56 56 ILE HA H 56 4.659 4.659 4.806 -0.147 25104 14849 1 17 . 1 1 56 56 ILE C C 56 174.633 174.633 173.973 0.660 25104 14850 1 17 . 1 1 56 56 ILE CA C 56 61.585 61.585 60.458 1.127 25104 14851 1 17 . 1 1 56 56 ILE CB C 56 41.452 41.452 42.297 -0.845 25104 14852 1 17 . 1 1 56 56 ILE H H 56 9.201 9.201 8.498 0.703 25104 14853 1 17 . 1 1 57 57 ILE N N 57 127.965 127.965 124.090 3.875 25104 14854 1 17 . 1 1 57 57 ILE HA H 57 5.248 5.248 5.234 0.014 25104 14855 1 17 . 1 1 57 57 ILE CA C 57 57.685 57.685 57.640 0.045 25104 14856 1 17 . 1 1 57 57 ILE CB C 57 40.236 40.236 42.096 -1.860 25104 14857 1 17 . 1 1 57 57 ILE H H 57 8.753 8.753 9.240 -0.487 25104 14858 1 17 . 1 1 58 58 PRO HA H 58 4.382 4.382 4.549 -0.167 25104 14859 1 17 . 1 1 58 58 PRO C C 58 178.669 178.669 177.982 0.687 25104 14860 1 17 . 1 1 58 58 PRO CA C 58 63.086 63.086 63.437 -0.351 25104 14861 1 17 . 1 1 58 58 PRO CB C 58 31.996 31.996 32.052 -0.056 25104 14862 1 17 . 1 1 59 59 GLY N N 59 114.176 114.176 111.146 3.030 25104 14863 1 17 . 1 1 59 59 GLY C C 59 173.281 173.281 173.507 -0.226 25104 14864 1 17 . 1 1 59 59 GLY CA C 59 45.259 45.259 46.147 -0.888 25104 14865 1 17 . 1 1 59 59 GLY H H 59 9.752 9.752 9.336 0.416 25104 14866 1 17 . 1 1 60 60 PHE N N 60 119.241 119.241 118.201 1.040 25104 14867 1 17 . 1 1 60 60 PHE HA H 60 5.153 5.153 4.941 0.212 25104 14868 1 17 . 1 1 60 60 PHE C C 60 174.401 174.401 173.173 1.228 25104 14869 1 17 . 1 1 60 60 PHE CA C 60 56.867 56.867 57.584 -0.717 25104 14870 1 17 . 1 1 60 60 PHE CB C 60 39.954 39.954 42.156 -2.202 25104 14871 1 17 . 1 1 60 60 PHE H H 60 8.196 8.196 7.515 0.681 25104 14872 1 17 . 1 1 61 61 MET N N 61 111.262 111.262 116.510 -5.248 25104 14873 1 17 . 1 1 61 61 MET HA H 61 5.369 5.369 5.077 0.292 25104 14874 1 17 . 1 1 61 61 MET C C 61 175.163 175.163 173.112 2.051 25104 14875 1 17 . 1 1 61 61 MET CA C 61 55.062 55.062 55.186 -0.124 25104 14876 1 17 . 1 1 61 61 MET CB C 61 35.010 35.010 36.466 -1.456 25104 14877 1 17 . 1 1 61 61 MET H H 61 8.128 8.128 8.287 -0.159 25104 14878 1 17 . 1 1 62 62 CYS N N 62 114.848 114.848 122.052 -7.204 25104 14879 1 17 . 1 1 62 62 CYS HA H 62 4.941 4.941 5.100 -0.159 25104 14880 1 17 . 1 1 62 62 CYS C C 62 174.075 174.075 173.107 0.968 25104 14881 1 17 . 1 1 62 62 CYS CA C 62 57.485 57.485 56.472 1.013 25104 14882 1 17 . 1 1 62 62 CYS CB C 62 30.392 30.392 29.701 0.691 25104 14883 1 17 . 1 1 62 62 CYS H H 62 8.501 8.501 8.933 -0.432 25104 14884 1 17 . 1 1 63 63 GLN N N 63 126.854 126.854 126.589 0.265 25104 14885 1 17 . 1 1 63 63 GLN HA H 63 5.410 5.410 5.104 0.306 25104 14886 1 17 . 1 1 63 63 GLN C C 63 175.024 175.024 174.151 0.873 25104 14887 1 17 . 1 1 63 63 GLN CA C 63 54.691 54.691 54.307 0.384 25104 14888 1 17 . 1 1 63 63 GLN CB C 63 30.529 30.529 32.813 -2.284 25104 14889 1 17 . 1 1 63 63 GLN H H 63 9.671 9.671 8.907 0.764 25104 14890 1 17 . 1 1 64 64 GLY N N 64 110.745 110.745 109.997 0.748 25104 14891 1 17 . 1 1 64 64 GLY C C 64 174.113 174.113 171.366 2.747 25104 14892 1 17 . 1 1 64 64 GLY CA C 64 44.788 44.788 43.857 0.931 25104 14893 1 17 . 1 1 64 64 GLY H H 64 7.401 7.401 8.130 -0.729 25104 14894 1 17 . 1 1 65 65 GLY N N 65 105.815 105.815 105.327 0.488 25104 14895 1 17 . 1 1 65 65 GLY C C 65 176.175 176.175 171.916 4.259 25104 14896 1 17 . 1 1 65 65 GLY CA C 65 46.659 46.659 45.736 0.923 25104 14897 1 17 . 1 1 65 65 GLY H H 65 9.265 9.265 7.833 1.432 25104 14898 1 17 . 1 1 66 66 ASP N N 66 123.911 123.911 120.304 3.607 25104 14899 1 17 . 1 1 66 66 ASP HA H 66 4.337 4.337 4.944 -0.607 25104 14900 1 17 . 1 1 66 66 ASP C C 66 177.105 177.105 177.133 -0.028 25104 14901 1 17 . 1 1 66 66 ASP CA C 66 51.592 51.592 53.432 -1.840 25104 14902 1 17 . 1 1 66 66 ASP CB C 66 38.926 38.926 43.059 -4.133 25104 14903 1 17 . 1 1 66 66 ASP H H 66 9.950 9.950 8.035 1.915 25104 14904 1 17 . 1 1 67 67 PHE N N 67 116.285 116.285 122.352 -6.067 25104 14905 1 17 . 1 1 67 67 PHE HA H 67 4.655 4.655 4.302 0.353 25104 14906 1 17 . 1 1 67 67 PHE C C 67 175.240 175.240 176.125 -0.885 25104 14907 1 17 . 1 1 67 67 PHE CA C 67 55.683 55.683 60.081 -4.398 25104 14908 1 17 . 1 1 67 67 PHE CB C 67 39.480 39.480 40.042 -0.562 25104 14909 1 17 . 1 1 67 67 PHE H H 67 6.660 6.660 8.575 -1.915 25104 14910 1 17 . 1 1 68 68 THR N N 68 109.280 109.280 116.340 -7.060 25104 14911 1 17 . 1 1 68 68 THR HA H 68 4.692 4.692 4.328 0.364 25104 14912 1 17 . 1 1 68 68 THR C C 68 176.514 176.514 174.671 1.843 25104 14913 1 17 . 1 1 68 68 THR CA C 68 61.962 61.962 63.933 -1.971 25104 14914 1 17 . 1 1 68 68 THR CB C 68 68.922 68.922 69.373 -0.451 25104 14915 1 17 . 1 1 68 68 THR H H 68 7.400 7.400 7.952 -0.552 25104 14916 1 17 . 1 1 69 69 ARG N N 69 122.125 122.125 119.062 3.063 25104 14917 1 17 . 1 1 69 69 ARG HA H 69 4.421 4.421 3.910 0.511 25104 14918 1 17 . 1 1 69 69 ARG CA C 69 55.265 55.265 58.250 -2.985 25104 14919 1 17 . 1 1 69 69 ARG CB C 69 31.727 31.727 28.099 3.628 25104 14920 1 17 . 1 1 69 69 ARG H H 69 8.719 8.719 8.907 -0.188 25104 14921 1 17 . 1 1 70 70 HIS N N 70 111.574 111.574 119.533 -7.959 25104 14922 1 17 . 1 1 70 70 HIS HA H 70 4.451 4.451 4.120 0.331 25104 14923 1 17 . 1 1 70 70 HIS C C 70 175.306 175.306 174.729 0.577 25104 14924 1 17 . 1 1 70 70 HIS CA C 70 57.193 57.193 58.429 -1.236 25104 14925 1 17 . 1 1 70 70 HIS CB C 70 28.587 28.587 29.627 -1.040 25104 14926 1 17 . 1 1 70 70 HIS H H 70 6.865 6.865 7.844 -0.979 25104 14927 1 17 . 1 1 71 71 ASN N N 71 112.710 112.710 117.497 -4.787 25104 14928 1 17 . 1 1 71 71 ASN HA H 71 4.673 4.673 4.417 0.256 25104 14929 1 17 . 1 1 71 71 ASN C C 71 176.752 176.752 175.625 1.127 25104 14930 1 17 . 1 1 71 71 ASN CA C 71 52.366 52.366 53.682 -1.316 25104 14931 1 17 . 1 1 71 71 ASN CB C 71 39.036 39.036 36.704 2.332 25104 14932 1 17 . 1 1 71 71 ASN H H 71 7.594 7.594 8.096 -0.502 25104 14933 1 17 . 1 1 72 72 GLY N N 72 110.452 110.452 111.227 -0.775 25104 14934 1 17 . 1 1 72 72 GLY C C 72 176.669 176.669 174.206 2.463 25104 14935 1 17 . 1 1 72 72 GLY CA C 72 44.887 44.887 45.700 -0.812 25104 14936 1 17 . 1 1 72 72 GLY H H 72 9.642 9.642 8.213 1.429 25104 14937 1 17 . 1 1 73 73 THR N N 73 112.024 112.024 115.536 -3.512 25104 14938 1 17 . 1 1 73 73 THR HA H 73 4.541 4.541 4.459 0.082 25104 14939 1 17 . 1 1 73 73 THR C C 73 176.905 176.905 173.865 3.040 25104 14940 1 17 . 1 1 73 73 THR CA C 73 62.235 62.235 61.887 0.348 25104 14941 1 17 . 1 1 73 73 THR CB C 73 70.677 70.677 71.190 -0.513 25104 14942 1 17 . 1 1 73 73 THR H H 73 7.967 7.967 7.625 0.342 25104 14943 1 17 . 1 1 74 74 GLY N N 74 113.872 113.872 112.352 1.520 25104 14944 1 17 . 1 1 74 74 GLY C C 74 176.149 176.149 174.370 1.779 25104 14945 1 17 . 1 1 74 74 GLY CA C 74 45.126 45.126 45.685 -0.559 25104 14946 1 17 . 1 1 74 74 GLY H H 74 8.711 8.711 8.177 0.534 25104 14947 1 17 . 1 1 75 75 GLY N N 75 109.032 109.032 107.010 2.022 25104 14948 1 17 . 1 1 75 75 GLY C C 75 173.012 173.012 173.952 -0.940 25104 14949 1 17 . 1 1 75 75 GLY CA C 75 43.371 43.371 44.496 -1.125 25104 14950 1 17 . 1 1 75 75 GLY H H 75 8.117 8.117 8.212 -0.095 25104 14951 1 17 . 1 1 76 76 LYS N N 76 115.705 115.705 120.507 -4.802 25104 14952 1 17 . 1 1 76 76 LYS HA H 76 4.623 4.623 4.544 0.079 25104 14953 1 17 . 1 1 76 76 LYS C C 76 173.512 173.512 176.504 -2.992 25104 14954 1 17 . 1 1 76 76 LYS CA C 76 55.975 55.975 56.418 -0.443 25104 14955 1 17 . 1 1 76 76 LYS CB C 76 34.648 34.648 32.979 1.669 25104 14956 1 17 . 1 1 76 76 LYS H H 76 7.034 7.034 8.146 -1.112 25104 14957 1 17 . 1 1 77 77 SER N N 77 114.354 114.354 115.266 -0.912 25104 14958 1 17 . 1 1 77 77 SER HA H 77 5.240 5.240 4.755 0.485 25104 14959 1 17 . 1 1 77 77 SER C C 77 176.746 176.746 176.091 0.655 25104 14960 1 17 . 1 1 77 77 SER CA C 77 57.077 57.077 57.152 -0.075 25104 14961 1 17 . 1 1 77 77 SER CB C 77 69.863 69.863 65.941 3.922 25104 14962 1 17 . 1 1 77 77 SER H H 77 7.793 7.793 8.087 -0.294 25104 14963 1 17 . 1 1 78 78 ILE N N 78 111.394 111.394 114.626 -3.232 25104 14964 1 17 . 1 1 78 78 ILE HA H 78 4.208 4.208 4.394 -0.186 25104 14965 1 17 . 1 1 78 78 ILE C C 78 176.973 176.973 175.136 1.837 25104 14966 1 17 . 1 1 78 78 ILE CA C 78 63.675 63.675 62.627 1.048 25104 14967 1 17 . 1 1 78 78 ILE CB C 78 37.434 37.434 38.055 -0.621 25104 14968 1 17 . 1 1 78 78 ILE H H 78 8.584 8.584 8.632 -0.048 25104 14969 1 17 . 1 1 79 79 TYR N N 79 120.757 120.757 117.714 3.043 25104 14970 1 17 . 1 1 79 79 TYR HA H 79 4.718 4.718 4.589 0.129 25104 14971 1 17 . 1 1 79 79 TYR C C 79 176.316 176.316 175.788 0.528 25104 14972 1 17 . 1 1 79 79 TYR CA C 79 56.216 56.216 57.097 -0.881 25104 14973 1 17 . 1 1 79 79 TYR CB C 79 38.891 38.891 38.062 0.829 25104 14974 1 17 . 1 1 79 79 TYR H H 79 8.058 8.058 7.844 0.214 25104 14975 1 17 . 1 1 80 80 GLY N N 80 106.521 106.521 107.579 -1.058 25104 14976 1 17 . 1 1 80 80 GLY CA C 80 46.021 46.021 44.933 1.088 25104 14977 1 17 . 1 1 80 80 GLY H H 80 7.152 7.152 7.282 -0.130 25104 14978 1 17 . 1 1 81 81 GLU N N 81 122.638 122.638 123.332 -0.694 25104 14979 1 17 . 1 1 81 81 GLU HA H 81 4.008 4.008 4.185 -0.177 25104 14980 1 17 . 1 1 81 81 GLU C C 81 176.729 176.729 175.427 1.302 25104 14981 1 17 . 1 1 81 81 GLU CA C 81 60.602 60.602 58.528 2.074 25104 14982 1 17 . 1 1 81 81 GLU CB C 81 29.927 29.927 30.119 -0.192 25104 14983 1 17 . 1 1 81 81 GLU H H 81 8.884 8.884 8.664 0.220 25104 14984 1 17 . 1 1 82 82 LYS N N 82 112.369 112.369 113.658 -1.289 25104 14985 1 17 . 1 1 82 82 LYS HA H 82 5.577 5.577 4.482 1.095 25104 14986 1 17 . 1 1 82 82 LYS C C 82 176.495 176.495 174.926 1.569 25104 14987 1 17 . 1 1 82 82 LYS CA C 82 53.906 53.906 55.310 -1.404 25104 14988 1 17 . 1 1 82 82 LYS CB C 82 36.614 36.614 35.625 0.989 25104 14989 1 17 . 1 1 82 82 LYS H H 82 7.845 7.845 7.633 0.212 25104 14990 1 17 . 1 1 83 83 PHE N N 83 116.638 116.638 115.767 0.871 25104 14991 1 17 . 1 1 83 83 PHE HA H 83 5.000 5.000 5.138 -0.138 25104 14992 1 17 . 1 1 83 83 PHE C C 83 174.501 174.501 173.455 1.046 25104 14993 1 17 . 1 1 83 83 PHE CA C 83 56.032 56.032 56.066 -0.034 25104 14994 1 17 . 1 1 83 83 PHE CB C 83 41.258 41.258 41.735 -0.477 25104 14995 1 17 . 1 1 83 83 PHE H H 83 9.184 9.184 8.756 0.428 25104 14996 1 17 . 1 1 84 84 GLU N N 84 119.642 119.642 118.006 1.636 25104 14997 1 17 . 1 1 84 84 GLU HA H 84 3.862 3.862 4.396 -0.534 25104 14998 1 17 . 1 1 84 84 GLU C C 84 177.248 177.248 175.245 2.003 25104 14999 1 17 . 1 1 84 84 GLU CA C 84 56.452 56.452 54.498 1.954 25104 15000 1 17 . 1 1 84 84 GLU CB C 84 29.329 29.329 31.329 -2.000 25104 15001 1 17 . 1 1 84 84 GLU H H 84 9.294 9.294 8.482 0.812 25104 15002 1 17 . 1 1 85 85 ASP N N 85 118.870 118.870 120.984 -2.114 25104 15003 1 17 . 1 1 85 85 ASP HA H 85 4.285 4.285 4.620 -0.335 25104 15004 1 17 . 1 1 85 85 ASP C C 85 177.100 177.100 176.879 0.221 25104 15005 1 17 . 1 1 85 85 ASP CA C 85 54.486 54.486 54.974 -0.488 25104 15006 1 17 . 1 1 85 85 ASP CB C 85 40.954 40.954 41.010 -0.056 25104 15007 1 17 . 1 1 85 85 ASP H H 85 8.609 8.609 8.402 0.207 25104 15008 1 17 . 1 1 86 86 GLU N N 86 131.636 131.636 125.424 6.212 25104 15009 1 17 . 1 1 86 86 GLU HA H 86 3.851 3.851 3.979 -0.128 25104 15010 1 17 . 1 1 86 86 GLU C C 86 177.266 177.266 175.897 1.369 25104 15011 1 17 . 1 1 86 86 GLU CA C 86 60.354 60.354 58.935 1.419 25104 15012 1 17 . 1 1 86 86 GLU CB C 86 31.877 31.877 30.247 1.630 25104 15013 1 17 . 1 1 86 86 GLU H H 86 9.474 9.474 8.831 0.643 25104 15014 1 17 . 1 1 87 87 ASN N N 87 106.916 106.916 112.167 -5.251 25104 15015 1 17 . 1 1 87 87 ASN HA H 87 4.187 4.187 4.481 -0.294 25104 15016 1 17 . 1 1 87 87 ASN C C 87 171.751 171.751 172.974 -1.223 25104 15017 1 17 . 1 1 87 87 ASN CA C 87 52.828 52.828 52.464 0.364 25104 15018 1 17 . 1 1 87 87 ASN CB C 87 39.490 39.490 39.105 0.385 25104 15019 1 17 . 1 1 87 87 ASN H H 87 7.084 7.084 7.649 -0.565 25104 15020 1 17 . 1 1 88 88 PHE N N 88 113.116 113.116 115.099 -1.983 25104 15021 1 17 . 1 1 88 88 PHE HA H 88 5.964 5.964 4.878 1.086 25104 15022 1 17 . 1 1 88 88 PHE C C 88 178.688 178.688 175.339 3.349 25104 15023 1 17 . 1 1 88 88 PHE CA C 88 55.847 55.847 57.018 -1.171 25104 15024 1 17 . 1 1 88 88 PHE CB C 88 38.876 38.876 39.268 -0.392 25104 15025 1 17 . 1 1 88 88 PHE H H 88 8.356 8.356 8.384 -0.028 25104 15026 1 17 . 1 1 89 89 ILE N N 89 119.794 119.794 120.259 -0.465 25104 15027 1 17 . 1 1 89 89 ILE HA H 89 3.726 3.726 3.931 -0.205 25104 15028 1 17 . 1 1 89 89 ILE C C 89 178.596 178.596 176.184 2.412 25104 15029 1 17 . 1 1 89 89 ILE CA C 89 64.996 64.996 64.548 0.448 25104 15030 1 17 . 1 1 89 89 ILE CB C 89 39.000 39.000 38.321 0.679 25104 15031 1 17 . 1 1 89 89 ILE H H 89 8.314 8.314 7.928 0.386 25104 15032 1 17 . 1 1 90 90 LEU N N 90 117.361 117.361 119.757 -2.396 25104 15033 1 17 . 1 1 90 90 LEU HA H 90 4.516 4.516 4.352 0.164 25104 15034 1 17 . 1 1 90 90 LEU C C 90 177.345 177.345 175.729 1.616 25104 15035 1 17 . 1 1 90 90 LEU CA C 90 54.196 54.196 54.420 -0.224 25104 15036 1 17 . 1 1 90 90 LEU CB C 90 42.100 42.100 41.984 0.116 25104 15037 1 17 . 1 1 90 90 LEU H H 90 7.777 7.777 8.169 -0.392 25104 15038 1 17 . 1 1 91 91 LYS N N 91 119.096 119.096 122.200 -3.104 25104 15039 1 17 . 1 1 91 91 LYS HA H 91 4.635 4.635 4.640 -0.005 25104 15040 1 17 . 1 1 91 91 LYS C C 91 177.296 177.296 176.403 0.893 25104 15041 1 17 . 1 1 91 91 LYS CA C 91 54.689 54.689 55.211 -0.522 25104 15042 1 17 . 1 1 91 91 LYS CB C 91 34.841 34.841 35.720 -0.879 25104 15043 1 17 . 1 1 91 91 LYS H H 91 8.086 8.086 8.544 -0.458 25104 15044 1 17 . 1 1 92 92 HIS N N 92 122.578 122.578 120.548 2.030 25104 15045 1 17 . 1 1 92 92 HIS HA H 92 4.408 4.408 4.626 -0.218 25104 15046 1 17 . 1 1 92 92 HIS C C 92 178.794 178.794 174.768 4.026 25104 15047 1 17 . 1 1 92 92 HIS CA C 92 56.886 56.886 56.170 0.716 25104 15048 1 17 . 1 1 92 92 HIS CB C 92 26.041 26.041 28.058 -2.017 25104 15049 1 17 . 1 1 92 92 HIS H H 92 10.736 10.736 8.997 1.739 25104 15050 1 17 . 1 1 93 93 THR N N 93 110.479 110.479 113.902 -3.423 25104 15051 1 17 . 1 1 93 93 THR HA H 93 4.056 4.056 4.385 -0.329 25104 15052 1 17 . 1 1 93 93 THR C C 93 176.456 176.456 173.720 2.736 25104 15053 1 17 . 1 1 93 93 THR CA C 93 63.324 63.324 61.693 1.631 25104 15054 1 17 . 1 1 93 93 THR CB C 93 69.416 69.416 69.157 0.259 25104 15055 1 17 . 1 1 93 93 THR H H 93 7.315 7.315 7.511 -0.196 25104 15056 1 17 . 1 1 94 94 GLY N N 94 107.272 107.272 108.210 -0.938 25104 15057 1 17 . 1 1 94 94 GLY C C 94 178.117 178.117 171.814 6.303 25104 15058 1 17 . 1 1 94 94 GLY H H 94 7.530 7.530 7.378 0.152 25104 15059 1 17 . 1 1 95 95 PRO HA H 95 3.856 3.856 4.551 -0.695 25104 15060 1 17 . 1 1 95 95 PRO CA C 95 62.687 62.687 62.597 0.090 25104 15061 1 17 . 1 1 95 95 PRO CB C 95 32.137 32.137 32.908 -0.771 25104 15062 1 17 . 1 1 96 96 GLY N N 96 110.210 110.210 108.330 1.880 25104 15063 1 17 . 1 1 96 96 GLY C C 96 174.025 174.025 174.930 -0.905 25104 15064 1 17 . 1 1 96 96 GLY CA C 96 45.068 45.068 45.203 -0.135 25104 15065 1 17 . 1 1 96 96 GLY H H 96 9.305 9.305 8.421 0.884 25104 15066 1 17 . 1 1 97 97 ILE N N 97 121.517 121.517 122.170 -0.653 25104 15067 1 17 . 1 1 97 97 ILE HA H 97 4.173 4.173 3.925 0.248 25104 15068 1 17 . 1 1 97 97 ILE C C 97 174.196 174.196 174.674 -0.478 25104 15069 1 17 . 1 1 97 97 ILE CA C 97 59.398 59.398 60.908 -1.510 25104 15070 1 17 . 1 1 97 97 ILE CB C 97 37.922 37.922 35.791 2.131 25104 15071 1 17 . 1 1 97 97 ILE H H 97 6.826 6.826 7.781 -0.955 25104 15072 1 17 . 1 1 98 98 LEU N N 98 128.948 128.948 131.034 -2.086 25104 15073 1 17 . 1 1 98 98 LEU HA H 98 5.010 5.010 4.806 0.204 25104 15074 1 17 . 1 1 98 98 LEU C C 98 175.316 175.316 174.524 0.792 25104 15075 1 17 . 1 1 98 98 LEU CA C 98 53.350 53.350 53.406 -0.056 25104 15076 1 17 . 1 1 98 98 LEU CB C 98 43.813 43.813 42.863 0.950 25104 15077 1 17 . 1 1 98 98 LEU H H 98 7.907 7.907 8.027 -0.120 25104 15078 1 17 . 1 1 99 99 SER N N 99 118.834 118.834 119.959 -1.125 25104 15079 1 17 . 1 1 99 99 SER HA H 99 5.346 5.346 4.641 0.705 25104 15080 1 17 . 1 1 99 99 SER C C 99 175.732 175.732 172.600 3.132 25104 15081 1 17 . 1 1 99 99 SER CA C 99 55.011 55.011 56.200 -1.189 25104 15082 1 17 . 1 1 99 99 SER CB C 99 65.370 65.370 65.021 0.349 25104 15083 1 17 . 1 1 99 99 SER H H 99 8.307 8.307 7.953 0.354 25104 15084 1 17 . 1 1 100 100 MET N N 100 123.079 123.079 124.346 -1.267 25104 15085 1 17 . 1 1 100 100 MET HA H 100 5.338 5.338 4.483 0.855 25104 15086 1 17 . 1 1 100 100 MET C C 100 178.920 178.920 175.241 3.679 25104 15087 1 17 . 1 1 100 100 MET CA C 100 53.853 53.853 55.966 -2.113 25104 15088 1 17 . 1 1 100 100 MET H H 100 8.563 8.563 8.868 -0.305 25104 15089 1 17 . 1 1 101 101 ALA N N 101 126.225 126.225 123.561 2.664 25104 15090 1 17 . 1 1 101 101 ALA HA H 101 4.362 4.362 4.981 -0.619 25104 15091 1 17 . 1 1 101 101 ALA C C 101 176.471 176.471 175.759 0.712 25104 15092 1 17 . 1 1 101 101 ALA CA C 101 51.743 51.743 52.106 -0.363 25104 15093 1 17 . 1 1 101 101 ALA CB C 101 19.619 19.619 21.042 -1.423 25104 15094 1 17 . 1 1 101 101 ALA H H 101 8.114 8.114 8.117 -0.003 25104 15095 1 17 . 1 1 102 102 ASN N N 102 113.398 113.398 116.177 -2.779 25104 15096 1 17 . 1 1 102 102 ASN HA H 102 4.647 4.647 5.015 -0.368 25104 15097 1 17 . 1 1 102 102 ASN C C 102 174.740 174.740 173.302 1.438 25104 15098 1 17 . 1 1 102 102 ASN CA C 102 54.102 54.102 52.467 1.635 25104 15099 1 17 . 1 1 102 102 ASN CB C 102 40.597 40.597 40.206 0.391 25104 15100 1 17 . 1 1 102 102 ASN H H 102 8.062 8.062 8.179 -0.117 25104 15101 1 17 . 1 1 103 103 ALA N N 103 123.487 123.487 121.547 1.940 25104 15102 1 17 . 1 1 103 103 ALA HA H 103 4.868 4.868 4.549 0.319 25104 15103 1 17 . 1 1 103 103 ALA C C 103 177.823 177.823 176.027 1.796 25104 15104 1 17 . 1 1 103 103 ALA CA C 103 50.380 50.380 52.514 -2.134 25104 15105 1 17 . 1 1 103 103 ALA CB C 103 19.295 19.295 19.679 -0.384 25104 15106 1 17 . 1 1 103 103 ALA H H 103 8.822 8.822 8.528 0.294 25104 15107 1 17 . 1 1 104 104 GLY N N 104 109.271 109.271 107.461 1.810 25104 15108 1 17 . 1 1 104 104 GLY CA C 104 43.559 43.559 45.108 -1.550 25104 15109 1 17 . 1 1 104 104 GLY H H 104 8.181 8.181 7.682 0.499 25104 15110 1 17 . 1 1 105 105 PRO HA H 105 4.385 4.385 4.625 -0.240 25104 15111 1 17 . 1 1 105 105 PRO C C 105 177.209 177.209 177.150 0.059 25104 15112 1 17 . 1 1 105 105 PRO CA C 105 63.976 63.976 62.640 1.336 25104 15113 1 17 . 1 1 105 105 PRO CB C 105 32.136 32.136 32.144 -0.008 25104 15114 1 17 . 1 1 106 106 ASN N N 106 119.146 119.146 118.755 0.391 25104 15115 1 17 . 1 1 106 106 ASN HA H 106 4.052 4.052 4.541 -0.489 25104 15116 1 17 . 1 1 106 106 ASN C C 106 175.857 175.857 174.522 1.335 25104 15117 1 17 . 1 1 106 106 ASN CA C 106 54.279 54.279 54.714 -0.435 25104 15118 1 17 . 1 1 106 106 ASN CB C 106 37.248 37.248 37.981 -0.733 25104 15119 1 17 . 1 1 106 106 ASN H H 106 8.912 8.912 9.084 -0.172 25104 15120 1 17 . 1 1 107 107 THR N N 107 110.101 110.101 110.830 -0.729 25104 15121 1 17 . 1 1 107 107 THR HA H 107 4.493 4.493 4.384 0.109 25104 15122 1 17 . 1 1 107 107 THR C C 107 174.713 174.713 173.603 1.110 25104 15123 1 17 . 1 1 107 107 THR CA C 107 60.294 60.294 62.218 -1.924 25104 15124 1 17 . 1 1 107 107 THR CB C 107 69.030 69.030 69.665 -0.635 25104 15125 1 17 . 1 1 107 107 THR H H 107 10.191 10.191 7.595 2.596 25104 15126 1 17 . 1 1 108 108 ASN N N 108 120.592 120.592 120.480 0.112 25104 15127 1 17 . 1 1 108 108 ASN HA H 108 4.210 4.210 4.780 -0.570 25104 15128 1 17 . 1 1 108 108 ASN C C 108 175.078 175.078 175.169 -0.091 25104 15129 1 17 . 1 1 108 108 ASN CA C 108 55.287 55.287 52.756 2.531 25104 15130 1 17 . 1 1 108 108 ASN CB C 108 39.036 39.036 39.092 -0.056 25104 15131 1 17 . 1 1 108 108 ASN H H 108 7.410 7.410 7.446 -0.036 25104 15132 1 17 . 1 1 109 109 GLY N N 109 110.835 110.835 112.153 -1.318 25104 15133 1 17 . 1 1 109 109 GLY C C 109 172.087 172.087 173.640 -1.553 25104 15134 1 17 . 1 1 109 109 GLY CA C 109 45.940 45.940 44.899 1.041 25104 15135 1 17 . 1 1 109 109 GLY H H 109 9.192 9.192 8.254 0.938 25104 15136 1 17 . 1 1 110 110 SER N N 110 117.149 117.149 117.346 -0.197 25104 15137 1 17 . 1 1 110 110 SER HA H 110 4.751 4.751 5.034 -0.283 25104 15138 1 17 . 1 1 110 110 SER C C 110 177.075 177.075 174.403 2.672 25104 15139 1 17 . 1 1 110 110 SER CA C 110 57.526 57.526 56.700 0.826 25104 15140 1 17 . 1 1 110 110 SER CB C 110 66.180 66.180 64.619 1.561 25104 15141 1 17 . 1 1 110 110 SER H H 110 8.793 8.793 7.554 1.239 25104 15142 1 17 . 1 1 111 111 GLN N N 111 124.594 124.594 121.074 3.520 25104 15143 1 17 . 1 1 111 111 GLN HA H 111 4.225 4.225 3.952 0.273 25104 15144 1 17 . 1 1 111 111 GLN C C 111 179.174 179.174 175.122 4.052 25104 15145 1 17 . 1 1 111 111 GLN CA C 111 58.144 58.144 57.679 0.465 25104 15146 1 17 . 1 1 111 111 GLN CB C 111 31.558 31.558 28.494 3.064 25104 15147 1 17 . 1 1 111 111 GLN H H 111 8.438 8.438 8.178 0.260 25104 15148 1 17 . 1 1 112 112 PHE N N 112 118.008 118.008 113.926 4.082 25104 15149 1 17 . 1 1 112 112 PHE HA H 112 5.806 5.806 5.118 0.688 25104 15150 1 17 . 1 1 112 112 PHE C C 112 172.840 172.840 173.165 -0.325 25104 15151 1 17 . 1 1 112 112 PHE CA C 112 55.584 55.584 55.938 -0.354 25104 15152 1 17 . 1 1 112 112 PHE CB C 112 43.323 43.323 42.609 0.714 25104 15153 1 17 . 1 1 112 112 PHE H H 112 8.120 8.120 8.368 -0.248 25104 15154 1 17 . 1 1 113 113 PHE N N 113 116.406 116.406 113.863 2.543 25104 15155 1 17 . 1 1 113 113 PHE HA H 113 5.739 5.739 5.330 0.409 25104 15156 1 17 . 1 1 113 113 PHE C C 113 175.349 175.349 173.136 2.213 25104 15157 1 17 . 1 1 113 113 PHE CA C 113 54.684 54.684 55.964 -1.280 25104 15158 1 17 . 1 1 113 113 PHE CB C 113 42.825 42.825 42.388 0.437 25104 15159 1 17 . 1 1 113 113 PHE H H 113 9.832 9.832 8.452 1.380 25104 15160 1 17 . 1 1 114 114 ILE N N 114 118.683 118.683 119.545 -0.862 25104 15161 1 17 . 1 1 114 114 ILE HA H 114 4.842 4.842 4.830 0.012 25104 15162 1 17 . 1 1 114 114 ILE C C 114 178.414 178.414 176.077 2.337 25104 15163 1 17 . 1 1 114 114 ILE CA C 114 60.265 60.265 59.896 0.369 25104 15164 1 17 . 1 1 114 114 ILE CB C 114 40.466 40.466 39.693 0.773 25104 15165 1 17 . 1 1 114 114 ILE H H 114 9.156 9.156 8.887 0.269 25104 15166 1 17 . 1 1 115 115 CYS N N 115 125.524 125.524 129.496 -3.972 25104 15167 1 17 . 1 1 115 115 CYS HA H 115 4.808 4.808 4.491 0.317 25104 15168 1 17 . 1 1 115 115 CYS C C 115 177.658 177.658 176.295 1.363 25104 15169 1 17 . 1 1 115 115 CYS CA C 115 60.803 60.803 58.826 1.977 25104 15170 1 17 . 1 1 115 115 CYS CB C 115 28.723 28.723 25.863 2.860 25104 15171 1 17 . 1 1 115 115 CYS H H 115 9.616 9.616 9.133 0.483 25104 15172 1 17 . 1 1 116 116 THR N N 116 115.801 115.801 116.736 -0.935 25104 15173 1 17 . 1 1 116 116 THR HA H 116 4.380 4.380 4.150 0.230 25104 15174 1 17 . 1 1 116 116 THR C C 116 178.496 178.496 173.948 4.548 25104 15175 1 17 . 1 1 116 116 THR CA C 116 60.844 60.844 62.587 -1.743 25104 15176 1 17 . 1 1 116 116 THR CB C 116 66.730 66.730 68.765 -2.035 25104 15177 1 17 . 1 1 116 116 THR H H 116 8.990 8.990 8.265 0.725 25104 15178 1 17 . 1 1 117 117 ALA N N 117 122.356 122.356 124.261 -1.905 25104 15179 1 17 . 1 1 117 117 ALA HA H 117 4.420 4.420 4.663 -0.243 25104 15180 1 17 . 1 1 117 117 ALA C C 117 176.114 176.114 175.486 0.628 25104 15181 1 17 . 1 1 117 117 ALA CA C 117 50.668 50.668 50.646 0.022 25104 15182 1 17 . 1 1 117 117 ALA CB C 117 22.795 22.795 21.756 1.039 25104 15183 1 17 . 1 1 117 117 ALA H H 117 7.641 7.641 7.321 0.320 25104 15184 1 17 . 1 1 118 118 LYS N N 118 119.855 119.855 119.605 0.250 25104 15185 1 17 . 1 1 118 118 LYS HA H 118 3.840 3.840 4.388 -0.548 25104 15186 1 17 . 1 1 118 118 LYS C C 118 177.211 177.211 176.274 0.937 25104 15187 1 17 . 1 1 118 118 LYS CA C 118 57.913 57.913 56.242 1.671 25104 15188 1 17 . 1 1 118 118 LYS CB C 118 32.708 32.708 29.985 2.723 25104 15189 1 17 . 1 1 118 118 LYS H H 118 8.693 8.693 8.566 0.127 25104 15190 1 17 . 1 1 119 119 THR N N 119 119.004 119.004 115.447 3.557 25104 15191 1 17 . 1 1 119 119 THR HA H 119 3.730 3.730 3.583 0.147 25104 15192 1 17 . 1 1 119 119 THR C C 119 177.928 177.928 175.000 2.928 25104 15193 1 17 . 1 1 119 119 THR CA C 119 57.301 57.301 60.793 -3.492 25104 15194 1 17 . 1 1 119 119 THR CB C 119 68.717 68.717 68.238 0.479 25104 15195 1 17 . 1 1 119 119 THR H H 119 7.373 7.373 8.089 -0.716 25104 15196 1 17 . 1 1 120 120 GLU N N 120 124.713 124.713 124.213 0.500 25104 15197 1 17 . 1 1 120 120 GLU HA H 120 4.162 4.162 4.331 -0.169 25104 15198 1 17 . 1 1 120 120 GLU C C 120 178.190 178.190 178.147 0.043 25104 15199 1 17 . 1 1 120 120 GLU CA C 120 59.334 59.334 58.105 1.229 25104 15200 1 17 . 1 1 120 120 GLU CB C 120 29.322 29.322 29.472 -0.150 25104 15201 1 17 . 1 1 120 120 GLU H H 120 9.139 9.139 7.871 1.268 25104 15202 1 17 . 1 1 121 121 TRP N N 121 117.782 117.782 117.079 0.703 25104 15203 1 17 . 1 1 121 121 TRP HA H 121 4.716 4.716 4.522 0.194 25104 15204 1 17 . 1 1 121 121 TRP C C 121 177.244 177.244 176.450 0.794 25104 15205 1 17 . 1 1 121 121 TRP CA C 121 59.748 59.748 57.698 2.050 25104 15206 1 17 . 1 1 121 121 TRP CB C 121 26.947 26.947 28.562 -1.615 25104 15207 1 17 . 1 1 121 121 TRP H H 121 7.297 7.297 7.843 -0.546 25104 15208 1 17 . 1 1 122 122 LEU N N 122 119.806 119.806 118.246 1.560 25104 15209 1 17 . 1 1 122 122 LEU HA H 122 4.315 4.315 4.248 0.067 25104 15210 1 17 . 1 1 122 122 LEU C C 122 173.304 173.304 176.629 -3.325 25104 15211 1 17 . 1 1 122 122 LEU CA C 122 54.543 54.543 54.366 0.177 25104 15212 1 17 . 1 1 122 122 LEU CB C 122 39.075 39.075 40.939 -1.864 25104 15213 1 17 . 1 1 122 122 LEU H H 122 7.037 7.037 6.636 0.401 25104 15214 1 17 . 1 1 123 123 ASP N N 123 122.205 122.205 120.741 1.464 25104 15215 1 17 . 1 1 123 123 ASP HA H 123 5.222 5.222 4.687 0.535 25104 15216 1 17 . 1 1 123 123 ASP C C 123 179.276 179.276 176.809 2.467 25104 15217 1 17 . 1 1 123 123 ASP CA C 123 55.889 55.889 55.729 0.160 25104 15218 1 17 . 1 1 123 123 ASP CB C 123 39.517 39.517 40.628 -1.111 25104 15219 1 17 . 1 1 123 123 ASP H H 123 7.643 7.643 7.350 0.293 25104 15220 1 17 . 1 1 124 124 GLY N N 124 111.205 111.205 112.515 -1.310 25104 15221 1 17 . 1 1 124 124 GLY C C 124 173.148 173.148 174.280 -1.132 25104 15222 1 17 . 1 1 124 124 GLY CA C 124 45.114 45.114 44.711 0.403 25104 15223 1 17 . 1 1 124 124 GLY H H 124 9.550 9.550 8.661 0.889 25104 15224 1 17 . 1 1 125 125 LYS N N 125 115.408 115.408 121.486 -6.078 25104 15225 1 17 . 1 1 125 125 LYS HA H 125 4.173 4.173 4.380 -0.207 25104 15226 1 17 . 1 1 125 125 LYS C C 125 176.351 176.351 176.341 0.010 25104 15227 1 17 . 1 1 125 125 LYS CA C 125 56.341 56.341 55.570 0.771 25104 15228 1 17 . 1 1 125 125 LYS CB C 125 35.504 35.504 33.884 1.620 25104 15229 1 17 . 1 1 125 125 LYS H H 125 7.765 7.765 7.523 0.242 25104 15230 1 17 . 1 1 126 126 HIS N N 126 119.526 119.526 115.474 4.052 25104 15231 1 17 . 1 1 126 126 HIS HA H 126 4.863 4.863 4.812 0.051 25104 15232 1 17 . 1 1 126 126 HIS C C 126 174.784 174.784 175.547 -0.763 25104 15233 1 17 . 1 1 126 126 HIS CA C 126 54.923 54.923 55.113 -0.190 25104 15234 1 17 . 1 1 126 126 HIS CB C 126 31.675 31.675 30.194 1.481 25104 15235 1 17 . 1 1 126 126 HIS H H 126 7.600 7.600 8.520 -0.920 25104 15236 1 17 . 1 1 127 127 VAL N N 127 125.009 125.009 121.131 3.878 25104 15237 1 17 . 1 1 127 127 VAL HA H 127 4.307 4.307 4.103 0.204 25104 15238 1 17 . 1 1 127 127 VAL C C 127 176.442 176.442 175.443 0.999 25104 15239 1 17 . 1 1 127 127 VAL CA C 127 63.893 63.893 62.913 0.980 25104 15240 1 17 . 1 1 127 127 VAL CB C 127 33.553 33.553 33.085 0.468 25104 15241 1 17 . 1 1 127 127 VAL H H 127 8.523 8.523 8.236 0.287 25104 15242 1 17 . 1 1 128 128 VAL N N 128 133.065 133.065 127.253 5.812 25104 15243 1 17 . 1 1 128 128 VAL HA H 128 4.176 4.176 3.743 0.433 25104 15244 1 17 . 1 1 128 128 VAL C C 128 176.113 176.113 175.618 0.495 25104 15245 1 17 . 1 1 128 128 VAL CA C 128 63.172 63.172 63.863 -0.691 25104 15246 1 17 . 1 1 128 128 VAL CB C 128 31.612 31.612 31.977 -0.366 25104 15247 1 17 . 1 1 128 128 VAL H H 128 9.474 9.474 7.833 1.641 25104 15248 1 17 . 1 1 129 129 PHE N N 129 117.892 117.892 118.293 -0.401 25104 15249 1 17 . 1 1 129 129 PHE HA H 129 5.308 5.308 4.922 0.386 25104 15250 1 17 . 1 1 129 129 PHE C C 129 173.725 173.725 174.109 -0.384 25104 15251 1 17 . 1 1 129 129 PHE CA C 129 55.969 55.969 56.530 -0.561 25104 15252 1 17 . 1 1 129 129 PHE CB C 129 42.581 42.581 41.430 1.151 25104 15253 1 17 . 1 1 129 129 PHE H H 129 8.138 8.138 7.974 0.164 25104 15254 1 17 . 1 1 130 130 GLY N N 130 110.747 110.747 106.352 4.395 25104 15255 1 17 . 1 1 130 130 GLY C C 130 171.591 171.591 171.576 0.015 25104 15256 1 17 . 1 1 130 130 GLY CA C 130 46.505 46.505 45.030 1.475 25104 15257 1 17 . 1 1 130 130 GLY H H 130 7.356 7.356 7.236 0.120 25104 15258 1 17 . 1 1 131 131 LYS N N 131 115.453 115.453 119.750 -4.297 25104 15259 1 17 . 1 1 131 131 LYS HA H 131 5.246 5.246 4.973 0.273 25104 15260 1 17 . 1 1 131 131 LYS C C 131 176.109 176.109 175.106 1.003 25104 15261 1 17 . 1 1 131 131 LYS CA C 131 54.887 54.887 55.183 -0.296 25104 15262 1 17 . 1 1 131 131 LYS CB C 131 36.077 36.077 37.236 -1.159 25104 15263 1 17 . 1 1 131 131 LYS H H 131 8.390 8.390 8.116 0.274 25104 15264 1 17 . 1 1 132 132 VAL N N 132 124.311 124.311 127.673 -3.362 25104 15265 1 17 . 1 1 132 132 VAL HA H 132 3.955 3.955 4.087 -0.132 25104 15266 1 17 . 1 1 132 132 VAL C C 132 176.489 176.489 175.405 1.084 25104 15267 1 17 . 1 1 132 132 VAL CA C 132 64.284 64.284 63.572 0.712 25104 15268 1 17 . 1 1 132 132 VAL CB C 132 32.709 32.709 32.068 0.641 25104 15269 1 17 . 1 1 132 132 VAL H H 132 9.071 9.071 8.547 0.524 25104 15270 1 17 . 1 1 133 133 LYS N N 133 131.670 131.670 127.127 4.543 25104 15271 1 17 . 1 1 133 133 LYS HA H 133 4.483 4.483 4.480 0.003 25104 15272 1 17 . 1 1 133 133 LYS C C 133 176.283 176.283 176.780 -0.497 25104 15273 1 17 . 1 1 133 133 LYS CA C 133 56.978 56.978 56.190 0.788 25104 15274 1 17 . 1 1 133 133 LYS CB C 133 34.028 34.028 33.513 0.515 25104 15275 1 17 . 1 1 133 133 LYS H H 133 9.494 9.494 8.523 0.971 25104 15276 1 17 . 1 1 134 134 GLU N N 134 118.417 118.417 119.728 -1.311 25104 15277 1 17 . 1 1 134 134 GLU HA H 134 4.639 4.639 4.570 0.069 25104 15278 1 17 . 1 1 134 134 GLU C C 134 175.925 175.925 175.991 -0.066 25104 15279 1 17 . 1 1 134 134 GLU CA C 134 55.235 55.235 55.517 -0.282 25104 15280 1 17 . 1 1 134 134 GLU CB C 134 32.909 32.909 33.418 -0.509 25104 15281 1 17 . 1 1 134 134 GLU H H 134 7.571 7.571 7.730 -0.159 25104 15282 1 17 . 1 1 135 135 GLY N N 135 108.109 108.109 112.276 -4.167 25104 15283 1 17 . 1 1 135 135 GLY C C 135 178.060 178.060 175.310 2.750 25104 15284 1 17 . 1 1 135 135 GLY CA C 135 46.195 46.195 46.003 0.192 25104 15285 1 17 . 1 1 135 135 GLY H H 135 8.695 8.695 8.946 -0.251 25104 15286 1 17 . 1 1 136 136 MET N N 136 122.582 122.582 119.697 2.885 25104 15287 1 17 . 1 1 136 136 MET HA H 136 4.496 4.496 4.086 0.410 25104 15288 1 17 . 1 1 136 136 MET C C 136 178.649 178.649 176.899 1.750 25104 15289 1 17 . 1 1 136 136 MET CA C 136 56.829 56.829 58.304 -1.475 25104 15290 1 17 . 1 1 136 136 MET CB C 136 30.215 30.215 32.580 -2.365 25104 15291 1 17 . 1 1 136 136 MET H H 136 8.854 8.854 8.362 0.492 25104 15292 1 17 . 1 1 137 137 ASN N N 137 114.457 114.457 117.394 -2.937 25104 15293 1 17 . 1 1 137 137 ASN HA H 137 4.504 4.504 4.636 -0.132 25104 15294 1 17 . 1 1 137 137 ASN C C 137 178.441 178.441 177.653 0.788 25104 15295 1 17 . 1 1 137 137 ASN CA C 137 55.819 55.819 56.542 -0.723 25104 15296 1 17 . 1 1 137 137 ASN CB C 137 36.016 36.016 37.688 -1.672 25104 15297 1 17 . 1 1 137 137 ASN H H 137 8.932 8.932 8.468 0.464 25104 15298 1 17 . 1 1 138 138 ILE N N 138 124.190 124.190 120.264 3.926 25104 15299 1 17 . 1 1 138 138 ILE HA H 138 3.800 3.800 3.799 0.001 25104 15300 1 17 . 1 1 138 138 ILE C C 138 178.595 178.595 177.859 0.736 25104 15301 1 17 . 1 1 138 138 ILE CA C 138 61.581 61.581 63.658 -2.078 25104 15302 1 17 . 1 1 138 138 ILE CB C 138 34.468 34.468 36.806 -2.338 25104 15303 1 17 . 1 1 138 138 ILE H H 138 7.686 7.686 7.691 -0.005 25104 15304 1 17 . 1 1 139 139 VAL N N 139 121.912 121.912 119.892 2.020 25104 15305 1 17 . 1 1 139 139 VAL HA H 139 3.879 3.879 3.446 0.433 25104 15306 1 17 . 1 1 139 139 VAL C C 139 179.051 179.051 178.317 0.734 25104 15307 1 17 . 1 1 139 139 VAL CA C 139 66.206 66.206 67.226 -1.020 25104 15308 1 17 . 1 1 139 139 VAL CB C 139 31.195 31.195 31.398 -0.203 25104 15309 1 17 . 1 1 139 139 VAL H H 139 7.286 7.286 7.920 -0.634 25104 15310 1 17 . 1 1 140 140 GLU N N 140 117.357 117.357 118.758 -1.401 25104 15311 1 17 . 1 1 140 140 GLU HA H 140 4.095 4.095 4.034 0.061 25104 15312 1 17 . 1 1 140 140 GLU C C 140 180.486 180.486 178.277 2.209 25104 15313 1 17 . 1 1 140 140 GLU CA C 140 59.336 59.336 59.102 0.234 25104 15314 1 17 . 1 1 140 140 GLU CB C 140 30.199 30.199 29.324 0.875 25104 15315 1 17 . 1 1 140 140 GLU H H 140 8.309 8.309 7.996 0.313 25104 15316 1 17 . 1 1 141 141 ALA N N 141 121.133 121.133 120.731 0.402 25104 15317 1 17 . 1 1 141 141 ALA HA H 141 4.118 4.118 4.067 0.051 25104 15318 1 17 . 1 1 141 141 ALA C C 141 181.524 181.524 179.674 1.850 25104 15319 1 17 . 1 1 141 141 ALA CA C 141 54.771 54.771 54.571 0.200 25104 15320 1 17 . 1 1 141 141 ALA CB C 141 18.207 18.207 18.965 -0.758 25104 15321 1 17 . 1 1 141 141 ALA H H 141 7.539 7.539 7.511 0.028 25104 15322 1 17 . 1 1 142 142 MET N N 142 117.513 117.513 117.467 0.046 25104 15323 1 17 . 1 1 142 142 MET HA H 142 3.993 3.993 4.597 -0.604 25104 15324 1 17 . 1 1 142 142 MET C C 142 178.862 178.862 178.492 0.370 25104 15325 1 17 . 1 1 142 142 MET CA C 142 59.678 59.678 58.338 1.340 25104 15326 1 17 . 1 1 142 142 MET CB C 142 33.723 33.723 32.465 1.258 25104 15327 1 17 . 1 1 142 142 MET H H 142 8.284 8.284 8.221 0.063 25104 15328 1 17 . 1 1 143 143 GLU N N 143 116.365 116.365 121.256 -4.891 25104 15329 1 17 . 1 1 143 143 GLU HA H 143 3.772 3.772 4.035 -0.263 25104 15330 1 17 . 1 1 143 143 GLU C C 143 179.051 179.051 178.483 0.568 25104 15331 1 17 . 1 1 143 143 GLU CA C 143 59.345 59.345 59.614 -0.269 25104 15332 1 17 . 1 1 143 143 GLU CB C 143 30.470 30.470 29.372 1.098 25104 15333 1 17 . 1 1 143 143 GLU H H 143 7.853 7.853 8.238 -0.385 25104 15334 1 17 . 1 1 144 144 ARG N N 144 114.753 114.753 116.846 -2.093 25104 15335 1 17 . 1 1 144 144 ARG HA H 144 3.978 3.978 4.122 -0.144 25104 15336 1 17 . 1 1 144 144 ARG C C 144 178.222 178.222 177.317 0.905 25104 15337 1 17 . 1 1 144 144 ARG CA C 144 57.669 57.669 57.607 0.062 25104 15338 1 17 . 1 1 144 144 ARG CB C 144 29.523 29.523 30.115 -0.592 25104 15339 1 17 . 1 1 144 144 ARG H H 144 7.082 7.082 7.285 -0.203 25104 15340 1 17 . 1 1 145 145 PHE N N 145 115.388 115.388 116.790 -1.402 25104 15341 1 17 . 1 1 145 145 PHE HA H 145 4.851 4.851 4.597 0.254 25104 15342 1 17 . 1 1 145 145 PHE C C 145 176.868 176.868 175.277 1.591 25104 15343 1 17 . 1 1 145 145 PHE CA C 145 57.717 57.717 58.302 -0.585 25104 15344 1 17 . 1 1 145 145 PHE CB C 145 38.998 38.998 39.164 -0.166 25104 15345 1 17 . 1 1 145 145 PHE H H 145 7.651 7.651 7.407 0.244 25104 15346 1 17 . 1 1 146 146 GLY N N 146 104.842 104.842 106.798 -1.956 25104 15347 1 17 . 1 1 146 146 GLY C C 146 172.946 172.946 173.860 -0.914 25104 15348 1 17 . 1 1 146 146 GLY CA C 146 44.065 44.065 44.248 -0.183 25104 15349 1 17 . 1 1 146 146 GLY H H 146 7.551 7.551 7.488 0.063 25104 15350 1 17 . 1 1 147 147 SER N N 147 110.079 110.079 113.790 -3.711 25104 15351 1 17 . 1 1 147 147 SER HA H 147 4.813 4.813 4.880 -0.067 25104 15352 1 17 . 1 1 147 147 SER C C 147 176.384 176.384 175.470 0.914 25104 15353 1 17 . 1 1 147 147 SER CA C 147 58.165 58.165 56.616 1.549 25104 15354 1 17 . 1 1 147 147 SER CB C 147 65.804 65.804 66.305 -0.501 25104 15355 1 17 . 1 1 147 147 SER H H 147 8.229 8.229 8.131 0.098 25104 15356 1 17 . 1 1 148 148 ARG N N 148 120.299 120.299 122.121 -1.822 25104 15357 1 17 . 1 1 148 148 ARG HA H 148 4.221 4.221 4.152 0.069 25104 15358 1 17 . 1 1 148 148 ARG C C 148 177.709 177.709 176.468 1.241 25104 15359 1 17 . 1 1 148 148 ARG CA C 148 59.810 59.810 58.748 1.062 25104 15360 1 17 . 1 1 148 148 ARG CB C 148 29.896 29.896 29.366 0.530 25104 15361 1 17 . 1 1 148 148 ARG H H 148 8.850 8.850 8.784 0.066 25104 15362 1 17 . 1 1 149 149 ASN N N 149 111.689 111.689 114.432 -2.743 25104 15363 1 17 . 1 1 149 149 ASN HA H 149 4.901 4.901 4.689 0.212 25104 15364 1 17 . 1 1 149 149 ASN C C 149 177.708 177.708 175.591 2.117 25104 15365 1 17 . 1 1 149 149 ASN CA C 149 52.305 52.305 52.802 -0.497 25104 15366 1 17 . 1 1 149 149 ASN CB C 149 38.477 38.477 38.264 0.213 25104 15367 1 17 . 1 1 149 149 ASN H H 149 7.891 7.891 8.099 -0.208 25104 15368 1 17 . 1 1 150 150 GLY N N 150 110.138 110.138 107.533 2.605 25104 15369 1 17 . 1 1 150 150 GLY C C 150 174.368 174.368 173.629 0.739 25104 15370 1 17 . 1 1 150 150 GLY CA C 150 45.257 45.257 44.936 0.321 25104 15371 1 17 . 1 1 150 150 GLY H H 150 8.087 8.087 8.018 0.069 25104 15372 1 17 . 1 1 151 151 LYS N N 151 119.859 119.859 123.497 -3.638 25104 15373 1 17 . 1 1 151 151 LYS HA H 151 4.466 4.466 4.238 0.228 25104 15374 1 17 . 1 1 151 151 LYS C C 151 179.533 179.533 175.518 4.015 25104 15375 1 17 . 1 1 151 151 LYS CA C 151 57.088 57.088 56.799 0.289 25104 15376 1 17 . 1 1 151 151 LYS CB C 151 32.435 32.435 32.446 -0.011 25104 15377 1 17 . 1 1 151 151 LYS H H 151 7.534 7.534 7.982 -0.448 25104 15378 1 17 . 1 1 152 152 THR N N 152 116.442 116.442 124.082 -7.640 25104 15379 1 17 . 1 1 152 152 THR HA H 152 5.579 5.579 4.696 0.883 25104 15380 1 17 . 1 1 152 152 THR C C 152 176.969 176.969 174.627 2.342 25104 15381 1 17 . 1 1 152 152 THR CA C 152 60.097 60.097 62.258 -2.161 25104 15382 1 17 . 1 1 152 152 THR CB C 152 71.324 71.324 69.261 2.063 25104 15383 1 17 . 1 1 152 152 THR H H 152 8.837 8.837 8.521 0.316 25104 15384 1 17 . 1 1 153 153 SER N N 153 117.113 117.113 122.848 -5.735 25104 15385 1 17 . 1 1 153 153 SER HA H 153 4.574 4.574 4.282 0.292 25104 15386 1 17 . 1 1 153 153 SER C C 153 175.737 175.737 174.575 1.162 25104 15387 1 17 . 1 1 153 153 SER CA C 153 58.222 58.222 61.297 -3.075 25104 15388 1 17 . 1 1 153 153 SER CB C 153 63.922 63.922 63.601 0.321 25104 15389 1 17 . 1 1 153 153 SER H H 153 9.424 9.424 8.873 0.551 25104 15390 1 17 . 1 1 154 154 LYS N N 154 119.347 119.347 119.607 -0.260 25104 15391 1 17 . 1 1 154 154 LYS HA H 154 4.594 4.594 4.405 0.189 25104 15392 1 17 . 1 1 154 154 LYS C C 154 175.436 175.436 175.503 -0.067 25104 15393 1 17 . 1 1 154 154 LYS CA C 154 54.578 54.578 54.089 0.489 25104 15394 1 17 . 1 1 154 154 LYS CB C 154 38.443 38.443 33.282 5.161 25104 15395 1 17 . 1 1 154 154 LYS H H 154 7.566 7.566 7.817 -0.251 25104 15396 1 17 . 1 1 155 155 LYS N N 155 121.869 121.869 126.311 -4.442 25104 15397 1 17 . 1 1 155 155 LYS HA H 155 4.348 4.348 4.381 -0.033 25104 15398 1 17 . 1 1 155 155 LYS C C 155 176.946 176.946 175.640 1.306 25104 15399 1 17 . 1 1 155 155 LYS CA C 155 56.325 56.325 55.446 0.880 25104 15400 1 17 . 1 1 155 155 LYS CB C 155 32.136 32.136 31.246 0.890 25104 15401 1 17 . 1 1 155 155 LYS H H 155 8.820 8.820 8.437 0.383 25104 15402 1 17 . 1 1 156 156 ILE N N 156 134.145 134.145 128.567 5.578 25104 15403 1 17 . 1 1 156 156 ILE HA H 156 5.134 5.134 4.646 0.488 25104 15404 1 17 . 1 1 156 156 ILE C C 156 177.451 177.451 175.726 1.725 25104 15405 1 17 . 1 1 156 156 ILE CA C 156 59.538 59.538 61.176 -1.638 25104 15406 1 17 . 1 1 156 156 ILE CB C 156 37.167 37.167 38.621 -1.454 25104 15407 1 17 . 1 1 156 156 ILE H H 156 9.609 9.609 7.996 1.613 25104 15408 1 17 . 1 1 157 157 THR N N 157 117.447 117.447 118.264 -0.817 25104 15409 1 17 . 1 1 157 157 THR HA H 157 5.311 5.311 5.080 0.231 25104 15410 1 17 . 1 1 157 157 THR C C 157 174.572 174.572 173.678 0.894 25104 15411 1 17 . 1 1 157 157 THR CA C 157 59.679 59.679 59.781 -0.102 25104 15412 1 17 . 1 1 157 157 THR CB C 157 72.708 72.708 72.122 0.586 25104 15413 1 17 . 1 1 157 157 THR H H 157 9.281 9.281 8.669 0.612 25104 15414 1 17 . 1 1 158 158 ILE N N 158 121.950 121.950 123.137 -1.187 25104 15415 1 17 . 1 1 158 158 ILE HA H 158 4.293 4.293 4.414 -0.121 25104 15416 1 17 . 1 1 158 158 ILE C C 158 175.631 175.631 176.695 -1.064 25104 15417 1 17 . 1 1 158 158 ILE CA C 158 60.992 60.992 61.389 -0.397 25104 15418 1 17 . 1 1 158 158 ILE CB C 158 36.826 36.826 36.792 0.034 25104 15419 1 17 . 1 1 158 158 ILE H H 158 8.624 8.624 8.409 0.215 25104 15420 1 17 . 1 1 159 159 ALA N N 159 132.727 132.727 131.060 1.667 25104 15421 1 17 . 1 1 159 159 ALA HA H 159 4.179 4.179 4.058 0.121 25104 15422 1 17 . 1 1 159 159 ALA C C 159 179.489 179.489 176.797 2.692 25104 15423 1 17 . 1 1 159 159 ALA CA C 159 54.243 54.243 54.819 -0.576 25104 15424 1 17 . 1 1 159 159 ALA CB C 159 18.804 18.804 19.366 -0.561 25104 15425 1 17 . 1 1 159 159 ALA H H 159 8.910 8.910 8.811 0.099 25104 15426 1 17 . 1 1 160 160 ASP N N 160 111.561 111.561 111.899 -0.338 25104 15427 1 17 . 1 1 160 160 ASP HA H 160 4.937 4.937 4.955 -0.018 25104 15428 1 17 . 1 1 160 160 ASP C C 160 173.920 173.920 174.315 -0.395 25104 15429 1 17 . 1 1 160 160 ASP CA C 160 52.873 52.873 54.008 -1.135 25104 15430 1 17 . 1 1 160 160 ASP CB C 160 43.620 43.620 44.444 -0.824 25104 15431 1 17 . 1 1 160 160 ASP H H 160 8.107 8.107 7.715 0.392 25104 15432 1 17 . 1 1 161 161 CYS N N 161 116.145 116.145 117.074 -0.929 25104 15433 1 17 . 1 1 161 161 CYS HA H 161 4.626 4.626 5.775 -1.149 25104 15434 1 17 . 1 1 161 161 CYS C C 161 173.426 173.426 174.129 -0.703 25104 15435 1 17 . 1 1 161 161 CYS CA C 161 55.518 55.518 56.383 -0.865 25104 15436 1 17 . 1 1 161 161 CYS CB C 161 31.463 31.463 32.436 -0.973 25104 15437 1 17 . 1 1 161 161 CYS H H 161 8.640 8.640 8.713 -0.073 25104 15438 1 17 . 1 1 162 162 GLY N N 162 104.114 104.114 107.957 -3.843 25104 15439 1 17 . 1 1 162 162 GLY C C 162 171.116 171.116 173.175 -2.059 25104 15440 1 17 . 1 1 162 162 GLY CA C 162 45.436 45.436 44.929 0.507 25104 15441 1 17 . 1 1 162 162 GLY H H 162 6.889 6.889 8.361 -1.472 25104 15442 1 17 . 1 1 163 163 GLN N N 163 121.022 121.022 120.442 0.580 25104 15443 1 17 . 1 1 163 163 GLN HA H 163 5.150 5.150 4.105 1.045 25104 15444 1 17 . 1 1 163 163 GLN C C 163 176.548 176.548 175.497 1.051 25104 15445 1 17 . 1 1 163 163 GLN CA C 163 54.794 54.794 56.720 -1.926 25104 15446 1 17 . 1 1 163 163 GLN CB C 163 30.765 30.765 29.062 1.703 25104 15447 1 17 . 1 1 163 163 GLN H H 163 9.062 9.062 8.073 0.989 25104 15448 1 17 . 1 1 164 164 LEU N N 164 126.034 126.034 129.787 -3.753 25104 15449 1 17 . 1 1 164 164 LEU HA H 164 4.641 4.641 4.408 0.233 25104 15450 1 17 . 1 1 164 164 LEU C C 164 177.108 177.108 175.527 1.581 25104 15451 1 17 . 1 1 164 164 LEU CA C 164 55.036 55.036 54.417 0.619 25104 15452 1 17 . 1 1 164 164 LEU CB C 164 43.560 43.560 41.011 2.549 25104 15453 1 17 . 1 1 164 164 LEU H H 164 8.639 8.639 8.207 0.432 25104 15454 1 18 . 1 1 2 2 VAL N N 2 111.261 111.261 122.515 -11.254 25104 15455 1 18 . 1 1 2 2 VAL HA H 2 4.126 4.126 4.035 0.091 25104 15456 1 18 . 1 1 2 2 VAL C C 2 176.404 176.404 174.897 1.507 25104 15457 1 18 . 1 1 2 2 VAL CA C 2 61.417 61.417 63.019 -1.601 25104 15458 1 18 . 1 1 2 2 VAL CB C 2 33.763 33.763 32.267 1.496 25104 15459 1 18 . 1 1 2 2 VAL H H 2 8.447 8.447 8.354 0.093 25104 15460 1 18 . 1 1 3 3 ASN N N 3 126.056 126.056 119.531 6.525 25104 15461 1 18 . 1 1 3 3 ASN HA H 3 5.205 5.205 5.079 0.126 25104 15462 1 18 . 1 1 3 3 ASN CA C 3 50.987 50.987 50.730 0.257 25104 15463 1 18 . 1 1 3 3 ASN CB C 3 38.031 38.031 38.728 -0.697 25104 15464 1 18 . 1 1 3 3 ASN H H 3 8.666 8.666 7.850 0.816 25104 15465 1 18 . 1 1 4 4 PRO HA H 4 4.818 4.818 4.317 0.501 25104 15466 1 18 . 1 1 4 4 PRO C C 4 176.242 176.242 176.253 -0.011 25104 15467 1 18 . 1 1 4 4 PRO CA C 4 62.832 62.832 63.094 -0.262 25104 15468 1 18 . 1 1 4 4 PRO CB C 4 33.162 33.162 32.464 0.698 25104 15469 1 18 . 1 1 5 5 THR N N 5 115.265 115.265 119.742 -4.477 25104 15470 1 18 . 1 1 5 5 THR HA H 5 5.759 5.759 5.063 0.696 25104 15471 1 18 . 1 1 5 5 THR C C 5 176.483 176.483 173.736 2.747 25104 15472 1 18 . 1 1 5 5 THR CA C 5 60.867 60.867 62.017 -1.150 25104 15473 1 18 . 1 1 5 5 THR CB C 5 71.050 71.050 69.837 1.213 25104 15474 1 18 . 1 1 5 5 THR H H 5 8.787 8.787 8.033 0.754 25104 15475 1 18 . 1 1 6 6 VAL N N 6 120.640 120.640 127.451 -6.811 25104 15476 1 18 . 1 1 6 6 VAL HA H 6 5.379 5.379 4.237 1.142 25104 15477 1 18 . 1 1 6 6 VAL C C 6 174.710 174.710 174.304 0.406 25104 15478 1 18 . 1 1 6 6 VAL CA C 6 58.881 58.881 60.958 -2.077 25104 15479 1 18 . 1 1 6 6 VAL CB C 6 36.180 36.180 32.554 3.626 25104 15480 1 18 . 1 1 6 6 VAL H H 6 8.805 8.805 8.609 0.196 25104 15481 1 18 . 1 1 7 7 PHE N N 7 119.359 119.359 129.166 -9.807 25104 15482 1 18 . 1 1 7 7 PHE HA H 7 5.948 5.948 4.984 0.964 25104 15483 1 18 . 1 1 7 7 PHE C C 7 173.634 173.634 173.695 -0.061 25104 15484 1 18 . 1 1 7 7 PHE CA C 7 55.925 55.925 56.603 -0.678 25104 15485 1 18 . 1 1 7 7 PHE CB C 7 43.166 43.166 41.320 1.846 25104 15486 1 18 . 1 1 7 7 PHE H H 7 8.995 8.995 8.629 0.366 25104 15487 1 18 . 1 1 8 8 PHE N N 8 117.097 117.097 124.767 -7.670 25104 15488 1 18 . 1 1 8 8 PHE HA H 8 5.367 5.367 5.235 0.132 25104 15489 1 18 . 1 1 8 8 PHE C C 8 176.000 176.000 174.037 1.963 25104 15490 1 18 . 1 1 8 8 PHE CA C 8 53.460 53.460 55.270 -1.810 25104 15491 1 18 . 1 1 8 8 PHE CB C 8 42.791 42.791 43.694 -0.903 25104 15492 1 18 . 1 1 8 8 PHE H H 8 9.571 9.571 8.613 0.958 25104 15493 1 18 . 1 1 9 9 ASP N N 9 124.287 124.287 122.046 2.241 25104 15494 1 18 . 1 1 9 9 ASP HA H 9 5.585 5.585 5.062 0.523 25104 15495 1 18 . 1 1 9 9 ASP C C 9 176.286 176.286 175.067 1.219 25104 15496 1 18 . 1 1 9 9 ASP CA C 9 54.831 54.831 53.747 1.084 25104 15497 1 18 . 1 1 9 9 ASP CB C 9 41.366 41.366 42.800 -1.434 25104 15498 1 18 . 1 1 9 9 ASP H H 9 9.301 9.301 8.672 0.629 25104 15499 1 18 . 1 1 10 10 ILE N N 10 124.286 124.286 124.209 0.077 25104 15500 1 18 . 1 1 10 10 ILE HA H 10 5.213 5.213 4.270 0.943 25104 15501 1 18 . 1 1 10 10 ILE C C 10 177.031 177.031 174.546 2.485 25104 15502 1 18 . 1 1 10 10 ILE CA C 10 58.233 58.233 59.435 -1.202 25104 15503 1 18 . 1 1 10 10 ILE CB C 10 37.769 37.769 36.903 0.866 25104 15504 1 18 . 1 1 10 10 ILE H H 10 9.059 9.059 8.293 0.766 25104 15505 1 18 . 1 1 11 11 ALA N N 11 132.503 132.503 131.290 1.213 25104 15506 1 18 . 1 1 11 11 ALA HA H 11 5.216 5.216 5.097 0.119 25104 15507 1 18 . 1 1 11 11 ALA C C 11 175.928 175.928 175.389 0.539 25104 15508 1 18 . 1 1 11 11 ALA CA C 11 50.948 50.948 50.253 0.695 25104 15509 1 18 . 1 1 11 11 ALA CB C 11 22.804 22.804 21.723 1.081 25104 15510 1 18 . 1 1 11 11 ALA H H 11 9.642 9.642 8.945 0.697 25104 15511 1 18 . 1 1 12 12 VAL N N 12 118.551 118.551 124.142 -5.591 25104 15512 1 18 . 1 1 12 12 VAL HA H 12 4.578 4.578 3.911 0.667 25104 15513 1 18 . 1 1 12 12 VAL C C 12 177.347 177.347 175.816 1.531 25104 15514 1 18 . 1 1 12 12 VAL CA C 12 60.457 60.457 61.888 -1.431 25104 15515 1 18 . 1 1 12 12 VAL CB C 12 33.301 33.301 32.583 0.718 25104 15516 1 18 . 1 1 12 12 VAL H H 12 8.984 8.984 8.203 0.781 25104 15517 1 18 . 1 1 13 13 ASP N N 13 131.009 131.009 126.881 4.128 25104 15518 1 18 . 1 1 13 13 ASP HA H 13 4.359 4.359 4.231 0.128 25104 15519 1 18 . 1 1 13 13 ASP C C 13 176.795 176.795 176.519 0.276 25104 15520 1 18 . 1 1 13 13 ASP CA C 13 55.880 55.880 55.430 0.450 25104 15521 1 18 . 1 1 13 13 ASP CB C 13 39.999 39.999 39.477 0.521 25104 15522 1 18 . 1 1 13 13 ASP H H 13 9.868 9.868 8.933 0.935 25104 15523 1 18 . 1 1 14 14 GLY N N 14 101.848 101.848 104.920 -3.072 25104 15524 1 18 . 1 1 14 14 GLY C C 14 174.700 174.700 174.062 0.638 25104 15525 1 18 . 1 1 14 14 GLY CA C 14 45.303 45.303 45.432 -0.129 25104 15526 1 18 . 1 1 14 14 GLY H H 14 8.578 8.578 8.165 0.413 25104 15527 1 18 . 1 1 15 15 GLU N N 15 123.331 123.331 121.466 1.865 25104 15528 1 18 . 1 1 15 15 GLU HA H 15 4.891 4.891 4.777 0.114 25104 15529 1 18 . 1 1 15 15 GLU CA C 15 52.932 52.932 52.897 0.035 25104 15530 1 18 . 1 1 15 15 GLU CB C 15 30.468 30.468 30.012 0.456 25104 15531 1 18 . 1 1 15 15 GLU H H 15 8.086 8.086 7.561 0.525 25104 15532 1 18 . 1 1 16 16 PRO HA H 16 4.240 4.240 4.407 -0.167 25104 15533 1 18 . 1 1 16 16 PRO C C 16 177.072 177.072 176.148 0.924 25104 15534 1 18 . 1 1 16 16 PRO CA C 16 64.838 64.838 63.443 1.395 25104 15535 1 18 . 1 1 16 16 PRO CB C 16 32.368 32.368 31.842 0.526 25104 15536 1 18 . 1 1 17 17 LEU N N 17 126.051 126.051 127.256 -1.205 25104 15537 1 18 . 1 1 17 17 LEU HA H 17 4.739 4.739 4.274 0.465 25104 15538 1 18 . 1 1 17 17 LEU C C 17 176.975 176.975 176.874 0.101 25104 15539 1 18 . 1 1 17 17 LEU CA C 17 55.511 55.511 55.621 -0.110 25104 15540 1 18 . 1 1 17 17 LEU CB C 17 44.257 44.257 43.053 1.204 25104 15541 1 18 . 1 1 17 17 LEU H H 17 9.237 9.237 8.387 0.850 25104 15542 1 18 . 1 1 18 18 GLY N N 18 102.496 102.496 104.526 -2.030 25104 15543 1 18 . 1 1 18 18 GLY C C 18 170.997 170.997 171.718 -0.721 25104 15544 1 18 . 1 1 18 18 GLY CA C 18 44.713 44.713 45.030 -0.317 25104 15545 1 18 . 1 1 18 18 GLY H H 18 7.303 7.303 7.584 -0.281 25104 15546 1 18 . 1 1 19 19 ARG N N 19 121.330 121.330 119.353 1.977 25104 15547 1 18 . 1 1 19 19 ARG HA H 19 5.665 5.665 4.527 1.138 25104 15548 1 18 . 1 1 19 19 ARG C C 19 176.011 176.011 175.109 0.902 25104 15549 1 18 . 1 1 19 19 ARG CA C 19 55.106 55.106 55.677 -0.571 25104 15550 1 18 . 1 1 19 19 ARG CB C 19 33.587 33.587 32.080 1.507 25104 15551 1 18 . 1 1 19 19 ARG H H 19 8.348 8.348 8.362 -0.014 25104 15552 1 18 . 1 1 20 20 VAL N N 20 126.859 126.859 125.372 1.487 25104 15553 1 18 . 1 1 20 20 VAL HA H 20 4.650 4.650 4.400 0.250 25104 15554 1 18 . 1 1 20 20 VAL C C 20 174.836 174.836 174.266 0.570 25104 15555 1 18 . 1 1 20 20 VAL CA C 20 59.966 59.966 61.107 -1.141 25104 15556 1 18 . 1 1 20 20 VAL CB C 20 35.034 35.034 35.477 -0.444 25104 15557 1 18 . 1 1 20 20 VAL H H 20 9.400 9.400 8.282 1.118 25104 15558 1 18 . 1 1 21 21 SER N N 21 120.319 120.319 119.732 0.587 25104 15559 1 18 . 1 1 21 21 SER HA H 21 5.565 5.565 5.364 0.201 25104 15560 1 18 . 1 1 21 21 SER C C 21 174.694 174.694 173.699 0.995 25104 15561 1 18 . 1 1 21 21 SER CA C 21 55.462 55.462 56.650 -1.188 25104 15562 1 18 . 1 1 21 21 SER CB C 21 66.546 66.546 65.635 0.911 25104 15563 1 18 . 1 1 21 21 SER H H 21 8.791 8.791 8.271 0.520 25104 15564 1 18 . 1 1 22 22 PHE N N 22 119.239 119.239 122.778 -3.539 25104 15565 1 18 . 1 1 22 22 PHE HA H 22 5.279 5.279 5.082 0.197 25104 15566 1 18 . 1 1 22 22 PHE C C 22 176.190 176.190 175.713 0.477 25104 15567 1 18 . 1 1 22 22 PHE CA C 22 55.882 55.882 56.625 -0.743 25104 15568 1 18 . 1 1 22 22 PHE CB C 22 42.673 42.673 42.050 0.623 25104 15569 1 18 . 1 1 22 22 PHE H H 22 9.553 9.553 9.223 0.330 25104 15570 1 18 . 1 1 23 23 GLU N N 23 123.308 123.308 121.049 2.259 25104 15571 1 18 . 1 1 23 23 GLU HA H 23 4.797 4.797 5.129 -0.332 25104 15572 1 18 . 1 1 23 23 GLU C C 23 175.673 175.673 175.440 0.233 25104 15573 1 18 . 1 1 23 23 GLU CA C 23 55.119 55.119 54.989 0.130 25104 15574 1 18 . 1 1 23 23 GLU CB C 23 32.058 32.058 32.484 -0.426 25104 15575 1 18 . 1 1 23 23 GLU H H 23 8.791 8.791 8.677 0.114 25104 15576 1 18 . 1 1 24 24 LEU N N 24 122.539 122.539 126.500 -3.961 25104 15577 1 18 . 1 1 24 24 LEU HA H 24 4.749 4.749 4.925 -0.176 25104 15578 1 18 . 1 1 24 24 LEU C C 24 178.229 178.229 177.118 1.111 25104 15579 1 18 . 1 1 24 24 LEU CA C 24 51.899 51.899 53.977 -2.078 25104 15580 1 18 . 1 1 24 24 LEU CB C 24 43.248 43.248 42.882 0.366 25104 15581 1 18 . 1 1 24 24 LEU H H 24 8.198 8.198 8.742 -0.544 25104 15582 1 18 . 1 1 25 25 PHE N N 25 124.715 124.715 122.899 1.816 25104 15583 1 18 . 1 1 25 25 PHE HA H 25 5.171 5.171 4.767 0.404 25104 15584 1 18 . 1 1 25 25 PHE C C 25 177.485 177.485 175.582 1.903 25104 15585 1 18 . 1 1 25 25 PHE CA C 25 54.699 54.699 57.171 -2.472 25104 15586 1 18 . 1 1 25 25 PHE CB C 25 36.100 36.100 36.641 -0.541 25104 15587 1 18 . 1 1 25 25 PHE H H 25 8.864 8.864 9.377 -0.513 25104 15588 1 18 . 1 1 26 26 ALA N N 26 128.663 128.663 124.788 3.875 25104 15589 1 18 . 1 1 26 26 ALA HA H 26 3.838 3.838 4.151 -0.313 25104 15590 1 18 . 1 1 26 26 ALA C C 26 177.291 177.291 178.219 -0.928 25104 15591 1 18 . 1 1 26 26 ALA CA C 26 54.316 54.316 54.901 -0.584 25104 15592 1 18 . 1 1 26 26 ALA CB C 26 19.002 19.002 18.955 0.047 25104 15593 1 18 . 1 1 26 26 ALA H H 26 8.480 8.480 7.722 0.758 25104 15594 1 18 . 1 1 27 27 ASP N N 27 114.191 114.191 116.085 -1.894 25104 15595 1 18 . 1 1 27 27 ASP HA H 27 4.197 4.197 4.461 -0.264 25104 15596 1 18 . 1 1 27 27 ASP C C 27 177.976 177.976 177.208 0.768 25104 15597 1 18 . 1 1 27 27 ASP CA C 27 55.410 55.410 56.037 -0.627 25104 15598 1 18 . 1 1 27 27 ASP CB C 27 38.821 38.821 40.172 -1.351 25104 15599 1 18 . 1 1 27 27 ASP H H 27 9.145 9.145 8.587 0.558 25104 15600 1 18 . 1 1 28 28 LYS N N 28 118.107 118.107 119.217 -1.110 25104 15601 1 18 . 1 1 28 28 LYS HA H 28 4.599 4.599 4.378 0.221 25104 15602 1 18 . 1 1 28 28 LYS C C 28 177.840 177.840 177.355 0.485 25104 15603 1 18 . 1 1 28 28 LYS CA C 28 56.262 56.262 57.791 -1.528 25104 15604 1 18 . 1 1 28 28 LYS CB C 28 36.006 36.006 34.362 1.644 25104 15605 1 18 . 1 1 28 28 LYS H H 28 7.569 7.569 7.700 -0.131 25104 15606 1 18 . 1 1 29 29 VAL N N 29 114.551 114.551 113.325 1.226 25104 15607 1 18 . 1 1 29 29 VAL HA H 29 4.487 4.487 4.844 -0.357 25104 15608 1 18 . 1 1 29 29 VAL CA C 29 58.309 58.309 59.106 -0.797 25104 15609 1 18 . 1 1 29 29 VAL CB C 29 32.078 32.078 32.312 -0.234 25104 15610 1 18 . 1 1 29 29 VAL H H 29 8.364 8.364 8.033 0.331 25104 15611 1 18 . 1 1 30 30 PRO HA H 30 4.450 4.450 4.391 0.059 25104 15612 1 18 . 1 1 30 30 PRO C C 30 181.892 181.892 178.288 3.604 25104 15613 1 18 . 1 1 30 30 PRO CA C 30 66.227 66.227 65.255 0.972 25104 15614 1 18 . 1 1 30 30 PRO CB C 30 31.547 31.547 31.798 -0.251 25104 15615 1 18 . 1 1 31 31 LYS N N 31 123.785 123.785 119.050 4.735 25104 15616 1 18 . 1 1 31 31 LYS HA H 31 4.105 4.105 3.935 0.170 25104 15617 1 18 . 1 1 31 31 LYS C C 31 182.749 182.749 178.084 4.665 25104 15618 1 18 . 1 1 31 31 LYS CA C 31 61.057 61.057 59.993 1.063 25104 15619 1 18 . 1 1 31 31 LYS CB C 31 32.468 32.468 31.788 0.680 25104 15620 1 18 . 1 1 31 31 LYS H H 31 10.684 10.684 8.583 2.101 25104 15621 1 18 . 1 1 32 32 THR N N 32 124.002 124.002 112.830 11.172 25104 15622 1 18 . 1 1 32 32 THR HA H 32 4.034 4.034 4.118 -0.084 25104 15623 1 18 . 1 1 32 32 THR C C 32 178.673 178.673 176.166 2.507 25104 15624 1 18 . 1 1 32 32 THR CA C 32 67.526 67.526 65.924 1.602 25104 15625 1 18 . 1 1 32 32 THR CB C 32 68.705 68.705 68.277 0.428 25104 15626 1 18 . 1 1 32 32 THR H H 32 10.320 10.320 8.144 2.176 25104 15627 1 18 . 1 1 33 33 ALA N N 33 125.616 125.616 124.352 1.264 25104 15628 1 18 . 1 1 33 33 ALA HA H 33 4.092 4.092 4.369 -0.277 25104 15629 1 18 . 1 1 33 33 ALA C C 33 179.174 179.174 178.921 0.253 25104 15630 1 18 . 1 1 33 33 ALA CA C 33 55.972 55.972 55.408 0.563 25104 15631 1 18 . 1 1 33 33 ALA CB C 33 18.414 18.414 18.193 0.221 25104 15632 1 18 . 1 1 33 33 ALA H H 33 9.311 9.311 7.949 1.362 25104 15633 1 18 . 1 1 34 34 GLU N N 34 117.376 117.376 119.029 -1.653 25104 15634 1 18 . 1 1 34 34 GLU HA H 34 4.556 4.556 3.918 0.638 25104 15635 1 18 . 1 1 34 34 GLU C C 34 178.418 178.418 178.506 -0.088 25104 15636 1 18 . 1 1 34 34 GLU CA C 34 58.238 58.238 59.424 -1.186 25104 15637 1 18 . 1 1 34 34 GLU CB C 34 28.181 28.181 29.613 -1.432 25104 15638 1 18 . 1 1 34 34 GLU H H 34 8.069 8.069 8.138 -0.069 25104 15639 1 18 . 1 1 35 35 ASN N N 35 115.722 115.722 118.945 -3.223 25104 15640 1 18 . 1 1 35 35 ASN HA H 35 4.108 4.108 4.385 -0.277 25104 15641 1 18 . 1 1 35 35 ASN C C 35 175.568 175.568 177.133 -1.565 25104 15642 1 18 . 1 1 35 35 ASN CA C 35 56.768 56.768 56.143 0.625 25104 15643 1 18 . 1 1 35 35 ASN CB C 35 39.644 39.644 38.175 1.469 25104 15644 1 18 . 1 1 35 35 ASN H H 35 7.193 7.193 7.845 -0.652 25104 15645 1 18 . 1 1 36 36 PHE N N 36 117.929 117.929 120.497 -2.568 25104 15646 1 18 . 1 1 36 36 PHE HA H 36 4.158 4.158 4.106 0.052 25104 15647 1 18 . 1 1 36 36 PHE C C 36 179.707 179.707 177.461 2.246 25104 15648 1 18 . 1 1 36 36 PHE CA C 36 61.589 61.589 61.369 0.220 25104 15649 1 18 . 1 1 36 36 PHE CB C 36 39.948 39.948 39.147 0.801 25104 15650 1 18 . 1 1 36 36 PHE H H 36 7.065 7.065 7.439 -0.374 25104 15651 1 18 . 1 1 37 37 ARG N N 37 121.048 121.048 120.242 0.806 25104 15652 1 18 . 1 1 37 37 ARG HA H 37 3.685 3.685 3.817 -0.132 25104 15653 1 18 . 1 1 37 37 ARG C C 37 179.000 179.000 177.936 1.064 25104 15654 1 18 . 1 1 37 37 ARG CA C 37 60.515 60.515 59.827 0.688 25104 15655 1 18 . 1 1 37 37 ARG CB C 37 29.880 29.880 30.176 -0.296 25104 15656 1 18 . 1 1 37 37 ARG H H 37 8.975 8.975 8.239 0.736 25104 15657 1 18 . 1 1 38 38 ALA N N 38 119.232 119.232 121.240 -2.008 25104 15658 1 18 . 1 1 38 38 ALA HA H 38 4.126 4.126 4.349 -0.223 25104 15659 1 18 . 1 1 38 38 ALA C C 38 183.365 183.365 179.473 3.892 25104 15660 1 18 . 1 1 38 38 ALA CA C 38 54.477 54.477 54.274 0.203 25104 15661 1 18 . 1 1 38 38 ALA CB C 38 18.405 18.405 18.608 -0.203 25104 15662 1 18 . 1 1 38 38 ALA H H 38 8.741 8.741 7.965 0.776 25104 15663 1 18 . 1 1 39 39 LEU N N 39 120.723 120.723 118.217 2.506 25104 15664 1 18 . 1 1 39 39 LEU HA H 39 3.800 3.800 3.996 -0.196 25104 15665 1 18 . 1 1 39 39 LEU C C 39 180.481 180.481 178.996 1.485 25104 15666 1 18 . 1 1 39 39 LEU CA C 39 57.268 57.268 57.854 -0.586 25104 15667 1 18 . 1 1 39 39 LEU CB C 39 41.218 41.218 41.850 -0.632 25104 15668 1 18 . 1 1 39 39 LEU H H 39 8.212 8.212 8.320 -0.108 25104 15669 1 18 . 1 1 40 40 SER N N 40 119.210 119.210 114.207 5.003 25104 15670 1 18 . 1 1 40 40 SER HA H 40 4.341 4.341 4.293 0.048 25104 15671 1 18 . 1 1 40 40 SER C C 40 175.380 175.380 176.973 -1.593 25104 15672 1 18 . 1 1 40 40 SER CA C 40 62.924 62.924 61.219 1.705 25104 15673 1 18 . 1 1 40 40 SER CB C 40 62.992 62.992 63.259 -0.267 25104 15674 1 18 . 1 1 40 40 SER H H 40 7.938 7.938 7.959 -0.021 25104 15675 1 18 . 1 1 41 41 THR N N 41 108.556 108.556 111.350 -2.794 25104 15676 1 18 . 1 1 41 41 THR HA H 41 4.508 4.508 4.204 0.304 25104 15677 1 18 . 1 1 41 41 THR C C 41 179.088 179.088 175.869 3.219 25104 15678 1 18 . 1 1 41 41 THR CA C 41 62.492 62.492 63.806 -1.314 25104 15679 1 18 . 1 1 41 41 THR CB C 41 69.663 69.663 69.516 0.147 25104 15680 1 18 . 1 1 41 41 THR H H 41 8.017 8.017 8.126 -0.109 25104 15681 1 18 . 1 1 42 42 GLY N N 42 108.433 108.433 110.541 -2.108 25104 15682 1 18 . 1 1 42 42 GLY C C 42 178.676 178.676 175.947 2.729 25104 15683 1 18 . 1 1 42 42 GLY CA C 42 45.840 45.840 45.548 0.292 25104 15684 1 18 . 1 1 42 42 GLY H H 42 7.621 7.621 7.630 -0.009 25104 15685 1 18 . 1 1 43 43 GLU N N 43 118.777 118.777 120.526 -1.749 25104 15686 1 18 . 1 1 43 43 GLU HA H 43 4.171 4.171 4.115 0.056 25104 15687 1 18 . 1 1 43 43 GLU C C 43 177.458 177.458 177.393 0.065 25104 15688 1 18 . 1 1 43 43 GLU CA C 43 58.580 58.580 58.058 0.522 25104 15689 1 18 . 1 1 43 43 GLU H H 43 8.049 8.049 8.120 -0.071 25104 15690 1 18 . 1 1 44 44 LYS N N 44 118.526 118.526 116.365 2.161 25104 15691 1 18 . 1 1 44 44 LYS HA H 44 4.342 4.342 4.352 -0.010 25104 15692 1 18 . 1 1 44 44 LYS C C 44 177.590 177.590 175.914 1.676 25104 15693 1 18 . 1 1 44 44 LYS CA C 44 54.405 54.405 54.386 0.019 25104 15694 1 18 . 1 1 44 44 LYS CB C 44 30.488 30.488 32.212 -1.724 25104 15695 1 18 . 1 1 44 44 LYS H H 44 9.123 9.123 7.321 1.802 25104 15696 1 18 . 1 1 45 45 GLY N N 45 105.553 105.553 108.095 -2.542 25104 15697 1 18 . 1 1 45 45 GLY C C 45 173.518 173.518 173.903 -0.385 25104 15698 1 18 . 1 1 45 45 GLY CA C 45 44.612 44.612 45.522 -0.909 25104 15699 1 18 . 1 1 45 45 GLY H H 45 7.970 7.970 7.460 0.510 25104 15700 1 18 . 1 1 46 46 PHE N N 46 113.753 113.753 117.850 -4.097 25104 15701 1 18 . 1 1 46 46 PHE HA H 46 4.678 4.678 4.430 0.248 25104 15702 1 18 . 1 1 46 46 PHE C C 46 173.684 173.684 175.704 -2.020 25104 15703 1 18 . 1 1 46 46 PHE CA C 46 54.077 54.077 57.007 -2.930 25104 15704 1 18 . 1 1 46 46 PHE CB C 46 39.658 39.658 39.894 -0.236 25104 15705 1 18 . 1 1 46 46 PHE H H 46 6.469 6.469 7.518 -1.049 25104 15706 1 18 . 1 1 47 47 GLY N N 47 104.722 104.722 108.200 -3.478 25104 15707 1 18 . 1 1 47 47 GLY C C 47 172.446 172.446 174.985 -2.539 25104 15708 1 18 . 1 1 47 47 GLY CA C 47 45.601 45.601 45.711 -0.110 25104 15709 1 18 . 1 1 47 47 GLY H H 47 7.756 7.756 7.989 -0.233 25104 15710 1 18 . 1 1 48 48 TYR N N 48 113.796 113.796 119.350 -5.554 25104 15711 1 18 . 1 1 48 48 TYR HA H 48 4.270 4.270 4.205 0.065 25104 15712 1 18 . 1 1 48 48 TYR C C 48 178.924 178.924 175.848 3.076 25104 15713 1 18 . 1 1 48 48 TYR CA C 48 57.365 57.365 58.042 -0.677 25104 15714 1 18 . 1 1 48 48 TYR CB C 48 38.832 38.832 36.870 1.962 25104 15715 1 18 . 1 1 48 48 TYR H H 48 6.948 6.948 8.036 -1.088 25104 15716 1 18 . 1 1 49 49 LYS N N 49 124.858 124.858 126.502 -1.644 25104 15717 1 18 . 1 1 49 49 LYS HA H 49 3.655 3.655 4.405 -0.750 25104 15718 1 18 . 1 1 49 49 LYS C C 49 178.388 178.388 176.828 1.560 25104 15719 1 18 . 1 1 49 49 LYS CA C 49 61.018 61.018 55.861 5.157 25104 15720 1 18 . 1 1 49 49 LYS CB C 49 31.484 31.484 31.872 -0.388 25104 15721 1 18 . 1 1 49 49 LYS H H 49 8.493 8.493 8.469 0.024 25104 15722 1 18 . 1 1 50 50 GLY N N 50 117.833 117.833 114.398 3.435 25104 15723 1 18 . 1 1 50 50 GLY C C 50 175.259 175.259 174.382 0.877 25104 15724 1 18 . 1 1 50 50 GLY CA C 50 45.495 45.495 44.599 0.896 25104 15725 1 18 . 1 1 50 50 GLY H H 50 9.509 9.509 8.539 0.970 25104 15726 1 18 . 1 1 51 51 SER N N 51 116.413 116.413 117.354 -0.941 25104 15727 1 18 . 1 1 51 51 SER HA H 51 4.516 4.516 4.373 0.143 25104 15728 1 18 . 1 1 51 51 SER C C 51 172.808 172.808 174.966 -2.158 25104 15729 1 18 . 1 1 51 51 SER CA C 51 59.043 59.043 59.673 -0.630 25104 15730 1 18 . 1 1 51 51 SER CB C 51 63.781 63.781 63.187 0.594 25104 15731 1 18 . 1 1 51 51 SER H H 51 8.436 8.436 8.133 0.303 25104 15732 1 18 . 1 1 52 52 CYS N N 52 115.156 115.156 122.107 -6.951 25104 15733 1 18 . 1 1 52 52 CYS HA H 52 5.932 5.932 4.933 0.999 25104 15734 1 18 . 1 1 52 52 CYS C C 52 177.437 177.437 174.244 3.193 25104 15735 1 18 . 1 1 52 52 CYS CA C 52 55.998 55.998 56.706 -0.708 25104 15736 1 18 . 1 1 52 52 CYS CB C 52 31.953 31.953 29.459 2.494 25104 15737 1 18 . 1 1 52 52 CYS H H 52 9.875 9.875 8.578 1.297 25104 15738 1 18 . 1 1 53 53 PHE N N 53 123.068 123.068 123.787 -0.719 25104 15739 1 18 . 1 1 53 53 PHE HA H 53 4.899 4.899 4.439 0.460 25104 15740 1 18 . 1 1 53 53 PHE C C 53 175.886 175.886 175.751 0.135 25104 15741 1 18 . 1 1 53 53 PHE CA C 53 58.389 58.389 58.537 -0.148 25104 15742 1 18 . 1 1 53 53 PHE CB C 53 39.535 39.535 37.480 2.055 25104 15743 1 18 . 1 1 53 53 PHE H H 53 8.732 8.732 8.794 -0.062 25104 15744 1 18 . 1 1 54 54 HIS N N 54 120.227 120.227 118.154 2.073 25104 15745 1 18 . 1 1 54 54 HIS HA H 54 4.763 4.763 4.872 -0.109 25104 15746 1 18 . 1 1 54 54 HIS C C 54 176.409 176.409 174.409 2.000 25104 15747 1 18 . 1 1 54 54 HIS CA C 54 57.323 57.323 55.379 1.944 25104 15748 1 18 . 1 1 54 54 HIS CB C 54 31.542 31.542 31.634 -0.093 25104 15749 1 18 . 1 1 54 54 HIS H H 54 7.696 7.696 7.632 0.064 25104 15750 1 18 . 1 1 55 55 ARG N N 55 123.202 123.202 121.285 1.917 25104 15751 1 18 . 1 1 55 55 ARG HA H 55 5.118 5.118 5.449 -0.331 25104 15752 1 18 . 1 1 55 55 ARG C C 55 174.511 174.511 173.697 0.814 25104 15753 1 18 . 1 1 55 55 ARG CA C 55 54.913 54.913 54.940 -0.027 25104 15754 1 18 . 1 1 55 55 ARG CB C 55 33.805 33.805 32.044 1.761 25104 15755 1 18 . 1 1 55 55 ARG H H 55 7.089 7.089 7.296 -0.207 25104 15756 1 18 . 1 1 56 56 ILE N N 56 126.621 126.621 126.806 -0.185 25104 15757 1 18 . 1 1 56 56 ILE HA H 56 4.659 4.659 4.770 -0.111 25104 15758 1 18 . 1 1 56 56 ILE C C 56 174.633 174.633 174.062 0.571 25104 15759 1 18 . 1 1 56 56 ILE CA C 56 61.585 61.585 60.481 1.104 25104 15760 1 18 . 1 1 56 56 ILE CB C 56 41.452 41.452 41.694 -0.242 25104 15761 1 18 . 1 1 56 56 ILE H H 56 9.201 9.201 8.700 0.501 25104 15762 1 18 . 1 1 57 57 ILE N N 57 127.965 127.965 126.597 1.368 25104 15763 1 18 . 1 1 57 57 ILE HA H 57 5.248 5.248 5.159 0.089 25104 15764 1 18 . 1 1 57 57 ILE CA C 57 57.685 57.685 57.603 0.082 25104 15765 1 18 . 1 1 57 57 ILE CB C 57 40.236 40.236 40.461 -0.225 25104 15766 1 18 . 1 1 57 57 ILE H H 57 8.753 8.753 8.777 -0.024 25104 15767 1 18 . 1 1 58 58 PRO HA H 58 4.382 4.382 4.363 0.019 25104 15768 1 18 . 1 1 58 58 PRO C C 58 178.669 178.669 177.558 1.111 25104 15769 1 18 . 1 1 58 58 PRO CA C 58 63.086 63.086 63.533 -0.447 25104 15770 1 18 . 1 1 58 58 PRO CB C 58 31.996 31.996 31.479 0.517 25104 15771 1 18 . 1 1 59 59 GLY N N 59 114.176 114.176 113.075 1.101 25104 15772 1 18 . 1 1 59 59 GLY C C 59 173.281 173.281 173.602 -0.321 25104 15773 1 18 . 1 1 59 59 GLY CA C 59 45.259 45.259 45.749 -0.490 25104 15774 1 18 . 1 1 59 59 GLY H H 59 9.752 9.752 8.846 0.906 25104 15775 1 18 . 1 1 60 60 PHE N N 60 119.241 119.241 118.766 0.475 25104 15776 1 18 . 1 1 60 60 PHE HA H 60 5.153 5.153 5.041 0.112 25104 15777 1 18 . 1 1 60 60 PHE C C 60 174.401 174.401 173.240 1.161 25104 15778 1 18 . 1 1 60 60 PHE CA C 60 56.867 56.867 57.918 -1.051 25104 15779 1 18 . 1 1 60 60 PHE CB C 60 39.954 39.954 41.478 -1.524 25104 15780 1 18 . 1 1 60 60 PHE H H 60 8.196 8.196 7.680 0.516 25104 15781 1 18 . 1 1 61 61 MET N N 61 111.262 111.262 113.325 -2.063 25104 15782 1 18 . 1 1 61 61 MET HA H 61 5.369 5.369 5.115 0.254 25104 15783 1 18 . 1 1 61 61 MET C C 61 175.163 175.163 173.277 1.886 25104 15784 1 18 . 1 1 61 61 MET CA C 61 55.062 55.062 55.006 0.056 25104 15785 1 18 . 1 1 61 61 MET CB C 61 35.010 35.010 36.456 -1.446 25104 15786 1 18 . 1 1 61 61 MET H H 61 8.128 8.128 8.184 -0.056 25104 15787 1 18 . 1 1 62 62 CYS N N 62 114.848 114.848 117.915 -3.067 25104 15788 1 18 . 1 1 62 62 CYS HA H 62 4.941 4.941 4.999 -0.058 25104 15789 1 18 . 1 1 62 62 CYS C C 62 174.075 174.075 174.021 0.054 25104 15790 1 18 . 1 1 62 62 CYS CA C 62 57.485 57.485 57.090 0.395 25104 15791 1 18 . 1 1 62 62 CYS CB C 62 30.392 30.392 29.182 1.210 25104 15792 1 18 . 1 1 62 62 CYS H H 62 8.501 8.501 8.804 -0.303 25104 15793 1 18 . 1 1 63 63 GLN N N 63 126.854 126.854 126.924 -0.070 25104 15794 1 18 . 1 1 63 63 GLN HA H 63 5.410 5.410 4.807 0.603 25104 15795 1 18 . 1 1 63 63 GLN C C 63 175.024 175.024 174.780 0.244 25104 15796 1 18 . 1 1 63 63 GLN CA C 63 54.691 54.691 54.305 0.386 25104 15797 1 18 . 1 1 63 63 GLN CB C 63 30.529 30.529 31.385 -0.856 25104 15798 1 18 . 1 1 63 63 GLN H H 63 9.671 9.671 8.907 0.764 25104 15799 1 18 . 1 1 64 64 GLY N N 64 110.745 110.745 112.279 -1.534 25104 15800 1 18 . 1 1 64 64 GLY C C 64 174.113 174.113 172.073 2.040 25104 15801 1 18 . 1 1 64 64 GLY CA C 64 44.788 44.788 42.622 2.166 25104 15802 1 18 . 1 1 64 64 GLY H H 64 7.401 7.401 8.025 -0.624 25104 15803 1 18 . 1 1 65 65 GLY N N 65 105.815 105.815 105.215 0.600 25104 15804 1 18 . 1 1 65 65 GLY C C 65 176.175 176.175 172.031 4.144 25104 15805 1 18 . 1 1 65 65 GLY CA C 65 46.659 46.659 45.236 1.423 25104 15806 1 18 . 1 1 65 65 GLY H H 65 9.265 9.265 7.316 1.949 25104 15807 1 18 . 1 1 66 66 ASP N N 66 123.911 123.911 121.941 1.970 25104 15808 1 18 . 1 1 66 66 ASP HA H 66 4.337 4.337 4.798 -0.461 25104 15809 1 18 . 1 1 66 66 ASP C C 66 177.105 177.105 176.877 0.228 25104 15810 1 18 . 1 1 66 66 ASP CA C 66 51.592 51.592 52.650 -1.058 25104 15811 1 18 . 1 1 66 66 ASP CB C 66 38.926 38.926 43.200 -4.274 25104 15812 1 18 . 1 1 66 66 ASP H H 66 9.950 9.950 7.876 2.074 25104 15813 1 18 . 1 1 67 67 PHE N N 67 116.285 116.285 120.794 -4.509 25104 15814 1 18 . 1 1 67 67 PHE HA H 67 4.655 4.655 4.505 0.150 25104 15815 1 18 . 1 1 67 67 PHE C C 67 175.240 175.240 175.547 -0.307 25104 15816 1 18 . 1 1 67 67 PHE CA C 67 55.683 55.683 60.253 -4.570 25104 15817 1 18 . 1 1 67 67 PHE CB C 67 39.480 39.480 40.031 -0.551 25104 15818 1 18 . 1 1 67 67 PHE H H 67 6.660 6.660 8.729 -2.069 25104 15819 1 18 . 1 1 68 68 THR N N 68 109.280 109.280 117.218 -7.938 25104 15820 1 18 . 1 1 68 68 THR HA H 68 4.692 4.692 4.158 0.534 25104 15821 1 18 . 1 1 68 68 THR C C 68 176.514 176.514 174.055 2.459 25104 15822 1 18 . 1 1 68 68 THR CA C 68 61.962 61.962 63.913 -1.951 25104 15823 1 18 . 1 1 68 68 THR CB C 68 68.922 68.922 68.824 0.098 25104 15824 1 18 . 1 1 68 68 THR H H 68 7.400 7.400 8.033 -0.633 25104 15825 1 18 . 1 1 69 69 ARG N N 69 122.125 122.125 125.537 -3.412 25104 15826 1 18 . 1 1 69 69 ARG HA H 69 4.421 4.421 3.847 0.574 25104 15827 1 18 . 1 1 69 69 ARG CA C 69 55.265 55.265 56.801 -1.536 25104 15828 1 18 . 1 1 69 69 ARG CB C 69 31.727 31.727 29.275 2.452 25104 15829 1 18 . 1 1 69 69 ARG H H 69 8.719 8.719 8.682 0.037 25104 15830 1 18 . 1 1 70 70 HIS N N 70 111.574 111.574 121.183 -9.609 25104 15831 1 18 . 1 1 70 70 HIS HA H 70 4.451 4.451 4.355 0.096 25104 15832 1 18 . 1 1 70 70 HIS C C 70 175.306 175.306 175.154 0.152 25104 15833 1 18 . 1 1 70 70 HIS CA C 70 57.193 57.193 57.521 -0.328 25104 15834 1 18 . 1 1 70 70 HIS CB C 70 28.587 28.587 30.066 -1.479 25104 15835 1 18 . 1 1 70 70 HIS H H 70 6.865 6.865 8.523 -1.658 25104 15836 1 18 . 1 1 71 71 ASN N N 71 112.710 112.710 119.009 -6.299 25104 15837 1 18 . 1 1 71 71 ASN HA H 71 4.673 4.673 4.484 0.189 25104 15838 1 18 . 1 1 71 71 ASN C C 71 176.752 176.752 175.986 0.766 25104 15839 1 18 . 1 1 71 71 ASN CA C 71 52.366 52.366 54.375 -2.009 25104 15840 1 18 . 1 1 71 71 ASN CB C 71 39.036 39.036 37.193 1.843 25104 15841 1 18 . 1 1 71 71 ASN H H 71 7.594 7.594 8.216 -0.622 25104 15842 1 18 . 1 1 72 72 GLY N N 72 110.452 110.452 113.066 -2.614 25104 15843 1 18 . 1 1 72 72 GLY C C 72 176.669 176.669 174.307 2.362 25104 15844 1 18 . 1 1 72 72 GLY CA C 72 44.887 44.887 45.962 -1.075 25104 15845 1 18 . 1 1 72 72 GLY H H 72 9.642 9.642 8.357 1.285 25104 15846 1 18 . 1 1 73 73 THR N N 73 112.024 112.024 115.013 -2.989 25104 15847 1 18 . 1 1 73 73 THR HA H 73 4.541 4.541 4.350 0.191 25104 15848 1 18 . 1 1 73 73 THR C C 73 176.905 176.905 173.783 3.122 25104 15849 1 18 . 1 1 73 73 THR CA C 73 62.235 62.235 62.616 -0.381 25104 15850 1 18 . 1 1 73 73 THR CB C 73 70.677 70.677 71.284 -0.607 25104 15851 1 18 . 1 1 73 73 THR H H 73 7.967 7.967 7.326 0.641 25104 15852 1 18 . 1 1 74 74 GLY N N 74 113.872 113.872 111.596 2.276 25104 15853 1 18 . 1 1 74 74 GLY C C 74 176.149 176.149 174.207 1.942 25104 15854 1 18 . 1 1 74 74 GLY CA C 74 45.126 45.126 45.826 -0.700 25104 15855 1 18 . 1 1 74 74 GLY H H 74 8.711 8.711 8.255 0.456 25104 15856 1 18 . 1 1 75 75 GLY N N 75 109.032 109.032 106.535 2.497 25104 15857 1 18 . 1 1 75 75 GLY C C 75 173.012 173.012 173.672 -0.660 25104 15858 1 18 . 1 1 75 75 GLY CA C 75 43.371 43.371 44.414 -1.043 25104 15859 1 18 . 1 1 75 75 GLY H H 75 8.117 8.117 7.677 0.440 25104 15860 1 18 . 1 1 76 76 LYS N N 76 115.705 115.705 119.915 -4.210 25104 15861 1 18 . 1 1 76 76 LYS HA H 76 4.623 4.623 4.582 0.041 25104 15862 1 18 . 1 1 76 76 LYS C C 76 173.512 173.512 176.299 -2.787 25104 15863 1 18 . 1 1 76 76 LYS CA C 76 55.975 55.975 55.989 -0.014 25104 15864 1 18 . 1 1 76 76 LYS CB C 76 34.648 34.648 33.166 1.482 25104 15865 1 18 . 1 1 76 76 LYS H H 76 7.034 7.034 7.834 -0.800 25104 15866 1 18 . 1 1 77 77 SER N N 77 114.354 114.354 115.301 -0.947 25104 15867 1 18 . 1 1 77 77 SER HA H 77 5.240 5.240 4.847 0.393 25104 15868 1 18 . 1 1 77 77 SER C C 77 176.746 176.746 175.898 0.848 25104 15869 1 18 . 1 1 77 77 SER CA C 77 57.077 57.077 56.667 0.410 25104 15870 1 18 . 1 1 77 77 SER CB C 77 69.863 69.863 66.562 3.301 25104 15871 1 18 . 1 1 77 77 SER H H 77 7.793 7.793 8.232 -0.439 25104 15872 1 18 . 1 1 78 78 ILE N N 78 111.394 111.394 115.570 -4.176 25104 15873 1 18 . 1 1 78 78 ILE HA H 78 4.208 4.208 4.374 -0.166 25104 15874 1 18 . 1 1 78 78 ILE C C 78 176.973 176.973 175.453 1.520 25104 15875 1 18 . 1 1 78 78 ILE CA C 78 63.675 63.675 63.306 0.369 25104 15876 1 18 . 1 1 78 78 ILE CB C 78 37.434 37.434 38.156 -0.722 25104 15877 1 18 . 1 1 78 78 ILE H H 78 8.584 8.584 8.561 0.023 25104 15878 1 18 . 1 1 79 79 TYR N N 79 120.757 120.757 120.735 0.022 25104 15879 1 18 . 1 1 79 79 TYR HA H 79 4.718 4.718 4.562 0.156 25104 15880 1 18 . 1 1 79 79 TYR C C 79 176.316 176.316 176.392 -0.076 25104 15881 1 18 . 1 1 79 79 TYR CA C 79 56.216 56.216 58.149 -1.933 25104 15882 1 18 . 1 1 79 79 TYR CB C 79 38.891 38.891 37.228 1.663 25104 15883 1 18 . 1 1 79 79 TYR H H 79 8.058 8.058 7.666 0.392 25104 15884 1 18 . 1 1 80 80 GLY N N 80 106.521 106.521 109.018 -2.497 25104 15885 1 18 . 1 1 80 80 GLY CA C 80 46.021 46.021 46.572 -0.550 25104 15886 1 18 . 1 1 80 80 GLY H H 80 7.152 7.152 7.708 -0.556 25104 15887 1 18 . 1 1 81 81 GLU N N 81 122.638 122.638 125.976 -3.338 25104 15888 1 18 . 1 1 81 81 GLU HA H 81 4.008 4.008 4.227 -0.219 25104 15889 1 18 . 1 1 81 81 GLU C C 81 176.729 176.729 176.704 0.025 25104 15890 1 18 . 1 1 81 81 GLU CA C 81 60.602 60.602 58.155 2.447 25104 15891 1 18 . 1 1 81 81 GLU CB C 81 29.927 29.927 30.391 -0.464 25104 15892 1 18 . 1 1 81 81 GLU H H 81 8.884 8.884 8.522 0.362 25104 15893 1 18 . 1 1 82 82 LYS N N 82 112.369 112.369 114.562 -2.193 25104 15894 1 18 . 1 1 82 82 LYS HA H 82 5.577 5.577 4.655 0.922 25104 15895 1 18 . 1 1 82 82 LYS C C 82 176.495 176.495 174.815 1.680 25104 15896 1 18 . 1 1 82 82 LYS CA C 82 53.906 53.906 55.539 -1.633 25104 15897 1 18 . 1 1 82 82 LYS CB C 82 36.614 36.614 35.105 1.509 25104 15898 1 18 . 1 1 82 82 LYS H H 82 7.845 7.845 7.496 0.349 25104 15899 1 18 . 1 1 83 83 PHE N N 83 116.638 116.638 113.804 2.834 25104 15900 1 18 . 1 1 83 83 PHE HA H 83 5.000 5.000 4.945 0.055 25104 15901 1 18 . 1 1 83 83 PHE C C 83 174.501 174.501 173.041 1.460 25104 15902 1 18 . 1 1 83 83 PHE CA C 83 56.032 56.032 56.237 -0.205 25104 15903 1 18 . 1 1 83 83 PHE CB C 83 41.258 41.258 41.769 -0.511 25104 15904 1 18 . 1 1 83 83 PHE H H 83 9.184 9.184 8.820 0.364 25104 15905 1 18 . 1 1 84 84 GLU N N 84 119.642 119.642 119.024 0.618 25104 15906 1 18 . 1 1 84 84 GLU HA H 84 3.862 3.862 4.438 -0.576 25104 15907 1 18 . 1 1 84 84 GLU C C 84 177.248 177.248 175.063 2.185 25104 15908 1 18 . 1 1 84 84 GLU CA C 84 56.452 56.452 54.063 2.389 25104 15909 1 18 . 1 1 84 84 GLU CB C 84 29.329 29.329 31.641 -2.312 25104 15910 1 18 . 1 1 84 84 GLU H H 84 9.294 9.294 8.345 0.949 25104 15911 1 18 . 1 1 85 85 ASP N N 85 118.870 118.870 121.036 -2.166 25104 15912 1 18 . 1 1 85 85 ASP HA H 85 4.285 4.285 4.634 -0.349 25104 15913 1 18 . 1 1 85 85 ASP C C 85 177.100 177.100 176.792 0.308 25104 15914 1 18 . 1 1 85 85 ASP CA C 85 54.486 54.486 55.312 -0.826 25104 15915 1 18 . 1 1 85 85 ASP CB C 85 40.954 40.954 40.726 0.228 25104 15916 1 18 . 1 1 85 85 ASP H H 85 8.609 8.609 8.444 0.165 25104 15917 1 18 . 1 1 86 86 GLU N N 86 131.636 131.636 125.390 6.246 25104 15918 1 18 . 1 1 86 86 GLU HA H 86 3.851 3.851 4.139 -0.288 25104 15919 1 18 . 1 1 86 86 GLU C C 86 177.266 177.266 175.696 1.570 25104 15920 1 18 . 1 1 86 86 GLU CA C 86 60.354 60.354 58.645 1.709 25104 15921 1 18 . 1 1 86 86 GLU CB C 86 31.877 31.877 30.451 1.426 25104 15922 1 18 . 1 1 86 86 GLU H H 86 9.474 9.474 8.701 0.773 25104 15923 1 18 . 1 1 87 87 ASN N N 87 106.916 106.916 113.509 -6.593 25104 15924 1 18 . 1 1 87 87 ASN HA H 87 4.187 4.187 4.648 -0.461 25104 15925 1 18 . 1 1 87 87 ASN C C 87 171.751 171.751 173.585 -1.834 25104 15926 1 18 . 1 1 87 87 ASN CA C 87 52.828 52.828 51.982 0.846 25104 15927 1 18 . 1 1 87 87 ASN CB C 87 39.490 39.490 38.910 0.580 25104 15928 1 18 . 1 1 87 87 ASN H H 87 7.084 7.084 7.662 -0.578 25104 15929 1 18 . 1 1 88 88 PHE N N 88 113.116 113.116 121.619 -8.503 25104 15930 1 18 . 1 1 88 88 PHE HA H 88 5.964 5.964 4.742 1.222 25104 15931 1 18 . 1 1 88 88 PHE C C 88 178.688 178.688 175.392 3.296 25104 15932 1 18 . 1 1 88 88 PHE CA C 88 55.847 55.847 57.792 -1.945 25104 15933 1 18 . 1 1 88 88 PHE CB C 88 38.876 38.876 37.111 1.764 25104 15934 1 18 . 1 1 88 88 PHE H H 88 8.356 8.356 8.800 -0.444 25104 15935 1 18 . 1 1 89 89 ILE N N 89 119.794 119.794 120.969 -1.175 25104 15936 1 18 . 1 1 89 89 ILE HA H 89 3.726 3.726 4.069 -0.343 25104 15937 1 18 . 1 1 89 89 ILE C C 89 178.596 178.596 175.700 2.896 25104 15938 1 18 . 1 1 89 89 ILE CA C 89 64.996 64.996 63.014 1.982 25104 15939 1 18 . 1 1 89 89 ILE CB C 89 39.000 39.000 38.856 0.144 25104 15940 1 18 . 1 1 89 89 ILE H H 89 8.314 8.314 7.682 0.632 25104 15941 1 18 . 1 1 90 90 LEU N N 90 117.361 117.361 119.384 -2.023 25104 15942 1 18 . 1 1 90 90 LEU HA H 90 4.516 4.516 4.264 0.252 25104 15943 1 18 . 1 1 90 90 LEU C C 90 177.345 177.345 175.999 1.346 25104 15944 1 18 . 1 1 90 90 LEU CA C 90 54.196 54.196 54.616 -0.420 25104 15945 1 18 . 1 1 90 90 LEU CB C 90 42.100 42.100 41.808 0.292 25104 15946 1 18 . 1 1 90 90 LEU H H 90 7.777 7.777 8.190 -0.413 25104 15947 1 18 . 1 1 91 91 LYS N N 91 119.096 119.096 121.794 -2.698 25104 15948 1 18 . 1 1 91 91 LYS HA H 91 4.635 4.635 4.602 0.033 25104 15949 1 18 . 1 1 91 91 LYS C C 91 177.296 177.296 176.375 0.921 25104 15950 1 18 . 1 1 91 91 LYS CA C 91 54.689 54.689 55.124 -0.435 25104 15951 1 18 . 1 1 91 91 LYS CB C 91 34.841 34.841 35.884 -1.043 25104 15952 1 18 . 1 1 91 91 LYS H H 91 8.086 8.086 8.292 -0.206 25104 15953 1 18 . 1 1 92 92 HIS N N 92 122.578 122.578 120.647 1.931 25104 15954 1 18 . 1 1 92 92 HIS HA H 92 4.408 4.408 4.737 -0.329 25104 15955 1 18 . 1 1 92 92 HIS C C 92 178.794 178.794 175.511 3.283 25104 15956 1 18 . 1 1 92 92 HIS CA C 92 56.886 56.886 55.623 1.264 25104 15957 1 18 . 1 1 92 92 HIS CB C 92 26.041 26.041 28.124 -2.083 25104 15958 1 18 . 1 1 92 92 HIS H H 92 10.736 10.736 9.026 1.710 25104 15959 1 18 . 1 1 93 93 THR N N 93 110.479 110.479 111.821 -1.342 25104 15960 1 18 . 1 1 93 93 THR HA H 93 4.056 4.056 4.073 -0.017 25104 15961 1 18 . 1 1 93 93 THR C C 93 176.456 176.456 174.344 2.112 25104 15962 1 18 . 1 1 93 93 THR CA C 93 63.324 63.324 64.724 -1.400 25104 15963 1 18 . 1 1 93 93 THR CB C 93 69.416 69.416 69.283 0.133 25104 15964 1 18 . 1 1 93 93 THR H H 93 7.315 7.315 7.620 -0.305 25104 15965 1 18 . 1 1 94 94 GLY N N 94 107.272 107.272 108.123 -0.851 25104 15966 1 18 . 1 1 94 94 GLY C C 94 178.117 178.117 172.319 5.798 25104 15967 1 18 . 1 1 94 94 GLY H H 94 7.530 7.530 7.701 -0.171 25104 15968 1 18 . 1 1 95 95 PRO HA H 95 3.856 3.856 4.547 -0.691 25104 15969 1 18 . 1 1 95 95 PRO CA C 95 62.687 62.687 62.346 0.341 25104 15970 1 18 . 1 1 95 95 PRO CB C 95 32.137 32.137 32.879 -0.742 25104 15971 1 18 . 1 1 96 96 GLY N N 96 110.210 110.210 110.141 0.069 25104 15972 1 18 . 1 1 96 96 GLY C C 96 174.025 174.025 175.066 -1.041 25104 15973 1 18 . 1 1 96 96 GLY CA C 96 45.068 45.068 45.213 -0.145 25104 15974 1 18 . 1 1 96 96 GLY H H 96 9.305 9.305 8.783 0.522 25104 15975 1 18 . 1 1 97 97 ILE N N 97 121.517 121.517 122.926 -1.409 25104 15976 1 18 . 1 1 97 97 ILE HA H 97 4.173 4.173 3.938 0.235 25104 15977 1 18 . 1 1 97 97 ILE C C 97 174.196 174.196 174.467 -0.271 25104 15978 1 18 . 1 1 97 97 ILE CA C 97 59.398 59.398 60.878 -1.480 25104 15979 1 18 . 1 1 97 97 ILE CB C 97 37.922 37.922 35.806 2.116 25104 15980 1 18 . 1 1 97 97 ILE H H 97 6.826 6.826 7.554 -0.728 25104 15981 1 18 . 1 1 98 98 LEU N N 98 128.948 128.948 130.829 -1.881 25104 15982 1 18 . 1 1 98 98 LEU HA H 98 5.010 5.010 4.880 0.130 25104 15983 1 18 . 1 1 98 98 LEU C C 98 175.316 175.316 174.516 0.800 25104 15984 1 18 . 1 1 98 98 LEU CA C 98 53.350 53.350 53.247 0.103 25104 15985 1 18 . 1 1 98 98 LEU CB C 98 43.813 43.813 43.398 0.415 25104 15986 1 18 . 1 1 98 98 LEU H H 98 7.907 7.907 8.075 -0.168 25104 15987 1 18 . 1 1 99 99 SER N N 99 118.834 118.834 120.235 -1.401 25104 15988 1 18 . 1 1 99 99 SER HA H 99 5.346 5.346 4.998 0.348 25104 15989 1 18 . 1 1 99 99 SER C C 99 175.732 175.732 172.612 3.120 25104 15990 1 18 . 1 1 99 99 SER CA C 99 55.011 55.011 55.849 -0.838 25104 15991 1 18 . 1 1 99 99 SER CB C 99 65.370 65.370 65.685 -0.315 25104 15992 1 18 . 1 1 99 99 SER H H 99 8.307 8.307 8.360 -0.053 25104 15993 1 18 . 1 1 100 100 MET N N 100 123.079 123.079 121.785 1.294 25104 15994 1 18 . 1 1 100 100 MET HA H 100 5.338 5.338 4.847 0.491 25104 15995 1 18 . 1 1 100 100 MET C C 100 178.920 178.920 174.995 3.925 25104 15996 1 18 . 1 1 100 100 MET CA C 100 53.853 53.853 54.990 -1.137 25104 15997 1 18 . 1 1 100 100 MET H H 100 8.563 8.563 8.792 -0.229 25104 15998 1 18 . 1 1 101 101 ALA N N 101 126.225 126.225 123.219 3.006 25104 15999 1 18 . 1 1 101 101 ALA HA H 101 4.362 4.362 4.631 -0.269 25104 16000 1 18 . 1 1 101 101 ALA C C 101 176.471 176.471 176.134 0.337 25104 16001 1 18 . 1 1 101 101 ALA CA C 101 51.743 51.743 51.456 0.287 25104 16002 1 18 . 1 1 101 101 ALA CB C 101 19.619 19.619 20.812 -1.193 25104 16003 1 18 . 1 1 101 101 ALA H H 101 8.114 8.114 8.223 -0.109 25104 16004 1 18 . 1 1 102 102 ASN N N 102 113.398 113.398 115.425 -2.027 25104 16005 1 18 . 1 1 102 102 ASN HA H 102 4.647 4.647 4.645 0.002 25104 16006 1 18 . 1 1 102 102 ASN C C 102 174.740 174.740 173.994 0.746 25104 16007 1 18 . 1 1 102 102 ASN CA C 102 54.102 54.102 52.549 1.553 25104 16008 1 18 . 1 1 102 102 ASN CB C 102 40.597 40.597 39.425 1.173 25104 16009 1 18 . 1 1 102 102 ASN H H 102 8.062 8.062 7.791 0.271 25104 16010 1 18 . 1 1 103 103 ALA N N 103 123.487 123.487 122.144 1.343 25104 16011 1 18 . 1 1 103 103 ALA HA H 103 4.868 4.868 4.396 0.472 25104 16012 1 18 . 1 1 103 103 ALA C C 103 177.823 177.823 176.491 1.332 25104 16013 1 18 . 1 1 103 103 ALA CA C 103 50.380 50.380 52.446 -2.066 25104 16014 1 18 . 1 1 103 103 ALA CB C 103 19.295 19.295 19.769 -0.474 25104 16015 1 18 . 1 1 103 103 ALA H H 103 8.822 8.822 8.681 0.141 25104 16016 1 18 . 1 1 104 104 GLY N N 104 109.271 109.271 106.533 2.738 25104 16017 1 18 . 1 1 104 104 GLY CA C 104 43.559 43.559 44.791 -1.232 25104 16018 1 18 . 1 1 104 104 GLY H H 104 8.181 8.181 7.655 0.526 25104 16019 1 18 . 1 1 105 105 PRO HA H 105 4.385 4.385 4.587 -0.202 25104 16020 1 18 . 1 1 105 105 PRO C C 105 177.209 177.209 177.116 0.093 25104 16021 1 18 . 1 1 105 105 PRO CA C 105 63.976 63.976 63.475 0.501 25104 16022 1 18 . 1 1 105 105 PRO CB C 105 32.136 32.136 31.987 0.149 25104 16023 1 18 . 1 1 106 106 ASN N N 106 119.146 119.146 117.888 1.258 25104 16024 1 18 . 1 1 106 106 ASN HA H 106 4.052 4.052 4.616 -0.564 25104 16025 1 18 . 1 1 106 106 ASN C C 106 175.857 175.857 174.866 0.991 25104 16026 1 18 . 1 1 106 106 ASN CA C 106 54.279 54.279 54.737 -0.458 25104 16027 1 18 . 1 1 106 106 ASN CB C 106 37.248 37.248 38.332 -1.084 25104 16028 1 18 . 1 1 106 106 ASN H H 106 8.912 8.912 8.981 -0.069 25104 16029 1 18 . 1 1 107 107 THR N N 107 110.101 110.101 112.036 -1.935 25104 16030 1 18 . 1 1 107 107 THR HA H 107 4.493 4.493 4.280 0.213 25104 16031 1 18 . 1 1 107 107 THR C C 107 174.713 174.713 173.678 1.035 25104 16032 1 18 . 1 1 107 107 THR CA C 107 60.294 60.294 62.703 -2.409 25104 16033 1 18 . 1 1 107 107 THR CB C 107 69.030 69.030 69.380 -0.350 25104 16034 1 18 . 1 1 107 107 THR H H 107 10.191 10.191 7.704 2.487 25104 16035 1 18 . 1 1 108 108 ASN N N 108 120.592 120.592 119.069 1.523 25104 16036 1 18 . 1 1 108 108 ASN HA H 108 4.210 4.210 4.520 -0.310 25104 16037 1 18 . 1 1 108 108 ASN C C 108 175.078 175.078 175.323 -0.245 25104 16038 1 18 . 1 1 108 108 ASN CA C 108 55.287 55.287 52.854 2.433 25104 16039 1 18 . 1 1 108 108 ASN CB C 108 39.036 39.036 39.371 -0.335 25104 16040 1 18 . 1 1 108 108 ASN H H 108 7.410 7.410 7.380 0.030 25104 16041 1 18 . 1 1 109 109 GLY N N 109 110.835 110.835 108.624 2.211 25104 16042 1 18 . 1 1 109 109 GLY C C 109 172.087 172.087 173.863 -1.776 25104 16043 1 18 . 1 1 109 109 GLY CA C 109 45.940 45.940 45.067 0.873 25104 16044 1 18 . 1 1 109 109 GLY H H 109 9.192 9.192 7.973 1.219 25104 16045 1 18 . 1 1 110 110 SER N N 110 117.149 117.149 118.420 -1.271 25104 16046 1 18 . 1 1 110 110 SER HA H 110 4.751 4.751 4.926 -0.175 25104 16047 1 18 . 1 1 110 110 SER C C 110 177.075 177.075 174.426 2.649 25104 16048 1 18 . 1 1 110 110 SER CA C 110 57.526 57.526 56.911 0.615 25104 16049 1 18 . 1 1 110 110 SER CB C 110 66.180 66.180 63.618 2.562 25104 16050 1 18 . 1 1 110 110 SER H H 110 8.793 8.793 7.463 1.330 25104 16051 1 18 . 1 1 111 111 GLN N N 111 124.594 124.594 120.817 3.777 25104 16052 1 18 . 1 1 111 111 GLN HA H 111 4.225 4.225 3.953 0.272 25104 16053 1 18 . 1 1 111 111 GLN C C 111 179.174 179.174 174.995 4.179 25104 16054 1 18 . 1 1 111 111 GLN CA C 111 58.144 58.144 57.436 0.708 25104 16055 1 18 . 1 1 111 111 GLN CB C 111 31.558 31.558 28.394 3.164 25104 16056 1 18 . 1 1 111 111 GLN H H 111 8.438 8.438 8.099 0.339 25104 16057 1 18 . 1 1 112 112 PHE N N 112 118.008 118.008 114.324 3.684 25104 16058 1 18 . 1 1 112 112 PHE HA H 112 5.806 5.806 5.351 0.455 25104 16059 1 18 . 1 1 112 112 PHE C C 112 172.840 172.840 173.393 -0.553 25104 16060 1 18 . 1 1 112 112 PHE CA C 112 55.584 55.584 55.702 -0.118 25104 16061 1 18 . 1 1 112 112 PHE CB C 112 43.323 43.323 42.031 1.292 25104 16062 1 18 . 1 1 112 112 PHE H H 112 8.120 8.120 8.010 0.110 25104 16063 1 18 . 1 1 113 113 PHE N N 113 116.406 116.406 117.756 -1.350 25104 16064 1 18 . 1 1 113 113 PHE HA H 113 5.739 5.739 5.180 0.559 25104 16065 1 18 . 1 1 113 113 PHE C C 113 175.349 175.349 173.734 1.615 25104 16066 1 18 . 1 1 113 113 PHE CA C 113 54.684 54.684 54.916 -0.232 25104 16067 1 18 . 1 1 113 113 PHE CB C 113 42.825 42.825 41.791 1.034 25104 16068 1 18 . 1 1 113 113 PHE H H 113 9.832 9.832 8.843 0.989 25104 16069 1 18 . 1 1 114 114 ILE N N 114 118.683 118.683 121.764 -3.081 25104 16070 1 18 . 1 1 114 114 ILE HA H 114 4.842 4.842 4.865 -0.023 25104 16071 1 18 . 1 1 114 114 ILE C C 114 178.414 178.414 176.211 2.203 25104 16072 1 18 . 1 1 114 114 ILE CA C 114 60.265 60.265 59.753 0.512 25104 16073 1 18 . 1 1 114 114 ILE CB C 114 40.466 40.466 39.277 1.189 25104 16074 1 18 . 1 1 114 114 ILE H H 114 9.156 9.156 8.746 0.410 25104 16075 1 18 . 1 1 115 115 CYS N N 115 125.524 125.524 128.683 -3.159 25104 16076 1 18 . 1 1 115 115 CYS HA H 115 4.808 4.808 4.598 0.210 25104 16077 1 18 . 1 1 115 115 CYS C C 115 177.658 177.658 176.326 1.332 25104 16078 1 18 . 1 1 115 115 CYS CA C 115 60.803 60.803 58.771 2.032 25104 16079 1 18 . 1 1 115 115 CYS CB C 115 28.723 28.723 25.231 3.492 25104 16080 1 18 . 1 1 115 115 CYS H H 115 9.616 9.616 8.981 0.635 25104 16081 1 18 . 1 1 116 116 THR N N 116 115.801 115.801 118.687 -2.886 25104 16082 1 18 . 1 1 116 116 THR HA H 116 4.380 4.380 4.223 0.157 25104 16083 1 18 . 1 1 116 116 THR C C 116 178.496 178.496 174.798 3.698 25104 16084 1 18 . 1 1 116 116 THR CA C 116 60.844 60.844 63.826 -2.982 25104 16085 1 18 . 1 1 116 116 THR CB C 116 66.730 66.730 69.076 -2.346 25104 16086 1 18 . 1 1 116 116 THR H H 116 8.990 8.990 8.383 0.607 25104 16087 1 18 . 1 1 117 117 ALA N N 117 122.356 122.356 125.179 -2.823 25104 16088 1 18 . 1 1 117 117 ALA HA H 117 4.420 4.420 4.676 -0.256 25104 16089 1 18 . 1 1 117 117 ALA C C 117 176.114 176.114 176.256 -0.142 25104 16090 1 18 . 1 1 117 117 ALA CA C 117 50.668 50.668 50.617 0.051 25104 16091 1 18 . 1 1 117 117 ALA CB C 117 22.795 22.795 21.099 1.696 25104 16092 1 18 . 1 1 117 117 ALA H H 117 7.641 7.641 7.634 0.007 25104 16093 1 18 . 1 1 118 118 LYS N N 118 119.855 119.855 119.400 0.455 25104 16094 1 18 . 1 1 118 118 LYS HA H 118 3.840 3.840 4.282 -0.442 25104 16095 1 18 . 1 1 118 118 LYS C C 118 177.211 177.211 176.805 0.406 25104 16096 1 18 . 1 1 118 118 LYS CA C 118 57.913 57.913 56.534 1.379 25104 16097 1 18 . 1 1 118 118 LYS CB C 118 32.708 32.708 31.024 1.684 25104 16098 1 18 . 1 1 118 118 LYS H H 118 8.693 8.693 8.182 0.511 25104 16099 1 18 . 1 1 119 119 THR N N 119 119.004 119.004 116.676 2.328 25104 16100 1 18 . 1 1 119 119 THR HA H 119 3.730 3.730 3.336 0.394 25104 16101 1 18 . 1 1 119 119 THR C C 119 177.928 177.928 174.359 3.569 25104 16102 1 18 . 1 1 119 119 THR CA C 119 57.301 57.301 59.184 -1.883 25104 16103 1 18 . 1 1 119 119 THR CB C 119 68.717 68.717 68.188 0.529 25104 16104 1 18 . 1 1 119 119 THR H H 119 7.373 7.373 8.150 -0.777 25104 16105 1 18 . 1 1 120 120 GLU N N 120 124.713 124.713 124.360 0.353 25104 16106 1 18 . 1 1 120 120 GLU HA H 120 4.162 4.162 4.074 0.088 25104 16107 1 18 . 1 1 120 120 GLU C C 120 178.190 178.190 177.546 0.644 25104 16108 1 18 . 1 1 120 120 GLU CA C 120 59.334 59.334 58.544 0.790 25104 16109 1 18 . 1 1 120 120 GLU CB C 120 29.322 29.322 29.290 0.032 25104 16110 1 18 . 1 1 120 120 GLU H H 120 9.139 9.139 7.762 1.377 25104 16111 1 18 . 1 1 121 121 TRP N N 121 117.782 117.782 117.412 0.370 25104 16112 1 18 . 1 1 121 121 TRP HA H 121 4.716 4.716 4.558 0.158 25104 16113 1 18 . 1 1 121 121 TRP C C 121 177.244 177.244 176.187 1.057 25104 16114 1 18 . 1 1 121 121 TRP CA C 121 59.748 59.748 56.807 2.941 25104 16115 1 18 . 1 1 121 121 TRP CB C 121 26.947 26.947 28.739 -1.792 25104 16116 1 18 . 1 1 121 121 TRP H H 121 7.297 7.297 7.587 -0.290 25104 16117 1 18 . 1 1 122 122 LEU N N 122 119.806 119.806 119.225 0.581 25104 16118 1 18 . 1 1 122 122 LEU HA H 122 4.315 4.315 4.314 0.001 25104 16119 1 18 . 1 1 122 122 LEU C C 122 173.304 173.304 176.431 -3.127 25104 16120 1 18 . 1 1 122 122 LEU CA C 122 54.543 54.543 53.559 0.983 25104 16121 1 18 . 1 1 122 122 LEU CB C 122 39.075 39.075 40.500 -1.425 25104 16122 1 18 . 1 1 122 122 LEU H H 122 7.037 7.037 6.816 0.221 25104 16123 1 18 . 1 1 123 123 ASP N N 123 122.205 122.205 121.657 0.548 25104 16124 1 18 . 1 1 123 123 ASP HA H 123 5.222 5.222 4.582 0.640 25104 16125 1 18 . 1 1 123 123 ASP C C 123 179.276 179.276 176.962 2.314 25104 16126 1 18 . 1 1 123 123 ASP CA C 123 55.889 55.889 55.994 -0.105 25104 16127 1 18 . 1 1 123 123 ASP CB C 123 39.517 39.517 41.609 -2.092 25104 16128 1 18 . 1 1 123 123 ASP H H 123 7.643 7.643 7.491 0.152 25104 16129 1 18 . 1 1 124 124 GLY N N 124 111.205 111.205 111.163 0.042 25104 16130 1 18 . 1 1 124 124 GLY C C 124 173.148 173.148 174.430 -1.282 25104 16131 1 18 . 1 1 124 124 GLY CA C 124 45.114 45.114 45.190 -0.076 25104 16132 1 18 . 1 1 124 124 GLY H H 124 9.550 9.550 8.655 0.895 25104 16133 1 18 . 1 1 125 125 LYS N N 125 115.408 115.408 120.827 -5.419 25104 16134 1 18 . 1 1 125 125 LYS HA H 125 4.173 4.173 4.046 0.127 25104 16135 1 18 . 1 1 125 125 LYS C C 125 176.351 176.351 176.300 0.051 25104 16136 1 18 . 1 1 125 125 LYS CA C 125 56.341 56.341 55.152 1.189 25104 16137 1 18 . 1 1 125 125 LYS CB C 125 35.504 35.504 33.662 1.842 25104 16138 1 18 . 1 1 125 125 LYS H H 125 7.765 7.765 7.318 0.447 25104 16139 1 18 . 1 1 126 126 HIS N N 126 119.526 119.526 116.797 2.729 25104 16140 1 18 . 1 1 126 126 HIS HA H 126 4.863 4.863 4.929 -0.066 25104 16141 1 18 . 1 1 126 126 HIS C C 126 174.784 174.784 176.416 -1.632 25104 16142 1 18 . 1 1 126 126 HIS CA C 126 54.923 54.923 57.149 -2.226 25104 16143 1 18 . 1 1 126 126 HIS CB C 126 31.675 31.675 30.148 1.527 25104 16144 1 18 . 1 1 126 126 HIS H H 126 7.600 7.600 8.133 -0.533 25104 16145 1 18 . 1 1 127 127 VAL N N 127 125.009 125.009 122.856 2.153 25104 16146 1 18 . 1 1 127 127 VAL HA H 127 4.307 4.307 3.892 0.415 25104 16147 1 18 . 1 1 127 127 VAL C C 127 176.442 176.442 176.768 -0.326 25104 16148 1 18 . 1 1 127 127 VAL CA C 127 63.893 63.893 63.756 0.137 25104 16149 1 18 . 1 1 127 127 VAL CB C 127 33.553 33.553 31.615 1.938 25104 16150 1 18 . 1 1 127 127 VAL H H 127 8.523 8.523 8.486 0.037 25104 16151 1 18 . 1 1 128 128 VAL N N 128 133.065 133.065 127.037 6.028 25104 16152 1 18 . 1 1 128 128 VAL HA H 128 4.176 4.176 3.661 0.515 25104 16153 1 18 . 1 1 128 128 VAL C C 128 176.113 176.113 175.599 0.514 25104 16154 1 18 . 1 1 128 128 VAL CA C 128 63.172 63.172 63.700 -0.528 25104 16155 1 18 . 1 1 128 128 VAL CB C 128 31.612 31.612 31.784 -0.172 25104 16156 1 18 . 1 1 128 128 VAL H H 128 9.474 9.474 7.807 1.667 25104 16157 1 18 . 1 1 129 129 PHE N N 129 117.892 117.892 120.449 -2.557 25104 16158 1 18 . 1 1 129 129 PHE HA H 129 5.308 5.308 4.997 0.311 25104 16159 1 18 . 1 1 129 129 PHE C C 129 173.725 173.725 174.035 -0.310 25104 16160 1 18 . 1 1 129 129 PHE CA C 129 55.969 55.969 56.649 -0.680 25104 16161 1 18 . 1 1 129 129 PHE CB C 129 42.581 42.581 41.005 1.576 25104 16162 1 18 . 1 1 129 129 PHE H H 129 8.138 8.138 8.105 0.033 25104 16163 1 18 . 1 1 130 130 GLY N N 130 110.747 110.747 106.289 4.458 25104 16164 1 18 . 1 1 130 130 GLY C C 130 171.591 171.591 171.850 -0.259 25104 16165 1 18 . 1 1 130 130 GLY CA C 130 46.505 46.505 43.728 2.777 25104 16166 1 18 . 1 1 130 130 GLY H H 130 7.356 7.356 7.337 0.019 25104 16167 1 18 . 1 1 131 131 LYS N N 131 115.453 115.453 120.175 -4.722 25104 16168 1 18 . 1 1 131 131 LYS HA H 131 5.246 5.246 5.144 0.102 25104 16169 1 18 . 1 1 131 131 LYS C C 131 176.109 176.109 175.318 0.791 25104 16170 1 18 . 1 1 131 131 LYS CA C 131 54.887 54.887 55.283 -0.396 25104 16171 1 18 . 1 1 131 131 LYS CB C 131 36.077 36.077 37.145 -1.068 25104 16172 1 18 . 1 1 131 131 LYS H H 131 8.390 8.390 8.058 0.332 25104 16173 1 18 . 1 1 132 132 VAL N N 132 124.311 124.311 126.715 -2.404 25104 16174 1 18 . 1 1 132 132 VAL HA H 132 3.955 3.955 3.973 -0.018 25104 16175 1 18 . 1 1 132 132 VAL C C 132 176.489 176.489 176.313 0.176 25104 16176 1 18 . 1 1 132 132 VAL CA C 132 64.284 64.284 63.691 0.593 25104 16177 1 18 . 1 1 132 132 VAL CB C 132 32.709 32.709 30.771 1.938 25104 16178 1 18 . 1 1 132 132 VAL H H 132 9.071 9.071 8.515 0.556 25104 16179 1 18 . 1 1 133 133 LYS N N 133 131.670 131.670 127.499 4.171 25104 16180 1 18 . 1 1 133 133 LYS HA H 133 4.483 4.483 4.352 0.131 25104 16181 1 18 . 1 1 133 133 LYS C C 133 176.283 176.283 177.054 -0.771 25104 16182 1 18 . 1 1 133 133 LYS CA C 133 56.978 56.978 57.058 -0.080 25104 16183 1 18 . 1 1 133 133 LYS CB C 133 34.028 34.028 33.262 0.766 25104 16184 1 18 . 1 1 133 133 LYS H H 133 9.494 9.494 8.286 1.208 25104 16185 1 18 . 1 1 134 134 GLU N N 134 118.417 118.417 119.623 -1.206 25104 16186 1 18 . 1 1 134 134 GLU HA H 134 4.639 4.639 4.493 0.146 25104 16187 1 18 . 1 1 134 134 GLU C C 134 175.925 175.925 176.390 -0.465 25104 16188 1 18 . 1 1 134 134 GLU CA C 134 55.235 55.235 55.522 -0.287 25104 16189 1 18 . 1 1 134 134 GLU CB C 134 32.909 32.909 31.852 1.057 25104 16190 1 18 . 1 1 134 134 GLU H H 134 7.571 7.571 7.849 -0.278 25104 16191 1 18 . 1 1 135 135 GLY N N 135 108.109 108.109 111.961 -3.852 25104 16192 1 18 . 1 1 135 135 GLY C C 135 178.060 178.060 175.398 2.662 25104 16193 1 18 . 1 1 135 135 GLY CA C 135 46.195 46.195 45.714 0.481 25104 16194 1 18 . 1 1 135 135 GLY H H 135 8.695 8.695 8.840 -0.145 25104 16195 1 18 . 1 1 136 136 MET N N 136 122.582 122.582 118.742 3.840 25104 16196 1 18 . 1 1 136 136 MET HA H 136 4.496 4.496 4.162 0.334 25104 16197 1 18 . 1 1 136 136 MET C C 136 178.649 178.649 176.859 1.790 25104 16198 1 18 . 1 1 136 136 MET CA C 136 56.829 56.829 56.198 0.631 25104 16199 1 18 . 1 1 136 136 MET CB C 136 30.215 30.215 32.299 -2.084 25104 16200 1 18 . 1 1 136 136 MET H H 136 8.854 8.854 8.348 0.506 25104 16201 1 18 . 1 1 137 137 ASN N N 137 114.457 114.457 118.073 -3.616 25104 16202 1 18 . 1 1 137 137 ASN HA H 137 4.504 4.504 4.432 0.072 25104 16203 1 18 . 1 1 137 137 ASN C C 137 178.441 178.441 177.750 0.691 25104 16204 1 18 . 1 1 137 137 ASN CA C 137 55.819 55.819 56.566 -0.747 25104 16205 1 18 . 1 1 137 137 ASN CB C 137 36.016 36.016 37.419 -1.403 25104 16206 1 18 . 1 1 137 137 ASN H H 137 8.932 8.932 8.677 0.255 25104 16207 1 18 . 1 1 138 138 ILE N N 138 124.190 124.190 118.731 5.459 25104 16208 1 18 . 1 1 138 138 ILE HA H 138 3.800 3.800 3.903 -0.103 25104 16209 1 18 . 1 1 138 138 ILE C C 138 178.595 178.595 177.926 0.669 25104 16210 1 18 . 1 1 138 138 ILE CA C 138 61.581 61.581 63.477 -1.896 25104 16211 1 18 . 1 1 138 138 ILE CB C 138 34.468 34.468 36.931 -2.463 25104 16212 1 18 . 1 1 138 138 ILE H H 138 7.686 7.686 7.216 0.470 25104 16213 1 18 . 1 1 139 139 VAL N N 139 121.912 121.912 120.887 1.025 25104 16214 1 18 . 1 1 139 139 VAL HA H 139 3.879 3.879 3.579 0.300 25104 16215 1 18 . 1 1 139 139 VAL C C 139 179.051 179.051 178.152 0.899 25104 16216 1 18 . 1 1 139 139 VAL CA C 139 66.206 66.206 67.454 -1.248 25104 16217 1 18 . 1 1 139 139 VAL CB C 139 31.195 31.195 31.419 -0.224 25104 16218 1 18 . 1 1 139 139 VAL H H 139 7.286 7.286 7.580 -0.294 25104 16219 1 18 . 1 1 140 140 GLU N N 140 117.357 117.357 118.674 -1.317 25104 16220 1 18 . 1 1 140 140 GLU HA H 140 4.095 4.095 4.041 0.054 25104 16221 1 18 . 1 1 140 140 GLU C C 140 180.486 180.486 178.292 2.194 25104 16222 1 18 . 1 1 140 140 GLU CA C 140 59.336 59.336 58.710 0.626 25104 16223 1 18 . 1 1 140 140 GLU CB C 140 30.199 30.199 29.389 0.810 25104 16224 1 18 . 1 1 140 140 GLU H H 140 8.309 8.309 8.000 0.309 25104 16225 1 18 . 1 1 141 141 ALA N N 141 121.133 121.133 122.712 -1.579 25104 16226 1 18 . 1 1 141 141 ALA HA H 141 4.118 4.118 4.129 -0.011 25104 16227 1 18 . 1 1 141 141 ALA C C 141 181.524 181.524 179.540 1.984 25104 16228 1 18 . 1 1 141 141 ALA CA C 141 54.771 54.771 54.860 -0.089 25104 16229 1 18 . 1 1 141 141 ALA CB C 141 18.207 18.207 18.386 -0.178 25104 16230 1 18 . 1 1 141 141 ALA H H 141 7.539 7.539 7.701 -0.162 25104 16231 1 18 . 1 1 142 142 MET N N 142 117.513 117.513 117.568 -0.055 25104 16232 1 18 . 1 1 142 142 MET HA H 142 3.993 3.993 4.346 -0.353 25104 16233 1 18 . 1 1 142 142 MET C C 142 178.862 178.862 178.933 -0.071 25104 16234 1 18 . 1 1 142 142 MET CA C 142 59.678 59.678 58.999 0.679 25104 16235 1 18 . 1 1 142 142 MET CB C 142 33.723 33.723 32.352 1.371 25104 16236 1 18 . 1 1 142 142 MET H H 142 8.284 8.284 8.051 0.233 25104 16237 1 18 . 1 1 143 143 GLU N N 143 116.365 116.365 119.642 -3.277 25104 16238 1 18 . 1 1 143 143 GLU HA H 143 3.772 3.772 4.037 -0.265 25104 16239 1 18 . 1 1 143 143 GLU C C 143 179.051 179.051 179.012 0.039 25104 16240 1 18 . 1 1 143 143 GLU CA C 143 59.345 59.345 59.543 -0.198 25104 16241 1 18 . 1 1 143 143 GLU CB C 143 30.470 30.470 29.404 1.066 25104 16242 1 18 . 1 1 143 143 GLU H H 143 7.853 7.853 8.068 -0.215 25104 16243 1 18 . 1 1 144 144 ARG N N 144 114.753 114.753 116.954 -2.201 25104 16244 1 18 . 1 1 144 144 ARG HA H 144 3.978 3.978 4.103 -0.125 25104 16245 1 18 . 1 1 144 144 ARG C C 144 178.222 178.222 177.494 0.728 25104 16246 1 18 . 1 1 144 144 ARG CA C 144 57.669 57.669 57.795 -0.126 25104 16247 1 18 . 1 1 144 144 ARG CB C 144 29.523 29.523 30.264 -0.740 25104 16248 1 18 . 1 1 144 144 ARG H H 144 7.082 7.082 7.398 -0.316 25104 16249 1 18 . 1 1 145 145 PHE N N 145 115.388 115.388 117.040 -1.652 25104 16250 1 18 . 1 1 145 145 PHE HA H 145 4.851 4.851 4.527 0.324 25104 16251 1 18 . 1 1 145 145 PHE C C 145 176.868 176.868 175.246 1.622 25104 16252 1 18 . 1 1 145 145 PHE CA C 145 57.717 57.717 58.649 -0.932 25104 16253 1 18 . 1 1 145 145 PHE CB C 145 38.998 38.998 38.915 0.083 25104 16254 1 18 . 1 1 145 145 PHE H H 145 7.651 7.651 7.487 0.164 25104 16255 1 18 . 1 1 146 146 GLY N N 146 104.842 104.842 106.597 -1.755 25104 16256 1 18 . 1 1 146 146 GLY C C 146 172.946 172.946 173.188 -0.242 25104 16257 1 18 . 1 1 146 146 GLY CA C 146 44.065 44.065 44.048 0.017 25104 16258 1 18 . 1 1 146 146 GLY H H 146 7.551 7.551 7.480 0.071 25104 16259 1 18 . 1 1 147 147 SER N N 147 110.079 110.079 112.777 -2.698 25104 16260 1 18 . 1 1 147 147 SER HA H 147 4.813 4.813 4.820 -0.007 25104 16261 1 18 . 1 1 147 147 SER C C 147 176.384 176.384 175.844 0.540 25104 16262 1 18 . 1 1 147 147 SER CA C 147 58.165 58.165 55.953 2.212 25104 16263 1 18 . 1 1 147 147 SER CB C 147 65.804 65.804 64.854 0.950 25104 16264 1 18 . 1 1 147 147 SER H H 147 8.229 8.229 8.160 0.069 25104 16265 1 18 . 1 1 148 148 ARG N N 148 120.299 120.299 121.107 -0.808 25104 16266 1 18 . 1 1 148 148 ARG HA H 148 4.221 4.221 4.260 -0.039 25104 16267 1 18 . 1 1 148 148 ARG C C 148 177.709 177.709 177.021 0.688 25104 16268 1 18 . 1 1 148 148 ARG CA C 148 59.810 59.810 57.682 2.128 25104 16269 1 18 . 1 1 148 148 ARG CB C 148 29.896 29.896 29.740 0.156 25104 16270 1 18 . 1 1 148 148 ARG H H 148 8.850 8.850 8.840 0.010 25104 16271 1 18 . 1 1 149 149 ASN N N 149 111.689 111.689 114.819 -3.130 25104 16272 1 18 . 1 1 149 149 ASN HA H 149 4.901 4.901 4.670 0.231 25104 16273 1 18 . 1 1 149 149 ASN C C 149 177.708 177.708 176.233 1.475 25104 16274 1 18 . 1 1 149 149 ASN CA C 149 52.305 52.305 53.233 -0.928 25104 16275 1 18 . 1 1 149 149 ASN CB C 149 38.477 38.477 38.702 -0.225 25104 16276 1 18 . 1 1 149 149 ASN H H 149 7.891 7.891 7.669 0.222 25104 16277 1 18 . 1 1 150 150 GLY N N 150 110.138 110.138 108.227 1.911 25104 16278 1 18 . 1 1 150 150 GLY C C 150 174.368 174.368 173.643 0.725 25104 16279 1 18 . 1 1 150 150 GLY CA C 150 45.257 45.257 44.892 0.365 25104 16280 1 18 . 1 1 150 150 GLY H H 150 8.087 8.087 8.015 0.072 25104 16281 1 18 . 1 1 151 151 LYS N N 151 119.859 119.859 123.233 -3.374 25104 16282 1 18 . 1 1 151 151 LYS HA H 151 4.466 4.466 4.466 -0.000 25104 16283 1 18 . 1 1 151 151 LYS C C 151 179.533 179.533 175.865 3.668 25104 16284 1 18 . 1 1 151 151 LYS CA C 151 57.088 57.088 56.190 0.898 25104 16285 1 18 . 1 1 151 151 LYS CB C 151 32.435 32.435 33.983 -1.548 25104 16286 1 18 . 1 1 151 151 LYS H H 151 7.534 7.534 7.765 -0.231 25104 16287 1 18 . 1 1 152 152 THR N N 152 116.442 116.442 115.103 1.339 25104 16288 1 18 . 1 1 152 152 THR HA H 152 5.579 5.579 4.792 0.787 25104 16289 1 18 . 1 1 152 152 THR C C 152 176.969 176.969 175.316 1.653 25104 16290 1 18 . 1 1 152 152 THR CA C 152 60.097 60.097 61.372 -1.275 25104 16291 1 18 . 1 1 152 152 THR CB C 152 71.324 71.324 69.994 1.330 25104 16292 1 18 . 1 1 152 152 THR H H 152 8.837 8.837 8.472 0.365 25104 16293 1 18 . 1 1 153 153 SER N N 153 117.113 117.113 119.244 -2.131 25104 16294 1 18 . 1 1 153 153 SER HA H 153 4.574 4.574 4.379 0.195 25104 16295 1 18 . 1 1 153 153 SER C C 153 175.737 175.737 174.891 0.846 25104 16296 1 18 . 1 1 153 153 SER CA C 153 58.222 58.222 61.215 -2.993 25104 16297 1 18 . 1 1 153 153 SER CB C 153 63.922 63.922 63.557 0.365 25104 16298 1 18 . 1 1 153 153 SER H H 153 9.424 9.424 8.885 0.539 25104 16299 1 18 . 1 1 154 154 LYS N N 154 119.347 119.347 120.345 -0.998 25104 16300 1 18 . 1 1 154 154 LYS HA H 154 4.594 4.594 4.540 0.054 25104 16301 1 18 . 1 1 154 154 LYS C C 154 175.436 175.436 175.134 0.302 25104 16302 1 18 . 1 1 154 154 LYS CA C 154 54.578 54.578 53.909 0.669 25104 16303 1 18 . 1 1 154 154 LYS CB C 154 38.443 38.443 34.120 4.323 25104 16304 1 18 . 1 1 154 154 LYS H H 154 7.566 7.566 7.453 0.113 25104 16305 1 18 . 1 1 155 155 LYS N N 155 121.869 121.869 125.086 -3.217 25104 16306 1 18 . 1 1 155 155 LYS HA H 155 4.348 4.348 4.359 -0.011 25104 16307 1 18 . 1 1 155 155 LYS C C 155 176.946 176.946 176.330 0.616 25104 16308 1 18 . 1 1 155 155 LYS CA C 155 56.325 56.325 55.613 0.712 25104 16309 1 18 . 1 1 155 155 LYS CB C 155 32.136 32.136 31.699 0.437 25104 16310 1 18 . 1 1 155 155 LYS H H 155 8.820 8.820 8.619 0.201 25104 16311 1 18 . 1 1 156 156 ILE N N 156 134.145 134.145 129.300 4.845 25104 16312 1 18 . 1 1 156 156 ILE HA H 156 5.134 5.134 4.681 0.453 25104 16313 1 18 . 1 1 156 156 ILE C C 156 177.451 177.451 175.738 1.713 25104 16314 1 18 . 1 1 156 156 ILE CA C 156 59.538 59.538 61.004 -1.466 25104 16315 1 18 . 1 1 156 156 ILE CB C 156 37.167 37.167 38.367 -1.200 25104 16316 1 18 . 1 1 156 156 ILE H H 156 9.609 9.609 8.174 1.435 25104 16317 1 18 . 1 1 157 157 THR N N 157 117.447 117.447 118.198 -0.751 25104 16318 1 18 . 1 1 157 157 THR HA H 157 5.311 5.311 4.939 0.372 25104 16319 1 18 . 1 1 157 157 THR C C 157 174.572 174.572 173.655 0.917 25104 16320 1 18 . 1 1 157 157 THR CA C 157 59.679 59.679 59.351 0.328 25104 16321 1 18 . 1 1 157 157 THR CB C 157 72.708 72.708 71.986 0.722 25104 16322 1 18 . 1 1 157 157 THR H H 157 9.281 9.281 9.131 0.150 25104 16323 1 18 . 1 1 158 158 ILE N N 158 121.950 121.950 121.502 0.448 25104 16324 1 18 . 1 1 158 158 ILE HA H 158 4.293 4.293 4.540 -0.247 25104 16325 1 18 . 1 1 158 158 ILE C C 158 175.631 175.631 176.694 -1.063 25104 16326 1 18 . 1 1 158 158 ILE CA C 158 60.992 60.992 61.260 -0.268 25104 16327 1 18 . 1 1 158 158 ILE CB C 158 36.826 36.826 37.745 -0.919 25104 16328 1 18 . 1 1 158 158 ILE H H 158 8.624 8.624 8.194 0.430 25104 16329 1 18 . 1 1 159 159 ALA N N 159 132.727 132.727 132.234 0.493 25104 16330 1 18 . 1 1 159 159 ALA HA H 159 4.179 4.179 4.173 0.006 25104 16331 1 18 . 1 1 159 159 ALA C C 159 179.489 179.489 177.239 2.250 25104 16332 1 18 . 1 1 159 159 ALA CA C 159 54.243 54.243 54.336 -0.093 25104 16333 1 18 . 1 1 159 159 ALA CB C 159 18.804 18.804 19.445 -0.641 25104 16334 1 18 . 1 1 159 159 ALA H H 159 8.910 8.910 8.759 0.151 25104 16335 1 18 . 1 1 160 160 ASP N N 160 111.561 111.561 113.400 -1.839 25104 16336 1 18 . 1 1 160 160 ASP HA H 160 4.937 4.937 4.924 0.013 25104 16337 1 18 . 1 1 160 160 ASP C C 160 173.920 173.920 174.471 -0.551 25104 16338 1 18 . 1 1 160 160 ASP CA C 160 52.873 52.873 53.737 -0.864 25104 16339 1 18 . 1 1 160 160 ASP CB C 160 43.620 43.620 42.895 0.725 25104 16340 1 18 . 1 1 160 160 ASP H H 160 8.107 8.107 7.769 0.338 25104 16341 1 18 . 1 1 161 161 CYS N N 161 116.145 116.145 116.029 0.116 25104 16342 1 18 . 1 1 161 161 CYS HA H 161 4.626 4.626 5.901 -1.275 25104 16343 1 18 . 1 1 161 161 CYS C C 161 173.426 173.426 174.319 -0.893 25104 16344 1 18 . 1 1 161 161 CYS CA C 161 55.518 55.518 56.439 -0.921 25104 16345 1 18 . 1 1 161 161 CYS CB C 161 31.463 31.463 32.203 -0.740 25104 16346 1 18 . 1 1 161 161 CYS H H 161 8.640 8.640 8.640 0.000 25104 16347 1 18 . 1 1 162 162 GLY N N 162 104.114 104.114 107.493 -3.379 25104 16348 1 18 . 1 1 162 162 GLY C C 162 171.116 171.116 173.503 -2.387 25104 16349 1 18 . 1 1 162 162 GLY CA C 162 45.436 45.436 44.771 0.665 25104 16350 1 18 . 1 1 162 162 GLY H H 162 6.889 6.889 8.278 -1.389 25104 16351 1 18 . 1 1 163 163 GLN N N 163 121.022 121.022 120.412 0.610 25104 16352 1 18 . 1 1 163 163 GLN HA H 163 5.150 5.150 4.118 1.032 25104 16353 1 18 . 1 1 163 163 GLN C C 163 176.548 176.548 175.827 0.721 25104 16354 1 18 . 1 1 163 163 GLN CA C 163 54.794 54.794 56.450 -1.655 25104 16355 1 18 . 1 1 163 163 GLN CB C 163 30.765 30.765 28.631 2.134 25104 16356 1 18 . 1 1 163 163 GLN H H 163 9.062 9.062 8.149 0.913 25104 16357 1 18 . 1 1 164 164 LEU N N 164 126.034 126.034 128.797 -2.763 25104 16358 1 18 . 1 1 164 164 LEU HA H 164 4.641 4.641 4.218 0.423 25104 16359 1 18 . 1 1 164 164 LEU C C 164 177.108 177.108 175.534 1.574 25104 16360 1 18 . 1 1 164 164 LEU CA C 164 55.036 55.036 55.334 -0.298 25104 16361 1 18 . 1 1 164 164 LEU CB C 164 43.560 43.560 41.224 2.336 25104 16362 1 18 . 1 1 164 164 LEU H H 164 8.639 8.639 8.164 0.475 25104 16363 1 19 . 1 1 2 2 VAL N N 2 111.261 111.261 122.420 -11.159 25104 16364 1 19 . 1 1 2 2 VAL HA H 2 4.126 4.126 4.011 0.115 25104 16365 1 19 . 1 1 2 2 VAL C C 2 176.404 176.404 175.713 0.691 25104 16366 1 19 . 1 1 2 2 VAL CA C 2 61.417 61.417 63.347 -1.930 25104 16367 1 19 . 1 1 2 2 VAL CB C 2 33.763 33.763 32.297 1.466 25104 16368 1 19 . 1 1 2 2 VAL H H 2 8.447 8.447 8.306 0.141 25104 16369 1 19 . 1 1 3 3 ASN N N 3 126.056 126.056 120.430 5.626 25104 16370 1 19 . 1 1 3 3 ASN HA H 3 5.205 5.205 4.710 0.495 25104 16371 1 19 . 1 1 3 3 ASN CA C 3 50.987 50.987 52.806 -1.819 25104 16372 1 19 . 1 1 3 3 ASN CB C 3 38.031 38.031 38.466 -0.435 25104 16373 1 19 . 1 1 3 3 ASN H H 3 8.666 8.666 8.148 0.518 25104 16374 1 19 . 1 1 4 4 PRO HA H 4 4.818 4.818 4.396 0.422 25104 16375 1 19 . 1 1 4 4 PRO C C 4 176.242 176.242 176.242 0.000 25104 16376 1 19 . 1 1 4 4 PRO CA C 4 62.832 62.832 63.053 -0.221 25104 16377 1 19 . 1 1 4 4 PRO CB C 4 33.162 33.162 32.215 0.947 25104 16378 1 19 . 1 1 5 5 THR N N 5 115.265 115.265 121.409 -6.144 25104 16379 1 19 . 1 1 5 5 THR HA H 5 5.759 5.759 4.963 0.796 25104 16380 1 19 . 1 1 5 5 THR C C 5 176.483 176.483 174.098 2.385 25104 16381 1 19 . 1 1 5 5 THR CA C 5 60.867 60.867 62.633 -1.766 25104 16382 1 19 . 1 1 5 5 THR CB C 5 71.050 71.050 69.772 1.278 25104 16383 1 19 . 1 1 5 5 THR H H 5 8.787 8.787 7.966 0.821 25104 16384 1 19 . 1 1 6 6 VAL N N 6 120.640 120.640 122.805 -2.165 25104 16385 1 19 . 1 1 6 6 VAL HA H 6 5.379 5.379 4.543 0.836 25104 16386 1 19 . 1 1 6 6 VAL C C 6 174.710 174.710 173.935 0.775 25104 16387 1 19 . 1 1 6 6 VAL CA C 6 58.881 58.881 59.902 -1.021 25104 16388 1 19 . 1 1 6 6 VAL CB C 6 36.180 36.180 34.069 2.111 25104 16389 1 19 . 1 1 6 6 VAL H H 6 8.805 8.805 8.351 0.454 25104 16390 1 19 . 1 1 7 7 PHE N N 7 119.359 119.359 127.105 -7.746 25104 16391 1 19 . 1 1 7 7 PHE HA H 7 5.948 5.948 5.374 0.574 25104 16392 1 19 . 1 1 7 7 PHE C C 7 173.634 173.634 173.430 0.204 25104 16393 1 19 . 1 1 7 7 PHE CA C 7 55.925 55.925 55.658 0.267 25104 16394 1 19 . 1 1 7 7 PHE CB C 7 43.166 43.166 42.549 0.617 25104 16395 1 19 . 1 1 7 7 PHE H H 7 8.995 8.995 8.207 0.788 25104 16396 1 19 . 1 1 8 8 PHE N N 8 117.097 117.097 122.964 -5.867 25104 16397 1 19 . 1 1 8 8 PHE HA H 8 5.367 5.367 4.961 0.406 25104 16398 1 19 . 1 1 8 8 PHE C C 8 176.000 176.000 173.741 2.259 25104 16399 1 19 . 1 1 8 8 PHE CA C 8 53.460 53.460 55.741 -2.281 25104 16400 1 19 . 1 1 8 8 PHE CB C 8 42.791 42.791 43.490 -0.699 25104 16401 1 19 . 1 1 8 8 PHE H H 8 9.571 9.571 8.505 1.066 25104 16402 1 19 . 1 1 9 9 ASP N N 9 124.287 124.287 122.579 1.708 25104 16403 1 19 . 1 1 9 9 ASP HA H 9 5.585 5.585 5.098 0.487 25104 16404 1 19 . 1 1 9 9 ASP C C 9 176.286 176.286 175.021 1.265 25104 16405 1 19 . 1 1 9 9 ASP CA C 9 54.831 54.831 53.893 0.938 25104 16406 1 19 . 1 1 9 9 ASP CB C 9 41.366 41.366 42.462 -1.096 25104 16407 1 19 . 1 1 9 9 ASP H H 9 9.301 9.301 8.720 0.581 25104 16408 1 19 . 1 1 10 10 ILE N N 10 124.286 124.286 124.025 0.261 25104 16409 1 19 . 1 1 10 10 ILE HA H 10 5.213 5.213 4.187 1.026 25104 16410 1 19 . 1 1 10 10 ILE C C 10 177.031 177.031 174.584 2.447 25104 16411 1 19 . 1 1 10 10 ILE CA C 10 58.233 58.233 59.589 -1.356 25104 16412 1 19 . 1 1 10 10 ILE CB C 10 37.769 37.769 37.103 0.666 25104 16413 1 19 . 1 1 10 10 ILE H H 10 9.059 9.059 8.347 0.712 25104 16414 1 19 . 1 1 11 11 ALA N N 11 132.503 132.503 130.299 2.204 25104 16415 1 19 . 1 1 11 11 ALA HA H 11 5.216 5.216 5.078 0.138 25104 16416 1 19 . 1 1 11 11 ALA C C 11 175.928 175.928 175.363 0.565 25104 16417 1 19 . 1 1 11 11 ALA CA C 11 50.948 50.948 50.411 0.537 25104 16418 1 19 . 1 1 11 11 ALA CB C 11 22.804 22.804 22.944 -0.140 25104 16419 1 19 . 1 1 11 11 ALA H H 11 9.642 9.642 8.678 0.964 25104 16420 1 19 . 1 1 12 12 VAL N N 12 118.551 118.551 123.855 -5.304 25104 16421 1 19 . 1 1 12 12 VAL HA H 12 4.578 4.578 3.949 0.629 25104 16422 1 19 . 1 1 12 12 VAL C C 12 177.347 177.347 175.847 1.500 25104 16423 1 19 . 1 1 12 12 VAL CA C 12 60.457 60.457 62.216 -1.759 25104 16424 1 19 . 1 1 12 12 VAL CB C 12 33.301 33.301 31.291 2.010 25104 16425 1 19 . 1 1 12 12 VAL H H 12 8.984 8.984 8.524 0.461 25104 16426 1 19 . 1 1 13 13 ASP N N 13 131.009 131.009 126.197 4.812 25104 16427 1 19 . 1 1 13 13 ASP HA H 13 4.359 4.359 4.382 -0.023 25104 16428 1 19 . 1 1 13 13 ASP C C 13 176.795 176.795 176.092 0.703 25104 16429 1 19 . 1 1 13 13 ASP CA C 13 55.880 55.880 55.623 0.257 25104 16430 1 19 . 1 1 13 13 ASP CB C 13 39.999 39.999 39.114 0.885 25104 16431 1 19 . 1 1 13 13 ASP H H 13 9.868 9.868 9.086 0.782 25104 16432 1 19 . 1 1 14 14 GLY N N 14 101.848 101.848 102.737 -0.889 25104 16433 1 19 . 1 1 14 14 GLY C C 14 174.700 174.700 174.517 0.183 25104 16434 1 19 . 1 1 14 14 GLY CA C 14 45.303 45.303 45.025 0.278 25104 16435 1 19 . 1 1 14 14 GLY H H 14 8.578 8.578 8.275 0.303 25104 16436 1 19 . 1 1 15 15 GLU N N 15 123.331 123.331 122.498 0.833 25104 16437 1 19 . 1 1 15 15 GLU HA H 15 4.891 4.891 4.681 0.210 25104 16438 1 19 . 1 1 15 15 GLU CA C 15 52.932 52.932 53.087 -0.155 25104 16439 1 19 . 1 1 15 15 GLU CB C 15 30.468 30.468 29.618 0.850 25104 16440 1 19 . 1 1 15 15 GLU H H 15 8.086 8.086 7.627 0.459 25104 16441 1 19 . 1 1 16 16 PRO HA H 16 4.240 4.240 4.305 -0.065 25104 16442 1 19 . 1 1 16 16 PRO C C 16 177.072 177.072 176.115 0.957 25104 16443 1 19 . 1 1 16 16 PRO CA C 16 64.838 64.838 63.272 1.566 25104 16444 1 19 . 1 1 16 16 PRO CB C 16 32.368 32.368 31.590 0.778 25104 16445 1 19 . 1 1 17 17 LEU N N 17 126.051 126.051 126.807 -0.756 25104 16446 1 19 . 1 1 17 17 LEU HA H 17 4.739 4.739 4.335 0.404 25104 16447 1 19 . 1 1 17 17 LEU C C 17 176.975 176.975 176.680 0.295 25104 16448 1 19 . 1 1 17 17 LEU CA C 17 55.511 55.511 55.951 -0.440 25104 16449 1 19 . 1 1 17 17 LEU CB C 17 44.257 44.257 43.186 1.071 25104 16450 1 19 . 1 1 17 17 LEU H H 17 9.237 9.237 8.460 0.777 25104 16451 1 19 . 1 1 18 18 GLY N N 18 102.496 102.496 105.296 -2.800 25104 16452 1 19 . 1 1 18 18 GLY C C 18 170.997 170.997 171.514 -0.517 25104 16453 1 19 . 1 1 18 18 GLY CA C 18 44.713 44.713 44.733 -0.020 25104 16454 1 19 . 1 1 18 18 GLY H H 18 7.303 7.303 7.721 -0.418 25104 16455 1 19 . 1 1 19 19 ARG N N 19 121.330 121.330 119.383 1.947 25104 16456 1 19 . 1 1 19 19 ARG HA H 19 5.665 5.665 4.915 0.750 25104 16457 1 19 . 1 1 19 19 ARG C C 19 176.011 176.011 175.160 0.851 25104 16458 1 19 . 1 1 19 19 ARG CA C 19 55.106 55.106 55.267 -0.161 25104 16459 1 19 . 1 1 19 19 ARG CB C 19 33.587 33.587 33.064 0.523 25104 16460 1 19 . 1 1 19 19 ARG H H 19 8.348 8.348 8.331 0.017 25104 16461 1 19 . 1 1 20 20 VAL N N 20 126.859 126.859 123.854 3.005 25104 16462 1 19 . 1 1 20 20 VAL HA H 20 4.650 4.650 4.366 0.284 25104 16463 1 19 . 1 1 20 20 VAL C C 20 174.836 174.836 174.104 0.732 25104 16464 1 19 . 1 1 20 20 VAL CA C 20 59.966 59.966 60.564 -0.598 25104 16465 1 19 . 1 1 20 20 VAL CB C 20 35.034 35.034 34.677 0.357 25104 16466 1 19 . 1 1 20 20 VAL H H 20 9.400 9.400 8.419 0.981 25104 16467 1 19 . 1 1 21 21 SER N N 21 120.319 120.319 122.051 -1.732 25104 16468 1 19 . 1 1 21 21 SER HA H 21 5.565 5.565 5.360 0.205 25104 16469 1 19 . 1 1 21 21 SER C C 21 174.694 174.694 173.796 0.898 25104 16470 1 19 . 1 1 21 21 SER CA C 21 55.462 55.462 56.874 -1.412 25104 16471 1 19 . 1 1 21 21 SER CB C 21 66.546 66.546 64.868 1.678 25104 16472 1 19 . 1 1 21 21 SER H H 21 8.791 8.791 8.307 0.484 25104 16473 1 19 . 1 1 22 22 PHE N N 22 119.239 119.239 123.576 -4.337 25104 16474 1 19 . 1 1 22 22 PHE HA H 22 5.279 5.279 5.108 0.171 25104 16475 1 19 . 1 1 22 22 PHE C C 22 176.190 176.190 175.600 0.590 25104 16476 1 19 . 1 1 22 22 PHE CA C 22 55.882 55.882 56.425 -0.542 25104 16477 1 19 . 1 1 22 22 PHE CB C 22 42.673 42.673 41.764 0.909 25104 16478 1 19 . 1 1 22 22 PHE H H 22 9.553 9.553 9.391 0.162 25104 16479 1 19 . 1 1 23 23 GLU N N 23 123.308 123.308 121.027 2.281 25104 16480 1 19 . 1 1 23 23 GLU HA H 23 4.797 4.797 4.629 0.168 25104 16481 1 19 . 1 1 23 23 GLU C C 23 175.673 175.673 175.422 0.251 25104 16482 1 19 . 1 1 23 23 GLU CA C 23 55.119 55.119 54.946 0.173 25104 16483 1 19 . 1 1 23 23 GLU CB C 23 32.058 32.058 32.035 0.023 25104 16484 1 19 . 1 1 23 23 GLU H H 23 8.791 8.791 8.710 0.081 25104 16485 1 19 . 1 1 24 24 LEU N N 24 122.539 122.539 126.914 -4.375 25104 16486 1 19 . 1 1 24 24 LEU HA H 24 4.749 4.749 4.864 -0.115 25104 16487 1 19 . 1 1 24 24 LEU C C 24 178.229 178.229 177.279 0.950 25104 16488 1 19 . 1 1 24 24 LEU CA C 24 51.899 51.899 54.186 -2.287 25104 16489 1 19 . 1 1 24 24 LEU CB C 24 43.248 43.248 42.709 0.539 25104 16490 1 19 . 1 1 24 24 LEU H H 24 8.198 8.198 8.861 -0.663 25104 16491 1 19 . 1 1 25 25 PHE N N 25 124.715 124.715 123.448 1.267 25104 16492 1 19 . 1 1 25 25 PHE HA H 25 5.171 5.171 4.882 0.289 25104 16493 1 19 . 1 1 25 25 PHE C C 25 177.485 177.485 175.490 1.995 25104 16494 1 19 . 1 1 25 25 PHE CA C 25 54.699 54.699 57.203 -2.505 25104 16495 1 19 . 1 1 25 25 PHE CB C 25 36.100 36.100 36.800 -0.700 25104 16496 1 19 . 1 1 25 25 PHE H H 25 8.864 8.864 9.297 -0.433 25104 16497 1 19 . 1 1 26 26 ALA N N 26 128.663 128.663 124.506 4.157 25104 16498 1 19 . 1 1 26 26 ALA HA H 26 3.838 3.838 4.252 -0.414 25104 16499 1 19 . 1 1 26 26 ALA C C 26 177.291 177.291 178.327 -1.036 25104 16500 1 19 . 1 1 26 26 ALA CA C 26 54.316 54.316 54.417 -0.101 25104 16501 1 19 . 1 1 26 26 ALA CB C 26 19.002 19.002 19.060 -0.058 25104 16502 1 19 . 1 1 26 26 ALA H H 26 8.480 8.480 7.706 0.774 25104 16503 1 19 . 1 1 27 27 ASP N N 27 114.191 114.191 116.207 -2.016 25104 16504 1 19 . 1 1 27 27 ASP HA H 27 4.197 4.197 4.470 -0.273 25104 16505 1 19 . 1 1 27 27 ASP C C 27 177.976 177.976 177.028 0.948 25104 16506 1 19 . 1 1 27 27 ASP CA C 27 55.410 55.410 56.138 -0.728 25104 16507 1 19 . 1 1 27 27 ASP CB C 27 38.821 38.821 40.309 -1.488 25104 16508 1 19 . 1 1 27 27 ASP H H 27 9.145 9.145 8.724 0.421 25104 16509 1 19 . 1 1 28 28 LYS N N 28 118.107 118.107 118.880 -0.773 25104 16510 1 19 . 1 1 28 28 LYS HA H 28 4.599 4.599 4.421 0.178 25104 16511 1 19 . 1 1 28 28 LYS C C 28 177.840 177.840 177.343 0.497 25104 16512 1 19 . 1 1 28 28 LYS CA C 28 56.262 56.262 57.551 -1.289 25104 16513 1 19 . 1 1 28 28 LYS CB C 28 36.006 36.006 35.109 0.897 25104 16514 1 19 . 1 1 28 28 LYS H H 28 7.569 7.569 7.631 -0.062 25104 16515 1 19 . 1 1 29 29 VAL N N 29 114.551 114.551 115.776 -1.225 25104 16516 1 19 . 1 1 29 29 VAL HA H 29 4.487 4.487 4.947 -0.460 25104 16517 1 19 . 1 1 29 29 VAL CA C 29 58.309 58.309 58.534 -0.225 25104 16518 1 19 . 1 1 29 29 VAL CB C 29 32.078 32.078 31.444 0.634 25104 16519 1 19 . 1 1 29 29 VAL H H 29 8.364 8.364 8.160 0.204 25104 16520 1 19 . 1 1 30 30 PRO HA H 30 4.450 4.450 4.384 0.066 25104 16521 1 19 . 1 1 30 30 PRO C C 30 181.892 181.892 178.482 3.410 25104 16522 1 19 . 1 1 30 30 PRO CA C 30 66.227 66.227 65.292 0.935 25104 16523 1 19 . 1 1 30 30 PRO CB C 30 31.547 31.547 31.845 -0.298 25104 16524 1 19 . 1 1 31 31 LYS N N 31 123.785 123.785 119.452 4.333 25104 16525 1 19 . 1 1 31 31 LYS HA H 31 4.105 4.105 3.959 0.146 25104 16526 1 19 . 1 1 31 31 LYS C C 31 182.749 182.749 178.554 4.195 25104 16527 1 19 . 1 1 31 31 LYS CA C 31 61.057 61.057 59.921 1.136 25104 16528 1 19 . 1 1 31 31 LYS CB C 31 32.468 32.468 31.740 0.728 25104 16529 1 19 . 1 1 31 31 LYS H H 31 10.684 10.684 8.633 2.051 25104 16530 1 19 . 1 1 32 32 THR N N 32 124.002 124.002 113.652 10.350 25104 16531 1 19 . 1 1 32 32 THR HA H 32 4.034 4.034 4.162 -0.128 25104 16532 1 19 . 1 1 32 32 THR C C 32 178.673 178.673 176.214 2.459 25104 16533 1 19 . 1 1 32 32 THR CA C 32 67.526 67.526 66.280 1.246 25104 16534 1 19 . 1 1 32 32 THR CB C 32 68.705 68.705 68.763 -0.058 25104 16535 1 19 . 1 1 32 32 THR H H 32 10.320 10.320 8.214 2.106 25104 16536 1 19 . 1 1 33 33 ALA N N 33 125.616 125.616 123.810 1.806 25104 16537 1 19 . 1 1 33 33 ALA HA H 33 4.092 4.092 4.345 -0.253 25104 16538 1 19 . 1 1 33 33 ALA C C 33 179.174 179.174 179.145 0.029 25104 16539 1 19 . 1 1 33 33 ALA CA C 33 55.972 55.972 54.983 0.989 25104 16540 1 19 . 1 1 33 33 ALA CB C 33 18.414 18.414 18.480 -0.066 25104 16541 1 19 . 1 1 33 33 ALA H H 33 9.311 9.311 7.981 1.330 25104 16542 1 19 . 1 1 34 34 GLU N N 34 117.376 117.376 118.803 -1.427 25104 16543 1 19 . 1 1 34 34 GLU HA H 34 4.556 4.556 4.006 0.550 25104 16544 1 19 . 1 1 34 34 GLU C C 34 178.418 178.418 178.641 -0.223 25104 16545 1 19 . 1 1 34 34 GLU CA C 34 58.238 58.238 58.556 -0.318 25104 16546 1 19 . 1 1 34 34 GLU CB C 34 28.181 28.181 29.405 -1.224 25104 16547 1 19 . 1 1 34 34 GLU H H 34 8.069 8.069 8.052 0.017 25104 16548 1 19 . 1 1 35 35 ASN N N 35 115.722 115.722 118.878 -3.156 25104 16549 1 19 . 1 1 35 35 ASN HA H 35 4.108 4.108 4.317 -0.209 25104 16550 1 19 . 1 1 35 35 ASN C C 35 175.568 175.568 177.100 -1.532 25104 16551 1 19 . 1 1 35 35 ASN CA C 35 56.768 56.768 56.113 0.655 25104 16552 1 19 . 1 1 35 35 ASN CB C 35 39.644 39.644 38.173 1.471 25104 16553 1 19 . 1 1 35 35 ASN H H 35 7.193 7.193 7.821 -0.628 25104 16554 1 19 . 1 1 36 36 PHE N N 36 117.929 117.929 120.434 -2.505 25104 16555 1 19 . 1 1 36 36 PHE HA H 36 4.158 4.158 4.176 -0.018 25104 16556 1 19 . 1 1 36 36 PHE C C 36 179.707 179.707 177.347 2.360 25104 16557 1 19 . 1 1 36 36 PHE CA C 36 61.589 61.589 60.749 0.840 25104 16558 1 19 . 1 1 36 36 PHE CB C 36 39.948 39.948 39.041 0.907 25104 16559 1 19 . 1 1 36 36 PHE H H 36 7.065 7.065 7.275 -0.210 25104 16560 1 19 . 1 1 37 37 ARG N N 37 121.048 121.048 120.298 0.750 25104 16561 1 19 . 1 1 37 37 ARG HA H 37 3.685 3.685 3.811 -0.126 25104 16562 1 19 . 1 1 37 37 ARG C C 37 179.000 179.000 178.038 0.962 25104 16563 1 19 . 1 1 37 37 ARG CA C 37 60.515 60.515 59.948 0.567 25104 16564 1 19 . 1 1 37 37 ARG CB C 37 29.880 29.880 30.144 -0.264 25104 16565 1 19 . 1 1 37 37 ARG H H 37 8.975 8.975 8.214 0.761 25104 16566 1 19 . 1 1 38 38 ALA N N 38 119.232 119.232 121.117 -1.885 25104 16567 1 19 . 1 1 38 38 ALA HA H 38 4.126 4.126 4.414 -0.288 25104 16568 1 19 . 1 1 38 38 ALA C C 38 183.365 183.365 179.984 3.381 25104 16569 1 19 . 1 1 38 38 ALA CA C 38 54.477 54.477 54.222 0.255 25104 16570 1 19 . 1 1 38 38 ALA CB C 38 18.405 18.405 18.561 -0.156 25104 16571 1 19 . 1 1 38 38 ALA H H 38 8.741 8.741 7.779 0.962 25104 16572 1 19 . 1 1 39 39 LEU N N 39 120.723 120.723 118.725 1.998 25104 16573 1 19 . 1 1 39 39 LEU HA H 39 3.800 3.800 3.893 -0.093 25104 16574 1 19 . 1 1 39 39 LEU C C 39 180.481 180.481 178.941 1.540 25104 16575 1 19 . 1 1 39 39 LEU CA C 39 57.268 57.268 57.880 -0.612 25104 16576 1 19 . 1 1 39 39 LEU CB C 39 41.218 41.218 41.817 -0.599 25104 16577 1 19 . 1 1 39 39 LEU H H 39 8.212 8.212 7.943 0.269 25104 16578 1 19 . 1 1 40 40 SER N N 40 119.210 119.210 113.645 5.565 25104 16579 1 19 . 1 1 40 40 SER HA H 40 4.341 4.341 4.330 0.011 25104 16580 1 19 . 1 1 40 40 SER C C 40 175.380 175.380 176.034 -0.654 25104 16581 1 19 . 1 1 40 40 SER CA C 40 62.924 62.924 61.518 1.406 25104 16582 1 19 . 1 1 40 40 SER CB C 40 62.992 62.992 63.245 -0.253 25104 16583 1 19 . 1 1 40 40 SER H H 40 7.938 7.938 7.871 0.067 25104 16584 1 19 . 1 1 41 41 THR N N 41 108.556 108.556 112.489 -3.933 25104 16585 1 19 . 1 1 41 41 THR HA H 41 4.508 4.508 4.215 0.292 25104 16586 1 19 . 1 1 41 41 THR C C 41 179.088 179.088 175.999 3.089 25104 16587 1 19 . 1 1 41 41 THR CA C 41 62.492 62.492 63.490 -0.998 25104 16588 1 19 . 1 1 41 41 THR CB C 41 69.663 69.663 69.177 0.486 25104 16589 1 19 . 1 1 41 41 THR H H 41 8.017 8.017 7.756 0.261 25104 16590 1 19 . 1 1 42 42 GLY N N 42 108.433 108.433 110.147 -1.714 25104 16591 1 19 . 1 1 42 42 GLY C C 42 178.676 178.676 175.880 2.796 25104 16592 1 19 . 1 1 42 42 GLY CA C 42 45.840 45.840 45.533 0.307 25104 16593 1 19 . 1 1 42 42 GLY H H 42 7.621 7.621 7.645 -0.024 25104 16594 1 19 . 1 1 43 43 GLU N N 43 118.777 118.777 120.779 -2.002 25104 16595 1 19 . 1 1 43 43 GLU HA H 43 4.171 4.171 4.075 0.096 25104 16596 1 19 . 1 1 43 43 GLU C C 43 177.458 177.458 177.648 -0.190 25104 16597 1 19 . 1 1 43 43 GLU CA C 43 58.580 58.580 58.084 0.497 25104 16598 1 19 . 1 1 43 43 GLU H H 43 8.049 8.049 8.049 -0.000 25104 16599 1 19 . 1 1 44 44 LYS N N 44 118.526 118.526 116.230 2.296 25104 16600 1 19 . 1 1 44 44 LYS HA H 44 4.342 4.342 4.261 0.081 25104 16601 1 19 . 1 1 44 44 LYS C C 44 177.590 177.590 176.792 0.798 25104 16602 1 19 . 1 1 44 44 LYS CA C 44 54.405 54.405 54.406 -0.001 25104 16603 1 19 . 1 1 44 44 LYS CB C 44 30.488 30.488 31.684 -1.196 25104 16604 1 19 . 1 1 44 44 LYS H H 44 9.123 9.123 7.307 1.816 25104 16605 1 19 . 1 1 45 45 GLY N N 45 105.553 105.553 107.620 -2.067 25104 16606 1 19 . 1 1 45 45 GLY C C 45 173.518 173.518 174.969 -1.451 25104 16607 1 19 . 1 1 45 45 GLY CA C 45 44.612 44.612 45.942 -1.330 25104 16608 1 19 . 1 1 45 45 GLY H H 45 7.970 7.970 7.656 0.314 25104 16609 1 19 . 1 1 46 46 PHE N N 46 113.753 113.753 120.896 -7.143 25104 16610 1 19 . 1 1 46 46 PHE HA H 46 4.678 4.678 4.253 0.425 25104 16611 1 19 . 1 1 46 46 PHE C C 46 173.684 173.684 176.647 -2.963 25104 16612 1 19 . 1 1 46 46 PHE CA C 46 54.077 54.077 57.295 -3.218 25104 16613 1 19 . 1 1 46 46 PHE CB C 46 39.658 39.658 38.387 1.271 25104 16614 1 19 . 1 1 46 46 PHE H H 46 6.469 6.469 7.514 -1.045 25104 16615 1 19 . 1 1 47 47 GLY N N 47 104.722 104.722 106.882 -2.160 25104 16616 1 19 . 1 1 47 47 GLY C C 47 172.446 172.446 174.410 -1.964 25104 16617 1 19 . 1 1 47 47 GLY CA C 47 45.601 45.601 45.487 0.114 25104 16618 1 19 . 1 1 47 47 GLY H H 47 7.756 7.756 7.856 -0.100 25104 16619 1 19 . 1 1 48 48 TYR N N 48 113.796 113.796 120.345 -6.549 25104 16620 1 19 . 1 1 48 48 TYR HA H 48 4.270 4.270 4.268 0.002 25104 16621 1 19 . 1 1 48 48 TYR C C 48 178.924 178.924 175.762 3.162 25104 16622 1 19 . 1 1 48 48 TYR CA C 48 57.365 57.365 57.830 -0.465 25104 16623 1 19 . 1 1 48 48 TYR CB C 48 38.832 38.832 37.328 1.504 25104 16624 1 19 . 1 1 48 48 TYR H H 48 6.948 6.948 7.627 -0.679 25104 16625 1 19 . 1 1 49 49 LYS N N 49 124.858 124.858 125.426 -0.568 25104 16626 1 19 . 1 1 49 49 LYS HA H 49 3.655 3.655 4.236 -0.581 25104 16627 1 19 . 1 1 49 49 LYS C C 49 178.388 178.388 176.578 1.810 25104 16628 1 19 . 1 1 49 49 LYS CA C 49 61.018 61.018 55.100 5.918 25104 16629 1 19 . 1 1 49 49 LYS CB C 49 31.484 31.484 33.965 -2.482 25104 16630 1 19 . 1 1 49 49 LYS H H 49 8.493 8.493 7.698 0.795 25104 16631 1 19 . 1 1 50 50 GLY N N 50 117.833 117.833 114.794 3.039 25104 16632 1 19 . 1 1 50 50 GLY C C 50 175.259 175.259 174.226 1.033 25104 16633 1 19 . 1 1 50 50 GLY CA C 50 45.495 45.495 45.056 0.439 25104 16634 1 19 . 1 1 50 50 GLY H H 50 9.509 9.509 8.146 1.363 25104 16635 1 19 . 1 1 51 51 SER N N 51 116.413 116.413 115.960 0.453 25104 16636 1 19 . 1 1 51 51 SER HA H 51 4.516 4.516 4.371 0.145 25104 16637 1 19 . 1 1 51 51 SER C C 51 172.808 172.808 174.902 -2.094 25104 16638 1 19 . 1 1 51 51 SER CA C 51 59.043 59.043 58.309 0.733 25104 16639 1 19 . 1 1 51 51 SER CB C 51 63.781 63.781 63.800 -0.019 25104 16640 1 19 . 1 1 51 51 SER H H 51 8.436 8.436 7.792 0.644 25104 16641 1 19 . 1 1 52 52 CYS N N 52 115.156 115.156 126.562 -11.406 25104 16642 1 19 . 1 1 52 52 CYS HA H 52 5.932 5.932 5.121 0.811 25104 16643 1 19 . 1 1 52 52 CYS C C 52 177.437 177.437 173.752 3.685 25104 16644 1 19 . 1 1 52 52 CYS CA C 52 55.998 55.998 57.874 -1.876 25104 16645 1 19 . 1 1 52 52 CYS CB C 52 31.953 31.953 30.319 1.635 25104 16646 1 19 . 1 1 52 52 CYS H H 52 9.875 9.875 8.527 1.348 25104 16647 1 19 . 1 1 53 53 PHE N N 53 123.068 123.068 123.336 -0.268 25104 16648 1 19 . 1 1 53 53 PHE HA H 53 4.899 4.899 4.808 0.091 25104 16649 1 19 . 1 1 53 53 PHE C C 53 175.886 175.886 175.906 -0.020 25104 16650 1 19 . 1 1 53 53 PHE CA C 53 58.389 58.389 57.093 1.296 25104 16651 1 19 . 1 1 53 53 PHE CB C 53 39.535 39.535 38.519 1.016 25104 16652 1 19 . 1 1 53 53 PHE H H 53 8.732 8.732 8.814 -0.082 25104 16653 1 19 . 1 1 54 54 HIS N N 54 120.227 120.227 121.082 -0.855 25104 16654 1 19 . 1 1 54 54 HIS HA H 54 4.763 4.763 4.706 0.057 25104 16655 1 19 . 1 1 54 54 HIS C C 54 176.409 176.409 175.204 1.205 25104 16656 1 19 . 1 1 54 54 HIS CA C 54 57.323 57.323 56.522 0.801 25104 16657 1 19 . 1 1 54 54 HIS CB C 54 31.542 31.542 30.814 0.728 25104 16658 1 19 . 1 1 54 54 HIS H H 54 7.696 7.696 8.342 -0.646 25104 16659 1 19 . 1 1 55 55 ARG N N 55 123.202 123.202 121.535 1.667 25104 16660 1 19 . 1 1 55 55 ARG HA H 55 5.118 5.118 5.424 -0.306 25104 16661 1 19 . 1 1 55 55 ARG C C 55 174.511 174.511 173.726 0.785 25104 16662 1 19 . 1 1 55 55 ARG CA C 55 54.913 54.913 54.661 0.252 25104 16663 1 19 . 1 1 55 55 ARG CB C 55 33.805 33.805 31.430 2.374 25104 16664 1 19 . 1 1 55 55 ARG H H 55 7.089 7.089 7.098 -0.009 25104 16665 1 19 . 1 1 56 56 ILE N N 56 126.621 126.621 126.481 0.140 25104 16666 1 19 . 1 1 56 56 ILE HA H 56 4.659 4.659 4.710 -0.051 25104 16667 1 19 . 1 1 56 56 ILE C C 56 174.633 174.633 174.022 0.611 25104 16668 1 19 . 1 1 56 56 ILE CA C 56 61.585 61.585 60.358 1.226 25104 16669 1 19 . 1 1 56 56 ILE CB C 56 41.452 41.452 42.162 -0.710 25104 16670 1 19 . 1 1 56 56 ILE H H 56 9.201 9.201 8.265 0.936 25104 16671 1 19 . 1 1 57 57 ILE N N 57 127.965 127.965 124.593 3.372 25104 16672 1 19 . 1 1 57 57 ILE HA H 57 5.248 5.248 5.169 0.079 25104 16673 1 19 . 1 1 57 57 ILE CA C 57 57.685 57.685 57.523 0.162 25104 16674 1 19 . 1 1 57 57 ILE CB C 57 40.236 40.236 41.441 -1.204 25104 16675 1 19 . 1 1 57 57 ILE H H 57 8.753 8.753 8.923 -0.170 25104 16676 1 19 . 1 1 58 58 PRO HA H 58 4.382 4.382 4.508 -0.126 25104 16677 1 19 . 1 1 58 58 PRO C C 58 178.669 178.669 177.773 0.896 25104 16678 1 19 . 1 1 58 58 PRO CA C 58 63.086 63.086 63.400 -0.314 25104 16679 1 19 . 1 1 58 58 PRO CB C 58 31.996 31.996 31.983 0.013 25104 16680 1 19 . 1 1 59 59 GLY N N 59 114.176 114.176 111.339 2.837 25104 16681 1 19 . 1 1 59 59 GLY C C 59 173.281 173.281 173.627 -0.346 25104 16682 1 19 . 1 1 59 59 GLY CA C 59 45.259 45.259 46.144 -0.885 25104 16683 1 19 . 1 1 59 59 GLY H H 59 9.752 9.752 8.784 0.968 25104 16684 1 19 . 1 1 60 60 PHE N N 60 119.241 119.241 118.283 0.958 25104 16685 1 19 . 1 1 60 60 PHE HA H 60 5.153 5.153 5.049 0.104 25104 16686 1 19 . 1 1 60 60 PHE C C 60 174.401 174.401 173.166 1.235 25104 16687 1 19 . 1 1 60 60 PHE CA C 60 56.867 56.867 57.531 -0.663 25104 16688 1 19 . 1 1 60 60 PHE CB C 60 39.954 39.954 41.973 -2.019 25104 16689 1 19 . 1 1 60 60 PHE H H 60 8.196 8.196 7.671 0.525 25104 16690 1 19 . 1 1 61 61 MET N N 61 111.262 111.262 117.012 -5.750 25104 16691 1 19 . 1 1 61 61 MET HA H 61 5.369 5.369 4.818 0.551 25104 16692 1 19 . 1 1 61 61 MET C C 61 175.163 175.163 172.979 2.184 25104 16693 1 19 . 1 1 61 61 MET CA C 61 55.062 55.062 54.922 0.140 25104 16694 1 19 . 1 1 61 61 MET CB C 61 35.010 35.010 36.051 -1.041 25104 16695 1 19 . 1 1 61 61 MET H H 61 8.128 8.128 8.348 -0.220 25104 16696 1 19 . 1 1 62 62 CYS N N 62 114.848 114.848 122.100 -7.252 25104 16697 1 19 . 1 1 62 62 CYS HA H 62 4.941 4.941 4.892 0.049 25104 16698 1 19 . 1 1 62 62 CYS C C 62 174.075 174.075 173.279 0.796 25104 16699 1 19 . 1 1 62 62 CYS CA C 62 57.485 57.485 56.509 0.976 25104 16700 1 19 . 1 1 62 62 CYS CB C 62 30.392 30.392 28.855 1.536 25104 16701 1 19 . 1 1 62 62 CYS H H 62 8.501 8.501 8.825 -0.324 25104 16702 1 19 . 1 1 63 63 GLN N N 63 126.854 126.854 126.847 0.007 25104 16703 1 19 . 1 1 63 63 GLN HA H 63 5.410 5.410 4.795 0.615 25104 16704 1 19 . 1 1 63 63 GLN C C 63 175.024 175.024 174.885 0.139 25104 16705 1 19 . 1 1 63 63 GLN CA C 63 54.691 54.691 54.196 0.495 25104 16706 1 19 . 1 1 63 63 GLN CB C 63 30.529 30.529 31.184 -0.655 25104 16707 1 19 . 1 1 63 63 GLN H H 63 9.671 9.671 8.759 0.912 25104 16708 1 19 . 1 1 64 64 GLY N N 64 110.745 110.745 110.772 -0.027 25104 16709 1 19 . 1 1 64 64 GLY C C 64 174.113 174.113 172.798 1.315 25104 16710 1 19 . 1 1 64 64 GLY CA C 64 44.788 44.788 42.766 2.022 25104 16711 1 19 . 1 1 64 64 GLY H H 64 7.401 7.401 8.086 -0.685 25104 16712 1 19 . 1 1 65 65 GLY N N 65 105.815 105.815 106.444 -0.629 25104 16713 1 19 . 1 1 65 65 GLY C C 65 176.175 176.175 173.750 2.425 25104 16714 1 19 . 1 1 65 65 GLY CA C 65 46.659 46.659 45.138 1.521 25104 16715 1 19 . 1 1 65 65 GLY H H 65 9.265 9.265 7.675 1.590 25104 16716 1 19 . 1 1 66 66 ASP N N 66 123.911 123.911 121.605 2.306 25104 16717 1 19 . 1 1 66 66 ASP HA H 66 4.337 4.337 4.867 -0.530 25104 16718 1 19 . 1 1 66 66 ASP C C 66 177.105 177.105 175.491 1.614 25104 16719 1 19 . 1 1 66 66 ASP CA C 66 51.592 51.592 53.305 -1.713 25104 16720 1 19 . 1 1 66 66 ASP CB C 66 38.926 38.926 42.121 -3.195 25104 16721 1 19 . 1 1 66 66 ASP H H 66 9.950 9.950 8.055 1.895 25104 16722 1 19 . 1 1 67 67 PHE N N 67 116.285 116.285 119.542 -3.257 25104 16723 1 19 . 1 1 67 67 PHE HA H 67 4.655 4.655 4.470 0.185 25104 16724 1 19 . 1 1 67 67 PHE C C 67 175.240 175.240 175.555 -0.315 25104 16725 1 19 . 1 1 67 67 PHE CA C 67 55.683 55.683 60.256 -4.573 25104 16726 1 19 . 1 1 67 67 PHE CB C 67 39.480 39.480 40.101 -0.621 25104 16727 1 19 . 1 1 67 67 PHE H H 67 6.660 6.660 7.625 -0.965 25104 16728 1 19 . 1 1 68 68 THR N N 68 109.280 109.280 116.828 -7.548 25104 16729 1 19 . 1 1 68 68 THR HA H 68 4.692 4.692 4.062 0.630 25104 16730 1 19 . 1 1 68 68 THR C C 68 176.514 176.514 173.130 3.384 25104 16731 1 19 . 1 1 68 68 THR CA C 68 61.962 61.962 62.302 -0.340 25104 16732 1 19 . 1 1 68 68 THR CB C 68 68.922 68.922 68.407 0.514 25104 16733 1 19 . 1 1 68 68 THR H H 68 7.400 7.400 7.589 -0.189 25104 16734 1 19 . 1 1 69 69 ARG N N 69 122.125 122.125 123.014 -0.889 25104 16735 1 19 . 1 1 69 69 ARG HA H 69 4.421 4.421 3.735 0.686 25104 16736 1 19 . 1 1 69 69 ARG CA C 69 55.265 55.265 56.715 -1.450 25104 16737 1 19 . 1 1 69 69 ARG CB C 69 31.727 31.727 28.091 3.636 25104 16738 1 19 . 1 1 69 69 ARG H H 69 8.719 8.719 8.487 0.232 25104 16739 1 19 . 1 1 70 70 HIS N N 70 111.574 111.574 117.642 -6.068 25104 16740 1 19 . 1 1 70 70 HIS HA H 70 4.451 4.451 4.576 -0.125 25104 16741 1 19 . 1 1 70 70 HIS C C 70 175.306 175.306 175.360 -0.054 25104 16742 1 19 . 1 1 70 70 HIS CA C 70 57.193 57.193 54.332 2.861 25104 16743 1 19 . 1 1 70 70 HIS CB C 70 28.587 28.587 28.300 0.287 25104 16744 1 19 . 1 1 70 70 HIS H H 70 6.865 6.865 8.463 -1.598 25104 16745 1 19 . 1 1 71 71 ASN N N 71 112.710 112.710 120.008 -7.298 25104 16746 1 19 . 1 1 71 71 ASN HA H 71 4.673 4.673 4.603 0.070 25104 16747 1 19 . 1 1 71 71 ASN C C 71 176.752 176.752 175.182 1.570 25104 16748 1 19 . 1 1 71 71 ASN CA C 71 52.366 52.366 52.211 0.155 25104 16749 1 19 . 1 1 71 71 ASN CB C 71 39.036 39.036 36.367 2.669 25104 16750 1 19 . 1 1 71 71 ASN H H 71 7.594 7.594 7.704 -0.110 25104 16751 1 19 . 1 1 72 72 GLY N N 72 110.452 110.452 107.190 3.262 25104 16752 1 19 . 1 1 72 72 GLY C C 72 176.669 176.669 174.863 1.806 25104 16753 1 19 . 1 1 72 72 GLY CA C 72 44.887 44.887 46.135 -1.248 25104 16754 1 19 . 1 1 72 72 GLY H H 72 9.642 9.642 7.873 1.769 25104 16755 1 19 . 1 1 73 73 THR N N 73 112.024 112.024 116.104 -4.080 25104 16756 1 19 . 1 1 73 73 THR HA H 73 4.541 4.541 4.235 0.306 25104 16757 1 19 . 1 1 73 73 THR C C 73 176.905 176.905 174.774 2.131 25104 16758 1 19 . 1 1 73 73 THR CA C 73 62.235 62.235 64.098 -1.863 25104 16759 1 19 . 1 1 73 73 THR CB C 73 70.677 70.677 70.091 0.586 25104 16760 1 19 . 1 1 73 73 THR H H 73 7.967 7.967 7.432 0.535 25104 16761 1 19 . 1 1 74 74 GLY N N 74 113.872 113.872 108.432 5.440 25104 16762 1 19 . 1 1 74 74 GLY C C 74 176.149 176.149 173.969 2.180 25104 16763 1 19 . 1 1 74 74 GLY CA C 74 45.126 45.126 45.886 -0.761 25104 16764 1 19 . 1 1 74 74 GLY H H 74 8.711 8.711 8.293 0.419 25104 16765 1 19 . 1 1 75 75 GLY N N 75 109.032 109.032 106.017 3.015 25104 16766 1 19 . 1 1 75 75 GLY C C 75 173.012 173.012 173.873 -0.861 25104 16767 1 19 . 1 1 75 75 GLY CA C 75 43.371 43.371 44.302 -0.931 25104 16768 1 19 . 1 1 75 75 GLY H H 75 8.117 8.117 7.411 0.706 25104 16769 1 19 . 1 1 76 76 LYS N N 76 115.705 115.705 119.806 -4.101 25104 16770 1 19 . 1 1 76 76 LYS HA H 76 4.623 4.623 4.390 0.233 25104 16771 1 19 . 1 1 76 76 LYS C C 76 173.512 173.512 176.672 -3.160 25104 16772 1 19 . 1 1 76 76 LYS CA C 76 55.975 55.975 56.620 -0.645 25104 16773 1 19 . 1 1 76 76 LYS CB C 76 34.648 34.648 33.043 1.605 25104 16774 1 19 . 1 1 76 76 LYS H H 76 7.034 7.034 7.702 -0.668 25104 16775 1 19 . 1 1 77 77 SER N N 77 114.354 114.354 114.924 -0.570 25104 16776 1 19 . 1 1 77 77 SER HA H 77 5.240 5.240 4.934 0.306 25104 16777 1 19 . 1 1 77 77 SER C C 77 176.746 176.746 176.710 0.036 25104 16778 1 19 . 1 1 77 77 SER CA C 77 57.077 57.077 57.521 -0.444 25104 16779 1 19 . 1 1 77 77 SER CB C 77 69.863 69.863 65.697 4.166 25104 16780 1 19 . 1 1 77 77 SER H H 77 7.793 7.793 8.253 -0.460 25104 16781 1 19 . 1 1 78 78 ILE N N 78 111.394 111.394 116.601 -5.207 25104 16782 1 19 . 1 1 78 78 ILE HA H 78 4.208 4.208 4.299 -0.091 25104 16783 1 19 . 1 1 78 78 ILE C C 78 176.973 176.973 175.444 1.529 25104 16784 1 19 . 1 1 78 78 ILE CA C 78 63.675 63.675 63.301 0.374 25104 16785 1 19 . 1 1 78 78 ILE CB C 78 37.434 37.434 37.880 -0.446 25104 16786 1 19 . 1 1 78 78 ILE H H 78 8.584 8.584 8.832 -0.248 25104 16787 1 19 . 1 1 79 79 TYR N N 79 120.757 120.757 119.186 1.571 25104 16788 1 19 . 1 1 79 79 TYR HA H 79 4.718 4.718 4.572 0.146 25104 16789 1 19 . 1 1 79 79 TYR C C 79 176.316 176.316 176.056 0.260 25104 16790 1 19 . 1 1 79 79 TYR CA C 79 56.216 56.216 58.007 -1.791 25104 16791 1 19 . 1 1 79 79 TYR CB C 79 38.891 38.891 37.879 1.012 25104 16792 1 19 . 1 1 79 79 TYR H H 79 8.058 8.058 7.970 0.088 25104 16793 1 19 . 1 1 80 80 GLY N N 80 106.521 106.521 108.072 -1.551 25104 16794 1 19 . 1 1 80 80 GLY CA C 80 46.021 46.021 45.550 0.471 25104 16795 1 19 . 1 1 80 80 GLY H H 80 7.152 7.152 7.552 -0.400 25104 16796 1 19 . 1 1 81 81 GLU N N 81 122.638 122.638 125.919 -3.281 25104 16797 1 19 . 1 1 81 81 GLU HA H 81 4.008 4.008 4.114 -0.106 25104 16798 1 19 . 1 1 81 81 GLU C C 81 176.729 176.729 176.449 0.280 25104 16799 1 19 . 1 1 81 81 GLU CA C 81 60.602 60.602 58.675 1.927 25104 16800 1 19 . 1 1 81 81 GLU CB C 81 29.927 29.927 30.117 -0.190 25104 16801 1 19 . 1 1 81 81 GLU H H 81 8.884 8.884 8.839 0.045 25104 16802 1 19 . 1 1 82 82 LYS N N 82 112.369 112.369 113.317 -0.948 25104 16803 1 19 . 1 1 82 82 LYS HA H 82 5.577 5.577 4.615 0.962 25104 16804 1 19 . 1 1 82 82 LYS C C 82 176.495 176.495 174.880 1.615 25104 16805 1 19 . 1 1 82 82 LYS CA C 82 53.906 53.906 55.599 -1.694 25104 16806 1 19 . 1 1 82 82 LYS CB C 82 36.614 36.614 34.965 1.649 25104 16807 1 19 . 1 1 82 82 LYS H H 82 7.845 7.845 7.716 0.129 25104 16808 1 19 . 1 1 83 83 PHE N N 83 116.638 116.638 114.250 2.388 25104 16809 1 19 . 1 1 83 83 PHE HA H 83 5.000 5.000 4.939 0.061 25104 16810 1 19 . 1 1 83 83 PHE C C 83 174.501 174.501 172.799 1.702 25104 16811 1 19 . 1 1 83 83 PHE CA C 83 56.032 56.032 56.309 -0.278 25104 16812 1 19 . 1 1 83 83 PHE CB C 83 41.258 41.258 41.551 -0.293 25104 16813 1 19 . 1 1 83 83 PHE H H 83 9.184 9.184 8.811 0.373 25104 16814 1 19 . 1 1 84 84 GLU N N 84 119.642 119.642 118.486 1.156 25104 16815 1 19 . 1 1 84 84 GLU HA H 84 3.862 3.862 4.432 -0.570 25104 16816 1 19 . 1 1 84 84 GLU C C 84 177.248 177.248 175.142 2.106 25104 16817 1 19 . 1 1 84 84 GLU CA C 84 56.452 56.452 54.685 1.767 25104 16818 1 19 . 1 1 84 84 GLU CB C 84 29.329 29.329 31.135 -1.806 25104 16819 1 19 . 1 1 84 84 GLU H H 84 9.294 9.294 8.314 0.980 25104 16820 1 19 . 1 1 85 85 ASP N N 85 118.870 118.870 122.265 -3.395 25104 16821 1 19 . 1 1 85 85 ASP HA H 85 4.285 4.285 4.680 -0.395 25104 16822 1 19 . 1 1 85 85 ASP C C 85 177.100 177.100 175.889 1.211 25104 16823 1 19 . 1 1 85 85 ASP CA C 85 54.486 54.486 55.245 -0.758 25104 16824 1 19 . 1 1 85 85 ASP CB C 85 40.954 40.954 41.668 -0.714 25104 16825 1 19 . 1 1 85 85 ASP H H 85 8.609 8.609 8.337 0.272 25104 16826 1 19 . 1 1 86 86 GLU N N 86 131.636 131.636 125.695 5.941 25104 16827 1 19 . 1 1 86 86 GLU HA H 86 3.851 3.851 4.182 -0.331 25104 16828 1 19 . 1 1 86 86 GLU C C 86 177.266 177.266 175.463 1.803 25104 16829 1 19 . 1 1 86 86 GLU CA C 86 60.354 60.354 57.521 2.833 25104 16830 1 19 . 1 1 86 86 GLU CB C 86 31.877 31.877 30.651 1.226 25104 16831 1 19 . 1 1 86 86 GLU H H 86 9.474 9.474 9.041 0.433 25104 16832 1 19 . 1 1 87 87 ASN N N 87 106.916 106.916 114.551 -7.635 25104 16833 1 19 . 1 1 87 87 ASN HA H 87 4.187 4.187 4.310 -0.123 25104 16834 1 19 . 1 1 87 87 ASN C C 87 171.751 171.751 174.244 -2.493 25104 16835 1 19 . 1 1 87 87 ASN CA C 87 52.828 52.828 52.116 0.712 25104 16836 1 19 . 1 1 87 87 ASN CB C 87 39.490 39.490 39.072 0.418 25104 16837 1 19 . 1 1 87 87 ASN H H 87 7.084 7.084 7.856 -0.772 25104 16838 1 19 . 1 1 88 88 PHE N N 88 113.116 113.116 120.098 -6.982 25104 16839 1 19 . 1 1 88 88 PHE HA H 88 5.964 5.964 4.845 1.119 25104 16840 1 19 . 1 1 88 88 PHE C C 88 178.688 178.688 175.332 3.356 25104 16841 1 19 . 1 1 88 88 PHE CA C 88 55.847 55.847 56.385 -0.538 25104 16842 1 19 . 1 1 88 88 PHE CB C 88 38.876 38.876 36.970 1.906 25104 16843 1 19 . 1 1 88 88 PHE H H 88 8.356 8.356 8.397 -0.041 25104 16844 1 19 . 1 1 89 89 ILE N N 89 119.794 119.794 119.944 -0.150 25104 16845 1 19 . 1 1 89 89 ILE HA H 89 3.726 3.726 3.941 -0.215 25104 16846 1 19 . 1 1 89 89 ILE C C 89 178.596 178.596 176.526 2.070 25104 16847 1 19 . 1 1 89 89 ILE CA C 89 64.996 64.996 62.983 2.013 25104 16848 1 19 . 1 1 89 89 ILE CB C 89 39.000 39.000 38.356 0.644 25104 16849 1 19 . 1 1 89 89 ILE H H 89 8.314 8.314 7.541 0.773 25104 16850 1 19 . 1 1 90 90 LEU N N 90 117.361 117.361 118.587 -1.226 25104 16851 1 19 . 1 1 90 90 LEU HA H 90 4.516 4.516 4.554 -0.038 25104 16852 1 19 . 1 1 90 90 LEU C C 90 177.345 177.345 175.743 1.602 25104 16853 1 19 . 1 1 90 90 LEU CA C 90 54.196 54.196 53.982 0.214 25104 16854 1 19 . 1 1 90 90 LEU CB C 90 42.100 42.100 43.356 -1.256 25104 16855 1 19 . 1 1 90 90 LEU H H 90 7.777 7.777 7.867 -0.090 25104 16856 1 19 . 1 1 91 91 LYS N N 91 119.096 119.096 116.538 2.558 25104 16857 1 19 . 1 1 91 91 LYS HA H 91 4.635 4.635 4.566 0.069 25104 16858 1 19 . 1 1 91 91 LYS C C 91 177.296 177.296 175.866 1.430 25104 16859 1 19 . 1 1 91 91 LYS CA C 91 54.689 54.689 55.383 -0.694 25104 16860 1 19 . 1 1 91 91 LYS CB C 91 34.841 34.841 34.452 0.389 25104 16861 1 19 . 1 1 91 91 LYS H H 91 8.086 8.086 7.954 0.132 25104 16862 1 19 . 1 1 92 92 HIS N N 92 122.578 122.578 119.347 3.231 25104 16863 1 19 . 1 1 92 92 HIS HA H 92 4.408 4.408 4.675 -0.267 25104 16864 1 19 . 1 1 92 92 HIS C C 92 178.794 178.794 174.716 4.078 25104 16865 1 19 . 1 1 92 92 HIS CA C 92 56.886 56.886 55.778 1.108 25104 16866 1 19 . 1 1 92 92 HIS CB C 92 26.041 26.041 29.230 -3.189 25104 16867 1 19 . 1 1 92 92 HIS H H 92 10.736 10.736 9.076 1.660 25104 16868 1 19 . 1 1 93 93 THR N N 93 110.479 110.479 116.208 -5.729 25104 16869 1 19 . 1 1 93 93 THR HA H 93 4.056 4.056 4.281 -0.225 25104 16870 1 19 . 1 1 93 93 THR C C 93 176.456 176.456 173.942 2.514 25104 16871 1 19 . 1 1 93 93 THR CA C 93 63.324 63.324 62.069 1.255 25104 16872 1 19 . 1 1 93 93 THR CB C 93 69.416 69.416 67.211 2.205 25104 16873 1 19 . 1 1 93 93 THR H H 93 7.315 7.315 7.631 -0.316 25104 16874 1 19 . 1 1 94 94 GLY N N 94 107.272 107.272 113.266 -5.994 25104 16875 1 19 . 1 1 94 94 GLY C C 94 178.117 178.117 171.638 6.479 25104 16876 1 19 . 1 1 94 94 GLY H H 94 7.530 7.530 7.571 -0.041 25104 16877 1 19 . 1 1 95 95 PRO HA H 95 3.856 3.856 4.474 -0.618 25104 16878 1 19 . 1 1 95 95 PRO CA C 95 62.687 62.687 62.411 0.276 25104 16879 1 19 . 1 1 95 95 PRO CB C 95 32.137 32.137 32.513 -0.376 25104 16880 1 19 . 1 1 96 96 GLY N N 96 110.210 110.210 109.930 0.280 25104 16881 1 19 . 1 1 96 96 GLY C C 96 174.025 174.025 174.709 -0.684 25104 16882 1 19 . 1 1 96 96 GLY CA C 96 45.068 45.068 45.292 -0.224 25104 16883 1 19 . 1 1 96 96 GLY H H 96 9.305 9.305 8.826 0.479 25104 16884 1 19 . 1 1 97 97 ILE N N 97 121.517 121.517 121.496 0.021 25104 16885 1 19 . 1 1 97 97 ILE HA H 97 4.173 4.173 4.165 0.008 25104 16886 1 19 . 1 1 97 97 ILE C C 97 174.196 174.196 174.709 -0.513 25104 16887 1 19 . 1 1 97 97 ILE CA C 97 59.398 59.398 59.678 -0.280 25104 16888 1 19 . 1 1 97 97 ILE CB C 97 37.922 37.922 35.866 2.056 25104 16889 1 19 . 1 1 97 97 ILE H H 97 6.826 6.826 7.597 -0.771 25104 16890 1 19 . 1 1 98 98 LEU N N 98 128.948 128.948 131.773 -2.825 25104 16891 1 19 . 1 1 98 98 LEU HA H 98 5.010 5.010 4.854 0.156 25104 16892 1 19 . 1 1 98 98 LEU C C 98 175.316 175.316 174.811 0.505 25104 16893 1 19 . 1 1 98 98 LEU CA C 98 53.350 53.350 53.446 -0.096 25104 16894 1 19 . 1 1 98 98 LEU CB C 98 43.813 43.813 43.338 0.475 25104 16895 1 19 . 1 1 98 98 LEU H H 98 7.907 7.907 8.070 -0.163 25104 16896 1 19 . 1 1 99 99 SER N N 99 118.834 118.834 121.541 -2.707 25104 16897 1 19 . 1 1 99 99 SER HA H 99 5.346 5.346 4.807 0.539 25104 16898 1 19 . 1 1 99 99 SER C C 99 175.732 175.732 173.032 2.700 25104 16899 1 19 . 1 1 99 99 SER CA C 99 55.011 55.011 56.667 -1.656 25104 16900 1 19 . 1 1 99 99 SER CB C 99 65.370 65.370 66.465 -1.095 25104 16901 1 19 . 1 1 99 99 SER H H 99 8.307 8.307 8.442 -0.135 25104 16902 1 19 . 1 1 100 100 MET N N 100 123.079 123.079 122.964 0.115 25104 16903 1 19 . 1 1 100 100 MET HA H 100 5.338 5.338 4.681 0.657 25104 16904 1 19 . 1 1 100 100 MET C C 100 178.920 178.920 175.362 3.558 25104 16905 1 19 . 1 1 100 100 MET CA C 100 53.853 53.853 56.109 -2.256 25104 16906 1 19 . 1 1 100 100 MET H H 100 8.563 8.563 9.336 -0.773 25104 16907 1 19 . 1 1 101 101 ALA N N 101 126.225 126.225 125.282 0.943 25104 16908 1 19 . 1 1 101 101 ALA HA H 101 4.362 4.362 4.684 -0.322 25104 16909 1 19 . 1 1 101 101 ALA C C 101 176.471 176.471 176.450 0.021 25104 16910 1 19 . 1 1 101 101 ALA CA C 101 51.743 51.743 52.446 -0.702 25104 16911 1 19 . 1 1 101 101 ALA CB C 101 19.619 19.619 19.989 -0.370 25104 16912 1 19 . 1 1 101 101 ALA H H 101 8.114 8.114 8.376 -0.262 25104 16913 1 19 . 1 1 102 102 ASN N N 102 113.398 113.398 115.557 -2.159 25104 16914 1 19 . 1 1 102 102 ASN HA H 102 4.647 4.647 4.774 -0.127 25104 16915 1 19 . 1 1 102 102 ASN C C 102 174.740 174.740 173.765 0.975 25104 16916 1 19 . 1 1 102 102 ASN CA C 102 54.102 54.102 52.497 1.605 25104 16917 1 19 . 1 1 102 102 ASN CB C 102 40.597 40.597 40.058 0.539 25104 16918 1 19 . 1 1 102 102 ASN H H 102 8.062 8.062 8.222 -0.160 25104 16919 1 19 . 1 1 103 103 ALA N N 103 123.487 123.487 121.599 1.888 25104 16920 1 19 . 1 1 103 103 ALA HA H 103 4.868 4.868 4.504 0.364 25104 16921 1 19 . 1 1 103 103 ALA C C 103 177.823 177.823 176.362 1.461 25104 16922 1 19 . 1 1 103 103 ALA CA C 103 50.380 50.380 52.175 -1.795 25104 16923 1 19 . 1 1 103 103 ALA CB C 103 19.295 19.295 19.421 -0.126 25104 16924 1 19 . 1 1 103 103 ALA H H 103 8.822 8.822 8.572 0.250 25104 16925 1 19 . 1 1 104 104 GLY N N 104 109.271 109.271 107.318 1.953 25104 16926 1 19 . 1 1 104 104 GLY CA C 104 43.559 43.559 44.753 -1.194 25104 16927 1 19 . 1 1 104 104 GLY H H 104 8.181 8.181 7.588 0.593 25104 16928 1 19 . 1 1 105 105 PRO HA H 105 4.385 4.385 4.716 -0.331 25104 16929 1 19 . 1 1 105 105 PRO C C 105 177.209 177.209 177.310 -0.101 25104 16930 1 19 . 1 1 105 105 PRO CA C 105 63.976 63.976 62.965 1.011 25104 16931 1 19 . 1 1 105 105 PRO CB C 105 32.136 32.136 32.078 0.058 25104 16932 1 19 . 1 1 106 106 ASN N N 106 119.146 119.146 118.001 1.145 25104 16933 1 19 . 1 1 106 106 ASN HA H 106 4.052 4.052 4.445 -0.393 25104 16934 1 19 . 1 1 106 106 ASN C C 106 175.857 175.857 174.742 1.115 25104 16935 1 19 . 1 1 106 106 ASN CA C 106 54.279 54.279 54.972 -0.693 25104 16936 1 19 . 1 1 106 106 ASN CB C 106 37.248 37.248 38.006 -0.758 25104 16937 1 19 . 1 1 106 106 ASN H H 106 8.912 8.912 9.166 -0.254 25104 16938 1 19 . 1 1 107 107 THR N N 107 110.101 110.101 111.874 -1.773 25104 16939 1 19 . 1 1 107 107 THR HA H 107 4.493 4.493 4.366 0.127 25104 16940 1 19 . 1 1 107 107 THR C C 107 174.713 174.713 173.370 1.343 25104 16941 1 19 . 1 1 107 107 THR CA C 107 60.294 60.294 62.450 -2.155 25104 16942 1 19 . 1 1 107 107 THR CB C 107 69.030 69.030 69.507 -0.477 25104 16943 1 19 . 1 1 107 107 THR H H 107 10.191 10.191 7.613 2.578 25104 16944 1 19 . 1 1 108 108 ASN N N 108 120.592 120.592 119.924 0.668 25104 16945 1 19 . 1 1 108 108 ASN HA H 108 4.210 4.210 4.666 -0.456 25104 16946 1 19 . 1 1 108 108 ASN C C 108 175.078 175.078 174.871 0.207 25104 16947 1 19 . 1 1 108 108 ASN CA C 108 55.287 55.287 52.380 2.907 25104 16948 1 19 . 1 1 108 108 ASN CB C 108 39.036 39.036 39.268 -0.232 25104 16949 1 19 . 1 1 108 108 ASN H H 108 7.410 7.410 7.337 0.073 25104 16950 1 19 . 1 1 109 109 GLY N N 109 110.835 110.835 111.501 -0.666 25104 16951 1 19 . 1 1 109 109 GLY C C 109 172.087 172.087 173.012 -0.925 25104 16952 1 19 . 1 1 109 109 GLY CA C 109 45.940 45.940 45.311 0.629 25104 16953 1 19 . 1 1 109 109 GLY H H 109 9.192 9.192 8.147 1.045 25104 16954 1 19 . 1 1 110 110 SER N N 110 117.149 117.149 116.206 0.943 25104 16955 1 19 . 1 1 110 110 SER HA H 110 4.751 4.751 4.962 -0.211 25104 16956 1 19 . 1 1 110 110 SER C C 110 177.075 177.075 174.228 2.847 25104 16957 1 19 . 1 1 110 110 SER CA C 110 57.526 57.526 57.104 0.422 25104 16958 1 19 . 1 1 110 110 SER CB C 110 66.180 66.180 65.821 0.359 25104 16959 1 19 . 1 1 110 110 SER H H 110 8.793 8.793 7.466 1.327 25104 16960 1 19 . 1 1 111 111 GLN N N 111 124.594 124.594 121.071 3.523 25104 16961 1 19 . 1 1 111 111 GLN HA H 111 4.225 4.225 4.098 0.127 25104 16962 1 19 . 1 1 111 111 GLN C C 111 179.174 179.174 174.866 4.308 25104 16963 1 19 . 1 1 111 111 GLN CA C 111 58.144 58.144 57.728 0.416 25104 16964 1 19 . 1 1 111 111 GLN CB C 111 31.558 31.558 28.790 2.768 25104 16965 1 19 . 1 1 111 111 GLN H H 111 8.438 8.438 8.700 -0.262 25104 16966 1 19 . 1 1 112 112 PHE N N 112 118.008 118.008 113.579 4.429 25104 16967 1 19 . 1 1 112 112 PHE HA H 112 5.806 5.806 5.207 0.599 25104 16968 1 19 . 1 1 112 112 PHE C C 112 172.840 172.840 173.191 -0.351 25104 16969 1 19 . 1 1 112 112 PHE CA C 112 55.584 55.584 55.837 -0.253 25104 16970 1 19 . 1 1 112 112 PHE CB C 112 43.323 43.323 42.096 1.226 25104 16971 1 19 . 1 1 112 112 PHE H H 112 8.120 8.120 8.001 0.119 25104 16972 1 19 . 1 1 113 113 PHE N N 113 116.406 116.406 116.850 -0.444 25104 16973 1 19 . 1 1 113 113 PHE HA H 113 5.739 5.739 5.240 0.499 25104 16974 1 19 . 1 1 113 113 PHE C C 113 175.349 175.349 173.511 1.838 25104 16975 1 19 . 1 1 113 113 PHE CA C 113 54.684 54.684 55.378 -0.694 25104 16976 1 19 . 1 1 113 113 PHE CB C 113 42.825 42.825 42.272 0.553 25104 16977 1 19 . 1 1 113 113 PHE H H 113 9.832 9.832 8.838 0.994 25104 16978 1 19 . 1 1 114 114 ILE N N 114 118.683 118.683 121.674 -2.991 25104 16979 1 19 . 1 1 114 114 ILE HA H 114 4.842 4.842 4.531 0.311 25104 16980 1 19 . 1 1 114 114 ILE C C 114 178.414 178.414 175.790 2.624 25104 16981 1 19 . 1 1 114 114 ILE CA C 114 60.265 60.265 60.006 0.259 25104 16982 1 19 . 1 1 114 114 ILE CB C 114 40.466 40.466 38.779 1.687 25104 16983 1 19 . 1 1 114 114 ILE H H 114 9.156 9.156 8.929 0.227 25104 16984 1 19 . 1 1 115 115 CYS N N 115 125.524 125.524 128.681 -3.157 25104 16985 1 19 . 1 1 115 115 CYS HA H 115 4.808 4.808 4.491 0.317 25104 16986 1 19 . 1 1 115 115 CYS C C 115 177.658 177.658 176.127 1.531 25104 16987 1 19 . 1 1 115 115 CYS CA C 115 60.803 60.803 59.719 1.084 25104 16988 1 19 . 1 1 115 115 CYS CB C 115 28.723 28.723 26.010 2.713 25104 16989 1 19 . 1 1 115 115 CYS H H 115 9.616 9.616 8.839 0.777 25104 16990 1 19 . 1 1 116 116 THR N N 116 115.801 115.801 118.837 -3.036 25104 16991 1 19 . 1 1 116 116 THR HA H 116 4.380 4.380 4.181 0.199 25104 16992 1 19 . 1 1 116 116 THR C C 116 178.496 178.496 174.740 3.756 25104 16993 1 19 . 1 1 116 116 THR CA C 116 60.844 60.844 63.974 -3.130 25104 16994 1 19 . 1 1 116 116 THR CB C 116 66.730 66.730 69.062 -2.332 25104 16995 1 19 . 1 1 116 116 THR H H 116 8.990 8.990 8.393 0.597 25104 16996 1 19 . 1 1 117 117 ALA N N 117 122.356 122.356 123.801 -1.445 25104 16997 1 19 . 1 1 117 117 ALA HA H 117 4.420 4.420 4.678 -0.258 25104 16998 1 19 . 1 1 117 117 ALA C C 117 176.114 176.114 175.556 0.558 25104 16999 1 19 . 1 1 117 117 ALA CA C 117 50.668 50.668 50.431 0.236 25104 17000 1 19 . 1 1 117 117 ALA CB C 117 22.795 22.795 20.926 1.869 25104 17001 1 19 . 1 1 117 117 ALA H H 117 7.641 7.641 7.568 0.073 25104 17002 1 19 . 1 1 118 118 LYS N N 118 119.855 119.855 118.594 1.261 25104 17003 1 19 . 1 1 118 118 LYS HA H 118 3.840 3.840 4.434 -0.594 25104 17004 1 19 . 1 1 118 118 LYS C C 118 177.211 177.211 176.166 1.045 25104 17005 1 19 . 1 1 118 118 LYS CA C 118 57.913 57.913 55.912 2.001 25104 17006 1 19 . 1 1 118 118 LYS CB C 118 32.708 32.708 30.659 2.049 25104 17007 1 19 . 1 1 118 118 LYS H H 118 8.693 8.693 8.542 0.151 25104 17008 1 19 . 1 1 119 119 THR N N 119 119.004 119.004 115.754 3.250 25104 17009 1 19 . 1 1 119 119 THR HA H 119 3.730 3.730 3.492 0.238 25104 17010 1 19 . 1 1 119 119 THR C C 119 177.928 177.928 174.935 2.993 25104 17011 1 19 . 1 1 119 119 THR CA C 119 57.301 57.301 60.619 -3.318 25104 17012 1 19 . 1 1 119 119 THR CB C 119 68.717 68.717 67.946 0.771 25104 17013 1 19 . 1 1 119 119 THR H H 119 7.373 7.373 8.139 -0.766 25104 17014 1 19 . 1 1 120 120 GLU N N 120 124.713 124.713 124.776 -0.063 25104 17015 1 19 . 1 1 120 120 GLU HA H 120 4.162 4.162 4.153 0.009 25104 17016 1 19 . 1 1 120 120 GLU C C 120 178.190 178.190 177.598 0.592 25104 17017 1 19 . 1 1 120 120 GLU CA C 120 59.334 59.334 58.163 1.171 25104 17018 1 19 . 1 1 120 120 GLU CB C 120 29.322 29.322 29.388 -0.066 25104 17019 1 19 . 1 1 120 120 GLU H H 120 9.139 9.139 7.790 1.349 25104 17020 1 19 . 1 1 121 121 TRP N N 121 117.782 117.782 117.605 0.177 25104 17021 1 19 . 1 1 121 121 TRP HA H 121 4.716 4.716 4.607 0.109 25104 17022 1 19 . 1 1 121 121 TRP C C 121 177.244 177.244 176.367 0.877 25104 17023 1 19 . 1 1 121 121 TRP CA C 121 59.748 59.748 56.814 2.934 25104 17024 1 19 . 1 1 121 121 TRP CB C 121 26.947 26.947 28.835 -1.888 25104 17025 1 19 . 1 1 121 121 TRP H H 121 7.297 7.297 7.592 -0.295 25104 17026 1 19 . 1 1 122 122 LEU N N 122 119.806 119.806 118.662 1.144 25104 17027 1 19 . 1 1 122 122 LEU HA H 122 4.315 4.315 4.236 0.079 25104 17028 1 19 . 1 1 122 122 LEU C C 122 173.304 173.304 176.560 -3.256 25104 17029 1 19 . 1 1 122 122 LEU CA C 122 54.543 54.543 54.469 0.074 25104 17030 1 19 . 1 1 122 122 LEU CB C 122 39.075 39.075 40.133 -1.058 25104 17031 1 19 . 1 1 122 122 LEU H H 122 7.037 7.037 6.774 0.263 25104 17032 1 19 . 1 1 123 123 ASP N N 123 122.205 122.205 120.664 1.541 25104 17033 1 19 . 1 1 123 123 ASP HA H 123 5.222 5.222 4.571 0.651 25104 17034 1 19 . 1 1 123 123 ASP C C 123 179.276 179.276 177.060 2.216 25104 17035 1 19 . 1 1 123 123 ASP CA C 123 55.889 55.889 55.340 0.549 25104 17036 1 19 . 1 1 123 123 ASP CB C 123 39.517 39.517 41.919 -2.402 25104 17037 1 19 . 1 1 123 123 ASP H H 123 7.643 7.643 7.387 0.256 25104 17038 1 19 . 1 1 124 124 GLY N N 124 111.205 111.205 108.990 2.215 25104 17039 1 19 . 1 1 124 124 GLY C C 124 173.148 173.148 173.932 -0.784 25104 17040 1 19 . 1 1 124 124 GLY CA C 124 45.114 45.114 45.908 -0.794 25104 17041 1 19 . 1 1 124 124 GLY H H 124 9.550 9.550 8.579 0.971 25104 17042 1 19 . 1 1 125 125 LYS N N 125 115.408 115.408 119.895 -4.487 25104 17043 1 19 . 1 1 125 125 LYS HA H 125 4.173 4.173 4.441 -0.268 25104 17044 1 19 . 1 1 125 125 LYS C C 125 176.351 176.351 175.673 0.678 25104 17045 1 19 . 1 1 125 125 LYS CA C 125 56.341 56.341 54.650 1.691 25104 17046 1 19 . 1 1 125 125 LYS CB C 125 35.504 35.504 34.886 0.618 25104 17047 1 19 . 1 1 125 125 LYS H H 125 7.765 7.765 7.398 0.367 25104 17048 1 19 . 1 1 126 126 HIS N N 126 119.526 119.526 116.000 3.526 25104 17049 1 19 . 1 1 126 126 HIS HA H 126 4.863 4.863 4.746 0.117 25104 17050 1 19 . 1 1 126 126 HIS C C 126 174.784 174.784 175.655 -0.871 25104 17051 1 19 . 1 1 126 126 HIS CA C 126 54.923 54.923 56.136 -1.213 25104 17052 1 19 . 1 1 126 126 HIS CB C 126 31.675 31.675 30.292 1.383 25104 17053 1 19 . 1 1 126 126 HIS H H 126 7.600 7.600 8.697 -1.097 25104 17054 1 19 . 1 1 127 127 VAL N N 127 125.009 125.009 121.071 3.938 25104 17055 1 19 . 1 1 127 127 VAL HA H 127 4.307 4.307 4.072 0.235 25104 17056 1 19 . 1 1 127 127 VAL C C 127 176.442 176.442 175.714 0.728 25104 17057 1 19 . 1 1 127 127 VAL CA C 127 63.893 63.893 63.458 0.435 25104 17058 1 19 . 1 1 127 127 VAL CB C 127 33.553 33.553 32.255 1.298 25104 17059 1 19 . 1 1 127 127 VAL H H 127 8.523 8.523 8.173 0.350 25104 17060 1 19 . 1 1 128 128 VAL N N 128 133.065 133.065 122.467 10.598 25104 17061 1 19 . 1 1 128 128 VAL HA H 128 4.176 4.176 3.883 0.293 25104 17062 1 19 . 1 1 128 128 VAL C C 128 176.113 176.113 175.780 0.333 25104 17063 1 19 . 1 1 128 128 VAL CA C 128 63.172 63.172 62.894 0.278 25104 17064 1 19 . 1 1 128 128 VAL CB C 128 31.612 31.612 32.485 -0.873 25104 17065 1 19 . 1 1 128 128 VAL H H 128 9.474 9.474 8.086 1.388 25104 17066 1 19 . 1 1 129 129 PHE N N 129 117.892 117.892 116.433 1.459 25104 17067 1 19 . 1 1 129 129 PHE HA H 129 5.308 5.308 4.953 0.355 25104 17068 1 19 . 1 1 129 129 PHE C C 129 173.725 173.725 174.309 -0.584 25104 17069 1 19 . 1 1 129 129 PHE CA C 129 55.969 55.969 57.185 -1.216 25104 17070 1 19 . 1 1 129 129 PHE CB C 129 42.581 42.581 40.796 1.785 25104 17071 1 19 . 1 1 129 129 PHE H H 129 8.138 8.138 8.017 0.121 25104 17072 1 19 . 1 1 130 130 GLY N N 130 110.747 110.747 106.434 4.313 25104 17073 1 19 . 1 1 130 130 GLY C C 130 171.591 171.591 172.066 -0.475 25104 17074 1 19 . 1 1 130 130 GLY CA C 130 46.505 46.505 43.236 3.269 25104 17075 1 19 . 1 1 130 130 GLY H H 130 7.356 7.356 7.286 0.070 25104 17076 1 19 . 1 1 131 131 LYS N N 131 115.453 115.453 121.420 -5.967 25104 17077 1 19 . 1 1 131 131 LYS HA H 131 5.246 5.246 5.051 0.195 25104 17078 1 19 . 1 1 131 131 LYS C C 131 176.109 176.109 175.863 0.246 25104 17079 1 19 . 1 1 131 131 LYS CA C 131 54.887 54.887 55.296 -0.409 25104 17080 1 19 . 1 1 131 131 LYS CB C 131 36.077 36.077 36.469 -0.393 25104 17081 1 19 . 1 1 131 131 LYS H H 131 8.390 8.390 8.006 0.384 25104 17082 1 19 . 1 1 132 132 VAL N N 132 124.311 124.311 128.807 -4.496 25104 17083 1 19 . 1 1 132 132 VAL HA H 132 3.955 3.955 3.835 0.120 25104 17084 1 19 . 1 1 132 132 VAL C C 132 176.489 176.489 176.627 -0.138 25104 17085 1 19 . 1 1 132 132 VAL CA C 132 64.284 64.284 63.631 0.653 25104 17086 1 19 . 1 1 132 132 VAL CB C 132 32.709 32.709 29.666 3.043 25104 17087 1 19 . 1 1 132 132 VAL H H 132 9.071 9.071 8.854 0.217 25104 17088 1 19 . 1 1 133 133 LYS N N 133 131.670 131.670 126.925 4.745 25104 17089 1 19 . 1 1 133 133 LYS HA H 133 4.483 4.483 4.283 0.200 25104 17090 1 19 . 1 1 133 133 LYS C C 133 176.283 176.283 176.802 -0.519 25104 17091 1 19 . 1 1 133 133 LYS CA C 133 56.978 56.978 57.046 -0.068 25104 17092 1 19 . 1 1 133 133 LYS CB C 133 34.028 34.028 33.368 0.660 25104 17093 1 19 . 1 1 133 133 LYS H H 133 9.494 9.494 8.369 1.125 25104 17094 1 19 . 1 1 134 134 GLU N N 134 118.417 118.417 118.307 0.110 25104 17095 1 19 . 1 1 134 134 GLU HA H 134 4.639 4.639 4.464 0.175 25104 17096 1 19 . 1 1 134 134 GLU C C 134 175.925 175.925 175.357 0.568 25104 17097 1 19 . 1 1 134 134 GLU CA C 134 55.235 55.235 55.411 -0.176 25104 17098 1 19 . 1 1 134 134 GLU CB C 134 32.909 32.909 32.881 0.028 25104 17099 1 19 . 1 1 134 134 GLU H H 134 7.571 7.571 7.989 -0.418 25104 17100 1 19 . 1 1 135 135 GLY N N 135 108.109 108.109 108.863 -0.754 25104 17101 1 19 . 1 1 135 135 GLY C C 135 178.060 178.060 174.903 3.157 25104 17102 1 19 . 1 1 135 135 GLY CA C 135 46.195 46.195 45.892 0.304 25104 17103 1 19 . 1 1 135 135 GLY H H 135 8.695 8.695 8.591 0.104 25104 17104 1 19 . 1 1 136 136 MET N N 136 122.582 122.582 119.283 3.299 25104 17105 1 19 . 1 1 136 136 MET HA H 136 4.496 4.496 4.096 0.400 25104 17106 1 19 . 1 1 136 136 MET C C 136 178.649 178.649 176.817 1.832 25104 17107 1 19 . 1 1 136 136 MET CA C 136 56.829 56.829 55.801 1.028 25104 17108 1 19 . 1 1 136 136 MET CB C 136 30.215 30.215 32.299 -2.084 25104 17109 1 19 . 1 1 136 136 MET H H 136 8.854 8.854 8.295 0.559 25104 17110 1 19 . 1 1 137 137 ASN N N 137 114.457 114.457 117.742 -3.285 25104 17111 1 19 . 1 1 137 137 ASN HA H 137 4.504 4.504 4.444 0.060 25104 17112 1 19 . 1 1 137 137 ASN C C 137 178.441 178.441 177.574 0.867 25104 17113 1 19 . 1 1 137 137 ASN CA C 137 55.819 55.819 56.469 -0.650 25104 17114 1 19 . 1 1 137 137 ASN CB C 137 36.016 36.016 37.844 -1.828 25104 17115 1 19 . 1 1 137 137 ASN H H 137 8.932 8.932 8.726 0.206 25104 17116 1 19 . 1 1 138 138 ILE N N 138 124.190 124.190 119.041 5.149 25104 17117 1 19 . 1 1 138 138 ILE HA H 138 3.800 3.800 3.893 -0.093 25104 17118 1 19 . 1 1 138 138 ILE C C 138 178.595 178.595 177.614 0.981 25104 17119 1 19 . 1 1 138 138 ILE CA C 138 61.581 61.581 62.879 -1.298 25104 17120 1 19 . 1 1 138 138 ILE CB C 138 34.468 34.468 36.915 -2.447 25104 17121 1 19 . 1 1 138 138 ILE H H 138 7.686 7.686 7.330 0.356 25104 17122 1 19 . 1 1 139 139 VAL N N 139 121.912 121.912 120.736 1.176 25104 17123 1 19 . 1 1 139 139 VAL HA H 139 3.879 3.879 3.647 0.232 25104 17124 1 19 . 1 1 139 139 VAL C C 139 179.051 179.051 178.563 0.488 25104 17125 1 19 . 1 1 139 139 VAL CA C 139 66.206 66.206 66.439 -0.232 25104 17126 1 19 . 1 1 139 139 VAL CB C 139 31.195 31.195 30.688 0.507 25104 17127 1 19 . 1 1 139 139 VAL H H 139 7.286 7.286 7.570 -0.284 25104 17128 1 19 . 1 1 140 140 GLU N N 140 117.357 117.357 118.894 -1.537 25104 17129 1 19 . 1 1 140 140 GLU HA H 140 4.095 4.095 4.082 0.013 25104 17130 1 19 . 1 1 140 140 GLU C C 140 180.486 180.486 178.787 1.699 25104 17131 1 19 . 1 1 140 140 GLU CA C 140 59.336 59.336 58.886 0.450 25104 17132 1 19 . 1 1 140 140 GLU CB C 140 30.199 30.199 29.363 0.836 25104 17133 1 19 . 1 1 140 140 GLU H H 140 8.309 8.309 8.081 0.228 25104 17134 1 19 . 1 1 141 141 ALA N N 141 121.133 121.133 121.859 -0.726 25104 17135 1 19 . 1 1 141 141 ALA HA H 141 4.118 4.118 4.068 0.050 25104 17136 1 19 . 1 1 141 141 ALA C C 141 181.524 181.524 179.883 1.641 25104 17137 1 19 . 1 1 141 141 ALA CA C 141 54.771 54.771 54.875 -0.104 25104 17138 1 19 . 1 1 141 141 ALA CB C 141 18.207 18.207 18.505 -0.298 25104 17139 1 19 . 1 1 141 141 ALA H H 141 7.539 7.539 7.727 -0.188 25104 17140 1 19 . 1 1 142 142 MET N N 142 117.513 117.513 116.376 1.137 25104 17141 1 19 . 1 1 142 142 MET HA H 142 3.993 3.993 4.587 -0.594 25104 17142 1 19 . 1 1 142 142 MET C C 142 178.862 178.862 178.296 0.566 25104 17143 1 19 . 1 1 142 142 MET CA C 142 59.678 59.678 58.528 1.150 25104 17144 1 19 . 1 1 142 142 MET CB C 142 33.723 33.723 32.252 1.471 25104 17145 1 19 . 1 1 142 142 MET H H 142 8.284 8.284 8.159 0.125 25104 17146 1 19 . 1 1 143 143 GLU N N 143 116.365 116.365 121.104 -4.739 25104 17147 1 19 . 1 1 143 143 GLU HA H 143 3.772 3.772 3.997 -0.225 25104 17148 1 19 . 1 1 143 143 GLU C C 143 179.051 179.051 178.711 0.340 25104 17149 1 19 . 1 1 143 143 GLU CA C 143 59.345 59.345 59.623 -0.278 25104 17150 1 19 . 1 1 143 143 GLU CB C 143 30.470 30.470 29.329 1.141 25104 17151 1 19 . 1 1 143 143 GLU H H 143 7.853 7.853 8.157 -0.304 25104 17152 1 19 . 1 1 144 144 ARG N N 144 114.753 114.753 116.891 -2.138 25104 17153 1 19 . 1 1 144 144 ARG HA H 144 3.978 3.978 4.048 -0.070 25104 17154 1 19 . 1 1 144 144 ARG C C 144 178.222 178.222 177.660 0.562 25104 17155 1 19 . 1 1 144 144 ARG CA C 144 57.669 57.669 57.914 -0.245 25104 17156 1 19 . 1 1 144 144 ARG CB C 144 29.523 29.523 30.017 -0.494 25104 17157 1 19 . 1 1 144 144 ARG H H 144 7.082 7.082 7.299 -0.217 25104 17158 1 19 . 1 1 145 145 PHE N N 145 115.388 115.388 116.624 -1.236 25104 17159 1 19 . 1 1 145 145 PHE HA H 145 4.851 4.851 4.535 0.316 25104 17160 1 19 . 1 1 145 145 PHE C C 145 176.868 176.868 175.306 1.562 25104 17161 1 19 . 1 1 145 145 PHE CA C 145 57.717 57.717 58.694 -0.977 25104 17162 1 19 . 1 1 145 145 PHE CB C 145 38.998 38.998 38.844 0.154 25104 17163 1 19 . 1 1 145 145 PHE H H 145 7.651 7.651 7.301 0.350 25104 17164 1 19 . 1 1 146 146 GLY N N 146 104.842 104.842 106.388 -1.546 25104 17165 1 19 . 1 1 146 146 GLY C C 146 172.946 172.946 173.452 -0.506 25104 17166 1 19 . 1 1 146 146 GLY CA C 146 44.065 44.065 44.203 -0.138 25104 17167 1 19 . 1 1 146 146 GLY H H 146 7.551 7.551 7.531 0.020 25104 17168 1 19 . 1 1 147 147 SER N N 147 110.079 110.079 113.204 -3.125 25104 17169 1 19 . 1 1 147 147 SER HA H 147 4.813 4.813 4.904 -0.091 25104 17170 1 19 . 1 1 147 147 SER C C 147 176.384 176.384 174.704 1.680 25104 17171 1 19 . 1 1 147 147 SER CA C 147 58.165 58.165 56.725 1.440 25104 17172 1 19 . 1 1 147 147 SER CB C 147 65.804 65.804 67.029 -1.226 25104 17173 1 19 . 1 1 147 147 SER H H 147 8.229 8.229 8.113 0.116 25104 17174 1 19 . 1 1 148 148 ARG N N 148 120.299 120.299 121.339 -1.040 25104 17175 1 19 . 1 1 148 148 ARG HA H 148 4.221 4.221 4.113 0.108 25104 17176 1 19 . 1 1 148 148 ARG C C 148 177.709 177.709 177.201 0.508 25104 17177 1 19 . 1 1 148 148 ARG CA C 148 59.810 59.810 58.929 0.881 25104 17178 1 19 . 1 1 148 148 ARG CB C 148 29.896 29.896 29.875 0.021 25104 17179 1 19 . 1 1 148 148 ARG H H 148 8.850 8.850 8.660 0.190 25104 17180 1 19 . 1 1 149 149 ASN N N 149 111.689 111.689 113.798 -2.109 25104 17181 1 19 . 1 1 149 149 ASN HA H 149 4.901 4.901 4.611 0.290 25104 17182 1 19 . 1 1 149 149 ASN C C 149 177.708 177.708 175.980 1.728 25104 17183 1 19 . 1 1 149 149 ASN CA C 149 52.305 52.305 53.343 -1.038 25104 17184 1 19 . 1 1 149 149 ASN CB C 149 38.477 38.477 37.977 0.500 25104 17185 1 19 . 1 1 149 149 ASN H H 149 7.891 7.891 8.058 -0.167 25104 17186 1 19 . 1 1 150 150 GLY N N 150 110.138 110.138 107.489 2.649 25104 17187 1 19 . 1 1 150 150 GLY C C 150 174.368 174.368 173.462 0.906 25104 17188 1 19 . 1 1 150 150 GLY CA C 150 45.257 45.257 44.803 0.454 25104 17189 1 19 . 1 1 150 150 GLY H H 150 8.087 8.087 7.948 0.139 25104 17190 1 19 . 1 1 151 151 LYS N N 151 119.859 119.859 123.360 -3.501 25104 17191 1 19 . 1 1 151 151 LYS HA H 151 4.466 4.466 4.371 0.095 25104 17192 1 19 . 1 1 151 151 LYS C C 151 179.533 179.533 175.909 3.624 25104 17193 1 19 . 1 1 151 151 LYS CA C 151 57.088 57.088 56.556 0.532 25104 17194 1 19 . 1 1 151 151 LYS CB C 151 32.435 32.435 33.382 -0.947 25104 17195 1 19 . 1 1 151 151 LYS H H 151 7.534 7.534 7.831 -0.297 25104 17196 1 19 . 1 1 152 152 THR N N 152 116.442 116.442 117.612 -1.170 25104 17197 1 19 . 1 1 152 152 THR HA H 152 5.579 5.579 4.908 0.671 25104 17198 1 19 . 1 1 152 152 THR C C 152 176.969 176.969 175.105 1.864 25104 17199 1 19 . 1 1 152 152 THR CA C 152 60.097 60.097 60.478 -0.381 25104 17200 1 19 . 1 1 152 152 THR CB C 152 71.324 71.324 69.801 1.523 25104 17201 1 19 . 1 1 152 152 THR H H 152 8.837 8.837 8.313 0.524 25104 17202 1 19 . 1 1 153 153 SER N N 153 117.113 117.113 120.427 -3.314 25104 17203 1 19 . 1 1 153 153 SER HA H 153 4.574 4.574 4.359 0.215 25104 17204 1 19 . 1 1 153 153 SER C C 153 175.737 175.737 173.874 1.863 25104 17205 1 19 . 1 1 153 153 SER CA C 153 58.222 58.222 59.836 -1.614 25104 17206 1 19 . 1 1 153 153 SER CB C 153 63.922 63.922 63.632 0.290 25104 17207 1 19 . 1 1 153 153 SER H H 153 9.424 9.424 8.871 0.553 25104 17208 1 19 . 1 1 154 154 LYS N N 154 119.347 119.347 120.127 -0.780 25104 17209 1 19 . 1 1 154 154 LYS HA H 154 4.594 4.594 4.570 0.024 25104 17210 1 19 . 1 1 154 154 LYS C C 154 175.436 175.436 175.230 0.206 25104 17211 1 19 . 1 1 154 154 LYS CA C 154 54.578 54.578 53.936 0.642 25104 17212 1 19 . 1 1 154 154 LYS CB C 154 38.443 38.443 34.348 4.095 25104 17213 1 19 . 1 1 154 154 LYS H H 154 7.566 7.566 7.605 -0.039 25104 17214 1 19 . 1 1 155 155 LYS N N 155 121.869 121.869 125.196 -3.327 25104 17215 1 19 . 1 1 155 155 LYS HA H 155 4.348 4.348 4.396 -0.048 25104 17216 1 19 . 1 1 155 155 LYS C C 155 176.946 176.946 175.848 1.098 25104 17217 1 19 . 1 1 155 155 LYS CA C 155 56.325 56.325 56.077 0.249 25104 17218 1 19 . 1 1 155 155 LYS CB C 155 32.136 32.136 31.965 0.171 25104 17219 1 19 . 1 1 155 155 LYS H H 155 8.820 8.820 8.511 0.309 25104 17220 1 19 . 1 1 156 156 ILE N N 156 134.145 134.145 127.360 6.785 25104 17221 1 19 . 1 1 156 156 ILE HA H 156 5.134 5.134 4.558 0.576 25104 17222 1 19 . 1 1 156 156 ILE C C 156 177.451 177.451 176.183 1.268 25104 17223 1 19 . 1 1 156 156 ILE CA C 156 59.538 59.538 60.867 -1.329 25104 17224 1 19 . 1 1 156 156 ILE CB C 156 37.167 37.167 37.250 -0.083 25104 17225 1 19 . 1 1 156 156 ILE H H 156 9.609 9.609 8.153 1.456 25104 17226 1 19 . 1 1 157 157 THR N N 157 117.447 117.447 118.289 -0.842 25104 17227 1 19 . 1 1 157 157 THR HA H 157 5.311 5.311 5.074 0.237 25104 17228 1 19 . 1 1 157 157 THR C C 157 174.572 174.572 174.688 -0.116 25104 17229 1 19 . 1 1 157 157 THR CA C 157 59.679 59.679 59.520 0.159 25104 17230 1 19 . 1 1 157 157 THR CB C 157 72.708 72.708 71.069 1.639 25104 17231 1 19 . 1 1 157 157 THR H H 157 9.281 9.281 8.667 0.614 25104 17232 1 19 . 1 1 158 158 ILE N N 158 121.950 121.950 124.513 -2.563 25104 17233 1 19 . 1 1 158 158 ILE HA H 158 4.293 4.293 4.253 0.040 25104 17234 1 19 . 1 1 158 158 ILE C C 158 175.631 175.631 176.835 -1.204 25104 17235 1 19 . 1 1 158 158 ILE CA C 158 60.992 60.992 62.060 -1.068 25104 17236 1 19 . 1 1 158 158 ILE CB C 158 36.826 36.826 36.450 0.376 25104 17237 1 19 . 1 1 158 158 ILE H H 158 8.624 8.624 8.277 0.347 25104 17238 1 19 . 1 1 159 159 ALA N N 159 132.727 132.727 131.080 1.647 25104 17239 1 19 . 1 1 159 159 ALA HA H 159 4.179 4.179 4.054 0.125 25104 17240 1 19 . 1 1 159 159 ALA C C 159 179.489 179.489 176.838 2.651 25104 17241 1 19 . 1 1 159 159 ALA CA C 159 54.243 54.243 54.441 -0.198 25104 17242 1 19 . 1 1 159 159 ALA CB C 159 18.804 18.804 19.435 -0.631 25104 17243 1 19 . 1 1 159 159 ALA H H 159 8.910 8.910 8.616 0.294 25104 17244 1 19 . 1 1 160 160 ASP N N 160 111.561 111.561 112.079 -0.518 25104 17245 1 19 . 1 1 160 160 ASP HA H 160 4.937 4.937 4.928 0.009 25104 17246 1 19 . 1 1 160 160 ASP C C 160 173.920 173.920 174.415 -0.495 25104 17247 1 19 . 1 1 160 160 ASP CA C 160 52.873 52.873 53.546 -0.673 25104 17248 1 19 . 1 1 160 160 ASP CB C 160 43.620 43.620 42.929 0.691 25104 17249 1 19 . 1 1 160 160 ASP H H 160 8.107 8.107 7.591 0.516 25104 17250 1 19 . 1 1 161 161 CYS N N 161 116.145 116.145 117.323 -1.178 25104 17251 1 19 . 1 1 161 161 CYS HA H 161 4.626 4.626 5.752 -1.126 25104 17252 1 19 . 1 1 161 161 CYS C C 161 173.426 173.426 174.428 -1.002 25104 17253 1 19 . 1 1 161 161 CYS CA C 161 55.518 55.518 56.183 -0.665 25104 17254 1 19 . 1 1 161 161 CYS CB C 161 31.463 31.463 32.465 -1.002 25104 17255 1 19 . 1 1 161 161 CYS H H 161 8.640 8.640 8.675 -0.035 25104 17256 1 19 . 1 1 162 162 GLY N N 162 104.114 104.114 107.374 -3.260 25104 17257 1 19 . 1 1 162 162 GLY C C 162 171.116 171.116 173.507 -2.391 25104 17258 1 19 . 1 1 162 162 GLY CA C 162 45.436 45.436 44.900 0.536 25104 17259 1 19 . 1 1 162 162 GLY H H 162 6.889 6.889 8.504 -1.615 25104 17260 1 19 . 1 1 163 163 GLN N N 163 121.022 121.022 118.962 2.060 25104 17261 1 19 . 1 1 163 163 GLN HA H 163 5.150 5.150 4.234 0.916 25104 17262 1 19 . 1 1 163 163 GLN C C 163 176.548 176.548 175.705 0.843 25104 17263 1 19 . 1 1 163 163 GLN CA C 163 54.794 54.794 55.737 -0.943 25104 17264 1 19 . 1 1 163 163 GLN CB C 163 30.765 30.765 29.125 1.640 25104 17265 1 19 . 1 1 163 163 GLN H H 163 9.062 9.062 7.997 1.065 25104 17266 1 19 . 1 1 164 164 LEU N N 164 126.034 126.034 127.840 -1.806 25104 17267 1 19 . 1 1 164 164 LEU HA H 164 4.641 4.641 4.119 0.522 25104 17268 1 19 . 1 1 164 164 LEU C C 164 177.108 177.108 175.989 1.119 25104 17269 1 19 . 1 1 164 164 LEU CA C 164 55.036 55.036 55.412 -0.376 25104 17270 1 19 . 1 1 164 164 LEU CB C 164 43.560 43.560 40.134 3.426 25104 17271 1 19 . 1 1 164 164 LEU H H 164 8.639 8.639 8.299 0.340 25104 17272 1 20 . 1 1 2 2 VAL N N 2 111.261 111.261 122.991 -11.730 25104 17273 1 20 . 1 1 2 2 VAL HA H 2 4.126 4.126 3.930 0.196 25104 17274 1 20 . 1 1 2 2 VAL C C 2 176.404 176.404 174.471 1.933 25104 17275 1 20 . 1 1 2 2 VAL CA C 2 61.417 61.417 62.542 -1.125 25104 17276 1 20 . 1 1 2 2 VAL CB C 2 33.763 33.763 30.073 3.690 25104 17277 1 20 . 1 1 2 2 VAL H H 2 8.447 8.447 8.647 -0.200 25104 17278 1 20 . 1 1 3 3 ASN N N 3 126.056 126.056 124.133 1.923 25104 17279 1 20 . 1 1 3 3 ASN HA H 3 5.205 5.205 5.556 -0.351 25104 17280 1 20 . 1 1 3 3 ASN CA C 3 50.987 50.987 50.777 0.210 25104 17281 1 20 . 1 1 3 3 ASN CB C 3 38.031 38.031 40.266 -2.235 25104 17282 1 20 . 1 1 3 3 ASN H H 3 8.666 8.666 7.855 0.811 25104 17283 1 20 . 1 1 4 4 PRO HA H 4 4.818 4.818 4.530 0.288 25104 17284 1 20 . 1 1 4 4 PRO C C 4 176.242 176.242 175.979 0.263 25104 17285 1 20 . 1 1 4 4 PRO CA C 4 62.832 62.832 62.493 0.339 25104 17286 1 20 . 1 1 4 4 PRO CB C 4 33.162 33.162 32.981 0.181 25104 17287 1 20 . 1 1 5 5 THR N N 5 115.265 115.265 119.754 -4.489 25104 17288 1 20 . 1 1 5 5 THR HA H 5 5.759 5.759 4.952 0.807 25104 17289 1 20 . 1 1 5 5 THR C C 5 176.483 176.483 174.187 2.296 25104 17290 1 20 . 1 1 5 5 THR CA C 5 60.867 60.867 62.112 -1.245 25104 17291 1 20 . 1 1 5 5 THR CB C 5 71.050 71.050 70.167 0.883 25104 17292 1 20 . 1 1 5 5 THR H H 5 8.787 8.787 8.043 0.744 25104 17293 1 20 . 1 1 6 6 VAL N N 6 120.640 120.640 125.392 -4.752 25104 17294 1 20 . 1 1 6 6 VAL HA H 6 5.379 5.379 4.213 1.166 25104 17295 1 20 . 1 1 6 6 VAL C C 6 174.710 174.710 174.296 0.414 25104 17296 1 20 . 1 1 6 6 VAL CA C 6 58.881 58.881 60.958 -2.077 25104 17297 1 20 . 1 1 6 6 VAL CB C 6 36.180 36.180 33.397 2.783 25104 17298 1 20 . 1 1 6 6 VAL H H 6 8.805 8.805 8.270 0.535 25104 17299 1 20 . 1 1 7 7 PHE N N 7 119.359 119.359 126.503 -7.144 25104 17300 1 20 . 1 1 7 7 PHE HA H 7 5.948 5.948 5.085 0.863 25104 17301 1 20 . 1 1 7 7 PHE C C 7 173.634 173.634 173.371 0.263 25104 17302 1 20 . 1 1 7 7 PHE CA C 7 55.925 55.925 56.243 -0.318 25104 17303 1 20 . 1 1 7 7 PHE CB C 7 43.166 43.166 42.202 0.964 25104 17304 1 20 . 1 1 7 7 PHE H H 7 8.995 8.995 8.369 0.626 25104 17305 1 20 . 1 1 8 8 PHE N N 8 117.097 117.097 124.332 -7.235 25104 17306 1 20 . 1 1 8 8 PHE HA H 8 5.367 5.367 5.155 0.212 25104 17307 1 20 . 1 1 8 8 PHE C C 8 176.000 176.000 174.039 1.961 25104 17308 1 20 . 1 1 8 8 PHE CA C 8 53.460 53.460 54.705 -1.245 25104 17309 1 20 . 1 1 8 8 PHE CB C 8 42.791 42.791 43.453 -0.662 25104 17310 1 20 . 1 1 8 8 PHE H H 8 9.571 9.571 8.755 0.816 25104 17311 1 20 . 1 1 9 9 ASP N N 9 124.287 124.287 122.030 2.257 25104 17312 1 20 . 1 1 9 9 ASP HA H 9 5.585 5.585 5.050 0.535 25104 17313 1 20 . 1 1 9 9 ASP C C 9 176.286 176.286 174.935 1.351 25104 17314 1 20 . 1 1 9 9 ASP CA C 9 54.831 54.831 53.706 1.125 25104 17315 1 20 . 1 1 9 9 ASP CB C 9 41.366 41.366 42.774 -1.408 25104 17316 1 20 . 1 1 9 9 ASP H H 9 9.301 9.301 8.574 0.727 25104 17317 1 20 . 1 1 10 10 ILE N N 10 124.286 124.286 124.008 0.278 25104 17318 1 20 . 1 1 10 10 ILE HA H 10 5.213 5.213 4.263 0.950 25104 17319 1 20 . 1 1 10 10 ILE C C 10 177.031 177.031 174.783 2.248 25104 17320 1 20 . 1 1 10 10 ILE CA C 10 58.233 58.233 59.517 -1.284 25104 17321 1 20 . 1 1 10 10 ILE CB C 10 37.769 37.769 36.971 0.798 25104 17322 1 20 . 1 1 10 10 ILE H H 10 9.059 9.059 8.319 0.740 25104 17323 1 20 . 1 1 11 11 ALA N N 11 132.503 132.503 130.903 1.600 25104 17324 1 20 . 1 1 11 11 ALA HA H 11 5.216 5.216 5.048 0.168 25104 17325 1 20 . 1 1 11 11 ALA C C 11 175.928 175.928 175.732 0.196 25104 17326 1 20 . 1 1 11 11 ALA CA C 11 50.948 50.948 50.154 0.794 25104 17327 1 20 . 1 1 11 11 ALA CB C 11 22.804 22.804 22.520 0.284 25104 17328 1 20 . 1 1 11 11 ALA H H 11 9.642 9.642 9.008 0.634 25104 17329 1 20 . 1 1 12 12 VAL N N 12 118.551 118.551 121.374 -2.823 25104 17330 1 20 . 1 1 12 12 VAL HA H 12 4.578 4.578 4.615 -0.037 25104 17331 1 20 . 1 1 12 12 VAL C C 12 177.347 177.347 176.389 0.958 25104 17332 1 20 . 1 1 12 12 VAL CA C 12 60.457 60.457 60.526 -0.069 25104 17333 1 20 . 1 1 12 12 VAL CB C 12 33.301 33.301 34.654 -1.353 25104 17334 1 20 . 1 1 12 12 VAL H H 12 8.984 8.984 8.459 0.525 25104 17335 1 20 . 1 1 13 13 ASP N N 13 131.009 131.009 127.783 3.226 25104 17336 1 20 . 1 1 13 13 ASP HA H 13 4.359 4.359 4.228 0.131 25104 17337 1 20 . 1 1 13 13 ASP C C 13 176.795 176.795 176.758 0.037 25104 17338 1 20 . 1 1 13 13 ASP CA C 13 55.880 55.880 55.555 0.325 25104 17339 1 20 . 1 1 13 13 ASP CB C 13 39.999 39.999 39.643 0.356 25104 17340 1 20 . 1 1 13 13 ASP H H 13 9.868 9.868 9.104 0.764 25104 17341 1 20 . 1 1 14 14 GLY N N 14 101.848 101.848 104.735 -2.887 25104 17342 1 20 . 1 1 14 14 GLY C C 14 174.700 174.700 174.199 0.501 25104 17343 1 20 . 1 1 14 14 GLY CA C 14 45.303 45.303 45.431 -0.128 25104 17344 1 20 . 1 1 14 14 GLY H H 14 8.578 8.578 8.251 0.327 25104 17345 1 20 . 1 1 15 15 GLU N N 15 123.331 123.331 121.595 1.736 25104 17346 1 20 . 1 1 15 15 GLU HA H 15 4.891 4.891 4.791 0.100 25104 17347 1 20 . 1 1 15 15 GLU CA C 15 52.932 52.932 52.762 0.170 25104 17348 1 20 . 1 1 15 15 GLU CB C 15 30.468 30.468 29.942 0.526 25104 17349 1 20 . 1 1 15 15 GLU H H 15 8.086 8.086 7.587 0.499 25104 17350 1 20 . 1 1 16 16 PRO HA H 16 4.240 4.240 4.425 -0.185 25104 17351 1 20 . 1 1 16 16 PRO C C 16 177.072 177.072 175.956 1.116 25104 17352 1 20 . 1 1 16 16 PRO CA C 16 64.838 64.838 63.840 0.998 25104 17353 1 20 . 1 1 16 16 PRO CB C 16 32.368 32.368 31.675 0.693 25104 17354 1 20 . 1 1 17 17 LEU N N 17 126.051 126.051 127.442 -1.391 25104 17355 1 20 . 1 1 17 17 LEU HA H 17 4.739 4.739 4.270 0.469 25104 17356 1 20 . 1 1 17 17 LEU C C 17 176.975 176.975 176.962 0.013 25104 17357 1 20 . 1 1 17 17 LEU CA C 17 55.511 55.511 56.002 -0.490 25104 17358 1 20 . 1 1 17 17 LEU CB C 17 44.257 44.257 43.032 1.225 25104 17359 1 20 . 1 1 17 17 LEU H H 17 9.237 9.237 8.442 0.795 25104 17360 1 20 . 1 1 18 18 GLY N N 18 102.496 102.496 104.248 -1.752 25104 17361 1 20 . 1 1 18 18 GLY C C 18 170.997 170.997 171.601 -0.604 25104 17362 1 20 . 1 1 18 18 GLY CA C 18 44.713 44.713 44.933 -0.220 25104 17363 1 20 . 1 1 18 18 GLY H H 18 7.303 7.303 7.633 -0.330 25104 17364 1 20 . 1 1 19 19 ARG N N 19 121.330 121.330 119.515 1.815 25104 17365 1 20 . 1 1 19 19 ARG HA H 19 5.665 5.665 4.739 0.926 25104 17366 1 20 . 1 1 19 19 ARG C C 19 176.011 176.011 175.000 1.011 25104 17367 1 20 . 1 1 19 19 ARG CA C 19 55.106 55.106 54.845 0.261 25104 17368 1 20 . 1 1 19 19 ARG CB C 19 33.587 33.587 33.034 0.553 25104 17369 1 20 . 1 1 19 19 ARG H H 19 8.348 8.348 8.343 0.005 25104 17370 1 20 . 1 1 20 20 VAL N N 20 126.859 126.859 122.772 4.087 25104 17371 1 20 . 1 1 20 20 VAL HA H 20 4.650 4.650 4.460 0.190 25104 17372 1 20 . 1 1 20 20 VAL C C 20 174.836 174.836 173.910 0.926 25104 17373 1 20 . 1 1 20 20 VAL CA C 20 59.966 59.966 60.880 -0.914 25104 17374 1 20 . 1 1 20 20 VAL CB C 20 35.034 35.034 35.535 -0.501 25104 17375 1 20 . 1 1 20 20 VAL H H 20 9.400 9.400 8.454 0.946 25104 17376 1 20 . 1 1 21 21 SER N N 21 120.319 120.319 120.543 -0.224 25104 17377 1 20 . 1 1 21 21 SER HA H 21 5.565 5.565 5.410 0.155 25104 17378 1 20 . 1 1 21 21 SER C C 21 174.694 174.694 173.879 0.815 25104 17379 1 20 . 1 1 21 21 SER CA C 21 55.462 55.462 55.711 -0.249 25104 17380 1 20 . 1 1 21 21 SER CB C 21 66.546 66.546 64.968 1.578 25104 17381 1 20 . 1 1 21 21 SER H H 21 8.791 8.791 8.477 0.314 25104 17382 1 20 . 1 1 22 22 PHE N N 22 119.239 119.239 122.066 -2.827 25104 17383 1 20 . 1 1 22 22 PHE HA H 22 5.279 5.279 5.094 0.185 25104 17384 1 20 . 1 1 22 22 PHE C C 22 176.190 176.190 176.028 0.162 25104 17385 1 20 . 1 1 22 22 PHE CA C 22 55.882 55.882 57.050 -1.168 25104 17386 1 20 . 1 1 22 22 PHE CB C 22 42.673 42.673 42.140 0.533 25104 17387 1 20 . 1 1 22 22 PHE H H 22 9.553 9.553 8.957 0.596 25104 17388 1 20 . 1 1 23 23 GLU N N 23 123.308 123.308 120.868 2.440 25104 17389 1 20 . 1 1 23 23 GLU HA H 23 4.797 4.797 4.634 0.163 25104 17390 1 20 . 1 1 23 23 GLU C C 23 175.673 175.673 175.347 0.326 25104 17391 1 20 . 1 1 23 23 GLU CA C 23 55.119 55.119 54.973 0.146 25104 17392 1 20 . 1 1 23 23 GLU CB C 23 32.058 32.058 31.282 0.776 25104 17393 1 20 . 1 1 23 23 GLU H H 23 8.791 8.791 8.624 0.167 25104 17394 1 20 . 1 1 24 24 LEU N N 24 122.539 122.539 126.855 -4.316 25104 17395 1 20 . 1 1 24 24 LEU HA H 24 4.749 4.749 4.771 -0.022 25104 17396 1 20 . 1 1 24 24 LEU C C 24 178.229 178.229 177.332 0.897 25104 17397 1 20 . 1 1 24 24 LEU CA C 24 51.899 51.899 54.478 -2.579 25104 17398 1 20 . 1 1 24 24 LEU CB C 24 43.248 43.248 42.530 0.718 25104 17399 1 20 . 1 1 24 24 LEU H H 24 8.198 8.198 8.835 -0.637 25104 17400 1 20 . 1 1 25 25 PHE N N 25 124.715 124.715 123.311 1.404 25104 17401 1 20 . 1 1 25 25 PHE HA H 25 5.171 5.171 4.877 0.294 25104 17402 1 20 . 1 1 25 25 PHE C C 25 177.485 177.485 175.779 1.706 25104 17403 1 20 . 1 1 25 25 PHE CA C 25 54.699 54.699 57.090 -2.391 25104 17404 1 20 . 1 1 25 25 PHE CB C 25 36.100 36.100 36.531 -0.431 25104 17405 1 20 . 1 1 25 25 PHE H H 25 8.864 8.864 9.166 -0.302 25104 17406 1 20 . 1 1 26 26 ALA N N 26 128.663 128.663 125.495 3.168 25104 17407 1 20 . 1 1 26 26 ALA HA H 26 3.838 3.838 4.245 -0.407 25104 17408 1 20 . 1 1 26 26 ALA C C 26 177.291 177.291 178.979 -1.688 25104 17409 1 20 . 1 1 26 26 ALA CA C 26 54.316 54.316 54.848 -0.532 25104 17410 1 20 . 1 1 26 26 ALA CB C 26 19.002 19.002 18.829 0.173 25104 17411 1 20 . 1 1 26 26 ALA H H 26 8.480 8.480 7.838 0.642 25104 17412 1 20 . 1 1 27 27 ASP N N 27 114.191 114.191 116.876 -2.685 25104 17413 1 20 . 1 1 27 27 ASP HA H 27 4.197 4.197 4.433 -0.236 25104 17414 1 20 . 1 1 27 27 ASP C C 27 177.976 177.976 177.613 0.363 25104 17415 1 20 . 1 1 27 27 ASP CA C 27 55.410 55.410 56.509 -1.099 25104 17416 1 20 . 1 1 27 27 ASP CB C 27 38.821 38.821 40.419 -1.598 25104 17417 1 20 . 1 1 27 27 ASP H H 27 9.145 9.145 8.062 1.083 25104 17418 1 20 . 1 1 28 28 LYS N N 28 118.107 118.107 117.945 0.162 25104 17419 1 20 . 1 1 28 28 LYS HA H 28 4.599 4.599 4.433 0.166 25104 17420 1 20 . 1 1 28 28 LYS C C 28 177.840 177.840 177.283 0.557 25104 17421 1 20 . 1 1 28 28 LYS CA C 28 56.262 56.262 57.495 -1.233 25104 17422 1 20 . 1 1 28 28 LYS CB C 28 36.006 36.006 34.649 1.357 25104 17423 1 20 . 1 1 28 28 LYS H H 28 7.569 7.569 7.724 -0.155 25104 17424 1 20 . 1 1 29 29 VAL N N 29 114.551 114.551 115.163 -0.612 25104 17425 1 20 . 1 1 29 29 VAL HA H 29 4.487 4.487 4.836 -0.349 25104 17426 1 20 . 1 1 29 29 VAL CA C 29 58.309 58.309 58.214 0.095 25104 17427 1 20 . 1 1 29 29 VAL CB C 29 32.078 32.078 31.431 0.647 25104 17428 1 20 . 1 1 29 29 VAL H H 29 8.364 8.364 7.968 0.396 25104 17429 1 20 . 1 1 30 30 PRO HA H 30 4.450 4.450 4.341 0.109 25104 17430 1 20 . 1 1 30 30 PRO C C 30 181.892 181.892 178.626 3.266 25104 17431 1 20 . 1 1 30 30 PRO CA C 30 66.227 66.227 66.132 0.095 25104 17432 1 20 . 1 1 30 30 PRO CB C 30 31.547 31.547 32.147 -0.600 25104 17433 1 20 . 1 1 31 31 LYS N N 31 123.785 123.785 117.809 5.976 25104 17434 1 20 . 1 1 31 31 LYS HA H 31 4.105 4.105 4.068 0.037 25104 17435 1 20 . 1 1 31 31 LYS C C 31 182.749 182.749 178.669 4.080 25104 17436 1 20 . 1 1 31 31 LYS CA C 31 61.057 61.057 59.759 1.298 25104 17437 1 20 . 1 1 31 31 LYS CB C 31 32.468 32.468 32.100 0.368 25104 17438 1 20 . 1 1 31 31 LYS H H 31 10.684 10.684 8.272 2.412 25104 17439 1 20 . 1 1 32 32 THR N N 32 124.002 124.002 113.578 10.424 25104 17440 1 20 . 1 1 32 32 THR HA H 32 4.034 4.034 4.329 -0.295 25104 17441 1 20 . 1 1 32 32 THR C C 32 178.673 178.673 176.420 2.253 25104 17442 1 20 . 1 1 32 32 THR CA C 32 67.526 67.526 66.525 1.001 25104 17443 1 20 . 1 1 32 32 THR CB C 32 68.705 68.705 68.500 0.205 25104 17444 1 20 . 1 1 32 32 THR H H 32 10.320 10.320 8.353 1.967 25104 17445 1 20 . 1 1 33 33 ALA N N 33 125.616 125.616 123.290 2.326 25104 17446 1 20 . 1 1 33 33 ALA HA H 33 4.092 4.092 4.208 -0.116 25104 17447 1 20 . 1 1 33 33 ALA C C 33 179.174 179.174 178.927 0.247 25104 17448 1 20 . 1 1 33 33 ALA CA C 33 55.972 55.972 54.718 1.254 25104 17449 1 20 . 1 1 33 33 ALA CB C 33 18.414 18.414 18.343 0.071 25104 17450 1 20 . 1 1 33 33 ALA H H 33 9.311 9.311 7.935 1.376 25104 17451 1 20 . 1 1 34 34 GLU N N 34 117.376 117.376 119.992 -2.616 25104 17452 1 20 . 1 1 34 34 GLU HA H 34 4.556 4.556 3.885 0.671 25104 17453 1 20 . 1 1 34 34 GLU C C 34 178.418 178.418 178.470 -0.052 25104 17454 1 20 . 1 1 34 34 GLU CA C 34 58.238 58.238 59.671 -1.433 25104 17455 1 20 . 1 1 34 34 GLU CB C 34 28.181 28.181 29.659 -1.478 25104 17456 1 20 . 1 1 34 34 GLU H H 34 8.069 8.069 7.957 0.112 25104 17457 1 20 . 1 1 35 35 ASN N N 35 115.722 115.722 118.200 -2.478 25104 17458 1 20 . 1 1 35 35 ASN HA H 35 4.108 4.108 4.251 -0.143 25104 17459 1 20 . 1 1 35 35 ASN C C 35 175.568 175.568 177.251 -1.683 25104 17460 1 20 . 1 1 35 35 ASN CA C 35 56.768 56.768 56.053 0.715 25104 17461 1 20 . 1 1 35 35 ASN CB C 35 39.644 39.644 38.194 1.450 25104 17462 1 20 . 1 1 35 35 ASN H H 35 7.193 7.193 8.006 -0.813 25104 17463 1 20 . 1 1 36 36 PHE N N 36 117.929 117.929 120.213 -2.284 25104 17464 1 20 . 1 1 36 36 PHE HA H 36 4.158 4.158 4.112 0.046 25104 17465 1 20 . 1 1 36 36 PHE C C 36 179.707 179.707 177.137 2.570 25104 17466 1 20 . 1 1 36 36 PHE CA C 36 61.589 61.589 60.824 0.765 25104 17467 1 20 . 1 1 36 36 PHE CB C 36 39.948 39.948 38.554 1.394 25104 17468 1 20 . 1 1 36 36 PHE H H 36 7.065 7.065 7.278 -0.213 25104 17469 1 20 . 1 1 37 37 ARG N N 37 121.048 121.048 120.259 0.789 25104 17470 1 20 . 1 1 37 37 ARG HA H 37 3.685 3.685 3.616 0.069 25104 17471 1 20 . 1 1 37 37 ARG C C 37 179.000 179.000 177.967 1.033 25104 17472 1 20 . 1 1 37 37 ARG CA C 37 60.515 60.515 59.674 0.841 25104 17473 1 20 . 1 1 37 37 ARG CB C 37 29.880 29.880 30.053 -0.173 25104 17474 1 20 . 1 1 37 37 ARG H H 37 8.975 8.975 8.063 0.912 25104 17475 1 20 . 1 1 38 38 ALA N N 38 119.232 119.232 121.262 -2.030 25104 17476 1 20 . 1 1 38 38 ALA HA H 38 4.126 4.126 4.195 -0.069 25104 17477 1 20 . 1 1 38 38 ALA C C 38 183.365 183.365 180.085 3.280 25104 17478 1 20 . 1 1 38 38 ALA CA C 38 54.477 54.477 54.569 -0.092 25104 17479 1 20 . 1 1 38 38 ALA CB C 38 18.405 18.405 18.510 -0.105 25104 17480 1 20 . 1 1 38 38 ALA H H 38 8.741 8.741 7.865 0.876 25104 17481 1 20 . 1 1 39 39 LEU N N 39 120.723 120.723 118.819 1.904 25104 17482 1 20 . 1 1 39 39 LEU HA H 39 3.800 3.800 4.304 -0.504 25104 17483 1 20 . 1 1 39 39 LEU C C 39 180.481 180.481 178.935 1.546 25104 17484 1 20 . 1 1 39 39 LEU CA C 39 57.268 57.268 57.795 -0.527 25104 17485 1 20 . 1 1 39 39 LEU CB C 39 41.218 41.218 41.795 -0.577 25104 17486 1 20 . 1 1 39 39 LEU H H 39 8.212 8.212 7.936 0.276 25104 17487 1 20 . 1 1 40 40 SER N N 40 119.210 119.210 114.537 4.673 25104 17488 1 20 . 1 1 40 40 SER HA H 40 4.341 4.341 4.200 0.141 25104 17489 1 20 . 1 1 40 40 SER C C 40 175.380 175.380 176.456 -1.076 25104 17490 1 20 . 1 1 40 40 SER CA C 40 62.924 62.924 61.541 1.383 25104 17491 1 20 . 1 1 40 40 SER CB C 40 62.992 62.992 62.893 0.099 25104 17492 1 20 . 1 1 40 40 SER H H 40 7.938 7.938 8.112 -0.174 25104 17493 1 20 . 1 1 41 41 THR N N 41 108.556 108.556 109.538 -0.982 25104 17494 1 20 . 1 1 41 41 THR HA H 41 4.508 4.508 4.325 0.183 25104 17495 1 20 . 1 1 41 41 THR C C 41 179.088 179.088 175.720 3.368 25104 17496 1 20 . 1 1 41 41 THR CA C 41 62.492 62.492 63.149 -0.657 25104 17497 1 20 . 1 1 41 41 THR CB C 41 69.663 69.663 69.727 -0.064 25104 17498 1 20 . 1 1 41 41 THR H H 41 8.017 8.017 7.806 0.211 25104 17499 1 20 . 1 1 42 42 GLY N N 42 108.433 108.433 110.621 -2.188 25104 17500 1 20 . 1 1 42 42 GLY C C 42 178.676 178.676 175.976 2.700 25104 17501 1 20 . 1 1 42 42 GLY CA C 42 45.840 45.840 45.476 0.364 25104 17502 1 20 . 1 1 42 42 GLY H H 42 7.621 7.621 7.783 -0.162 25104 17503 1 20 . 1 1 43 43 GLU N N 43 118.777 118.777 120.652 -1.875 25104 17504 1 20 . 1 1 43 43 GLU HA H 43 4.171 4.171 4.098 0.073 25104 17505 1 20 . 1 1 43 43 GLU C C 43 177.458 177.458 177.546 -0.088 25104 17506 1 20 . 1 1 43 43 GLU CA C 43 58.580 58.580 58.093 0.487 25104 17507 1 20 . 1 1 43 43 GLU H H 43 8.049 8.049 8.127 -0.078 25104 17508 1 20 . 1 1 44 44 LYS N N 44 118.526 118.526 116.526 2.000 25104 17509 1 20 . 1 1 44 44 LYS HA H 44 4.342 4.342 4.333 0.009 25104 17510 1 20 . 1 1 44 44 LYS C C 44 177.590 177.590 176.100 1.490 25104 17511 1 20 . 1 1 44 44 LYS CA C 44 54.405 54.405 54.362 0.043 25104 17512 1 20 . 1 1 44 44 LYS CB C 44 30.488 30.488 31.997 -1.509 25104 17513 1 20 . 1 1 44 44 LYS H H 44 9.123 9.123 7.324 1.799 25104 17514 1 20 . 1 1 45 45 GLY N N 45 105.553 105.553 107.820 -2.267 25104 17515 1 20 . 1 1 45 45 GLY C C 45 173.518 173.518 174.307 -0.789 25104 17516 1 20 . 1 1 45 45 GLY CA C 45 44.612 44.612 45.907 -1.296 25104 17517 1 20 . 1 1 45 45 GLY H H 45 7.970 7.970 7.636 0.334 25104 17518 1 20 . 1 1 46 46 PHE N N 46 113.753 113.753 118.259 -4.506 25104 17519 1 20 . 1 1 46 46 PHE HA H 46 4.678 4.678 4.504 0.174 25104 17520 1 20 . 1 1 46 46 PHE C C 46 173.684 173.684 175.360 -1.676 25104 17521 1 20 . 1 1 46 46 PHE CA C 46 54.077 54.077 57.570 -3.493 25104 17522 1 20 . 1 1 46 46 PHE CB C 46 39.658 39.658 40.130 -0.472 25104 17523 1 20 . 1 1 46 46 PHE H H 46 6.469 6.469 7.640 -1.171 25104 17524 1 20 . 1 1 47 47 GLY N N 47 104.722 104.722 108.841 -4.119 25104 17525 1 20 . 1 1 47 47 GLY C C 47 172.446 172.446 175.062 -2.616 25104 17526 1 20 . 1 1 47 47 GLY CA C 47 45.601 45.601 45.476 0.125 25104 17527 1 20 . 1 1 47 47 GLY H H 47 7.756 7.756 7.939 -0.183 25104 17528 1 20 . 1 1 48 48 TYR N N 48 113.796 113.796 120.453 -6.657 25104 17529 1 20 . 1 1 48 48 TYR HA H 48 4.270 4.270 3.544 0.726 25104 17530 1 20 . 1 1 48 48 TYR C C 48 178.924 178.924 175.655 3.269 25104 17531 1 20 . 1 1 48 48 TYR CA C 48 57.365 57.365 58.895 -1.530 25104 17532 1 20 . 1 1 48 48 TYR CB C 48 38.832 38.832 37.482 1.350 25104 17533 1 20 . 1 1 48 48 TYR H H 48 6.948 6.948 8.070 -1.122 25104 17534 1 20 . 1 1 49 49 LYS N N 49 124.858 124.858 125.308 -0.450 25104 17535 1 20 . 1 1 49 49 LYS HA H 49 3.655 3.655 4.303 -0.648 25104 17536 1 20 . 1 1 49 49 LYS C C 49 178.388 178.388 176.416 1.972 25104 17537 1 20 . 1 1 49 49 LYS CA C 49 61.018 61.018 54.824 6.194 25104 17538 1 20 . 1 1 49 49 LYS CB C 49 31.484 31.484 34.252 -2.768 25104 17539 1 20 . 1 1 49 49 LYS H H 49 8.493 8.493 7.264 1.229 25104 17540 1 20 . 1 1 50 50 GLY N N 50 117.833 117.833 115.179 2.654 25104 17541 1 20 . 1 1 50 50 GLY C C 50 175.259 175.259 174.702 0.557 25104 17542 1 20 . 1 1 50 50 GLY CA C 50 45.495 45.495 45.471 0.024 25104 17543 1 20 . 1 1 50 50 GLY H H 50 9.509 9.509 8.395 1.114 25104 17544 1 20 . 1 1 51 51 SER N N 51 116.413 116.413 114.658 1.755 25104 17545 1 20 . 1 1 51 51 SER HA H 51 4.516 4.516 4.461 0.055 25104 17546 1 20 . 1 1 51 51 SER C C 51 172.808 172.808 174.541 -1.733 25104 17547 1 20 . 1 1 51 51 SER CA C 51 59.043 59.043 59.163 -0.121 25104 17548 1 20 . 1 1 51 51 SER CB C 51 63.781 63.781 63.313 0.468 25104 17549 1 20 . 1 1 51 51 SER H H 51 8.436 8.436 7.896 0.540 25104 17550 1 20 . 1 1 52 52 CYS N N 52 115.156 115.156 126.598 -11.442 25104 17551 1 20 . 1 1 52 52 CYS HA H 52 5.932 5.932 5.078 0.854 25104 17552 1 20 . 1 1 52 52 CYS C C 52 177.437 177.437 175.169 2.268 25104 17553 1 20 . 1 1 52 52 CYS CA C 52 55.998 55.998 57.115 -1.117 25104 17554 1 20 . 1 1 52 52 CYS CB C 52 31.953 31.953 27.916 4.037 25104 17555 1 20 . 1 1 52 52 CYS H H 52 9.875 9.875 8.706 1.169 25104 17556 1 20 . 1 1 53 53 PHE N N 53 123.068 123.068 130.097 -7.029 25104 17557 1 20 . 1 1 53 53 PHE HA H 53 4.899 4.899 4.576 0.323 25104 17558 1 20 . 1 1 53 53 PHE C C 53 175.886 175.886 175.599 0.287 25104 17559 1 20 . 1 1 53 53 PHE CA C 53 58.389 58.389 59.032 -0.643 25104 17560 1 20 . 1 1 53 53 PHE CB C 53 39.535 39.535 37.976 1.559 25104 17561 1 20 . 1 1 53 53 PHE H H 53 8.732 8.732 9.089 -0.357 25104 17562 1 20 . 1 1 54 54 HIS N N 54 120.227 120.227 118.595 1.632 25104 17563 1 20 . 1 1 54 54 HIS HA H 54 4.763 4.763 5.058 -0.295 25104 17564 1 20 . 1 1 54 54 HIS C C 54 176.409 176.409 174.542 1.867 25104 17565 1 20 . 1 1 54 54 HIS CA C 54 57.323 57.323 54.948 2.375 25104 17566 1 20 . 1 1 54 54 HIS CB C 54 31.542 31.542 31.873 -0.331 25104 17567 1 20 . 1 1 54 54 HIS H H 54 7.696 7.696 7.857 -0.161 25104 17568 1 20 . 1 1 55 55 ARG N N 55 123.202 123.202 121.633 1.569 25104 17569 1 20 . 1 1 55 55 ARG HA H 55 5.118 5.118 5.394 -0.276 25104 17570 1 20 . 1 1 55 55 ARG C C 55 174.511 174.511 173.572 0.939 25104 17571 1 20 . 1 1 55 55 ARG CA C 55 54.913 54.913 55.356 -0.443 25104 17572 1 20 . 1 1 55 55 ARG CB C 55 33.805 33.805 32.604 1.201 25104 17573 1 20 . 1 1 55 55 ARG H H 55 7.089 7.089 7.380 -0.291 25104 17574 1 20 . 1 1 56 56 ILE N N 56 126.621 126.621 126.891 -0.270 25104 17575 1 20 . 1 1 56 56 ILE HA H 56 4.659 4.659 4.752 -0.093 25104 17576 1 20 . 1 1 56 56 ILE C C 56 174.633 174.633 174.058 0.575 25104 17577 1 20 . 1 1 56 56 ILE CA C 56 61.585 61.585 60.498 1.087 25104 17578 1 20 . 1 1 56 56 ILE CB C 56 41.452 41.452 42.073 -0.621 25104 17579 1 20 . 1 1 56 56 ILE H H 56 9.201 9.201 8.439 0.762 25104 17580 1 20 . 1 1 57 57 ILE N N 57 127.965 127.965 126.388 1.577 25104 17581 1 20 . 1 1 57 57 ILE HA H 57 5.248 5.248 5.294 -0.046 25104 17582 1 20 . 1 1 57 57 ILE CA C 57 57.685 57.685 57.604 0.081 25104 17583 1 20 . 1 1 57 57 ILE CB C 57 40.236 40.236 40.591 -0.355 25104 17584 1 20 . 1 1 57 57 ILE H H 57 8.753 8.753 8.982 -0.229 25104 17585 1 20 . 1 1 58 58 PRO HA H 58 4.382 4.382 4.394 -0.012 25104 17586 1 20 . 1 1 58 58 PRO C C 58 178.669 178.669 177.660 1.009 25104 17587 1 20 . 1 1 58 58 PRO CA C 58 63.086 63.086 63.627 -0.541 25104 17588 1 20 . 1 1 58 58 PRO CB C 58 31.996 31.996 31.738 0.258 25104 17589 1 20 . 1 1 59 59 GLY N N 59 114.176 114.176 110.415 3.761 25104 17590 1 20 . 1 1 59 59 GLY C C 59 173.281 173.281 173.805 -0.524 25104 17591 1 20 . 1 1 59 59 GLY CA C 59 45.259 45.259 46.262 -1.003 25104 17592 1 20 . 1 1 59 59 GLY H H 59 9.752 9.752 8.780 0.972 25104 17593 1 20 . 1 1 60 60 PHE N N 60 119.241 119.241 117.891 1.350 25104 17594 1 20 . 1 1 60 60 PHE HA H 60 5.153 5.153 4.954 0.199 25104 17595 1 20 . 1 1 60 60 PHE C C 60 174.401 174.401 173.118 1.283 25104 17596 1 20 . 1 1 60 60 PHE CA C 60 56.867 56.867 57.836 -0.969 25104 17597 1 20 . 1 1 60 60 PHE CB C 60 39.954 39.954 41.454 -1.500 25104 17598 1 20 . 1 1 60 60 PHE H H 60 8.196 8.196 7.486 0.710 25104 17599 1 20 . 1 1 61 61 MET N N 61 111.262 111.262 116.310 -5.048 25104 17600 1 20 . 1 1 61 61 MET HA H 61 5.369 5.369 4.882 0.487 25104 17601 1 20 . 1 1 61 61 MET C C 61 175.163 175.163 173.296 1.867 25104 17602 1 20 . 1 1 61 61 MET CA C 61 55.062 55.062 55.288 -0.226 25104 17603 1 20 . 1 1 61 61 MET CB C 61 35.010 35.010 36.746 -1.736 25104 17604 1 20 . 1 1 61 61 MET H H 61 8.128 8.128 8.476 -0.348 25104 17605 1 20 . 1 1 62 62 CYS N N 62 114.848 114.848 121.549 -6.701 25104 17606 1 20 . 1 1 62 62 CYS HA H 62 4.941 4.941 5.008 -0.067 25104 17607 1 20 . 1 1 62 62 CYS C C 62 174.075 174.075 173.336 0.739 25104 17608 1 20 . 1 1 62 62 CYS CA C 62 57.485 57.485 56.773 0.712 25104 17609 1 20 . 1 1 62 62 CYS CB C 62 30.392 30.392 29.158 1.234 25104 17610 1 20 . 1 1 62 62 CYS H H 62 8.501 8.501 8.801 -0.300 25104 17611 1 20 . 1 1 63 63 GLN N N 63 126.854 126.854 124.874 1.980 25104 17612 1 20 . 1 1 63 63 GLN HA H 63 5.410 5.410 5.421 -0.011 25104 17613 1 20 . 1 1 63 63 GLN C C 63 175.024 175.024 174.402 0.622 25104 17614 1 20 . 1 1 63 63 GLN CA C 63 54.691 54.691 53.634 1.057 25104 17615 1 20 . 1 1 63 63 GLN CB C 63 30.529 30.529 32.469 -1.940 25104 17616 1 20 . 1 1 63 63 GLN H H 63 9.671 9.671 9.181 0.490 25104 17617 1 20 . 1 1 64 64 GLY N N 64 110.745 110.745 107.042 3.703 25104 17618 1 20 . 1 1 64 64 GLY C C 64 174.113 174.113 172.177 1.936 25104 17619 1 20 . 1 1 64 64 GLY CA C 64 44.788 44.788 44.438 0.350 25104 17620 1 20 . 1 1 64 64 GLY H H 64 7.401 7.401 8.797 -1.396 25104 17621 1 20 . 1 1 65 65 GLY N N 65 105.815 105.815 105.443 0.372 25104 17622 1 20 . 1 1 65 65 GLY C C 65 176.175 176.175 172.549 3.626 25104 17623 1 20 . 1 1 65 65 GLY CA C 65 46.659 46.659 44.796 1.863 25104 17624 1 20 . 1 1 65 65 GLY H H 65 9.265 9.265 7.542 1.723 25104 17625 1 20 . 1 1 66 66 ASP N N 66 123.911 123.911 123.029 0.882 25104 17626 1 20 . 1 1 66 66 ASP HA H 66 4.337 4.337 4.963 -0.626 25104 17627 1 20 . 1 1 66 66 ASP C C 66 177.105 177.105 175.126 1.979 25104 17628 1 20 . 1 1 66 66 ASP CA C 66 51.592 51.592 52.663 -1.071 25104 17629 1 20 . 1 1 66 66 ASP CB C 66 38.926 38.926 41.514 -2.588 25104 17630 1 20 . 1 1 66 66 ASP H H 66 9.950 9.950 8.752 1.198 25104 17631 1 20 . 1 1 67 67 PHE N N 67 116.285 116.285 119.570 -3.285 25104 17632 1 20 . 1 1 67 67 PHE HA H 67 4.655 4.655 4.484 0.171 25104 17633 1 20 . 1 1 67 67 PHE C C 67 175.240 175.240 175.509 -0.269 25104 17634 1 20 . 1 1 67 67 PHE CA C 67 55.683 55.683 60.975 -5.292 25104 17635 1 20 . 1 1 67 67 PHE CB C 67 39.480 39.480 40.367 -0.887 25104 17636 1 20 . 1 1 67 67 PHE H H 67 6.660 6.660 7.920 -1.260 25104 17637 1 20 . 1 1 68 68 THR N N 68 109.280 109.280 116.904 -7.624 25104 17638 1 20 . 1 1 68 68 THR HA H 68 4.692 4.692 4.323 0.369 25104 17639 1 20 . 1 1 68 68 THR C C 68 176.514 176.514 173.395 3.119 25104 17640 1 20 . 1 1 68 68 THR CA C 68 61.962 61.962 62.945 -0.983 25104 17641 1 20 . 1 1 68 68 THR CB C 68 68.922 68.922 68.892 0.030 25104 17642 1 20 . 1 1 68 68 THR H H 68 7.400 7.400 8.204 -0.804 25104 17643 1 20 . 1 1 69 69 ARG N N 69 122.125 122.125 122.546 -0.421 25104 17644 1 20 . 1 1 69 69 ARG HA H 69 4.421 4.421 3.932 0.489 25104 17645 1 20 . 1 1 69 69 ARG CA C 69 55.265 55.265 56.712 -1.447 25104 17646 1 20 . 1 1 69 69 ARG CB C 69 31.727 31.727 28.091 3.636 25104 17647 1 20 . 1 1 69 69 ARG H H 69 8.719 8.719 8.879 -0.160 25104 17648 1 20 . 1 1 70 70 HIS N N 70 111.574 111.574 119.373 -7.799 25104 17649 1 20 . 1 1 70 70 HIS HA H 70 4.451 4.451 4.552 -0.101 25104 17650 1 20 . 1 1 70 70 HIS C C 70 175.306 175.306 174.716 0.590 25104 17651 1 20 . 1 1 70 70 HIS CA C 70 57.193 57.193 55.816 1.377 25104 17652 1 20 . 1 1 70 70 HIS CB C 70 28.587 28.587 27.966 0.621 25104 17653 1 20 . 1 1 70 70 HIS H H 70 6.865 6.865 8.733 -1.868 25104 17654 1 20 . 1 1 71 71 ASN N N 71 112.710 112.710 120.942 -8.232 25104 17655 1 20 . 1 1 71 71 ASN HA H 71 4.673 4.673 4.675 -0.002 25104 17656 1 20 . 1 1 71 71 ASN C C 71 176.752 176.752 175.281 1.471 25104 17657 1 20 . 1 1 71 71 ASN CA C 71 52.366 52.366 53.545 -1.179 25104 17658 1 20 . 1 1 71 71 ASN CB C 71 39.036 39.036 38.981 0.055 25104 17659 1 20 . 1 1 71 71 ASN H H 71 7.594 7.594 8.264 -0.670 25104 17660 1 20 . 1 1 72 72 GLY N N 72 110.452 110.452 108.549 1.903 25104 17661 1 20 . 1 1 72 72 GLY C C 72 176.669 176.669 174.869 1.800 25104 17662 1 20 . 1 1 72 72 GLY CA C 72 44.887 44.887 45.800 -0.913 25104 17663 1 20 . 1 1 72 72 GLY H H 72 9.642 9.642 8.661 0.981 25104 17664 1 20 . 1 1 73 73 THR N N 73 112.024 112.024 116.485 -4.461 25104 17665 1 20 . 1 1 73 73 THR HA H 73 4.541 4.541 4.204 0.337 25104 17666 1 20 . 1 1 73 73 THR C C 73 176.905 176.905 174.850 2.055 25104 17667 1 20 . 1 1 73 73 THR CA C 73 62.235 62.235 65.078 -2.842 25104 17668 1 20 . 1 1 73 73 THR CB C 73 70.677 70.677 69.970 0.707 25104 17669 1 20 . 1 1 73 73 THR H H 73 7.967 7.967 7.564 0.403 25104 17670 1 20 . 1 1 74 74 GLY N N 74 113.872 113.872 108.749 5.123 25104 17671 1 20 . 1 1 74 74 GLY C C 74 176.149 176.149 174.165 1.984 25104 17672 1 20 . 1 1 74 74 GLY CA C 74 45.126 45.126 46.118 -0.992 25104 17673 1 20 . 1 1 74 74 GLY H H 74 8.711 8.711 8.335 0.376 25104 17674 1 20 . 1 1 75 75 GLY N N 75 109.032 109.032 105.086 3.946 25104 17675 1 20 . 1 1 75 75 GLY C C 75 173.012 173.012 173.319 -0.307 25104 17676 1 20 . 1 1 75 75 GLY CA C 75 43.371 43.371 44.382 -1.011 25104 17677 1 20 . 1 1 75 75 GLY H H 75 8.117 8.117 7.717 0.400 25104 17678 1 20 . 1 1 76 76 LYS N N 76 115.705 115.705 120.256 -4.551 25104 17679 1 20 . 1 1 76 76 LYS HA H 76 4.623 4.623 4.738 -0.115 25104 17680 1 20 . 1 1 76 76 LYS C C 76 173.512 173.512 176.579 -3.067 25104 17681 1 20 . 1 1 76 76 LYS CA C 76 55.975 55.975 55.994 -0.019 25104 17682 1 20 . 1 1 76 76 LYS CB C 76 34.648 34.648 33.166 1.482 25104 17683 1 20 . 1 1 76 76 LYS H H 76 7.034 7.034 7.779 -0.745 25104 17684 1 20 . 1 1 77 77 SER N N 77 114.354 114.354 114.824 -0.470 25104 17685 1 20 . 1 1 77 77 SER HA H 77 5.240 5.240 4.714 0.526 25104 17686 1 20 . 1 1 77 77 SER C C 77 176.746 176.746 176.714 0.032 25104 17687 1 20 . 1 1 77 77 SER CA C 77 57.077 57.077 57.470 -0.393 25104 17688 1 20 . 1 1 77 77 SER CB C 77 69.863 69.863 65.230 4.633 25104 17689 1 20 . 1 1 77 77 SER H H 77 7.793 7.793 8.170 -0.377 25104 17690 1 20 . 1 1 78 78 ILE N N 78 111.394 111.394 116.745 -5.351 25104 17691 1 20 . 1 1 78 78 ILE HA H 78 4.208 4.208 4.176 0.032 25104 17692 1 20 . 1 1 78 78 ILE C C 78 176.973 176.973 175.818 1.155 25104 17693 1 20 . 1 1 78 78 ILE CA C 78 63.675 63.675 63.459 0.216 25104 17694 1 20 . 1 1 78 78 ILE CB C 78 37.434 37.434 37.781 -0.347 25104 17695 1 20 . 1 1 78 78 ILE H H 78 8.584 8.584 8.530 0.054 25104 17696 1 20 . 1 1 79 79 TYR N N 79 120.757 120.757 117.965 2.792 25104 17697 1 20 . 1 1 79 79 TYR HA H 79 4.718 4.718 4.442 0.276 25104 17698 1 20 . 1 1 79 79 TYR C C 79 176.316 176.316 175.994 0.322 25104 17699 1 20 . 1 1 79 79 TYR CA C 79 56.216 56.216 58.194 -1.978 25104 17700 1 20 . 1 1 79 79 TYR CB C 79 38.891 38.891 38.126 0.765 25104 17701 1 20 . 1 1 79 79 TYR H H 79 8.058 8.058 7.682 0.376 25104 17702 1 20 . 1 1 80 80 GLY N N 80 106.521 106.521 106.959 -0.438 25104 17703 1 20 . 1 1 80 80 GLY CA C 80 46.021 46.021 44.688 1.333 25104 17704 1 20 . 1 1 80 80 GLY H H 80 7.152 7.152 7.288 -0.136 25104 17705 1 20 . 1 1 81 81 GLU N N 81 122.638 122.638 122.477 0.161 25104 17706 1 20 . 1 1 81 81 GLU HA H 81 4.008 4.008 4.046 -0.038 25104 17707 1 20 . 1 1 81 81 GLU C C 81 176.729 176.729 175.502 1.227 25104 17708 1 20 . 1 1 81 81 GLU CA C 81 60.602 60.602 58.910 1.692 25104 17709 1 20 . 1 1 81 81 GLU CB C 81 29.927 29.927 30.023 -0.096 25104 17710 1 20 . 1 1 81 81 GLU H H 81 8.884 8.884 8.669 0.215 25104 17711 1 20 . 1 1 82 82 LYS N N 82 112.369 112.369 112.817 -0.448 25104 17712 1 20 . 1 1 82 82 LYS HA H 82 5.577 5.577 4.805 0.772 25104 17713 1 20 . 1 1 82 82 LYS C C 82 176.495 176.495 174.899 1.596 25104 17714 1 20 . 1 1 82 82 LYS CA C 82 53.906 53.906 54.953 -1.047 25104 17715 1 20 . 1 1 82 82 LYS CB C 82 36.614 36.614 35.979 0.635 25104 17716 1 20 . 1 1 82 82 LYS H H 82 7.845 7.845 7.529 0.316 25104 17717 1 20 . 1 1 83 83 PHE N N 83 116.638 116.638 115.146 1.492 25104 17718 1 20 . 1 1 83 83 PHE HA H 83 5.000 5.000 5.021 -0.021 25104 17719 1 20 . 1 1 83 83 PHE C C 83 174.501 174.501 173.066 1.435 25104 17720 1 20 . 1 1 83 83 PHE CA C 83 56.032 56.032 56.649 -0.617 25104 17721 1 20 . 1 1 83 83 PHE CB C 83 41.258 41.258 41.555 -0.297 25104 17722 1 20 . 1 1 83 83 PHE H H 83 9.184 9.184 8.879 0.305 25104 17723 1 20 . 1 1 84 84 GLU N N 84 119.642 119.642 118.620 1.022 25104 17724 1 20 . 1 1 84 84 GLU HA H 84 3.862 3.862 4.348 -0.486 25104 17725 1 20 . 1 1 84 84 GLU C C 84 177.248 177.248 175.388 1.860 25104 17726 1 20 . 1 1 84 84 GLU CA C 84 56.452 56.452 54.328 2.124 25104 17727 1 20 . 1 1 84 84 GLU CB C 84 29.329 29.329 31.321 -1.992 25104 17728 1 20 . 1 1 84 84 GLU H H 84 9.294 9.294 8.527 0.767 25104 17729 1 20 . 1 1 85 85 ASP N N 85 118.870 118.870 120.813 -1.943 25104 17730 1 20 . 1 1 85 85 ASP HA H 85 4.285 4.285 4.545 -0.260 25104 17731 1 20 . 1 1 85 85 ASP C C 85 177.100 177.100 176.302 0.798 25104 17732 1 20 . 1 1 85 85 ASP CA C 85 54.486 54.486 54.596 -0.111 25104 17733 1 20 . 1 1 85 85 ASP CB C 85 40.954 40.954 41.161 -0.207 25104 17734 1 20 . 1 1 85 85 ASP H H 85 8.609 8.609 8.438 0.171 25104 17735 1 20 . 1 1 86 86 GLU N N 86 131.636 131.636 123.791 7.845 25104 17736 1 20 . 1 1 86 86 GLU HA H 86 3.851 3.851 4.130 -0.279 25104 17737 1 20 . 1 1 86 86 GLU C C 86 177.266 177.266 175.766 1.500 25104 17738 1 20 . 1 1 86 86 GLU CA C 86 60.354 60.354 58.647 1.707 25104 17739 1 20 . 1 1 86 86 GLU CB C 86 31.877 31.877 30.771 1.106 25104 17740 1 20 . 1 1 86 86 GLU H H 86 9.474 9.474 8.833 0.641 25104 17741 1 20 . 1 1 87 87 ASN N N 87 106.916 106.916 112.385 -5.469 25104 17742 1 20 . 1 1 87 87 ASN HA H 87 4.187 4.187 4.615 -0.428 25104 17743 1 20 . 1 1 87 87 ASN C C 87 171.751 171.751 173.871 -2.120 25104 17744 1 20 . 1 1 87 87 ASN CA C 87 52.828 52.828 52.190 0.638 25104 17745 1 20 . 1 1 87 87 ASN CB C 87 39.490 39.490 38.406 1.084 25104 17746 1 20 . 1 1 87 87 ASN H H 87 7.084 7.084 7.618 -0.534 25104 17747 1 20 . 1 1 88 88 PHE N N 88 113.116 113.116 120.329 -7.213 25104 17748 1 20 . 1 1 88 88 PHE HA H 88 5.964 5.964 4.718 1.246 25104 17749 1 20 . 1 1 88 88 PHE C C 88 178.688 178.688 175.242 3.446 25104 17750 1 20 . 1 1 88 88 PHE CA C 88 55.847 55.847 57.576 -1.729 25104 17751 1 20 . 1 1 88 88 PHE CB C 88 38.876 38.876 36.937 1.939 25104 17752 1 20 . 1 1 88 88 PHE H H 88 8.356 8.356 8.805 -0.449 25104 17753 1 20 . 1 1 89 89 ILE N N 89 119.794 119.794 119.653 0.141 25104 17754 1 20 . 1 1 89 89 ILE HA H 89 3.726 3.726 4.007 -0.281 25104 17755 1 20 . 1 1 89 89 ILE C C 89 178.596 178.596 176.164 2.432 25104 17756 1 20 . 1 1 89 89 ILE CA C 89 64.996 64.996 63.099 1.897 25104 17757 1 20 . 1 1 89 89 ILE CB C 89 39.000 39.000 38.620 0.380 25104 17758 1 20 . 1 1 89 89 ILE H H 89 8.314 8.314 7.484 0.830 25104 17759 1 20 . 1 1 90 90 LEU N N 90 117.361 117.361 120.939 -3.578 25104 17760 1 20 . 1 1 90 90 LEU HA H 90 4.516 4.516 4.352 0.164 25104 17761 1 20 . 1 1 90 90 LEU C C 90 177.345 177.345 175.504 1.841 25104 17762 1 20 . 1 1 90 90 LEU CA C 90 54.196 54.196 53.838 0.358 25104 17763 1 20 . 1 1 90 90 LEU CB C 90 42.100 42.100 41.246 0.854 25104 17764 1 20 . 1 1 90 90 LEU H H 90 7.777 7.777 7.930 -0.153 25104 17765 1 20 . 1 1 91 91 LYS N N 91 119.096 119.096 122.795 -3.699 25104 17766 1 20 . 1 1 91 91 LYS HA H 91 4.635 4.635 4.547 0.088 25104 17767 1 20 . 1 1 91 91 LYS C C 91 177.296 177.296 176.290 1.006 25104 17768 1 20 . 1 1 91 91 LYS CA C 91 54.689 54.689 54.350 0.339 25104 17769 1 20 . 1 1 91 91 LYS CB C 91 34.841 34.841 34.537 0.304 25104 17770 1 20 . 1 1 91 91 LYS H H 91 8.086 8.086 8.397 -0.311 25104 17771 1 20 . 1 1 92 92 HIS N N 92 122.578 122.578 119.273 3.305 25104 17772 1 20 . 1 1 92 92 HIS HA H 92 4.408 4.408 4.605 -0.197 25104 17773 1 20 . 1 1 92 92 HIS C C 92 178.794 178.794 174.246 4.548 25104 17774 1 20 . 1 1 92 92 HIS CA C 92 56.886 56.886 55.724 1.162 25104 17775 1 20 . 1 1 92 92 HIS CB C 92 26.041 26.041 27.683 -1.643 25104 17776 1 20 . 1 1 92 92 HIS H H 92 10.736 10.736 8.920 1.816 25104 17777 1 20 . 1 1 93 93 THR N N 93 110.479 110.479 114.853 -4.374 25104 17778 1 20 . 1 1 93 93 THR HA H 93 4.056 4.056 4.151 -0.095 25104 17779 1 20 . 1 1 93 93 THR C C 93 176.456 176.456 173.123 3.333 25104 17780 1 20 . 1 1 93 93 THR CA C 93 63.324 63.324 62.536 0.788 25104 17781 1 20 . 1 1 93 93 THR CB C 93 69.416 69.416 69.052 0.364 25104 17782 1 20 . 1 1 93 93 THR H H 93 7.315 7.315 7.488 -0.173 25104 17783 1 20 . 1 1 94 94 GLY N N 94 107.272 107.272 108.036 -0.764 25104 17784 1 20 . 1 1 94 94 GLY C C 94 178.117 178.117 171.657 6.460 25104 17785 1 20 . 1 1 94 94 GLY H H 94 7.530 7.530 7.560 -0.030 25104 17786 1 20 . 1 1 95 95 PRO HA H 95 3.856 3.856 4.696 -0.840 25104 17787 1 20 . 1 1 95 95 PRO CA C 95 62.687 62.687 62.422 0.265 25104 17788 1 20 . 1 1 95 95 PRO CB C 95 32.137 32.137 32.073 0.064 25104 17789 1 20 . 1 1 96 96 GLY N N 96 110.210 110.210 111.201 -0.991 25104 17790 1 20 . 1 1 96 96 GLY C C 96 174.025 174.025 174.356 -0.331 25104 17791 1 20 . 1 1 96 96 GLY CA C 96 45.068 45.068 45.168 -0.100 25104 17792 1 20 . 1 1 96 96 GLY H H 96 9.305 9.305 8.718 0.587 25104 17793 1 20 . 1 1 97 97 ILE N N 97 121.517 121.517 122.471 -0.954 25104 17794 1 20 . 1 1 97 97 ILE HA H 97 4.173 4.173 4.048 0.125 25104 17795 1 20 . 1 1 97 97 ILE C C 97 174.196 174.196 174.557 -0.361 25104 17796 1 20 . 1 1 97 97 ILE CA C 97 59.398 59.398 61.002 -1.604 25104 17797 1 20 . 1 1 97 97 ILE CB C 97 37.922 37.922 36.286 1.636 25104 17798 1 20 . 1 1 97 97 ILE H H 97 6.826 6.826 7.551 -0.725 25104 17799 1 20 . 1 1 98 98 LEU N N 98 128.948 128.948 131.367 -2.419 25104 17800 1 20 . 1 1 98 98 LEU HA H 98 5.010 5.010 5.141 -0.131 25104 17801 1 20 . 1 1 98 98 LEU C C 98 175.316 175.316 174.559 0.757 25104 17802 1 20 . 1 1 98 98 LEU CA C 98 53.350 53.350 53.200 0.150 25104 17803 1 20 . 1 1 98 98 LEU CB C 98 43.813 43.813 44.389 -0.576 25104 17804 1 20 . 1 1 98 98 LEU H H 98 7.907 7.907 8.347 -0.440 25104 17805 1 20 . 1 1 99 99 SER N N 99 118.834 118.834 119.316 -0.482 25104 17806 1 20 . 1 1 99 99 SER HA H 99 5.346 5.346 3.439 1.907 25104 17807 1 20 . 1 1 99 99 SER C C 99 175.732 175.732 172.649 3.083 25104 17808 1 20 . 1 1 99 99 SER CA C 99 55.011 55.011 55.815 -0.804 25104 17809 1 20 . 1 1 99 99 SER CB C 99 65.370 65.370 65.734 -0.364 25104 17810 1 20 . 1 1 99 99 SER H H 99 8.307 8.307 8.288 0.019 25104 17811 1 20 . 1 1 100 100 MET N N 100 123.079 123.079 120.070 3.009 25104 17812 1 20 . 1 1 100 100 MET HA H 100 5.338 5.338 4.607 0.731 25104 17813 1 20 . 1 1 100 100 MET C C 100 178.920 178.920 176.060 2.860 25104 17814 1 20 . 1 1 100 100 MET CA C 100 53.853 53.853 56.039 -2.186 25104 17815 1 20 . 1 1 100 100 MET H H 100 8.563 8.563 8.989 -0.426 25104 17816 1 20 . 1 1 101 101 ALA N N 101 126.225 126.225 124.308 1.917 25104 17817 1 20 . 1 1 101 101 ALA HA H 101 4.362 4.362 4.604 -0.242 25104 17818 1 20 . 1 1 101 101 ALA C C 101 176.471 176.471 175.546 0.925 25104 17819 1 20 . 1 1 101 101 ALA CA C 101 51.743 51.743 52.275 -0.532 25104 17820 1 20 . 1 1 101 101 ALA CB C 101 19.619 19.619 20.541 -0.922 25104 17821 1 20 . 1 1 101 101 ALA H H 101 8.114 8.114 8.109 0.005 25104 17822 1 20 . 1 1 102 102 ASN N N 102 113.398 113.398 115.489 -2.091 25104 17823 1 20 . 1 1 102 102 ASN HA H 102 4.647 4.647 4.800 -0.153 25104 17824 1 20 . 1 1 102 102 ASN C C 102 174.740 174.740 174.090 0.650 25104 17825 1 20 . 1 1 102 102 ASN CA C 102 54.102 54.102 52.340 1.762 25104 17826 1 20 . 1 1 102 102 ASN CB C 102 40.597 40.597 40.031 0.566 25104 17827 1 20 . 1 1 102 102 ASN H H 102 8.062 8.062 7.866 0.196 25104 17828 1 20 . 1 1 103 103 ALA N N 103 123.487 123.487 122.155 1.332 25104 17829 1 20 . 1 1 103 103 ALA HA H 103 4.868 4.868 4.388 0.480 25104 17830 1 20 . 1 1 103 103 ALA C C 103 177.823 177.823 176.396 1.427 25104 17831 1 20 . 1 1 103 103 ALA CA C 103 50.380 50.380 52.598 -2.218 25104 17832 1 20 . 1 1 103 103 ALA CB C 103 19.295 19.295 19.753 -0.458 25104 17833 1 20 . 1 1 103 103 ALA H H 103 8.822 8.822 8.692 0.130 25104 17834 1 20 . 1 1 104 104 GLY N N 104 109.271 109.271 106.511 2.760 25104 17835 1 20 . 1 1 104 104 GLY CA C 104 43.559 43.559 44.815 -1.256 25104 17836 1 20 . 1 1 104 104 GLY H H 104 8.181 8.181 7.640 0.541 25104 17837 1 20 . 1 1 105 105 PRO HA H 105 4.385 4.385 4.498 -0.113 25104 17838 1 20 . 1 1 105 105 PRO C C 105 177.209 177.209 177.059 0.150 25104 17839 1 20 . 1 1 105 105 PRO CA C 105 63.976 63.976 63.287 0.689 25104 17840 1 20 . 1 1 105 105 PRO CB C 105 32.136 32.136 32.096 0.040 25104 17841 1 20 . 1 1 106 106 ASN N N 106 119.146 119.146 117.765 1.381 25104 17842 1 20 . 1 1 106 106 ASN HA H 106 4.052 4.052 4.580 -0.528 25104 17843 1 20 . 1 1 106 106 ASN C C 106 175.857 175.857 174.334 1.523 25104 17844 1 20 . 1 1 106 106 ASN CA C 106 54.279 54.279 54.730 -0.451 25104 17845 1 20 . 1 1 106 106 ASN CB C 106 37.248 37.248 38.148 -0.900 25104 17846 1 20 . 1 1 106 106 ASN H H 106 8.912 8.912 9.087 -0.175 25104 17847 1 20 . 1 1 107 107 THR N N 107 110.101 110.101 111.775 -1.674 25104 17848 1 20 . 1 1 107 107 THR HA H 107 4.493 4.493 4.345 0.148 25104 17849 1 20 . 1 1 107 107 THR C C 107 174.713 174.713 172.849 1.864 25104 17850 1 20 . 1 1 107 107 THR CA C 107 60.294 60.294 62.023 -1.729 25104 17851 1 20 . 1 1 107 107 THR CB C 107 69.030 69.030 69.660 -0.630 25104 17852 1 20 . 1 1 107 107 THR H H 107 10.191 10.191 7.590 2.601 25104 17853 1 20 . 1 1 108 108 ASN N N 108 120.592 120.592 119.712 0.880 25104 17854 1 20 . 1 1 108 108 ASN HA H 108 4.210 4.210 4.515 -0.305 25104 17855 1 20 . 1 1 108 108 ASN C C 108 175.078 175.078 174.920 0.158 25104 17856 1 20 . 1 1 108 108 ASN CA C 108 55.287 55.287 52.316 2.971 25104 17857 1 20 . 1 1 108 108 ASN CB C 108 39.036 39.036 39.311 -0.275 25104 17858 1 20 . 1 1 108 108 ASN H H 108 7.410 7.410 7.294 0.116 25104 17859 1 20 . 1 1 109 109 GLY N N 109 110.835 110.835 111.203 -0.368 25104 17860 1 20 . 1 1 109 109 GLY C C 109 172.087 172.087 172.939 -0.852 25104 17861 1 20 . 1 1 109 109 GLY CA C 109 45.940 45.940 45.358 0.582 25104 17862 1 20 . 1 1 109 109 GLY H H 109 9.192 9.192 8.097 1.095 25104 17863 1 20 . 1 1 110 110 SER N N 110 117.149 117.149 115.863 1.286 25104 17864 1 20 . 1 1 110 110 SER HA H 110 4.751 4.751 4.985 -0.234 25104 17865 1 20 . 1 1 110 110 SER C C 110 177.075 177.075 174.090 2.985 25104 17866 1 20 . 1 1 110 110 SER CA C 110 57.526 57.526 56.496 1.030 25104 17867 1 20 . 1 1 110 110 SER CB C 110 66.180 66.180 65.518 0.662 25104 17868 1 20 . 1 1 110 110 SER H H 110 8.793 8.793 7.455 1.338 25104 17869 1 20 . 1 1 111 111 GLN N N 111 124.594 124.594 120.552 4.042 25104 17870 1 20 . 1 1 111 111 GLN HA H 111 4.225 4.225 3.540 0.685 25104 17871 1 20 . 1 1 111 111 GLN C C 111 179.174 179.174 174.671 4.503 25104 17872 1 20 . 1 1 111 111 GLN CA C 111 58.144 58.144 57.365 0.779 25104 17873 1 20 . 1 1 111 111 GLN CB C 111 31.558 31.558 28.384 3.174 25104 17874 1 20 . 1 1 111 111 GLN H H 111 8.438 8.438 7.875 0.563 25104 17875 1 20 . 1 1 112 112 PHE N N 112 118.008 118.008 115.543 2.465 25104 17876 1 20 . 1 1 112 112 PHE HA H 112 5.806 5.806 4.893 0.913 25104 17877 1 20 . 1 1 112 112 PHE C C 112 172.840 172.840 174.535 -1.695 25104 17878 1 20 . 1 1 112 112 PHE CA C 112 55.584 55.584 56.713 -1.129 25104 17879 1 20 . 1 1 112 112 PHE CB C 112 43.323 43.323 43.172 0.151 25104 17880 1 20 . 1 1 112 112 PHE H H 112 8.120 8.120 8.548 -0.428 25104 17881 1 20 . 1 1 113 113 PHE N N 113 116.406 116.406 114.516 1.890 25104 17882 1 20 . 1 1 113 113 PHE HA H 113 5.739 5.739 5.563 0.176 25104 17883 1 20 . 1 1 113 113 PHE C C 113 175.349 175.349 173.200 2.149 25104 17884 1 20 . 1 1 113 113 PHE CA C 113 54.684 54.684 56.521 -1.837 25104 17885 1 20 . 1 1 113 113 PHE CB C 113 42.825 42.825 42.429 0.396 25104 17886 1 20 . 1 1 113 113 PHE H H 113 9.832 9.832 8.876 0.956 25104 17887 1 20 . 1 1 114 114 ILE N N 114 118.683 118.683 119.868 -1.185 25104 17888 1 20 . 1 1 114 114 ILE HA H 114 4.842 4.842 5.107 -0.265 25104 17889 1 20 . 1 1 114 114 ILE C C 114 178.414 178.414 176.019 2.395 25104 17890 1 20 . 1 1 114 114 ILE CA C 114 60.265 60.265 59.636 0.629 25104 17891 1 20 . 1 1 114 114 ILE CB C 114 40.466 40.466 40.654 -0.188 25104 17892 1 20 . 1 1 114 114 ILE H H 114 9.156 9.156 8.971 0.185 25104 17893 1 20 . 1 1 115 115 CYS N N 115 125.524 125.524 126.916 -1.392 25104 17894 1 20 . 1 1 115 115 CYS HA H 115 4.808 4.808 4.720 0.088 25104 17895 1 20 . 1 1 115 115 CYS C C 115 177.658 177.658 176.214 1.444 25104 17896 1 20 . 1 1 115 115 CYS CA C 115 60.803 60.803 57.590 3.213 25104 17897 1 20 . 1 1 115 115 CYS CB C 115 28.723 28.723 27.149 1.574 25104 17898 1 20 . 1 1 115 115 CYS H H 115 9.616 9.616 8.911 0.705 25104 17899 1 20 . 1 1 116 116 THR N N 116 115.801 115.801 117.876 -2.075 25104 17900 1 20 . 1 1 116 116 THR HA H 116 4.380 4.380 4.140 0.240 25104 17901 1 20 . 1 1 116 116 THR C C 116 178.496 178.496 174.888 3.608 25104 17902 1 20 . 1 1 116 116 THR CA C 116 60.844 60.844 63.144 -2.300 25104 17903 1 20 . 1 1 116 116 THR CB C 116 66.730 66.730 68.941 -2.211 25104 17904 1 20 . 1 1 116 116 THR H H 116 8.990 8.990 8.440 0.550 25104 17905 1 20 . 1 1 117 117 ALA N N 117 122.356 122.356 124.700 -2.344 25104 17906 1 20 . 1 1 117 117 ALA HA H 117 4.420 4.420 4.588 -0.168 25104 17907 1 20 . 1 1 117 117 ALA C C 117 176.114 176.114 175.510 0.604 25104 17908 1 20 . 1 1 117 117 ALA CA C 117 50.668 50.668 50.360 0.308 25104 17909 1 20 . 1 1 117 117 ALA CB C 117 22.795 22.795 20.821 1.974 25104 17910 1 20 . 1 1 117 117 ALA H H 117 7.641 7.641 7.549 0.092 25104 17911 1 20 . 1 1 118 118 LYS N N 118 119.855 119.855 119.415 0.440 25104 17912 1 20 . 1 1 118 118 LYS HA H 118 3.840 3.840 4.354 -0.514 25104 17913 1 20 . 1 1 118 118 LYS C C 118 177.211 177.211 176.138 1.073 25104 17914 1 20 . 1 1 118 118 LYS CA C 118 57.913 57.913 56.252 1.661 25104 17915 1 20 . 1 1 118 118 LYS CB C 118 32.708 32.708 31.139 1.569 25104 17916 1 20 . 1 1 118 118 LYS H H 118 8.693 8.693 8.492 0.201 25104 17917 1 20 . 1 1 119 119 THR N N 119 119.004 119.004 116.534 2.470 25104 17918 1 20 . 1 1 119 119 THR HA H 119 3.730 3.730 3.063 0.667 25104 17919 1 20 . 1 1 119 119 THR C C 119 177.928 177.928 174.890 3.038 25104 17920 1 20 . 1 1 119 119 THR CA C 119 57.301 57.301 60.015 -2.714 25104 17921 1 20 . 1 1 119 119 THR CB C 119 68.717 68.717 67.666 1.051 25104 17922 1 20 . 1 1 119 119 THR H H 119 7.373 7.373 8.162 -0.789 25104 17923 1 20 . 1 1 120 120 GLU N N 120 124.713 124.713 124.744 -0.031 25104 17924 1 20 . 1 1 120 120 GLU HA H 120 4.162 4.162 4.084 0.078 25104 17925 1 20 . 1 1 120 120 GLU C C 120 178.190 178.190 177.340 0.850 25104 17926 1 20 . 1 1 120 120 GLU CA C 120 59.334 59.334 58.341 0.993 25104 17927 1 20 . 1 1 120 120 GLU CB C 120 29.322 29.322 29.253 0.070 25104 17928 1 20 . 1 1 120 120 GLU H H 120 9.139 9.139 7.561 1.578 25104 17929 1 20 . 1 1 121 121 TRP N N 121 117.782 117.782 116.118 1.664 25104 17930 1 20 . 1 1 121 121 TRP HA H 121 4.716 4.716 4.516 0.200 25104 17931 1 20 . 1 1 121 121 TRP C C 121 177.244 177.244 176.115 1.129 25104 17932 1 20 . 1 1 121 121 TRP CA C 121 59.748 59.748 57.312 2.436 25104 17933 1 20 . 1 1 121 121 TRP CB C 121 26.947 26.947 28.729 -1.782 25104 17934 1 20 . 1 1 121 121 TRP H H 121 7.297 7.297 7.792 -0.495 25104 17935 1 20 . 1 1 122 122 LEU N N 122 119.806 119.806 119.381 0.425 25104 17936 1 20 . 1 1 122 122 LEU HA H 122 4.315 4.315 4.496 -0.181 25104 17937 1 20 . 1 1 122 122 LEU C C 122 173.304 173.304 176.383 -3.079 25104 17938 1 20 . 1 1 122 122 LEU CA C 122 54.543 54.543 53.457 1.086 25104 17939 1 20 . 1 1 122 122 LEU CB C 122 39.075 39.075 40.721 -1.646 25104 17940 1 20 . 1 1 122 122 LEU H H 122 7.037 7.037 6.726 0.311 25104 17941 1 20 . 1 1 123 123 ASP N N 123 122.205 122.205 122.444 -0.239 25104 17942 1 20 . 1 1 123 123 ASP HA H 123 5.222 5.222 4.620 0.602 25104 17943 1 20 . 1 1 123 123 ASP C C 123 179.276 179.276 177.053 2.223 25104 17944 1 20 . 1 1 123 123 ASP CA C 123 55.889 55.889 55.876 0.014 25104 17945 1 20 . 1 1 123 123 ASP CB C 123 39.517 39.517 41.025 -1.508 25104 17946 1 20 . 1 1 123 123 ASP H H 123 7.643 7.643 7.586 0.057 25104 17947 1 20 . 1 1 124 124 GLY N N 124 111.205 111.205 111.840 -0.635 25104 17948 1 20 . 1 1 124 124 GLY C C 124 173.148 173.148 174.624 -1.476 25104 17949 1 20 . 1 1 124 124 GLY CA C 124 45.114 45.114 45.110 0.004 25104 17950 1 20 . 1 1 124 124 GLY H H 124 9.550 9.550 8.661 0.889 25104 17951 1 20 . 1 1 125 125 LYS N N 125 115.408 115.408 120.605 -5.197 25104 17952 1 20 . 1 1 125 125 LYS HA H 125 4.173 4.173 4.421 -0.248 25104 17953 1 20 . 1 1 125 125 LYS C C 125 176.351 176.351 176.521 -0.170 25104 17954 1 20 . 1 1 125 125 LYS CA C 125 56.341 56.341 55.422 0.918 25104 17955 1 20 . 1 1 125 125 LYS CB C 125 35.504 35.504 33.832 1.672 25104 17956 1 20 . 1 1 125 125 LYS H H 125 7.765 7.765 7.511 0.254 25104 17957 1 20 . 1 1 126 126 HIS N N 126 119.526 119.526 115.762 3.764 25104 17958 1 20 . 1 1 126 126 HIS HA H 126 4.863 4.863 4.777 0.086 25104 17959 1 20 . 1 1 126 126 HIS C C 126 174.784 174.784 175.378 -0.594 25104 17960 1 20 . 1 1 126 126 HIS CA C 126 54.923 54.923 55.895 -0.972 25104 17961 1 20 . 1 1 126 126 HIS CB C 126 31.675 31.675 30.217 1.458 25104 17962 1 20 . 1 1 126 126 HIS H H 126 7.600 7.600 8.527 -0.927 25104 17963 1 20 . 1 1 127 127 VAL N N 127 125.009 125.009 121.340 3.669 25104 17964 1 20 . 1 1 127 127 VAL HA H 127 4.307 4.307 4.094 0.213 25104 17965 1 20 . 1 1 127 127 VAL C C 127 176.442 176.442 175.880 0.562 25104 17966 1 20 . 1 1 127 127 VAL CA C 127 63.893 63.893 62.611 1.282 25104 17967 1 20 . 1 1 127 127 VAL CB C 127 33.553 33.553 32.596 0.958 25104 17968 1 20 . 1 1 127 127 VAL H H 127 8.523 8.523 8.032 0.491 25104 17969 1 20 . 1 1 128 128 VAL N N 128 133.065 133.065 121.485 11.580 25104 17970 1 20 . 1 1 128 128 VAL HA H 128 4.176 4.176 3.580 0.596 25104 17971 1 20 . 1 1 128 128 VAL C C 128 176.113 176.113 175.541 0.572 25104 17972 1 20 . 1 1 128 128 VAL CA C 128 63.172 63.172 63.065 0.107 25104 17973 1 20 . 1 1 128 128 VAL CB C 128 31.612 31.612 32.139 -0.527 25104 17974 1 20 . 1 1 128 128 VAL H H 128 9.474 9.474 7.594 1.880 25104 17975 1 20 . 1 1 129 129 PHE N N 129 117.892 117.892 116.582 1.310 25104 17976 1 20 . 1 1 129 129 PHE HA H 129 5.308 5.308 4.961 0.347 25104 17977 1 20 . 1 1 129 129 PHE C C 129 173.725 173.725 174.521 -0.796 25104 17978 1 20 . 1 1 129 129 PHE CA C 129 55.969 55.969 56.617 -0.648 25104 17979 1 20 . 1 1 129 129 PHE CB C 129 42.581 42.581 41.083 1.498 25104 17980 1 20 . 1 1 129 129 PHE H H 129 8.138 8.138 7.588 0.550 25104 17981 1 20 . 1 1 130 130 GLY N N 130 110.747 110.747 106.558 4.189 25104 17982 1 20 . 1 1 130 130 GLY C C 130 171.591 171.591 172.037 -0.446 25104 17983 1 20 . 1 1 130 130 GLY CA C 130 46.505 46.505 44.349 2.156 25104 17984 1 20 . 1 1 130 130 GLY H H 130 7.356 7.356 7.673 -0.317 25104 17985 1 20 . 1 1 131 131 LYS N N 131 115.453 115.453 119.733 -4.280 25104 17986 1 20 . 1 1 131 131 LYS HA H 131 5.246 5.246 4.990 0.256 25104 17987 1 20 . 1 1 131 131 LYS C C 131 176.109 176.109 175.354 0.755 25104 17988 1 20 . 1 1 131 131 LYS CA C 131 54.887 54.887 55.763 -0.876 25104 17989 1 20 . 1 1 131 131 LYS CB C 131 36.077 36.077 36.991 -0.914 25104 17990 1 20 . 1 1 131 131 LYS H H 131 8.390 8.390 8.001 0.389 25104 17991 1 20 . 1 1 132 132 VAL N N 132 124.311 124.311 127.018 -2.707 25104 17992 1 20 . 1 1 132 132 VAL HA H 132 3.955 3.955 3.875 0.080 25104 17993 1 20 . 1 1 132 132 VAL C C 132 176.489 176.489 176.455 0.034 25104 17994 1 20 . 1 1 132 132 VAL CA C 132 64.284 64.284 63.991 0.293 25104 17995 1 20 . 1 1 132 132 VAL CB C 132 32.709 32.709 30.490 2.219 25104 17996 1 20 . 1 1 132 132 VAL H H 132 9.071 9.071 8.663 0.408 25104 17997 1 20 . 1 1 133 133 LYS N N 133 131.670 131.670 128.420 3.250 25104 17998 1 20 . 1 1 133 133 LYS HA H 133 4.483 4.483 4.342 0.141 25104 17999 1 20 . 1 1 133 133 LYS C C 133 176.283 176.283 177.052 -0.769 25104 18000 1 20 . 1 1 133 133 LYS CA C 133 56.978 56.978 57.353 -0.375 25104 18001 1 20 . 1 1 133 133 LYS CB C 133 34.028 34.028 33.287 0.741 25104 18002 1 20 . 1 1 133 133 LYS H H 133 9.494 9.494 8.387 1.107 25104 18003 1 20 . 1 1 134 134 GLU N N 134 118.417 118.417 119.478 -1.061 25104 18004 1 20 . 1 1 134 134 GLU HA H 134 4.639 4.639 4.526 0.113 25104 18005 1 20 . 1 1 134 134 GLU C C 134 175.925 175.925 176.179 -0.254 25104 18006 1 20 . 1 1 134 134 GLU CA C 134 55.235 55.235 55.532 -0.297 25104 18007 1 20 . 1 1 134 134 GLU CB C 134 32.909 32.909 32.593 0.316 25104 18008 1 20 . 1 1 134 134 GLU H H 134 7.571 7.571 7.835 -0.264 25104 18009 1 20 . 1 1 135 135 GLY N N 135 108.109 108.109 109.999 -1.890 25104 18010 1 20 . 1 1 135 135 GLY C C 135 178.060 178.060 175.661 2.399 25104 18011 1 20 . 1 1 135 135 GLY CA C 135 46.195 46.195 45.498 0.697 25104 18012 1 20 . 1 1 135 135 GLY H H 135 8.695 8.695 8.778 -0.083 25104 18013 1 20 . 1 1 136 136 MET N N 136 122.582 122.582 119.166 3.416 25104 18014 1 20 . 1 1 136 136 MET HA H 136 4.496 4.496 4.089 0.407 25104 18015 1 20 . 1 1 136 136 MET C C 136 178.649 178.649 176.812 1.837 25104 18016 1 20 . 1 1 136 136 MET CA C 136 56.829 56.829 56.588 0.241 25104 18017 1 20 . 1 1 136 136 MET CB C 136 30.215 30.215 32.423 -2.208 25104 18018 1 20 . 1 1 136 136 MET H H 136 8.854 8.854 8.417 0.437 25104 18019 1 20 . 1 1 137 137 ASN N N 137 114.457 114.457 117.190 -2.733 25104 18020 1 20 . 1 1 137 137 ASN HA H 137 4.504 4.504 4.625 -0.121 25104 18021 1 20 . 1 1 137 137 ASN C C 137 178.441 178.441 177.591 0.850 25104 18022 1 20 . 1 1 137 137 ASN CA C 137 55.819 55.819 55.632 0.187 25104 18023 1 20 . 1 1 137 137 ASN CB C 137 36.016 36.016 38.173 -2.157 25104 18024 1 20 . 1 1 137 137 ASN H H 137 8.932 8.932 8.530 0.402 25104 18025 1 20 . 1 1 138 138 ILE N N 138 124.190 124.190 120.104 4.086 25104 18026 1 20 . 1 1 138 138 ILE HA H 138 3.800 3.800 3.861 -0.061 25104 18027 1 20 . 1 1 138 138 ILE C C 138 178.595 178.595 177.526 1.069 25104 18028 1 20 . 1 1 138 138 ILE CA C 138 61.581 61.581 63.505 -1.924 25104 18029 1 20 . 1 1 138 138 ILE CB C 138 34.468 34.468 36.892 -2.424 25104 18030 1 20 . 1 1 138 138 ILE H H 138 7.686 7.686 7.413 0.273 25104 18031 1 20 . 1 1 139 139 VAL N N 139 121.912 121.912 120.507 1.405 25104 18032 1 20 . 1 1 139 139 VAL HA H 139 3.879 3.879 3.711 0.168 25104 18033 1 20 . 1 1 139 139 VAL C C 139 179.051 179.051 178.777 0.274 25104 18034 1 20 . 1 1 139 139 VAL CA C 139 66.206 66.206 65.797 0.409 25104 18035 1 20 . 1 1 139 139 VAL CB C 139 31.195 31.195 30.644 0.551 25104 18036 1 20 . 1 1 139 139 VAL H H 139 7.286 7.286 7.427 -0.141 25104 18037 1 20 . 1 1 140 140 GLU N N 140 117.357 117.357 119.198 -1.841 25104 18038 1 20 . 1 1 140 140 GLU HA H 140 4.095 4.095 3.979 0.116 25104 18039 1 20 . 1 1 140 140 GLU C C 140 180.486 180.486 178.767 1.719 25104 18040 1 20 . 1 1 140 140 GLU CA C 140 59.336 59.336 59.169 0.167 25104 18041 1 20 . 1 1 140 140 GLU CB C 140 30.199 30.199 29.166 1.033 25104 18042 1 20 . 1 1 140 140 GLU H H 140 8.309 8.309 8.105 0.204 25104 18043 1 20 . 1 1 141 141 ALA N N 141 121.133 121.133 122.229 -1.096 25104 18044 1 20 . 1 1 141 141 ALA HA H 141 4.118 4.118 3.871 0.247 25104 18045 1 20 . 1 1 141 141 ALA C C 141 181.524 181.524 179.204 2.320 25104 18046 1 20 . 1 1 141 141 ALA CA C 141 54.771 54.771 54.626 0.145 25104 18047 1 20 . 1 1 141 141 ALA CB C 141 18.207 18.207 18.209 -0.002 25104 18048 1 20 . 1 1 141 141 ALA H H 141 7.539 7.539 7.625 -0.086 25104 18049 1 20 . 1 1 142 142 MET N N 142 117.513 117.513 117.364 0.149 25104 18050 1 20 . 1 1 142 142 MET HA H 142 3.993 3.993 4.237 -0.244 25104 18051 1 20 . 1 1 142 142 MET C C 142 178.862 178.862 178.883 -0.021 25104 18052 1 20 . 1 1 142 142 MET CA C 142 59.678 59.678 59.019 0.659 25104 18053 1 20 . 1 1 142 142 MET CB C 142 33.723 33.723 32.316 1.407 25104 18054 1 20 . 1 1 142 142 MET H H 142 8.284 8.284 7.799 0.485 25104 18055 1 20 . 1 1 143 143 GLU N N 143 116.365 116.365 120.304 -3.939 25104 18056 1 20 . 1 1 143 143 GLU HA H 143 3.772 3.772 4.001 -0.229 25104 18057 1 20 . 1 1 143 143 GLU C C 143 179.051 179.051 178.975 0.076 25104 18058 1 20 . 1 1 143 143 GLU CA C 143 59.345 59.345 59.591 -0.246 25104 18059 1 20 . 1 1 143 143 GLU CB C 143 30.470 30.470 29.503 0.967 25104 18060 1 20 . 1 1 143 143 GLU H H 143 7.853 7.853 7.927 -0.074 25104 18061 1 20 . 1 1 144 144 ARG N N 144 114.753 114.753 116.131 -1.378 25104 18062 1 20 . 1 1 144 144 ARG HA H 144 3.978 3.978 4.085 -0.107 25104 18063 1 20 . 1 1 144 144 ARG C C 144 178.222 178.222 177.270 0.952 25104 18064 1 20 . 1 1 144 144 ARG CA C 144 57.669 57.669 57.901 -0.232 25104 18065 1 20 . 1 1 144 144 ARG CB C 144 29.523 29.523 29.912 -0.389 25104 18066 1 20 . 1 1 144 144 ARG H H 144 7.082 7.082 7.286 -0.204 25104 18067 1 20 . 1 1 145 145 PHE N N 145 115.388 115.388 116.461 -1.073 25104 18068 1 20 . 1 1 145 145 PHE HA H 145 4.851 4.851 4.575 0.276 25104 18069 1 20 . 1 1 145 145 PHE C C 145 176.868 176.868 175.558 1.310 25104 18070 1 20 . 1 1 145 145 PHE CA C 145 57.717 57.717 57.336 0.381 25104 18071 1 20 . 1 1 145 145 PHE CB C 145 38.998 38.998 38.773 0.225 25104 18072 1 20 . 1 1 145 145 PHE H H 145 7.651 7.651 7.294 0.357 25104 18073 1 20 . 1 1 146 146 GLY N N 146 104.842 104.842 106.308 -1.466 25104 18074 1 20 . 1 1 146 146 GLY C C 146 172.946 172.946 173.299 -0.353 25104 18075 1 20 . 1 1 146 146 GLY CA C 146 44.065 44.065 44.011 0.054 25104 18076 1 20 . 1 1 146 146 GLY H H 146 7.551 7.551 7.467 0.084 25104 18077 1 20 . 1 1 147 147 SER N N 147 110.079 110.079 112.832 -2.753 25104 18078 1 20 . 1 1 147 147 SER HA H 147 4.813 4.813 4.867 -0.054 25104 18079 1 20 . 1 1 147 147 SER C C 147 176.384 176.384 175.595 0.789 25104 18080 1 20 . 1 1 147 147 SER CA C 147 58.165 58.165 57.002 1.163 25104 18081 1 20 . 1 1 147 147 SER CB C 147 65.804 65.804 66.543 -0.739 25104 18082 1 20 . 1 1 147 147 SER H H 147 8.229 8.229 8.077 0.152 25104 18083 1 20 . 1 1 148 148 ARG N N 148 120.299 120.299 121.721 -1.422 25104 18084 1 20 . 1 1 148 148 ARG HA H 148 4.221 4.221 4.161 0.060 25104 18085 1 20 . 1 1 148 148 ARG C C 148 177.709 177.709 176.656 1.053 25104 18086 1 20 . 1 1 148 148 ARG CA C 148 59.810 59.810 58.255 1.555 25104 18087 1 20 . 1 1 148 148 ARG CB C 148 29.896 29.896 29.702 0.194 25104 18088 1 20 . 1 1 148 148 ARG H H 148 8.850 8.850 8.736 0.114 25104 18089 1 20 . 1 1 149 149 ASN N N 149 111.689 111.689 113.790 -2.101 25104 18090 1 20 . 1 1 149 149 ASN HA H 149 4.901 4.901 4.683 0.218 25104 18091 1 20 . 1 1 149 149 ASN C C 149 177.708 177.708 175.958 1.750 25104 18092 1 20 . 1 1 149 149 ASN CA C 149 52.305 52.305 52.753 -0.448 25104 18093 1 20 . 1 1 149 149 ASN CB C 149 38.477 38.477 37.809 0.668 25104 18094 1 20 . 1 1 149 149 ASN H H 149 7.891 7.891 7.904 -0.013 25104 18095 1 20 . 1 1 150 150 GLY N N 150 110.138 110.138 108.188 1.950 25104 18096 1 20 . 1 1 150 150 GLY C C 150 174.368 174.368 173.409 0.959 25104 18097 1 20 . 1 1 150 150 GLY CA C 150 45.257 45.257 45.099 0.158 25104 18098 1 20 . 1 1 150 150 GLY H H 150 8.087 8.087 8.141 -0.054 25104 18099 1 20 . 1 1 151 151 LYS N N 151 119.859 119.859 122.578 -2.719 25104 18100 1 20 . 1 1 151 151 LYS HA H 151 4.466 4.466 4.350 0.116 25104 18101 1 20 . 1 1 151 151 LYS C C 151 179.533 179.533 176.294 3.239 25104 18102 1 20 . 1 1 151 151 LYS CA C 151 57.088 57.088 56.157 0.930 25104 18103 1 20 . 1 1 151 151 LYS CB C 151 32.435 32.435 33.580 -1.145 25104 18104 1 20 . 1 1 151 151 LYS H H 151 7.534 7.534 7.664 -0.130 25104 18105 1 20 . 1 1 152 152 THR N N 152 116.442 116.442 118.131 -1.689 25104 18106 1 20 . 1 1 152 152 THR HA H 152 5.579 5.579 4.777 0.802 25104 18107 1 20 . 1 1 152 152 THR C C 152 176.969 176.969 175.186 1.783 25104 18108 1 20 . 1 1 152 152 THR CA C 152 60.097 60.097 61.438 -1.341 25104 18109 1 20 . 1 1 152 152 THR CB C 152 71.324 71.324 69.233 2.091 25104 18110 1 20 . 1 1 152 152 THR H H 152 8.837 8.837 8.542 0.295 25104 18111 1 20 . 1 1 153 153 SER N N 153 117.113 117.113 121.266 -4.153 25104 18112 1 20 . 1 1 153 153 SER HA H 153 4.574 4.574 4.290 0.284 25104 18113 1 20 . 1 1 153 153 SER C C 153 175.737 175.737 174.517 1.220 25104 18114 1 20 . 1 1 153 153 SER CA C 153 58.222 58.222 61.265 -3.043 25104 18115 1 20 . 1 1 153 153 SER CB C 153 63.922 63.922 63.639 0.283 25104 18116 1 20 . 1 1 153 153 SER H H 153 9.424 9.424 8.865 0.559 25104 18117 1 20 . 1 1 154 154 LYS N N 154 119.347 119.347 120.324 -0.977 25104 18118 1 20 . 1 1 154 154 LYS HA H 154 4.594 4.594 4.483 0.111 25104 18119 1 20 . 1 1 154 154 LYS C C 154 175.436 175.436 175.240 0.196 25104 18120 1 20 . 1 1 154 154 LYS CA C 154 54.578 54.578 53.831 0.746 25104 18121 1 20 . 1 1 154 154 LYS CB C 154 38.443 38.443 33.700 4.743 25104 18122 1 20 . 1 1 154 154 LYS H H 154 7.566 7.566 7.465 0.101 25104 18123 1 20 . 1 1 155 155 LYS N N 155 121.869 121.869 126.605 -4.736 25104 18124 1 20 . 1 1 155 155 LYS HA H 155 4.348 4.348 4.250 0.098 25104 18125 1 20 . 1 1 155 155 LYS C C 155 176.946 176.946 175.559 1.387 25104 18126 1 20 . 1 1 155 155 LYS CA C 155 56.325 56.325 56.677 -0.352 25104 18127 1 20 . 1 1 155 155 LYS CB C 155 32.136 32.136 32.444 -0.308 25104 18128 1 20 . 1 1 155 155 LYS H H 155 8.820 8.820 8.580 0.240 25104 18129 1 20 . 1 1 156 156 ILE N N 156 134.145 134.145 127.837 6.308 25104 18130 1 20 . 1 1 156 156 ILE HA H 156 5.134 5.134 4.973 0.161 25104 18131 1 20 . 1 1 156 156 ILE C C 156 177.451 177.451 175.802 1.649 25104 18132 1 20 . 1 1 156 156 ILE CA C 156 59.538 59.538 60.036 -0.498 25104 18133 1 20 . 1 1 156 156 ILE CB C 156 37.167 37.167 39.726 -2.559 25104 18134 1 20 . 1 1 156 156 ILE H H 156 9.609 9.609 8.297 1.312 25104 18135 1 20 . 1 1 157 157 THR N N 157 117.447 117.447 116.250 1.197 25104 18136 1 20 . 1 1 157 157 THR HA H 157 5.311 5.311 5.241 0.070 25104 18137 1 20 . 1 1 157 157 THR C C 157 174.572 174.572 174.261 0.311 25104 18138 1 20 . 1 1 157 157 THR CA C 157 59.679 59.679 59.364 0.315 25104 18139 1 20 . 1 1 157 157 THR CB C 157 72.708 72.708 72.142 0.566 25104 18140 1 20 . 1 1 157 157 THR H H 157 9.281 9.281 8.736 0.545 25104 18141 1 20 . 1 1 158 158 ILE N N 158 121.950 121.950 122.935 -0.985 25104 18142 1 20 . 1 1 158 158 ILE HA H 158 4.293 4.293 4.355 -0.062 25104 18143 1 20 . 1 1 158 158 ILE C C 158 175.631 175.631 176.435 -0.804 25104 18144 1 20 . 1 1 158 158 ILE CA C 158 60.992 60.992 61.594 -0.602 25104 18145 1 20 . 1 1 158 158 ILE CB C 158 36.826 36.826 36.735 0.091 25104 18146 1 20 . 1 1 158 158 ILE H H 158 8.624 8.624 8.323 0.301 25104 18147 1 20 . 1 1 159 159 ALA N N 159 132.727 132.727 130.551 2.176 25104 18148 1 20 . 1 1 159 159 ALA HA H 159 4.179 4.179 4.037 0.142 25104 18149 1 20 . 1 1 159 159 ALA C C 159 179.489 179.489 176.987 2.502 25104 18150 1 20 . 1 1 159 159 ALA CA C 159 54.243 54.243 54.821 -0.578 25104 18151 1 20 . 1 1 159 159 ALA CB C 159 18.804 18.804 19.379 -0.575 25104 18152 1 20 . 1 1 159 159 ALA H H 159 8.910 8.910 8.756 0.154 25104 18153 1 20 . 1 1 160 160 ASP N N 160 111.561 111.561 111.071 0.490 25104 18154 1 20 . 1 1 160 160 ASP HA H 160 4.937 4.937 4.893 0.044 25104 18155 1 20 . 1 1 160 160 ASP C C 160 173.920 173.920 174.306 -0.386 25104 18156 1 20 . 1 1 160 160 ASP CA C 160 52.873 52.873 53.898 -1.025 25104 18157 1 20 . 1 1 160 160 ASP CB C 160 43.620 43.620 43.780 -0.160 25104 18158 1 20 . 1 1 160 160 ASP H H 160 8.107 8.107 7.631 0.476 25104 18159 1 20 . 1 1 161 161 CYS N N 161 116.145 116.145 116.989 -0.844 25104 18160 1 20 . 1 1 161 161 CYS HA H 161 4.626 4.626 5.938 -1.312 25104 18161 1 20 . 1 1 161 161 CYS C C 161 173.426 173.426 174.389 -0.963 25104 18162 1 20 . 1 1 161 161 CYS CA C 161 55.518 55.518 56.370 -0.852 25104 18163 1 20 . 1 1 161 161 CYS CB C 161 31.463 31.463 32.549 -1.086 25104 18164 1 20 . 1 1 161 161 CYS H H 161 8.640 8.640 8.707 -0.067 25104 18165 1 20 . 1 1 162 162 GLY N N 162 104.114 104.114 108.211 -4.097 25104 18166 1 20 . 1 1 162 162 GLY C C 162 171.116 171.116 173.178 -2.062 25104 18167 1 20 . 1 1 162 162 GLY CA C 162 45.436 45.436 44.883 0.553 25104 18168 1 20 . 1 1 162 162 GLY H H 162 6.889 6.889 8.581 -1.692 25104 18169 1 20 . 1 1 163 163 GLN N N 163 121.022 121.022 118.933 2.089 25104 18170 1 20 . 1 1 163 163 GLN HA H 163 5.150 5.150 4.242 0.908 25104 18171 1 20 . 1 1 163 163 GLN C C 163 176.548 176.548 174.629 1.919 25104 18172 1 20 . 1 1 163 163 GLN CA C 163 54.794 54.794 56.153 -1.359 25104 18173 1 20 . 1 1 163 163 GLN CB C 163 30.765 30.765 29.266 1.499 25104 18174 1 20 . 1 1 163 163 GLN H H 163 9.062 9.062 8.013 1.049 25104 18175 1 20 . 1 1 164 164 LEU N N 164 126.034 126.034 126.390 -0.356 25104 18176 1 20 . 1 1 164 164 LEU HA H 164 4.641 4.641 4.466 0.175 25104 18177 1 20 . 1 1 164 164 LEU C C 164 177.108 177.108 175.736 1.372 25104 18178 1 20 . 1 1 164 164 LEU CA C 164 55.036 55.036 54.390 0.646 25104 18179 1 20 . 1 1 164 164 LEU CB C 164 43.560 43.560 41.437 2.123 25104 18180 1 20 . 1 1 164 164 LEU H H 164 8.639 8.639 8.189 0.450 25104 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 157 3.455 0.706 3.393 25104 2 1 1 "Average Difference" HA 183 0.504 -0.106 0.494 25104 3 1 1 "Average Difference" C 155 1.865 -1.056 1.543 25104 4 1 1 "Average Difference" CA 162 1.274 0.091 1.274 25104 5 1 1 "Average Difference" CB 138 1.470 -0.272 1.450 25104 6 1 1 "Average Difference" HN 157 0.746 -0.288 0.690 25104 7 1 2 "Average Difference" N 157 3.388 0.961 3.259 25104 8 1 2 "Average Difference" HA 183 0.500 -0.117 0.487 25104 9 1 2 "Average Difference" C 155 1.796 -0.960 1.522 25104 10 1 2 "Average Difference" CA 162 1.345 0.151 1.340 25104 11 1 2 "Average Difference" CB 138 1.362 -0.298 1.334 25104 12 1 2 "Average Difference" HN 157 0.763 -0.272 0.716 25104 13 1 3 "Average Difference" N 157 3.484 0.691 3.426 25104 14 1 3 "Average Difference" HA 183 0.494 -0.111 0.483 25104 15 1 3 "Average Difference" C 155 1.798 -0.962 1.524 25104 16 1 3 "Average Difference" CA 162 1.378 0.073 1.380 25104 17 1 3 "Average Difference" CB 138 1.405 -0.290 1.379 25104 18 1 3 "Average Difference" HN 157 0.772 -0.270 0.725 25104 19 1 4 "Average Difference" N 157 3.644 0.856 3.553 25104 20 1 4 "Average Difference" HA 183 0.493 -0.128 0.477 25104 21 1 4 "Average Difference" C 155 1.865 -1.013 1.572 25104 22 1 4 "Average Difference" CA 162 1.283 0.151 1.278 25104 23 1 4 "Average Difference" CB 138 1.393 -0.281 1.370 25104 24 1 4 "Average Difference" HN 157 0.750 -0.267 0.703 25104 25 1 5 "Average Difference" N 157 3.394 0.701 3.331 25104 26 1 5 "Average Difference" HA 183 0.495 -0.110 0.484 25104 27 1 5 "Average Difference" C 155 1.773 -0.909 1.527 25104 28 1 5 "Average Difference" CA 162 1.421 0.164 1.416 25104 29 1 5 "Average Difference" CB 138 1.409 -0.291 1.384 25104 30 1 5 "Average Difference" HN 157 0.752 -0.274 0.703 25104 31 1 6 "Average Difference" N 157 3.340 0.645 3.288 25104 32 1 6 "Average Difference" HA 183 0.499 -0.102 0.490 25104 33 1 6 "Average Difference" C 155 1.831 -1.002 1.538 25104 34 1 6 "Average Difference" CA 162 1.311 0.122 1.310 25104 35 1 6 "Average Difference" CB 138 1.363 -0.223 1.349 25104 36 1 6 "Average Difference" HN 157 0.773 -0.271 0.726 25104 37 1 7 "Average Difference" N 157 3.563 0.412 3.550 25104 38 1 7 "Average Difference" HA 183 0.464 -0.113 0.451 25104 39 1 7 "Average Difference" C 155 1.788 -0.988 1.495 25104 40 1 7 "Average Difference" CA 162 1.258 0.133 1.255 25104 41 1 7 "Average Difference" CB 138 1.439 -0.222 1.427 25104 42 1 7 "Average Difference" HN 157 0.776 -0.298 0.719 25104 43 1 8 "Average Difference" N 157 3.619 0.719 3.559 25104 44 1 8 "Average Difference" HA 183 0.499 -0.117 0.487 25104 45 1 8 "Average Difference" C 155 1.859 -0.995 1.575 25104 46 1 8 "Average Difference" CA 162 1.348 0.144 1.344 25104 47 1 8 "Average Difference" CB 138 1.454 -0.340 1.418 25104 48 1 8 "Average Difference" HN 157 0.770 -0.281 0.719 25104 49 1 9 "Average Difference" N 157 3.488 0.555 3.454 25104 50 1 9 "Average Difference" HA 183 0.495 -0.104 0.485 25104 51 1 9 "Average Difference" C 155 1.848 -0.971 1.577 25104 52 1 9 "Average Difference" CA 162 1.303 0.172 1.295 25104 53 1 9 "Average Difference" CB 138 1.408 -0.289 1.383 25104 54 1 9 "Average Difference" HN 157 0.771 -0.277 0.721 25104 55 1 10 "Average Difference" N 157 3.707 0.683 3.655 25104 56 1 10 "Average Difference" HA 183 0.490 -0.116 0.477 25104 57 1 10 "Average Difference" C 155 1.804 -0.963 1.530 25104 58 1 10 "Average Difference" CA 162 1.366 0.166 1.360 25104 59 1 10 "Average Difference" CB 138 1.415 -0.315 1.384 25104 60 1 10 "Average Difference" HN 157 0.760 -0.273 0.711 25104 61 1 11 "Average Difference" N 157 3.558 0.796 3.479 25104 62 1 11 "Average Difference" HA 183 0.496 -0.119 0.483 25104 63 1 11 "Average Difference" C 155 1.784 -0.970 1.502 25104 64 1 11 "Average Difference" CA 162 1.360 0.120 1.359 25104 65 1 11 "Average Difference" CB 138 1.351 -0.329 1.315 25104 66 1 11 "Average Difference" HN 157 0.756 -0.275 0.707 25104 67 1 12 "Average Difference" N 157 3.399 0.606 3.355 25104 68 1 12 "Average Difference" HA 183 0.479 -0.119 0.465 25104 69 1 12 "Average Difference" C 155 1.834 -0.991 1.548 25104 70 1 12 "Average Difference" CA 162 1.380 0.119 1.379 25104 71 1 12 "Average Difference" CB 138 1.396 -0.350 1.356 25104 72 1 12 "Average Difference" HN 157 0.766 -0.270 0.719 25104 73 1 13 "Average Difference" N 157 3.515 0.640 3.467 25104 74 1 13 "Average Difference" HA 183 0.497 -0.121 0.483 25104 75 1 13 "Average Difference" C 155 1.783 -0.970 1.501 25104 76 1 13 "Average Difference" CA 162 1.380 0.163 1.375 25104 77 1 13 "Average Difference" CB 138 1.427 -0.317 1.397 25104 78 1 13 "Average Difference" HN 157 0.771 -0.282 0.720 25104 79 1 14 "Average Difference" N 157 3.488 0.568 3.453 25104 80 1 14 "Average Difference" HA 183 0.494 -0.118 0.481 25104 81 1 14 "Average Difference" C 155 1.788 -0.943 1.524 25104 82 1 14 "Average Difference" CA 162 1.357 0.141 1.354 25104 83 1 14 "Average Difference" CB 138 1.510 -0.295 1.486 25104 84 1 14 "Average Difference" HN 157 0.792 -0.286 0.741 25104 85 1 15 "Average Difference" N 157 3.715 0.854 3.627 25104 86 1 15 "Average Difference" HA 183 0.491 -0.138 0.473 25104 87 1 15 "Average Difference" C 155 1.763 -0.960 1.484 25104 88 1 15 "Average Difference" CA 162 1.367 0.159 1.362 25104 89 1 15 "Average Difference" CB 138 1.351 -0.318 1.318 25104 90 1 15 "Average Difference" HN 157 0.750 -0.280 0.698 25104 91 1 16 "Average Difference" N 157 3.614 0.542 3.585 25104 92 1 16 "Average Difference" HA 183 0.488 -0.114 0.476 25104 93 1 16 "Average Difference" C 155 1.805 -0.993 1.512 25104 94 1 16 "Average Difference" CA 162 1.301 0.108 1.300 25104 95 1 16 "Average Difference" CB 138 1.446 -0.267 1.427 25104 96 1 16 "Average Difference" HN 157 0.769 -0.266 0.723 25104 97 1 17 "Average Difference" N 157 3.494 0.594 3.454 25104 98 1 17 "Average Difference" HA 183 0.484 -0.107 0.474 25104 99 1 17 "Average Difference" C 155 1.864 -1.073 1.529 25104 100 1 17 "Average Difference" CA 162 1.295 0.177 1.286 25104 101 1 17 "Average Difference" CB 138 1.414 -0.207 1.404 25104 102 1 17 "Average Difference" HN 157 0.762 -0.270 0.715 25104 103 1 18 "Average Difference" N 157 3.460 0.789 3.380 25104 104 1 18 "Average Difference" HA 183 0.500 -0.124 0.486 25104 105 1 18 "Average Difference" C 155 1.800 -0.938 1.542 25104 106 1 18 "Average Difference" CA 162 1.316 0.150 1.312 25104 107 1 18 "Average Difference" CB 138 1.413 -0.311 1.383 25104 108 1 18 "Average Difference" HN 157 0.749 -0.274 0.699 25104 109 1 19 "Average Difference" N 157 3.699 0.628 3.657 25104 110 1 19 "Average Difference" HA 183 0.477 -0.127 0.461 25104 111 1 19 "Average Difference" C 155 1.808 -0.973 1.529 25104 112 1 19 "Average Difference" CA 162 1.344 0.081 1.346 25104 113 1 19 "Average Difference" CB 138 1.411 -0.342 1.374 25104 114 1 19 "Average Difference" HN 157 0.742 -0.288 0.686 25104 115 1 20 "Average Difference" N 157 3.633 0.523 3.607 25104 116 1 20 "Average Difference" HA 183 0.514 -0.116 0.502 25104 117 1 20 "Average Difference" C 155 1.811 -1.003 1.512 25104 118 1 20 "Average Difference" CA 162 1.350 0.099 1.350 25104 119 1 20 "Average Difference" CB 138 1.411 -0.233 1.397 25104 120 1 20 "Average Difference" HN 157 0.758 -0.271 0.711 25104 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 25104 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 VAL N N 2 111.261 111.261 122.019 -10.758 25104 2 1 . 1 1 2 2 VAL HA H 2 4.126 4.126 4.084 0.042 25104 3 1 . 1 1 2 2 VAL C C 2 176.404 176.404 174.920 1.484 25104 4 1 . 1 1 2 2 VAL CA C 2 61.417 61.417 62.696 -1.279 25104 5 1 . 1 1 2 2 VAL CB C 2 33.763 33.763 31.928 1.835 25104 6 1 . 1 1 2 2 VAL H H 2 8.447 8.447 8.355 0.092 25104 7 1 . 1 1 3 3 ASN N N 3 126.056 126.056 121.606 4.450 25104 8 1 . 1 1 3 3 ASN HA H 3 5.205 5.205 5.001 0.204 25104 9 1 . 1 1 3 3 ASN CA C 3 50.987 50.987 51.669 -0.682 25104 10 1 . 1 1 3 3 ASN CB C 3 38.031 38.031 38.934 -0.903 25104 11 1 . 1 1 3 3 ASN H H 3 8.666 8.666 7.983 0.683 25104 12 1 . 1 1 4 4 PRO HA H 4 4.818 4.818 4.429 0.389 25104 13 1 . 1 1 4 4 PRO C C 4 176.242 176.242 176.068 0.174 25104 14 1 . 1 1 4 4 PRO CA C 4 62.832 62.832 62.875 -0.043 25104 15 1 . 1 1 4 4 PRO CB C 4 33.162 33.162 32.355 0.806 25104 16 1 . 1 1 5 5 THR N N 5 115.265 115.265 120.015 -4.750 25104 17 1 . 1 1 5 5 THR HA H 5 5.759 5.759 5.033 0.726 25104 18 1 . 1 1 5 5 THR C C 5 176.483 176.483 174.203 2.280 25104 19 1 . 1 1 5 5 THR CA C 5 60.867 60.867 62.074 -1.207 25104 20 1 . 1 1 5 5 THR CB C 5 71.050 71.050 70.169 0.881 25104 21 1 . 1 1 5 5 THR H H 5 8.787 8.787 8.071 0.716 25104 22 1 . 1 1 6 6 VAL N N 6 120.640 120.640 123.420 -2.780 25104 23 1 . 1 1 6 6 VAL HA H 6 5.379 5.379 4.392 0.987 25104 24 1 . 1 1 6 6 VAL C C 6 174.710 174.710 173.939 0.771 25104 25 1 . 1 1 6 6 VAL CA C 6 58.881 58.881 60.693 -1.812 25104 26 1 . 1 1 6 6 VAL CB C 6 36.180 36.180 33.378 2.802 25104 27 1 . 1 1 6 6 VAL H H 6 8.805 8.805 8.569 0.236 25104 28 1 . 1 1 7 7 PHE N N 7 119.359 119.359 126.867 -7.508 25104 29 1 . 1 1 7 7 PHE HA H 7 5.948 5.948 5.073 0.875 25104 30 1 . 1 1 7 7 PHE C C 7 173.634 173.634 173.421 0.213 25104 31 1 . 1 1 7 7 PHE CA C 7 55.925 55.925 56.120 -0.195 25104 32 1 . 1 1 7 7 PHE CB C 7 43.166 43.166 42.082 1.084 25104 33 1 . 1 1 7 7 PHE H H 7 8.995 8.995 8.327 0.668 25104 34 1 . 1 1 8 8 PHE N N 8 117.097 117.097 123.732 -6.635 25104 35 1 . 1 1 8 8 PHE HA H 8 5.367 5.367 5.144 0.222 25104 36 1 . 1 1 8 8 PHE C C 8 176.000 176.000 174.005 1.995 25104 37 1 . 1 1 8 8 PHE CA C 8 53.460 53.460 55.367 -1.907 25104 38 1 . 1 1 8 8 PHE CB C 8 42.791 42.791 43.509 -0.718 25104 39 1 . 1 1 8 8 PHE H H 8 9.571 9.571 8.513 1.058 25104 40 1 . 1 1 9 9 ASP N N 9 124.287 124.287 122.120 2.167 25104 41 1 . 1 1 9 9 ASP HA H 9 5.585 5.585 5.072 0.513 25104 42 1 . 1 1 9 9 ASP C C 9 176.286 176.286 175.002 1.284 25104 43 1 . 1 1 9 9 ASP CA C 9 54.831 54.831 53.801 1.030 25104 44 1 . 1 1 9 9 ASP CB C 9 41.366 41.366 42.947 -1.581 25104 45 1 . 1 1 9 9 ASP H H 9 9.301 9.301 8.657 0.644 25104 46 1 . 1 1 10 10 ILE N N 10 124.286 124.286 123.974 0.311 25104 47 1 . 1 1 10 10 ILE HA H 10 5.213 5.213 4.324 0.889 25104 48 1 . 1 1 10 10 ILE C C 10 177.031 177.031 174.636 2.395 25104 49 1 . 1 1 10 10 ILE CA C 10 58.233 58.233 59.315 -1.082 25104 50 1 . 1 1 10 10 ILE CB C 10 37.769 37.769 37.172 0.597 25104 51 1 . 1 1 10 10 ILE H H 10 9.059 9.059 8.369 0.690 25104 52 1 . 1 1 11 11 ALA N N 11 132.503 132.503 130.693 1.810 25104 53 1 . 1 1 11 11 ALA HA H 11 5.216 5.216 5.043 0.173 25104 54 1 . 1 1 11 11 ALA C C 11 175.928 175.928 175.491 0.437 25104 55 1 . 1 1 11 11 ALA CA C 11 50.948 50.948 50.344 0.604 25104 56 1 . 1 1 11 11 ALA CB C 11 22.804 22.804 22.210 0.594 25104 57 1 . 1 1 11 11 ALA H H 11 9.642 9.642 8.804 0.839 25104 58 1 . 1 1 12 12 VAL N N 12 118.551 118.551 123.577 -5.026 25104 59 1 . 1 1 12 12 VAL HA H 12 4.578 4.578 4.048 0.530 25104 60 1 . 1 1 12 12 VAL C C 12 177.347 177.347 175.838 1.509 25104 61 1 . 1 1 12 12 VAL CA C 12 60.457 60.457 61.794 -1.337 25104 62 1 . 1 1 12 12 VAL CB C 12 33.301 33.301 31.983 1.318 25104 63 1 . 1 1 12 12 VAL H H 12 8.984 8.984 8.365 0.619 25104 64 1 . 1 1 13 13 ASP N N 13 131.009 131.009 127.930 3.079 25104 65 1 . 1 1 13 13 ASP HA H 13 4.359 4.359 4.254 0.105 25104 66 1 . 1 1 13 13 ASP C C 13 176.795 176.795 176.448 0.347 25104 67 1 . 1 1 13 13 ASP CA C 13 55.880 55.880 55.471 0.409 25104 68 1 . 1 1 13 13 ASP CB C 13 39.999 39.999 39.305 0.694 25104 69 1 . 1 1 13 13 ASP H H 13 9.868 9.868 8.978 0.890 25104 70 1 . 1 1 14 14 GLY N N 14 101.848 101.848 104.079 -2.231 25104 71 1 . 1 1 14 14 GLY C C 14 174.700 174.700 174.381 0.319 25104 72 1 . 1 1 14 14 GLY CA C 14 45.303 45.303 45.206 0.097 25104 73 1 . 1 1 14 14 GLY H H 14 8.578 8.578 8.210 0.368 25104 74 1 . 1 1 15 15 GLU N N 15 123.331 123.331 122.361 0.970 25104 75 1 . 1 1 15 15 GLU HA H 15 4.891 4.891 4.714 0.177 25104 76 1 . 1 1 15 15 GLU CA C 15 52.932 52.932 53.068 -0.136 25104 77 1 . 1 1 15 15 GLU CB C 15 30.468 30.468 29.594 0.874 25104 78 1 . 1 1 15 15 GLU H H 15 8.086 8.086 7.653 0.433 25104 79 1 . 1 1 16 16 PRO HA H 16 4.240 4.240 4.396 -0.156 25104 80 1 . 1 1 16 16 PRO C C 16 177.072 177.072 176.204 0.868 25104 81 1 . 1 1 16 16 PRO CA C 16 64.838 64.838 63.475 1.363 25104 82 1 . 1 1 16 16 PRO CB C 16 32.368 32.368 31.688 0.680 25104 83 1 . 1 1 17 17 LEU N N 17 126.051 126.051 126.832 -0.781 25104 84 1 . 1 1 17 17 LEU HA H 17 4.739 4.739 4.330 0.409 25104 85 1 . 1 1 17 17 LEU C C 17 176.975 176.975 176.739 0.236 25104 86 1 . 1 1 17 17 LEU CA C 17 55.511 55.511 55.677 -0.166 25104 87 1 . 1 1 17 17 LEU CB C 17 44.257 44.257 43.079 1.178 25104 88 1 . 1 1 17 17 LEU H H 17 9.237 9.237 8.474 0.763 25104 89 1 . 1 1 18 18 GLY N N 18 102.496 102.496 104.955 -2.459 25104 90 1 . 1 1 18 18 GLY C C 18 170.997 170.997 171.558 -0.561 25104 91 1 . 1 1 18 18 GLY CA C 18 44.713 44.713 44.889 -0.176 25104 92 1 . 1 1 18 18 GLY H H 18 7.303 7.303 7.594 -0.291 25104 93 1 . 1 1 19 19 ARG N N 19 121.330 121.330 119.524 1.806 25104 94 1 . 1 1 19 19 ARG HA H 19 5.665 5.665 4.751 0.914 25104 95 1 . 1 1 19 19 ARG C C 19 176.011 176.011 174.900 1.111 25104 96 1 . 1 1 19 19 ARG CA C 19 55.106 55.106 55.154 -0.048 25104 97 1 . 1 1 19 19 ARG CB C 19 33.587 33.587 32.791 0.796 25104 98 1 . 1 1 19 19 ARG H H 19 8.348 8.348 8.346 0.002 25104 99 1 . 1 1 20 20 VAL N N 20 126.859 126.859 123.681 3.178 25104 100 1 . 1 1 20 20 VAL HA H 20 4.650 4.650 4.490 0.160 25104 101 1 . 1 1 20 20 VAL C C 20 174.836 174.836 174.180 0.656 25104 102 1 . 1 1 20 20 VAL CA C 20 59.966 59.966 60.826 -0.860 25104 103 1 . 1 1 20 20 VAL CB C 20 35.034 35.034 35.092 -0.058 25104 104 1 . 1 1 20 20 VAL H H 20 9.400 9.400 8.327 1.073 25104 105 1 . 1 1 21 21 SER N N 21 120.319 120.319 120.655 -0.336 25104 106 1 . 1 1 21 21 SER HA H 21 5.565 5.565 5.312 0.253 25104 107 1 . 1 1 21 21 SER C C 21 174.694 174.694 173.528 1.166 25104 108 1 . 1 1 21 21 SER CA C 21 55.462 55.462 56.433 -0.971 25104 109 1 . 1 1 21 21 SER CB C 21 66.546 66.546 65.167 1.379 25104 110 1 . 1 1 21 21 SER H H 21 8.791 8.791 8.364 0.427 25104 111 1 . 1 1 22 22 PHE N N 22 119.239 119.239 123.366 -4.127 25104 112 1 . 1 1 22 22 PHE HA H 22 5.279 5.279 5.028 0.251 25104 113 1 . 1 1 22 22 PHE C C 22 176.190 176.190 175.317 0.873 25104 114 1 . 1 1 22 22 PHE CA C 22 55.882 55.882 56.544 -0.662 25104 115 1 . 1 1 22 22 PHE CB C 22 42.673 42.673 41.764 0.909 25104 116 1 . 1 1 22 22 PHE H H 22 9.553 9.553 9.077 0.476 25104 117 1 . 1 1 23 23 GLU N N 23 123.308 123.308 122.330 0.978 25104 118 1 . 1 1 23 23 GLU HA H 23 4.797 4.797 4.592 0.205 25104 119 1 . 1 1 23 23 GLU C C 23 175.673 175.673 175.338 0.335 25104 120 1 . 1 1 23 23 GLU CA C 23 55.119 55.119 55.127 -0.008 25104 121 1 . 1 1 23 23 GLU CB C 23 32.058 32.058 31.219 0.839 25104 122 1 . 1 1 23 23 GLU H H 23 8.791 8.791 8.746 0.045 25104 123 1 . 1 1 24 24 LEU N N 24 122.539 122.539 126.968 -4.429 25104 124 1 . 1 1 24 24 LEU HA H 24 4.749 4.749 4.711 0.038 25104 125 1 . 1 1 24 24 LEU C C 24 178.229 178.229 177.087 1.142 25104 126 1 . 1 1 24 24 LEU CA C 24 51.899 51.899 54.077 -2.178 25104 127 1 . 1 1 24 24 LEU CB C 24 43.248 43.248 42.653 0.595 25104 128 1 . 1 1 24 24 LEU H H 24 8.198 8.198 8.596 -0.398 25104 129 1 . 1 1 25 25 PHE N N 25 124.715 124.715 123.156 1.559 25104 130 1 . 1 1 25 25 PHE HA H 25 5.171 5.171 4.808 0.363 25104 131 1 . 1 1 25 25 PHE C C 25 177.485 177.485 175.626 1.859 25104 132 1 . 1 1 25 25 PHE CA C 25 54.699 54.699 57.124 -2.425 25104 133 1 . 1 1 25 25 PHE CB C 25 36.100 36.100 36.697 -0.597 25104 134 1 . 1 1 25 25 PHE H H 25 8.864 8.864 9.153 -0.289 25104 135 1 . 1 1 26 26 ALA N N 26 128.663 128.663 125.002 3.661 25104 136 1 . 1 1 26 26 ALA HA H 26 3.838 3.838 4.239 -0.401 25104 137 1 . 1 1 26 26 ALA C C 26 177.291 177.291 178.124 -0.833 25104 138 1 . 1 1 26 26 ALA CA C 26 54.316 54.316 54.517 -0.201 25104 139 1 . 1 1 26 26 ALA CB C 26 19.002 19.002 18.793 0.209 25104 140 1 . 1 1 26 26 ALA H H 26 8.480 8.480 7.790 0.690 25104 141 1 . 1 1 27 27 ASP N N 27 114.191 114.191 116.133 -1.943 25104 142 1 . 1 1 27 27 ASP HA H 27 4.197 4.197 4.483 -0.286 25104 143 1 . 1 1 27 27 ASP C C 27 177.976 177.976 177.099 0.877 25104 144 1 . 1 1 27 27 ASP CA C 27 55.410 55.410 55.916 -0.505 25104 145 1 . 1 1 27 27 ASP CB C 27 38.821 38.821 40.334 -1.513 25104 146 1 . 1 1 27 27 ASP H H 27 9.145 9.145 8.558 0.587 25104 147 1 . 1 1 28 28 LYS N N 28 118.107 118.107 118.571 -0.464 25104 148 1 . 1 1 28 28 LYS HA H 28 4.599 4.599 4.457 0.142 25104 149 1 . 1 1 28 28 LYS C C 28 177.840 177.840 177.234 0.606 25104 150 1 . 1 1 28 28 LYS CA C 28 56.262 56.262 57.444 -1.182 25104 151 1 . 1 1 28 28 LYS CB C 28 36.006 36.006 35.046 0.960 25104 152 1 . 1 1 28 28 LYS H H 28 7.569 7.569 7.666 -0.097 25104 153 1 . 1 1 29 29 VAL N N 29 114.551 114.551 114.818 -0.267 25104 154 1 . 1 1 29 29 VAL HA H 29 4.487 4.487 4.793 -0.305 25104 155 1 . 1 1 29 29 VAL CA C 29 58.309 58.309 58.677 -0.368 25104 156 1 . 1 1 29 29 VAL CB C 29 32.078 32.078 31.831 0.247 25104 157 1 . 1 1 29 29 VAL H H 29 8.364 8.364 8.085 0.279 25104 158 1 . 1 1 30 30 PRO HA H 30 4.450 4.450 4.358 0.092 25104 159 1 . 1 1 30 30 PRO C C 30 181.892 181.892 178.587 3.305 25104 160 1 . 1 1 30 30 PRO CA C 30 66.227 66.227 65.767 0.460 25104 161 1 . 1 1 30 30 PRO CB C 30 31.547 31.547 31.951 -0.404 25104 162 1 . 1 1 31 31 LYS N N 31 123.785 123.785 118.684 5.101 25104 163 1 . 1 1 31 31 LYS HA H 31 4.105 4.105 4.063 0.042 25104 164 1 . 1 1 31 31 LYS C C 31 182.749 182.749 178.638 4.111 25104 165 1 . 1 1 31 31 LYS CA C 31 61.057 61.057 59.910 1.147 25104 166 1 . 1 1 31 31 LYS CB C 31 32.468 32.468 32.037 0.431 25104 167 1 . 1 1 31 31 LYS H H 31 10.684 10.684 8.236 2.448 25104 168 1 . 1 1 32 32 THR N N 32 124.002 124.002 114.213 9.789 25104 169 1 . 1 1 32 32 THR HA H 32 4.034 4.034 4.249 -0.215 25104 170 1 . 1 1 32 32 THR C C 32 178.673 178.673 176.171 2.502 25104 171 1 . 1 1 32 32 THR CA C 32 67.526 67.526 66.296 1.230 25104 172 1 . 1 1 32 32 THR CB C 32 68.705 68.705 68.576 0.129 25104 173 1 . 1 1 32 32 THR H H 32 10.320 10.320 8.117 2.203 25104 174 1 . 1 1 33 33 ALA N N 33 125.616 125.616 123.708 1.908 25104 175 1 . 1 1 33 33 ALA HA H 33 4.092 4.092 4.281 -0.190 25104 176 1 . 1 1 33 33 ALA C C 33 179.174 179.174 179.019 0.155 25104 177 1 . 1 1 33 33 ALA CA C 33 55.972 55.972 55.015 0.957 25104 178 1 . 1 1 33 33 ALA CB C 33 18.414 18.414 18.331 0.083 25104 179 1 . 1 1 33 33 ALA H H 33 9.311 9.311 7.997 1.314 25104 180 1 . 1 1 34 34 GLU N N 34 117.376 117.376 119.223 -1.847 25104 181 1 . 1 1 34 34 GLU HA H 34 4.556 4.556 3.962 0.594 25104 182 1 . 1 1 34 34 GLU C C 34 178.418 178.418 178.557 -0.139 25104 183 1 . 1 1 34 34 GLU CA C 34 58.238 58.238 59.184 -0.946 25104 184 1 . 1 1 34 34 GLU CB C 34 28.181 28.181 29.554 -1.373 25104 185 1 . 1 1 34 34 GLU H H 34 8.069 8.069 8.047 0.022 25104 186 1 . 1 1 35 35 ASN N N 35 115.722 115.722 118.626 -2.904 25104 187 1 . 1 1 35 35 ASN HA H 35 4.108 4.108 4.289 -0.181 25104 188 1 . 1 1 35 35 ASN C C 35 175.568 175.568 177.194 -1.626 25104 189 1 . 1 1 35 35 ASN CA C 35 56.768 56.768 56.083 0.685 25104 190 1 . 1 1 35 35 ASN CB C 35 39.644 39.644 38.188 1.456 25104 191 1 . 1 1 35 35 ASN H H 35 7.193 7.193 7.904 -0.711 25104 192 1 . 1 1 36 36 PHE N N 36 117.929 117.929 120.313 -2.384 25104 193 1 . 1 1 36 36 PHE HA H 36 4.158 4.158 4.089 0.069 25104 194 1 . 1 1 36 36 PHE C C 36 179.707 179.707 177.432 2.275 25104 195 1 . 1 1 36 36 PHE CA C 36 61.589 61.589 61.000 0.589 25104 196 1 . 1 1 36 36 PHE CB C 36 39.948 39.948 39.015 0.933 25104 197 1 . 1 1 36 36 PHE H H 36 7.065 7.065 7.401 -0.336 25104 198 1 . 1 1 37 37 ARG N N 37 121.048 121.048 120.380 0.669 25104 199 1 . 1 1 37 37 ARG HA H 37 3.685 3.685 3.888 -0.203 25104 200 1 . 1 1 37 37 ARG C C 37 179.000 179.000 178.039 0.961 25104 201 1 . 1 1 37 37 ARG CA C 37 60.515 60.515 59.720 0.795 25104 202 1 . 1 1 37 37 ARG CB C 37 29.880 29.880 30.204 -0.324 25104 203 1 . 1 1 37 37 ARG H H 37 8.975 8.975 8.145 0.830 25104 204 1 . 1 1 38 38 ALA N N 38 119.232 119.232 121.461 -2.229 25104 205 1 . 1 1 38 38 ALA HA H 38 4.126 4.126 4.359 -0.233 25104 206 1 . 1 1 38 38 ALA C C 38 183.365 183.365 179.850 3.515 25104 207 1 . 1 1 38 38 ALA CA C 38 54.477 54.477 54.349 0.128 25104 208 1 . 1 1 38 38 ALA CB C 38 18.405 18.405 18.566 -0.161 25104 209 1 . 1 1 38 38 ALA H H 38 8.741 8.741 7.883 0.858 25104 210 1 . 1 1 39 39 LEU N N 39 120.723 120.723 118.681 2.041 25104 211 1 . 1 1 39 39 LEU HA H 39 3.800 3.800 4.123 -0.322 25104 212 1 . 1 1 39 39 LEU C C 39 180.481 180.481 178.871 1.610 25104 213 1 . 1 1 39 39 LEU CA C 39 57.268 57.268 57.760 -0.492 25104 214 1 . 1 1 39 39 LEU CB C 39 41.218 41.218 41.653 -0.435 25104 215 1 . 1 1 39 39 LEU H H 39 8.212 8.212 7.995 0.217 25104 216 1 . 1 1 40 40 SER N N 40 119.210 119.210 114.535 4.675 25104 217 1 . 1 1 40 40 SER HA H 40 4.341 4.341 4.295 0.046 25104 218 1 . 1 1 40 40 SER C C 40 175.380 175.380 176.514 -1.134 25104 219 1 . 1 1 40 40 SER CA C 40 62.924 62.924 61.446 1.478 25104 220 1 . 1 1 40 40 SER CB C 40 62.992 62.992 63.084 -0.092 25104 221 1 . 1 1 40 40 SER H H 40 7.938 7.938 7.993 -0.055 25104 222 1 . 1 1 41 41 THR N N 41 108.556 108.556 111.743 -3.187 25104 223 1 . 1 1 41 41 THR HA H 41 4.508 4.508 4.246 0.262 25104 224 1 . 1 1 41 41 THR C C 41 179.088 179.088 176.105 2.983 25104 225 1 . 1 1 41 41 THR CA C 41 62.492 62.492 63.548 -1.056 25104 226 1 . 1 1 41 41 THR CB C 41 69.663 69.663 69.368 0.295 25104 227 1 . 1 1 41 41 THR H H 41 8.017 8.017 7.912 0.105 25104 228 1 . 1 1 42 42 GLY N N 42 108.433 108.433 110.351 -1.918 25104 229 1 . 1 1 42 42 GLY C C 42 178.676 178.676 175.891 2.785 25104 230 1 . 1 1 42 42 GLY CA C 42 45.840 45.840 45.543 0.297 25104 231 1 . 1 1 42 42 GLY H H 42 7.621 7.621 7.780 -0.159 25104 232 1 . 1 1 43 43 GLU N N 43 118.777 118.777 120.435 -1.658 25104 233 1 . 1 1 43 43 GLU HA H 43 4.171 4.171 4.098 0.073 25104 234 1 . 1 1 43 43 GLU C C 43 177.458 177.458 177.486 -0.028 25104 235 1 . 1 1 43 43 GLU CA C 43 58.580 58.580 57.940 0.640 25104 236 1 . 1 1 43 43 GLU H H 43 8.049 8.049 8.069 -0.020 25104 237 1 . 1 1 44 44 LYS N N 44 118.526 118.526 116.344 2.182 25104 238 1 . 1 1 44 44 LYS HA H 44 4.342 4.342 4.299 0.043 25104 239 1 . 1 1 44 44 LYS C C 44 177.590 177.590 176.461 1.129 25104 240 1 . 1 1 44 44 LYS CA C 44 54.405 54.405 54.542 -0.137 25104 241 1 . 1 1 44 44 LYS CB C 44 30.488 30.488 32.045 -1.557 25104 242 1 . 1 1 44 44 LYS H H 44 9.123 9.123 7.381 1.742 25104 243 1 . 1 1 45 45 GLY N N 45 105.553 105.553 107.918 -2.365 25104 244 1 . 1 1 45 45 GLY C C 45 173.518 173.518 174.591 -1.073 25104 245 1 . 1 1 45 45 GLY CA C 45 44.612 44.612 45.821 -1.209 25104 246 1 . 1 1 45 45 GLY H H 45 7.970 7.970 7.651 0.319 25104 247 1 . 1 1 46 46 PHE N N 46 113.753 113.753 119.533 -5.780 25104 248 1 . 1 1 46 46 PHE HA H 46 4.678 4.678 4.366 0.312 25104 249 1 . 1 1 46 46 PHE C C 46 173.684 173.684 176.302 -2.618 25104 250 1 . 1 1 46 46 PHE CA C 46 54.077 54.077 57.168 -3.091 25104 251 1 . 1 1 46 46 PHE CB C 46 39.658 39.658 39.433 0.225 25104 252 1 . 1 1 46 46 PHE H H 46 6.469 6.469 7.415 -0.945 25104 253 1 . 1 1 47 47 GLY N N 47 104.722 104.722 107.618 -2.896 25104 254 1 . 1 1 47 47 GLY C C 47 172.446 172.446 174.904 -2.458 25104 255 1 . 1 1 47 47 GLY CA C 47 45.601 45.601 45.536 0.065 25104 256 1 . 1 1 47 47 GLY H H 47 7.756 7.756 8.082 -0.326 25104 257 1 . 1 1 48 48 TYR N N 48 113.796 113.796 120.436 -6.640 25104 258 1 . 1 1 48 48 TYR HA H 48 4.270 4.270 4.188 0.082 25104 259 1 . 1 1 48 48 TYR C C 48 178.924 178.924 175.673 3.251 25104 260 1 . 1 1 48 48 TYR CA C 48 57.365 57.365 58.788 -1.423 25104 261 1 . 1 1 48 48 TYR CB C 48 38.832 38.832 37.279 1.553 25104 262 1 . 1 1 48 48 TYR H H 48 6.948 6.948 8.104 -1.156 25104 263 1 . 1 1 49 49 LYS N N 49 124.858 124.858 125.082 -0.224 25104 264 1 . 1 1 49 49 LYS HA H 49 3.655 3.655 4.428 -0.773 25104 265 1 . 1 1 49 49 LYS C C 49 178.388 178.388 176.838 1.550 25104 266 1 . 1 1 49 49 LYS CA C 49 61.018 61.018 55.113 5.905 25104 267 1 . 1 1 49 49 LYS CB C 49 31.484 31.484 33.583 -2.100 25104 268 1 . 1 1 49 49 LYS H H 49 8.493 8.493 7.908 0.585 25104 269 1 . 1 1 50 50 GLY N N 50 117.833 117.833 115.222 2.611 25104 270 1 . 1 1 50 50 GLY C C 50 175.259 175.259 174.334 0.926 25104 271 1 . 1 1 50 50 GLY CA C 50 45.495 45.495 45.279 0.216 25104 272 1 . 1 1 50 50 GLY H H 50 9.509 9.509 8.433 1.076 25104 273 1 . 1 1 51 51 SER N N 51 116.413 116.413 115.930 0.483 25104 274 1 . 1 1 51 51 SER HA H 51 4.516 4.516 4.412 0.104 25104 275 1 . 1 1 51 51 SER C C 51 172.808 172.808 174.976 -2.168 25104 276 1 . 1 1 51 51 SER CA C 51 59.043 59.043 58.748 0.295 25104 277 1 . 1 1 51 51 SER CB C 51 63.781 63.781 63.447 0.334 25104 278 1 . 1 1 51 51 SER H H 51 8.436 8.436 7.942 0.494 25104 279 1 . 1 1 52 52 CYS N N 52 115.156 115.156 124.937 -9.781 25104 280 1 . 1 1 52 52 CYS HA H 52 5.932 5.932 5.146 0.786 25104 281 1 . 1 1 52 52 CYS C C 52 177.437 177.437 174.495 2.942 25104 282 1 . 1 1 52 52 CYS CA C 52 55.998 55.998 56.898 -0.900 25104 283 1 . 1 1 52 52 CYS CB C 52 31.953 31.953 29.042 2.911 25104 284 1 . 1 1 52 52 CYS H H 52 9.875 9.875 8.442 1.433 25104 285 1 . 1 1 53 53 PHE N N 53 123.068 123.068 124.514 -1.446 25104 286 1 . 1 1 53 53 PHE HA H 53 4.899 4.899 4.544 0.355 25104 287 1 . 1 1 53 53 PHE C C 53 175.886 175.886 175.861 0.025 25104 288 1 . 1 1 53 53 PHE CA C 53 58.389 58.389 58.365 0.024 25104 289 1 . 1 1 53 53 PHE CB C 53 39.535 39.535 38.300 1.236 25104 290 1 . 1 1 53 53 PHE H H 53 8.732 8.732 9.043 -0.311 25104 291 1 . 1 1 54 54 HIS N N 54 120.227 120.227 118.988 1.239 25104 292 1 . 1 1 54 54 HIS HA H 54 4.763 4.763 4.839 -0.076 25104 293 1 . 1 1 54 54 HIS C C 54 176.409 176.409 174.627 1.782 25104 294 1 . 1 1 54 54 HIS CA C 54 57.323 57.323 55.650 1.673 25104 295 1 . 1 1 54 54 HIS CB C 54 31.542 31.542 31.450 0.092 25104 296 1 . 1 1 54 54 HIS H H 54 7.696 7.696 8.002 -0.306 25104 297 1 . 1 1 55 55 ARG N N 55 123.202 123.202 121.164 2.038 25104 298 1 . 1 1 55 55 ARG HA H 55 5.118 5.118 5.242 -0.124 25104 299 1 . 1 1 55 55 ARG C C 55 174.511 174.511 173.691 0.820 25104 300 1 . 1 1 55 55 ARG CA C 55 54.913 54.913 55.073 -0.160 25104 301 1 . 1 1 55 55 ARG CB C 55 33.805 33.805 31.741 2.064 25104 302 1 . 1 1 55 55 ARG H H 55 7.089 7.089 7.210 -0.121 25104 303 1 . 1 1 56 56 ILE N N 56 126.621 126.621 126.328 0.293 25104 304 1 . 1 1 56 56 ILE HA H 56 4.659 4.659 4.756 -0.097 25104 305 1 . 1 1 56 56 ILE C C 56 174.633 174.633 174.037 0.596 25104 306 1 . 1 1 56 56 ILE CA C 56 61.585 61.585 60.442 1.143 25104 307 1 . 1 1 56 56 ILE CB C 56 41.452 41.452 42.085 -0.633 25104 308 1 . 1 1 56 56 ILE H H 56 9.201 9.201 8.494 0.707 25104 309 1 . 1 1 57 57 ILE N N 57 127.965 127.965 125.366 2.599 25104 310 1 . 1 1 57 57 ILE HA H 57 5.248 5.248 5.155 0.093 25104 311 1 . 1 1 57 57 ILE CA C 57 57.685 57.685 57.625 0.060 25104 312 1 . 1 1 57 57 ILE CB C 57 40.236 40.236 41.308 -1.072 25104 313 1 . 1 1 57 57 ILE H H 57 8.753 8.753 8.938 -0.185 25104 314 1 . 1 1 58 58 PRO HA H 58 4.382 4.382 4.418 -0.036 25104 315 1 . 1 1 58 58 PRO C C 58 178.669 178.669 177.734 0.935 25104 316 1 . 1 1 58 58 PRO CA C 58 63.086 63.086 63.473 -0.387 25104 317 1 . 1 1 58 58 PRO CB C 58 31.996 31.996 31.846 0.150 25104 318 1 . 1 1 59 59 GLY N N 59 114.176 114.176 111.306 2.870 25104 319 1 . 1 1 59 59 GLY C C 59 173.281 173.281 173.623 -0.342 25104 320 1 . 1 1 59 59 GLY CA C 59 45.259 45.259 46.024 -0.765 25104 321 1 . 1 1 59 59 GLY H H 59 9.752 9.752 8.685 1.067 25104 322 1 . 1 1 60 60 PHE N N 60 119.241 119.241 118.410 0.831 25104 323 1 . 1 1 60 60 PHE HA H 60 5.153 5.153 4.983 0.170 25104 324 1 . 1 1 60 60 PHE C C 60 174.401 174.401 173.166 1.235 25104 325 1 . 1 1 60 60 PHE CA C 60 56.867 56.867 57.949 -1.082 25104 326 1 . 1 1 60 60 PHE CB C 60 39.954 39.954 41.574 -1.620 25104 327 1 . 1 1 60 60 PHE H H 60 8.196 8.196 7.953 0.243 25104 328 1 . 1 1 61 61 MET N N 61 111.262 111.262 116.781 -5.519 25104 329 1 . 1 1 61 61 MET HA H 61 5.369 5.369 4.984 0.385 25104 330 1 . 1 1 61 61 MET C C 61 175.163 175.163 173.175 1.988 25104 331 1 . 1 1 61 61 MET CA C 61 55.062 55.062 55.025 0.037 25104 332 1 . 1 1 61 61 MET CB C 61 35.010 35.010 36.245 -1.235 25104 333 1 . 1 1 61 61 MET H H 61 8.128 8.128 8.305 -0.177 25104 334 1 . 1 1 62 62 CYS N N 62 114.848 114.848 122.078 -7.230 25104 335 1 . 1 1 62 62 CYS HA H 62 4.941 4.941 4.972 -0.031 25104 336 1 . 1 1 62 62 CYS C C 62 174.075 174.075 173.408 0.667 25104 337 1 . 1 1 62 62 CYS CA C 62 57.485 57.485 56.768 0.717 25104 338 1 . 1 1 62 62 CYS CB C 62 30.392 30.392 29.020 1.372 25104 339 1 . 1 1 62 62 CYS H H 62 8.501 8.501 8.838 -0.337 25104 340 1 . 1 1 63 63 GLN N N 63 126.854 126.854 126.657 0.197 25104 341 1 . 1 1 63 63 GLN HA H 63 5.410 5.410 5.034 0.376 25104 342 1 . 1 1 63 63 GLN C C 63 175.024 175.024 174.497 0.527 25104 343 1 . 1 1 63 63 GLN CA C 63 54.691 54.691 54.230 0.461 25104 344 1 . 1 1 63 63 GLN CB C 63 30.529 30.529 31.984 -1.455 25104 345 1 . 1 1 63 63 GLN H H 63 9.671 9.671 8.782 0.889 25104 346 1 . 1 1 64 64 GLY N N 64 110.745 110.745 110.621 0.124 25104 347 1 . 1 1 64 64 GLY C C 64 174.113 174.113 172.072 2.041 25104 348 1 . 1 1 64 64 GLY CA C 64 44.788 44.788 43.013 1.775 25104 349 1 . 1 1 64 64 GLY H H 64 7.401 7.401 8.086 -0.685 25104 350 1 . 1 1 65 65 GLY N N 65 105.815 105.815 106.022 -0.207 25104 351 1 . 1 1 65 65 GLY C C 65 176.175 176.175 172.829 3.346 25104 352 1 . 1 1 65 65 GLY CA C 65 46.659 46.659 45.322 1.337 25104 353 1 . 1 1 65 65 GLY H H 65 9.265 9.265 7.495 1.770 25104 354 1 . 1 1 66 66 ASP N N 66 123.911 123.911 121.273 2.638 25104 355 1 . 1 1 66 66 ASP HA H 66 4.337 4.337 4.779 -0.442 25104 356 1 . 1 1 66 66 ASP C C 66 177.105 177.105 176.319 0.786 25104 357 1 . 1 1 66 66 ASP CA C 66 51.592 51.592 53.425 -1.833 25104 358 1 . 1 1 66 66 ASP CB C 66 38.926 38.926 42.463 -3.537 25104 359 1 . 1 1 66 66 ASP H H 66 9.950 9.950 8.051 1.899 25104 360 1 . 1 1 67 67 PHE N N 67 116.285 116.285 120.886 -4.601 25104 361 1 . 1 1 67 67 PHE HA H 67 4.655 4.655 4.423 0.232 25104 362 1 . 1 1 67 67 PHE C C 67 175.240 175.240 175.722 -0.482 25104 363 1 . 1 1 67 67 PHE CA C 67 55.683 55.683 60.071 -4.388 25104 364 1 . 1 1 67 67 PHE CB C 67 39.480 39.480 40.151 -0.671 25104 365 1 . 1 1 67 67 PHE H H 67 6.660 6.660 8.304 -1.644 25104 366 1 . 1 1 68 68 THR N N 68 109.280 109.280 117.330 -8.050 25104 367 1 . 1 1 68 68 THR HA H 68 4.692 4.692 4.175 0.517 25104 368 1 . 1 1 68 68 THR C C 68 176.514 176.514 174.125 2.388 25104 369 1 . 1 1 68 68 THR CA C 68 61.962 61.962 63.518 -1.556 25104 370 1 . 1 1 68 68 THR CB C 68 68.922 68.922 68.723 0.199 25104 371 1 . 1 1 68 68 THR H H 68 7.400 7.400 8.067 -0.667 25104 372 1 . 1 1 69 69 ARG N N 69 122.125 122.125 123.138 -1.013 25104 373 1 . 1 1 69 69 ARG HA H 69 4.421 4.421 3.796 0.625 25104 374 1 . 1 1 69 69 ARG CA C 69 55.265 55.265 57.048 -1.783 25104 375 1 . 1 1 69 69 ARG CB C 69 31.727 31.727 28.184 3.543 25104 376 1 . 1 1 69 69 ARG H H 69 8.719 8.719 8.904 -0.185 25104 377 1 . 1 1 70 70 HIS N N 70 111.574 111.574 118.448 -6.874 25104 378 1 . 1 1 70 70 HIS HA H 70 4.451 4.451 4.368 0.083 25104 379 1 . 1 1 70 70 HIS C C 70 175.306 175.306 175.104 0.202 25104 380 1 . 1 1 70 70 HIS CA C 70 57.193 57.193 56.972 0.221 25104 381 1 . 1 1 70 70 HIS CB C 70 28.587 28.587 29.153 -0.566 25104 382 1 . 1 1 70 70 HIS H H 70 6.865 6.865 8.081 -1.216 25104 383 1 . 1 1 71 71 ASN N N 71 112.710 112.710 119.051 -6.341 25104 384 1 . 1 1 71 71 ASN HA H 71 4.673 4.673 4.468 0.205 25104 385 1 . 1 1 71 71 ASN C C 71 176.752 176.752 175.571 1.181 25104 386 1 . 1 1 71 71 ASN CA C 71 52.366 52.366 53.243 -0.877 25104 387 1 . 1 1 71 71 ASN CB C 71 39.036 39.036 37.462 1.574 25104 388 1 . 1 1 71 71 ASN H H 71 7.594 7.594 7.870 -0.276 25104 389 1 . 1 1 72 72 GLY N N 72 110.452 110.452 111.969 -1.517 25104 390 1 . 1 1 72 72 GLY C C 72 176.669 176.669 174.352 2.317 25104 391 1 . 1 1 72 72 GLY CA C 72 44.887 44.887 45.991 -1.104 25104 392 1 . 1 1 72 72 GLY H H 72 9.642 9.642 8.350 1.292 25104 393 1 . 1 1 73 73 THR N N 73 112.024 112.024 115.438 -3.414 25104 394 1 . 1 1 73 73 THR HA H 73 4.541 4.541 4.374 0.167 25104 395 1 . 1 1 73 73 THR C C 73 176.905 176.905 174.093 2.812 25104 396 1 . 1 1 73 73 THR CA C 73 62.235 62.235 62.656 -0.421 25104 397 1 . 1 1 73 73 THR CB C 73 70.677 70.677 70.823 -0.146 25104 398 1 . 1 1 73 73 THR H H 73 7.967 7.967 7.485 0.482 25104 399 1 . 1 1 74 74 GLY N N 74 113.872 113.872 110.772 3.100 25104 400 1 . 1 1 74 74 GLY C C 74 176.149 176.149 174.290 1.859 25104 401 1 . 1 1 74 74 GLY CA C 74 45.126 45.126 45.830 -0.704 25104 402 1 . 1 1 74 74 GLY H H 74 8.711 8.711 8.163 0.548 25104 403 1 . 1 1 75 75 GLY N N 75 109.032 109.032 106.105 2.927 25104 404 1 . 1 1 75 75 GLY C C 75 173.012 173.012 173.931 -0.919 25104 405 1 . 1 1 75 75 GLY CA C 75 43.371 43.371 44.482 -1.111 25104 406 1 . 1 1 75 75 GLY H H 75 8.117 8.117 7.782 0.335 25104 407 1 . 1 1 76 76 LYS N N 76 115.705 115.705 120.101 -4.396 25104 408 1 . 1 1 76 76 LYS HA H 76 4.623 4.623 4.693 -0.070 25104 409 1 . 1 1 76 76 LYS C C 76 173.512 173.512 176.476 -2.964 25104 410 1 . 1 1 76 76 LYS CA C 76 55.975 55.975 56.261 -0.287 25104 411 1 . 1 1 76 76 LYS CB C 76 34.648 34.648 33.063 1.585 25104 412 1 . 1 1 76 76 LYS H H 76 7.034 7.034 7.745 -0.711 25104 413 1 . 1 1 77 77 SER N N 77 114.354 114.354 115.130 -0.776 25104 414 1 . 1 1 77 77 SER HA H 77 5.240 5.240 4.737 0.503 25104 415 1 . 1 1 77 77 SER C C 77 176.746 176.746 176.063 0.683 25104 416 1 . 1 1 77 77 SER CA C 77 57.077 57.077 57.235 -0.158 25104 417 1 . 1 1 77 77 SER CB C 77 69.863 69.863 65.847 4.016 25104 418 1 . 1 1 77 77 SER H H 77 7.793 7.793 8.144 -0.351 25104 419 1 . 1 1 78 78 ILE N N 78 111.394 111.394 115.390 -3.996 25104 420 1 . 1 1 78 78 ILE HA H 78 4.208 4.208 4.280 -0.072 25104 421 1 . 1 1 78 78 ILE C C 78 176.973 176.973 175.640 1.333 25104 422 1 . 1 1 78 78 ILE CA C 78 63.675 63.675 63.132 0.543 25104 423 1 . 1 1 78 78 ILE CB C 78 37.434 37.434 37.934 -0.500 25104 424 1 . 1 1 78 78 ILE H H 78 8.584 8.584 8.615 -0.031 25104 425 1 . 1 1 79 79 TYR N N 79 120.757 120.757 118.734 2.023 25104 426 1 . 1 1 79 79 TYR HA H 79 4.718 4.718 4.497 0.221 25104 427 1 . 1 1 79 79 TYR C C 79 176.316 176.316 176.063 0.253 25104 428 1 . 1 1 79 79 TYR CA C 79 56.216 56.216 58.141 -1.925 25104 429 1 . 1 1 79 79 TYR CB C 79 38.891 38.891 38.049 0.843 25104 430 1 . 1 1 79 79 TYR H H 79 8.058 8.058 7.720 0.338 25104 431 1 . 1 1 80 80 GLY N N 80 106.521 106.521 107.303 -0.782 25104 432 1 . 1 1 80 80 GLY CA C 80 46.021 46.021 45.285 0.736 25104 433 1 . 1 1 80 80 GLY H H 80 7.152 7.152 7.432 -0.280 25104 434 1 . 1 1 81 81 GLU N N 81 122.638 122.638 123.686 -1.048 25104 435 1 . 1 1 81 81 GLU HA H 81 4.008 4.008 4.093 -0.085 25104 436 1 . 1 1 81 81 GLU C C 81 176.729 176.729 175.849 0.880 25104 437 1 . 1 1 81 81 GLU CA C 81 60.602 60.602 58.865 1.737 25104 438 1 . 1 1 81 81 GLU CB C 81 29.927 29.927 30.038 -0.111 25104 439 1 . 1 1 81 81 GLU H H 81 8.884 8.884 8.651 0.233 25104 440 1 . 1 1 82 82 LYS N N 82 112.369 112.369 113.273 -0.905 25104 441 1 . 1 1 82 82 LYS HA H 82 5.577 5.577 4.639 0.938 25104 442 1 . 1 1 82 82 LYS C C 82 176.495 176.495 174.921 1.574 25104 443 1 . 1 1 82 82 LYS CA C 82 53.906 53.906 55.481 -1.575 25104 444 1 . 1 1 82 82 LYS CB C 82 36.614 36.614 35.438 1.176 25104 445 1 . 1 1 82 82 LYS H H 82 7.845 7.845 7.601 0.244 25104 446 1 . 1 1 83 83 PHE N N 83 116.638 116.638 114.957 1.681 25104 447 1 . 1 1 83 83 PHE HA H 83 5.000 5.000 5.006 -0.006 25104 448 1 . 1 1 83 83 PHE C C 83 174.501 174.501 173.144 1.357 25104 449 1 . 1 1 83 83 PHE CA C 83 56.032 56.032 56.190 -0.158 25104 450 1 . 1 1 83 83 PHE CB C 83 41.258 41.258 41.438 -0.180 25104 451 1 . 1 1 83 83 PHE H H 83 9.184 9.184 8.879 0.305 25104 452 1 . 1 1 84 84 GLU N N 84 119.642 119.642 118.326 1.316 25104 453 1 . 1 1 84 84 GLU HA H 84 3.862 3.862 4.297 -0.435 25104 454 1 . 1 1 84 84 GLU C C 84 177.248 177.248 175.241 2.007 25104 455 1 . 1 1 84 84 GLU CA C 84 56.452 56.452 54.656 1.797 25104 456 1 . 1 1 84 84 GLU CB C 84 29.329 29.329 31.055 -1.726 25104 457 1 . 1 1 84 84 GLU H H 84 9.294 9.294 8.379 0.915 25104 458 1 . 1 1 85 85 ASP N N 85 118.870 118.870 120.673 -1.803 25104 459 1 . 1 1 85 85 ASP HA H 85 4.285 4.285 4.520 -0.235 25104 460 1 . 1 1 85 85 ASP C C 85 177.100 177.100 176.424 0.676 25104 461 1 . 1 1 85 85 ASP CA C 85 54.486 54.486 54.709 -0.223 25104 462 1 . 1 1 85 85 ASP CB C 85 40.954 40.954 41.224 -0.270 25104 463 1 . 1 1 85 85 ASP H H 85 8.609 8.609 8.374 0.235 25104 464 1 . 1 1 86 86 GLU N N 86 131.636 131.636 124.902 6.734 25104 465 1 . 1 1 86 86 GLU HA H 86 3.851 3.851 4.095 -0.244 25104 466 1 . 1 1 86 86 GLU C C 86 177.266 177.266 175.590 1.676 25104 467 1 . 1 1 86 86 GLU CA C 86 60.354 60.354 58.518 1.836 25104 468 1 . 1 1 86 86 GLU CB C 86 31.877 31.877 30.555 1.322 25104 469 1 . 1 1 86 86 GLU H H 86 9.474 9.474 8.867 0.607 25104 470 1 . 1 1 87 87 ASN N N 87 106.916 106.916 112.880 -5.964 25104 471 1 . 1 1 87 87 ASN HA H 87 4.187 4.187 4.556 -0.369 25104 472 1 . 1 1 87 87 ASN C C 87 171.751 171.751 173.567 -1.816 25104 473 1 . 1 1 87 87 ASN CA C 87 52.828 52.828 52.229 0.599 25104 474 1 . 1 1 87 87 ASN CB C 87 39.490 39.490 39.009 0.481 25104 475 1 . 1 1 87 87 ASN H H 87 7.084 7.084 7.671 -0.587 25104 476 1 . 1 1 88 88 PHE N N 88 113.116 113.116 118.016 -4.900 25104 477 1 . 1 1 88 88 PHE HA H 88 5.964 5.964 4.830 1.134 25104 478 1 . 1 1 88 88 PHE C C 88 178.688 178.688 175.463 3.225 25104 479 1 . 1 1 88 88 PHE CA C 88 55.847 55.847 57.143 -1.296 25104 480 1 . 1 1 88 88 PHE CB C 88 38.876 38.876 38.184 0.692 25104 481 1 . 1 1 88 88 PHE H H 88 8.356 8.356 8.604 -0.248 25104 482 1 . 1 1 89 89 ILE N N 89 119.794 119.794 120.020 -0.227 25104 483 1 . 1 1 89 89 ILE HA H 89 3.726 3.726 3.945 -0.219 25104 484 1 . 1 1 89 89 ILE C C 89 178.596 178.596 176.162 2.434 25104 485 1 . 1 1 89 89 ILE CA C 89 64.996 64.996 63.671 1.325 25104 486 1 . 1 1 89 89 ILE CB C 89 39.000 39.000 38.403 0.597 25104 487 1 . 1 1 89 89 ILE H H 89 8.314 8.314 7.662 0.652 25104 488 1 . 1 1 90 90 LEU N N 90 117.361 117.361 119.863 -2.502 25104 489 1 . 1 1 90 90 LEU HA H 90 4.516 4.516 4.304 0.212 25104 490 1 . 1 1 90 90 LEU C C 90 177.345 177.345 175.730 1.615 25104 491 1 . 1 1 90 90 LEU CA C 90 54.196 54.196 54.164 0.032 25104 492 1 . 1 1 90 90 LEU CB C 90 42.100 42.100 41.757 0.342 25104 493 1 . 1 1 90 90 LEU H H 90 7.777 7.777 8.055 -0.278 25104 494 1 . 1 1 91 91 LYS N N 91 119.096 119.096 121.627 -2.531 25104 495 1 . 1 1 91 91 LYS HA H 91 4.635 4.635 4.554 0.081 25104 496 1 . 1 1 91 91 LYS C C 91 177.296 177.296 176.215 1.081 25104 497 1 . 1 1 91 91 LYS CA C 91 54.689 54.689 55.127 -0.438 25104 498 1 . 1 1 91 91 LYS CB C 91 34.841 34.841 34.849 -0.008 25104 499 1 . 1 1 91 91 LYS H H 91 8.086 8.086 8.312 -0.226 25104 500 1 . 1 1 92 92 HIS N N 92 122.578 122.578 120.360 2.218 25104 501 1 . 1 1 92 92 HIS HA H 92 4.408 4.408 4.662 -0.255 25104 502 1 . 1 1 92 92 HIS C C 92 178.794 178.794 174.816 3.978 25104 503 1 . 1 1 92 92 HIS CA C 92 56.886 56.886 55.942 0.944 25104 504 1 . 1 1 92 92 HIS CB C 92 26.041 26.041 28.110 -2.068 25104 505 1 . 1 1 92 92 HIS H H 92 10.736 10.736 8.966 1.770 25104 506 1 . 1 1 93 93 THR N N 93 110.479 110.479 113.981 -3.502 25104 507 1 . 1 1 93 93 THR HA H 93 4.056 4.056 4.323 -0.267 25104 508 1 . 1 1 93 93 THR C C 93 176.456 176.456 173.970 2.486 25104 509 1 . 1 1 93 93 THR CA C 93 63.324 63.324 62.279 1.044 25104 510 1 . 1 1 93 93 THR CB C 93 69.416 69.416 69.010 0.406 25104 511 1 . 1 1 93 93 THR H H 93 7.315 7.315 7.570 -0.255 25104 512 1 . 1 1 94 94 GLY N N 94 107.272 107.272 108.951 -1.679 25104 513 1 . 1 1 94 94 GLY C C 94 178.117 178.117 171.836 6.281 25104 514 1 . 1 1 94 94 GLY H H 94 7.530 7.530 7.537 -0.007 25104 515 1 . 1 1 95 95 PRO HA H 95 3.856 3.856 4.437 -0.581 25104 516 1 . 1 1 95 95 PRO CA C 95 62.687 62.687 62.473 0.214 25104 517 1 . 1 1 95 95 PRO CB C 95 32.137 32.137 32.737 -0.600 25104 518 1 . 1 1 96 96 GLY N N 96 110.210 110.210 110.041 0.169 25104 519 1 . 1 1 96 96 GLY C C 96 174.025 174.025 174.829 -0.804 25104 520 1 . 1 1 96 96 GLY CA C 96 45.068 45.068 45.347 -0.279 25104 521 1 . 1 1 96 96 GLY H H 96 9.305 9.305 8.498 0.807 25104 522 1 . 1 1 97 97 ILE N N 97 121.517 121.517 121.996 -0.479 25104 523 1 . 1 1 97 97 ILE HA H 97 4.173 4.173 3.985 0.188 25104 524 1 . 1 1 97 97 ILE C C 97 174.196 174.196 174.737 -0.541 25104 525 1 . 1 1 97 97 ILE CA C 97 59.398 59.398 60.566 -1.168 25104 526 1 . 1 1 97 97 ILE CB C 97 37.922 37.922 35.903 2.019 25104 527 1 . 1 1 97 97 ILE H H 97 6.826 6.826 7.751 -0.925 25104 528 1 . 1 1 98 98 LEU N N 98 128.948 128.948 131.124 -2.176 25104 529 1 . 1 1 98 98 LEU HA H 98 5.010 5.010 4.795 0.215 25104 530 1 . 1 1 98 98 LEU C C 98 175.316 175.316 174.675 0.641 25104 531 1 . 1 1 98 98 LEU CA C 98 53.350 53.350 53.492 -0.142 25104 532 1 . 1 1 98 98 LEU CB C 98 43.813 43.813 43.075 0.738 25104 533 1 . 1 1 98 98 LEU H H 98 7.907 7.907 8.100 -0.193 25104 534 1 . 1 1 99 99 SER N N 99 118.834 118.834 120.017 -1.183 25104 535 1 . 1 1 99 99 SER HA H 99 5.346 5.346 4.568 0.778 25104 536 1 . 1 1 99 99 SER C C 99 175.732 175.732 172.711 3.021 25104 537 1 . 1 1 99 99 SER CA C 99 55.011 55.011 56.439 -1.427 25104 538 1 . 1 1 99 99 SER CB C 99 65.370 65.370 65.538 -0.167 25104 539 1 . 1 1 99 99 SER H H 99 8.307 8.307 8.338 -0.031 25104 540 1 . 1 1 100 100 MET N N 100 123.079 123.079 123.406 -0.327 25104 541 1 . 1 1 100 100 MET HA H 100 5.338 5.338 4.663 0.675 25104 542 1 . 1 1 100 100 MET C C 100 178.920 178.920 175.606 3.314 25104 543 1 . 1 1 100 100 MET CA C 100 53.853 53.853 55.816 -1.963 25104 544 1 . 1 1 100 100 MET H H 100 8.563 8.563 8.869 -0.306 25104 545 1 . 1 1 101 101 ALA N N 101 126.225 126.225 125.306 0.919 25104 546 1 . 1 1 101 101 ALA HA H 101 4.362 4.362 4.739 -0.377 25104 547 1 . 1 1 101 101 ALA C C 101 176.471 176.471 175.956 0.515 25104 548 1 . 1 1 101 101 ALA CA C 101 51.743 51.743 52.443 -0.700 25104 549 1 . 1 1 101 101 ALA CB C 101 19.619 19.619 20.406 -0.787 25104 550 1 . 1 1 101 101 ALA H H 101 8.114 8.114 8.293 -0.179 25104 551 1 . 1 1 102 102 ASN N N 102 113.398 113.398 116.352 -2.954 25104 552 1 . 1 1 102 102 ASN HA H 102 4.647 4.647 4.850 -0.203 25104 553 1 . 1 1 102 102 ASN C C 102 174.740 174.740 173.917 0.823 25104 554 1 . 1 1 102 102 ASN CA C 102 54.102 54.102 52.569 1.533 25104 555 1 . 1 1 102 102 ASN CB C 102 40.597 40.597 40.077 0.520 25104 556 1 . 1 1 102 102 ASN H H 102 8.062 8.062 8.143 -0.081 25104 557 1 . 1 1 103 103 ALA N N 103 123.487 123.487 121.530 1.957 25104 558 1 . 1 1 103 103 ALA HA H 103 4.868 4.868 4.521 0.347 25104 559 1 . 1 1 103 103 ALA C C 103 177.823 177.823 176.464 1.359 25104 560 1 . 1 1 103 103 ALA CA C 103 50.380 50.380 52.473 -2.093 25104 561 1 . 1 1 103 103 ALA CB C 103 19.295 19.295 19.614 -0.319 25104 562 1 . 1 1 103 103 ALA H H 103 8.822 8.822 8.603 0.219 25104 563 1 . 1 1 104 104 GLY N N 104 109.271 109.271 106.608 2.663 25104 564 1 . 1 1 104 104 GLY CA C 104 43.559 43.559 44.853 -1.294 25104 565 1 . 1 1 104 104 GLY H H 104 8.181 8.181 7.698 0.483 25104 566 1 . 1 1 105 105 PRO HA H 105 4.385 4.385 4.568 -0.183 25104 567 1 . 1 1 105 105 PRO C C 105 177.209 177.209 177.078 0.131 25104 568 1 . 1 1 105 105 PRO CA C 105 63.976 63.976 63.077 0.899 25104 569 1 . 1 1 105 105 PRO CB C 105 32.136 32.136 32.052 0.084 25104 570 1 . 1 1 106 106 ASN N N 106 119.146 119.146 118.079 1.067 25104 571 1 . 1 1 106 106 ASN HA H 106 4.052 4.052 4.497 -0.445 25104 572 1 . 1 1 106 106 ASN C C 106 175.857 175.857 174.823 1.034 25104 573 1 . 1 1 106 106 ASN CA C 106 54.279 54.279 54.827 -0.548 25104 574 1 . 1 1 106 106 ASN CB C 106 37.248 37.248 38.023 -0.775 25104 575 1 . 1 1 106 106 ASN H H 106 8.912 8.912 9.002 -0.090 25104 576 1 . 1 1 107 107 THR N N 107 110.101 110.101 111.302 -1.201 25104 577 1 . 1 1 107 107 THR HA H 107 4.493 4.493 4.334 0.159 25104 578 1 . 1 1 107 107 THR C C 107 174.713 174.713 173.627 1.086 25104 579 1 . 1 1 107 107 THR CA C 107 60.294 60.294 62.432 -2.138 25104 580 1 . 1 1 107 107 THR CB C 107 69.030 69.030 69.511 -0.481 25104 581 1 . 1 1 107 107 THR H H 107 10.191 10.191 7.605 2.586 25104 582 1 . 1 1 108 108 ASN N N 108 120.592 120.592 120.022 0.570 25104 583 1 . 1 1 108 108 ASN HA H 108 4.210 4.210 4.462 -0.252 25104 584 1 . 1 1 108 108 ASN C C 108 175.078 175.078 175.362 -0.284 25104 585 1 . 1 1 108 108 ASN CA C 108 55.287 55.287 53.229 2.058 25104 586 1 . 1 1 108 108 ASN CB C 108 39.036 39.036 38.955 0.081 25104 587 1 . 1 1 108 108 ASN H H 108 7.410 7.410 7.381 0.029 25104 588 1 . 1 1 109 109 GLY N N 109 110.835 110.835 110.645 0.190 25104 589 1 . 1 1 109 109 GLY C C 109 172.087 172.087 173.328 -1.241 25104 590 1 . 1 1 109 109 GLY CA C 109 45.940 45.940 45.278 0.662 25104 591 1 . 1 1 109 109 GLY H H 109 9.192 9.192 8.224 0.968 25104 592 1 . 1 1 110 110 SER N N 110 117.149 117.149 116.706 0.443 25104 593 1 . 1 1 110 110 SER HA H 110 4.751 4.751 4.973 -0.222 25104 594 1 . 1 1 110 110 SER C C 110 177.075 177.075 174.203 2.872 25104 595 1 . 1 1 110 110 SER CA C 110 57.526 57.526 56.811 0.715 25104 596 1 . 1 1 110 110 SER CB C 110 66.180 66.180 65.100 1.080 25104 597 1 . 1 1 110 110 SER H H 110 8.793 8.793 7.476 1.317 25104 598 1 . 1 1 111 111 GLN N N 111 124.594 124.594 120.441 4.153 25104 599 1 . 1 1 111 111 GLN HA H 111 4.225 4.225 4.006 0.219 25104 600 1 . 1 1 111 111 GLN C C 111 179.174 179.174 175.048 4.126 25104 601 1 . 1 1 111 111 GLN CA C 111 58.144 58.144 57.580 0.564 25104 602 1 . 1 1 111 111 GLN CB C 111 31.558 31.558 28.581 2.977 25104 603 1 . 1 1 111 111 GLN H H 111 8.438 8.438 8.382 0.056 25104 604 1 . 1 1 112 112 PHE N N 112 118.008 118.008 114.070 3.938 25104 605 1 . 1 1 112 112 PHE HA H 112 5.806 5.806 5.180 0.626 25104 606 1 . 1 1 112 112 PHE C C 112 172.840 172.840 173.383 -0.543 25104 607 1 . 1 1 112 112 PHE CA C 112 55.584 55.584 55.995 -0.411 25104 608 1 . 1 1 112 112 PHE CB C 112 43.323 43.323 42.406 0.917 25104 609 1 . 1 1 112 112 PHE H H 112 8.120 8.120 8.131 -0.011 25104 610 1 . 1 1 113 113 PHE N N 113 116.406 116.406 115.593 0.813 25104 611 1 . 1 1 113 113 PHE HA H 113 5.739 5.739 5.323 0.416 25104 612 1 . 1 1 113 113 PHE C C 113 175.349 175.349 173.415 1.934 25104 613 1 . 1 1 113 113 PHE CA C 113 54.684 54.684 55.595 -0.911 25104 614 1 . 1 1 113 113 PHE CB C 113 42.825 42.825 42.372 0.453 25104 615 1 . 1 1 113 113 PHE H H 113 9.832 9.832 8.783 1.049 25104 616 1 . 1 1 114 114 ILE N N 114 118.683 118.683 120.829 -2.146 25104 617 1 . 1 1 114 114 ILE HA H 114 4.842 4.842 4.899 -0.057 25104 618 1 . 1 1 114 114 ILE C C 114 178.414 178.414 175.928 2.486 25104 619 1 . 1 1 114 114 ILE CA C 114 60.265 60.265 59.794 0.471 25104 620 1 . 1 1 114 114 ILE CB C 114 40.466 40.466 39.704 0.761 25104 621 1 . 1 1 114 114 ILE H H 114 9.156 9.156 8.742 0.414 25104 622 1 . 1 1 115 115 CYS N N 115 125.524 125.524 128.220 -2.696 25104 623 1 . 1 1 115 115 CYS HA H 115 4.808 4.808 4.674 0.134 25104 624 1 . 1 1 115 115 CYS C C 115 177.658 177.658 176.379 1.279 25104 625 1 . 1 1 115 115 CYS CA C 115 60.803 60.803 58.208 2.595 25104 626 1 . 1 1 115 115 CYS CB C 115 28.723 28.723 26.293 2.430 25104 627 1 . 1 1 115 115 CYS H H 115 9.616 9.616 8.914 0.702 25104 628 1 . 1 1 116 116 THR N N 116 115.801 115.801 117.864 -2.063 25104 629 1 . 1 1 116 116 THR HA H 116 4.380 4.380 4.179 0.201 25104 630 1 . 1 1 116 116 THR C C 116 178.496 178.496 174.618 3.878 25104 631 1 . 1 1 116 116 THR CA C 116 60.844 60.844 63.809 -2.965 25104 632 1 . 1 1 116 116 THR CB C 116 66.730 66.730 69.039 -2.309 25104 633 1 . 1 1 116 116 THR H H 116 8.990 8.990 8.410 0.580 25104 634 1 . 1 1 117 117 ALA N N 117 122.356 122.356 124.258 -1.902 25104 635 1 . 1 1 117 117 ALA HA H 117 4.420 4.420 4.623 -0.203 25104 636 1 . 1 1 117 117 ALA C C 117 176.114 176.114 175.685 0.429 25104 637 1 . 1 1 117 117 ALA CA C 117 50.668 50.668 50.497 0.171 25104 638 1 . 1 1 117 117 ALA CB C 117 22.795 22.795 21.029 1.766 25104 639 1 . 1 1 117 117 ALA H H 117 7.641 7.641 7.466 0.175 25104 640 1 . 1 1 118 118 LYS N N 118 119.855 119.855 119.372 0.483 25104 641 1 . 1 1 118 118 LYS HA H 118 3.840 3.840 4.367 -0.527 25104 642 1 . 1 1 118 118 LYS C C 118 177.211 177.211 176.394 0.817 25104 643 1 . 1 1 118 118 LYS CA C 118 57.913 57.913 56.213 1.700 25104 644 1 . 1 1 118 118 LYS CB C 118 32.708 32.708 30.783 1.925 25104 645 1 . 1 1 118 118 LYS H H 118 8.693 8.693 8.458 0.234 25104 646 1 . 1 1 119 119 THR N N 119 119.004 119.004 115.995 3.009 25104 647 1 . 1 1 119 119 THR HA H 119 3.730 3.730 3.529 0.201 25104 648 1 . 1 1 119 119 THR C C 119 177.928 177.928 174.772 3.156 25104 649 1 . 1 1 119 119 THR CA C 119 57.301 57.301 60.270 -2.969 25104 650 1 . 1 1 119 119 THR CB C 119 68.717 68.717 68.027 0.690 25104 651 1 . 1 1 119 119 THR H H 119 7.373 7.373 8.142 -0.769 25104 652 1 . 1 1 120 120 GLU N N 120 124.713 124.713 124.321 0.392 25104 653 1 . 1 1 120 120 GLU HA H 120 4.162 4.162 4.218 -0.056 25104 654 1 . 1 1 120 120 GLU C C 120 178.190 178.190 177.611 0.579 25104 655 1 . 1 1 120 120 GLU CA C 120 59.334 59.334 58.310 1.024 25104 656 1 . 1 1 120 120 GLU CB C 120 29.322 29.322 29.302 0.020 25104 657 1 . 1 1 120 120 GLU H H 120 9.139 9.139 7.897 1.242 25104 658 1 . 1 1 121 121 TRP N N 121 117.782 117.782 116.851 0.931 25104 659 1 . 1 1 121 121 TRP HA H 121 4.716 4.716 4.573 0.143 25104 660 1 . 1 1 121 121 TRP C C 121 177.244 177.244 176.221 1.023 25104 661 1 . 1 1 121 121 TRP CA C 121 59.748 59.748 57.175 2.573 25104 662 1 . 1 1 121 121 TRP CB C 121 26.947 26.947 28.603 -1.656 25104 663 1 . 1 1 121 121 TRP H H 121 7.297 7.297 7.737 -0.440 25104 664 1 . 1 1 122 122 LEU N N 122 119.806 119.806 119.126 0.680 25104 665 1 . 1 1 122 122 LEU HA H 122 4.315 4.315 4.284 0.031 25104 666 1 . 1 1 122 122 LEU C C 122 173.304 173.304 176.404 -3.100 25104 667 1 . 1 1 122 122 LEU CA C 122 54.543 54.543 54.190 0.353 25104 668 1 . 1 1 122 122 LEU CB C 122 39.075 39.075 40.760 -1.685 25104 669 1 . 1 1 122 122 LEU H H 122 7.037 7.037 6.863 0.174 25104 670 1 . 1 1 123 123 ASP N N 123 122.205 122.205 120.894 1.311 25104 671 1 . 1 1 123 123 ASP HA H 123 5.222 5.222 4.694 0.527 25104 672 1 . 1 1 123 123 ASP C C 123 179.276 179.276 177.134 2.142 25104 673 1 . 1 1 123 123 ASP CA C 123 55.889 55.889 55.564 0.325 25104 674 1 . 1 1 123 123 ASP CB C 123 39.517 39.517 41.092 -1.575 25104 675 1 . 1 1 123 123 ASP H H 123 7.643 7.643 7.428 0.215 25104 676 1 . 1 1 124 124 GLY N N 124 111.205 111.205 111.003 0.202 25104 677 1 . 1 1 124 124 GLY C C 124 173.148 173.148 174.312 -1.165 25104 678 1 . 1 1 124 124 GLY CA C 124 45.114 45.114 45.162 -0.048 25104 679 1 . 1 1 124 124 GLY H H 124 9.550 9.550 8.681 0.869 25104 680 1 . 1 1 125 125 LYS N N 125 115.408 115.408 120.547 -5.139 25104 681 1 . 1 1 125 125 LYS HA H 125 4.173 4.173 4.475 -0.302 25104 682 1 . 1 1 125 125 LYS C C 125 176.351 176.351 175.934 0.417 25104 683 1 . 1 1 125 125 LYS CA C 125 56.341 56.341 55.195 1.146 25104 684 1 . 1 1 125 125 LYS CB C 125 35.504 35.504 34.073 1.431 25104 685 1 . 1 1 125 125 LYS H H 125 7.765 7.765 7.563 0.202 25104 686 1 . 1 1 126 126 HIS N N 126 119.526 119.526 117.889 1.637 25104 687 1 . 1 1 126 126 HIS HA H 126 4.863 4.863 4.713 0.150 25104 688 1 . 1 1 126 126 HIS C C 126 174.784 174.784 175.785 -1.001 25104 689 1 . 1 1 126 126 HIS CA C 126 54.923 54.923 56.212 -1.289 25104 690 1 . 1 1 126 126 HIS CB C 126 31.675 31.675 30.297 1.378 25104 691 1 . 1 1 126 126 HIS H H 126 7.600 7.600 8.545 -0.945 25104 692 1 . 1 1 127 127 VAL N N 127 125.009 125.009 123.395 1.614 25104 693 1 . 1 1 127 127 VAL HA H 127 4.307 4.307 3.947 0.360 25104 694 1 . 1 1 127 127 VAL C C 127 176.442 176.442 175.860 0.582 25104 695 1 . 1 1 127 127 VAL CA C 127 63.893 63.893 63.109 0.784 25104 696 1 . 1 1 127 127 VAL CB C 127 33.553 33.553 32.278 1.275 25104 697 1 . 1 1 127 127 VAL H H 127 8.523 8.523 8.123 0.400 25104 698 1 . 1 1 128 128 VAL N N 128 133.065 133.065 124.734 8.331 25104 699 1 . 1 1 128 128 VAL HA H 128 4.176 4.176 3.675 0.501 25104 700 1 . 1 1 128 128 VAL C C 128 176.113 176.113 175.634 0.479 25104 701 1 . 1 1 128 128 VAL CA C 128 63.172 63.172 63.688 -0.516 25104 702 1 . 1 1 128 128 VAL CB C 128 31.612 31.612 31.892 -0.280 25104 703 1 . 1 1 128 128 VAL H H 128 9.474 9.474 7.836 1.638 25104 704 1 . 1 1 129 129 PHE N N 129 117.892 117.892 118.033 -0.141 25104 705 1 . 1 1 129 129 PHE HA H 129 5.308 5.308 4.955 0.353 25104 706 1 . 1 1 129 129 PHE C C 129 173.725 173.725 174.178 -0.453 25104 707 1 . 1 1 129 129 PHE CA C 129 55.969 55.969 56.854 -0.885 25104 708 1 . 1 1 129 129 PHE CB C 129 42.581 42.581 41.142 1.439 25104 709 1 . 1 1 129 129 PHE H H 129 8.138 8.138 7.919 0.219 25104 710 1 . 1 1 130 130 GLY N N 130 110.747 110.747 106.427 4.320 25104 711 1 . 1 1 130 130 GLY C C 130 171.591 171.591 171.844 -0.253 25104 712 1 . 1 1 130 130 GLY CA C 130 46.505 46.505 44.121 2.384 25104 713 1 . 1 1 130 130 GLY H H 130 7.356 7.356 7.352 0.004 25104 714 1 . 1 1 131 131 LYS N N 131 115.453 115.453 120.608 -5.155 25104 715 1 . 1 1 131 131 LYS HA H 131 5.246 5.246 5.022 0.224 25104 716 1 . 1 1 131 131 LYS C C 131 176.109 176.109 175.238 0.871 25104 717 1 . 1 1 131 131 LYS CA C 131 54.887 54.887 55.311 -0.424 25104 718 1 . 1 1 131 131 LYS CB C 131 36.077 36.077 37.097 -1.020 25104 719 1 . 1 1 131 131 LYS H H 131 8.390 8.390 8.059 0.331 25104 720 1 . 1 1 132 132 VAL N N 132 124.311 124.311 127.550 -3.239 25104 721 1 . 1 1 132 132 VAL HA H 132 3.955 3.955 3.933 0.022 25104 722 1 . 1 1 132 132 VAL C C 132 176.489 176.489 176.064 0.425 25104 723 1 . 1 1 132 132 VAL CA C 132 64.284 64.284 63.685 0.599 25104 724 1 . 1 1 132 132 VAL CB C 132 32.709 32.709 31.310 1.399 25104 725 1 . 1 1 132 132 VAL H H 132 9.071 9.071 8.574 0.497 25104 726 1 . 1 1 133 133 LYS N N 133 131.670 131.670 127.545 4.125 25104 727 1 . 1 1 133 133 LYS HA H 133 4.483 4.483 4.363 0.120 25104 728 1 . 1 1 133 133 LYS C C 133 176.283 176.283 176.891 -0.608 25104 729 1 . 1 1 133 133 LYS CA C 133 56.978 56.978 56.980 -0.002 25104 730 1 . 1 1 133 133 LYS CB C 133 34.028 34.028 33.381 0.647 25104 731 1 . 1 1 133 133 LYS H H 133 9.494 9.494 8.433 1.061 25104 732 1 . 1 1 134 134 GLU N N 134 118.417 118.417 119.294 -0.877 25104 733 1 . 1 1 134 134 GLU HA H 134 4.639 4.639 4.507 0.132 25104 734 1 . 1 1 134 134 GLU C C 134 175.925 175.925 175.819 0.106 25104 735 1 . 1 1 134 134 GLU CA C 134 55.235 55.235 55.592 -0.357 25104 736 1 . 1 1 134 134 GLU CB C 134 32.909 32.909 32.420 0.489 25104 737 1 . 1 1 134 134 GLU H H 134 7.571 7.571 7.713 -0.142 25104 738 1 . 1 1 135 135 GLY N N 135 108.109 108.109 110.516 -2.407 25104 739 1 . 1 1 135 135 GLY C C 135 178.060 178.060 175.290 2.770 25104 740 1 . 1 1 135 135 GLY CA C 135 46.195 46.195 45.697 0.499 25104 741 1 . 1 1 135 135 GLY H H 135 8.695 8.695 8.794 -0.099 25104 742 1 . 1 1 136 136 MET N N 136 122.582 122.582 119.514 3.068 25104 743 1 . 1 1 136 136 MET HA H 136 4.496 4.496 4.123 0.373 25104 744 1 . 1 1 136 136 MET C C 136 178.649 178.649 176.888 1.761 25104 745 1 . 1 1 136 136 MET CA C 136 56.829 56.829 57.017 -0.188 25104 746 1 . 1 1 136 136 MET CB C 136 30.215 30.215 32.386 -2.171 25104 747 1 . 1 1 136 136 MET H H 136 8.854 8.854 8.317 0.537 25104 748 1 . 1 1 137 137 ASN N N 137 114.457 114.457 117.038 -2.581 25104 749 1 . 1 1 137 137 ASN HA H 137 4.504 4.504 4.579 -0.075 25104 750 1 . 1 1 137 137 ASN C C 137 178.441 178.441 177.603 0.838 25104 751 1 . 1 1 137 137 ASN CA C 137 55.819 55.819 56.270 -0.451 25104 752 1 . 1 1 137 137 ASN CB C 137 36.016 36.016 37.893 -1.877 25104 753 1 . 1 1 137 137 ASN H H 137 8.932 8.932 8.598 0.334 25104 754 1 . 1 1 138 138 ILE N N 138 124.190 124.190 119.502 4.688 25104 755 1 . 1 1 138 138 ILE HA H 138 3.800 3.800 3.893 -0.093 25104 756 1 . 1 1 138 138 ILE C C 138 178.595 178.595 177.707 0.888 25104 757 1 . 1 1 138 138 ILE CA C 138 61.581 61.581 63.084 -1.503 25104 758 1 . 1 1 138 138 ILE CB C 138 34.468 34.468 36.837 -2.369 25104 759 1 . 1 1 138 138 ILE H H 138 7.686 7.686 7.520 0.166 25104 760 1 . 1 1 139 139 VAL N N 139 121.912 121.912 120.665 1.247 25104 761 1 . 1 1 139 139 VAL HA H 139 3.879 3.879 3.589 0.290 25104 762 1 . 1 1 139 139 VAL C C 139 179.051 179.051 178.389 0.662 25104 763 1 . 1 1 139 139 VAL CA C 139 66.206 66.206 66.973 -0.767 25104 764 1 . 1 1 139 139 VAL CB C 139 31.195 31.195 31.129 0.066 25104 765 1 . 1 1 139 139 VAL H H 139 7.286 7.286 7.676 -0.390 25104 766 1 . 1 1 140 140 GLU N N 140 117.357 117.357 118.880 -1.523 25104 767 1 . 1 1 140 140 GLU HA H 140 4.095 4.095 4.020 0.075 25104 768 1 . 1 1 140 140 GLU C C 140 180.486 180.486 178.565 1.921 25104 769 1 . 1 1 140 140 GLU CA C 140 59.336 59.336 59.029 0.307 25104 770 1 . 1 1 140 140 GLU CB C 140 30.199 30.199 29.345 0.855 25104 771 1 . 1 1 140 140 GLU H H 140 8.309 8.309 8.025 0.284 25104 772 1 . 1 1 141 141 ALA N N 141 121.133 121.133 121.823 -0.690 25104 773 1 . 1 1 141 141 ALA HA H 141 4.118 4.118 4.057 0.061 25104 774 1 . 1 1 141 141 ALA C C 141 181.524 181.524 179.508 2.016 25104 775 1 . 1 1 141 141 ALA CA C 141 54.771 54.771 54.818 -0.047 25104 776 1 . 1 1 141 141 ALA CB C 141 18.207 18.207 18.575 -0.368 25104 777 1 . 1 1 141 141 ALA H H 141 7.539 7.539 7.673 -0.134 25104 778 1 . 1 1 142 142 MET N N 142 117.513 117.513 116.349 1.164 25104 779 1 . 1 1 142 142 MET HA H 142 3.993 3.993 4.553 -0.560 25104 780 1 . 1 1 142 142 MET C C 142 178.862 178.862 178.515 0.347 25104 781 1 . 1 1 142 142 MET CA C 142 59.678 59.678 58.599 1.079 25104 782 1 . 1 1 142 142 MET CB C 142 33.723 33.723 32.428 1.295 25104 783 1 . 1 1 142 142 MET H H 142 8.284 8.284 8.072 0.212 25104 784 1 . 1 1 143 143 GLU N N 143 116.365 116.365 120.643 -4.278 25104 785 1 . 1 1 143 143 GLU HA H 143 3.772 3.772 4.049 -0.277 25104 786 1 . 1 1 143 143 GLU C C 143 179.051 179.051 178.792 0.259 25104 787 1 . 1 1 143 143 GLU CA C 143 59.345 59.345 59.372 -0.027 25104 788 1 . 1 1 143 143 GLU CB C 143 30.470 30.470 29.433 1.037 25104 789 1 . 1 1 143 143 GLU H H 143 7.853 7.853 8.072 -0.219 25104 790 1 . 1 1 144 144 ARG N N 144 114.753 114.753 117.038 -2.285 25104 791 1 . 1 1 144 144 ARG HA H 144 3.978 3.978 4.082 -0.104 25104 792 1 . 1 1 144 144 ARG C C 144 178.222 178.222 177.438 0.784 25104 793 1 . 1 1 144 144 ARG CA C 144 57.669 57.669 57.766 -0.097 25104 794 1 . 1 1 144 144 ARG CB C 144 29.523 29.523 30.041 -0.518 25104 795 1 . 1 1 144 144 ARG H H 144 7.082 7.082 7.381 -0.299 25104 796 1 . 1 1 145 145 PHE N N 145 115.388 115.388 116.818 -1.430 25104 797 1 . 1 1 145 145 PHE HA H 145 4.851 4.851 4.543 0.308 25104 798 1 . 1 1 145 145 PHE C C 145 176.868 176.868 175.435 1.433 25104 799 1 . 1 1 145 145 PHE CA C 145 57.717 57.717 58.465 -0.748 25104 800 1 . 1 1 145 145 PHE CB C 145 38.998 38.998 38.854 0.144 25104 801 1 . 1 1 145 145 PHE H H 145 7.651 7.651 7.393 0.258 25104 802 1 . 1 1 146 146 GLY N N 146 104.842 104.842 106.777 -1.935 25104 803 1 . 1 1 146 146 GLY C C 146 172.946 172.946 173.503 -0.557 25104 804 1 . 1 1 146 146 GLY CA C 146 44.065 44.065 44.296 -0.231 25104 805 1 . 1 1 146 146 GLY H H 146 7.551 7.551 7.524 0.027 25104 806 1 . 1 1 147 147 SER N N 147 110.079 110.079 113.188 -3.109 25104 807 1 . 1 1 147 147 SER HA H 147 4.813 4.813 4.842 -0.029 25104 808 1 . 1 1 147 147 SER C C 147 176.384 176.384 175.462 0.922 25104 809 1 . 1 1 147 147 SER CA C 147 58.165 58.165 56.678 1.487 25104 810 1 . 1 1 147 147 SER CB C 147 65.804 65.804 66.178 -0.374 25104 811 1 . 1 1 147 147 SER H H 147 8.229 8.229 8.124 0.105 25104 812 1 . 1 1 148 148 ARG N N 148 120.299 120.299 121.815 -1.516 25104 813 1 . 1 1 148 148 ARG HA H 148 4.221 4.221 4.157 0.064 25104 814 1 . 1 1 148 148 ARG C C 148 177.709 177.709 176.750 0.959 25104 815 1 . 1 1 148 148 ARG CA C 148 59.810 59.810 58.509 1.301 25104 816 1 . 1 1 148 148 ARG CB C 148 29.896 29.896 29.773 0.123 25104 817 1 . 1 1 148 148 ARG H H 148 8.850 8.850 8.772 0.078 25104 818 1 . 1 1 149 149 ASN N N 149 111.689 111.689 114.363 -2.674 25104 819 1 . 1 1 149 149 ASN HA H 149 4.901 4.901 4.670 0.231 25104 820 1 . 1 1 149 149 ASN C C 149 177.708 177.708 176.012 1.696 25104 821 1 . 1 1 149 149 ASN CA C 149 52.305 52.305 53.009 -0.705 25104 822 1 . 1 1 149 149 ASN CB C 149 38.477 38.477 38.100 0.377 25104 823 1 . 1 1 149 149 ASN H H 149 7.891 7.891 7.984 -0.093 25104 824 1 . 1 1 150 150 GLY N N 150 110.138 110.138 107.975 2.163 25104 825 1 . 1 1 150 150 GLY C C 150 174.368 174.368 173.628 0.740 25104 826 1 . 1 1 150 150 GLY CA C 150 45.257 45.257 44.867 0.390 25104 827 1 . 1 1 150 150 GLY H H 150 8.087 8.087 8.004 0.083 25104 828 1 . 1 1 151 151 LYS N N 151 119.859 119.859 122.937 -3.078 25104 829 1 . 1 1 151 151 LYS HA H 151 4.466 4.466 4.388 0.078 25104 830 1 . 1 1 151 151 LYS C C 151 179.533 179.533 175.869 3.664 25104 831 1 . 1 1 151 151 LYS CA C 151 57.088 57.088 56.395 0.693 25104 832 1 . 1 1 151 151 LYS CB C 151 32.435 32.435 33.536 -1.101 25104 833 1 . 1 1 151 151 LYS H H 151 7.534 7.534 7.809 -0.275 25104 834 1 . 1 1 152 152 THR N N 152 116.442 116.442 117.796 -1.354 25104 835 1 . 1 1 152 152 THR HA H 152 5.579 5.579 4.694 0.885 25104 836 1 . 1 1 152 152 THR C C 152 176.969 176.969 174.860 2.109 25104 837 1 . 1 1 152 152 THR CA C 152 60.097 60.097 61.303 -1.206 25104 838 1 . 1 1 152 152 THR CB C 152 71.324 71.324 69.493 1.831 25104 839 1 . 1 1 152 152 THR H H 152 8.837 8.837 8.391 0.446 25104 840 1 . 1 1 153 153 SER N N 153 117.113 117.113 120.527 -3.414 25104 841 1 . 1 1 153 153 SER HA H 153 4.574 4.574 4.336 0.238 25104 842 1 . 1 1 153 153 SER C C 153 175.737 175.737 174.643 1.094 25104 843 1 . 1 1 153 153 SER CA C 153 58.222 58.222 60.866 -2.644 25104 844 1 . 1 1 153 153 SER CB C 153 63.922 63.922 63.617 0.305 25104 845 1 . 1 1 153 153 SER H H 153 9.424 9.424 8.815 0.609 25104 846 1 . 1 1 154 154 LYS N N 154 119.347 119.347 119.888 -0.541 25104 847 1 . 1 1 154 154 LYS HA H 154 4.594 4.594 4.490 0.104 25104 848 1 . 1 1 154 154 LYS C C 154 175.436 175.436 175.477 -0.041 25104 849 1 . 1 1 154 154 LYS CA C 154 54.578 54.578 53.903 0.675 25104 850 1 . 1 1 154 154 LYS CB C 154 38.443 38.443 34.048 4.395 25104 851 1 . 1 1 154 154 LYS H H 154 7.566 7.566 7.520 0.046 25104 852 1 . 1 1 155 155 LYS N N 155 121.869 121.869 124.739 -2.870 25104 853 1 . 1 1 155 155 LYS HA H 155 4.348 4.348 4.387 -0.039 25104 854 1 . 1 1 155 155 LYS C C 155 176.946 176.946 175.798 1.148 25104 855 1 . 1 1 155 155 LYS CA C 155 56.325 56.325 55.437 0.888 25104 856 1 . 1 1 155 155 LYS CB C 155 32.136 32.136 31.349 0.787 25104 857 1 . 1 1 155 155 LYS H H 155 8.820 8.820 8.509 0.311 25104 858 1 . 1 1 156 156 ILE N N 156 134.145 134.145 128.242 5.903 25104 859 1 . 1 1 156 156 ILE HA H 156 5.134 5.134 4.843 0.291 25104 860 1 . 1 1 156 156 ILE C C 156 177.451 177.451 175.654 1.797 25104 861 1 . 1 1 156 156 ILE CA C 156 59.538 59.538 60.785 -1.247 25104 862 1 . 1 1 156 156 ILE CB C 156 37.167 37.167 38.267 -1.100 25104 863 1 . 1 1 156 156 ILE H H 156 9.609 9.609 8.036 1.573 25104 864 1 . 1 1 157 157 THR N N 157 117.447 117.447 118.201 -0.754 25104 865 1 . 1 1 157 157 THR HA H 157 5.311 5.311 5.219 0.092 25104 866 1 . 1 1 157 157 THR C C 157 174.572 174.572 174.204 0.368 25104 867 1 . 1 1 157 157 THR CA C 157 59.679 59.679 59.485 0.194 25104 868 1 . 1 1 157 157 THR CB C 157 72.708 72.708 71.912 0.796 25104 869 1 . 1 1 157 157 THR H H 157 9.281 9.281 8.873 0.408 25104 870 1 . 1 1 158 158 ILE N N 158 121.950 121.950 123.752 -1.802 25104 871 1 . 1 1 158 158 ILE HA H 158 4.293 4.293 4.394 -0.101 25104 872 1 . 1 1 158 158 ILE C C 158 175.631 175.631 176.643 -1.012 25104 873 1 . 1 1 158 158 ILE CA C 158 60.992 60.992 61.795 -0.803 25104 874 1 . 1 1 158 158 ILE CB C 158 36.826 36.826 36.660 0.166 25104 875 1 . 1 1 158 158 ILE H H 158 8.624 8.624 8.357 0.267 25104 876 1 . 1 1 159 159 ALA N N 159 132.727 132.727 131.163 1.564 25104 877 1 . 1 1 159 159 ALA HA H 159 4.179 4.179 4.065 0.114 25104 878 1 . 1 1 159 159 ALA C C 159 179.489 179.489 176.980 2.509 25104 879 1 . 1 1 159 159 ALA CA C 159 54.243 54.243 54.660 -0.417 25104 880 1 . 1 1 159 159 ALA CB C 159 18.804 18.804 19.353 -0.549 25104 881 1 . 1 1 159 159 ALA H H 159 8.910 8.910 8.717 0.193 25104 882 1 . 1 1 160 160 ASP N N 160 111.561 111.561 112.539 -0.978 25104 883 1 . 1 1 160 160 ASP HA H 160 4.937 4.937 4.951 -0.014 25104 884 1 . 1 1 160 160 ASP C C 160 173.920 173.920 174.353 -0.433 25104 885 1 . 1 1 160 160 ASP CA C 160 52.873 52.873 53.676 -0.803 25104 886 1 . 1 1 160 160 ASP CB C 160 43.620 43.620 43.694 -0.074 25104 887 1 . 1 1 160 160 ASP H H 160 8.107 8.107 7.727 0.380 25104 888 1 . 1 1 161 161 CYS N N 161 116.145 116.145 117.545 -1.400 25104 889 1 . 1 1 161 161 CYS HA H 161 4.626 4.626 5.817 -1.191 25104 890 1 . 1 1 161 161 CYS C C 161 173.426 173.426 174.504 -1.078 25104 891 1 . 1 1 161 161 CYS CA C 161 55.518 55.518 56.310 -0.792 25104 892 1 . 1 1 161 161 CYS CB C 161 31.463 31.463 32.196 -0.733 25104 893 1 . 1 1 161 161 CYS H H 161 8.640 8.640 8.627 0.013 25104 894 1 . 1 1 162 162 GLY N N 162 104.114 104.114 107.940 -3.826 25104 895 1 . 1 1 162 162 GLY C C 162 171.116 171.116 173.420 -2.304 25104 896 1 . 1 1 162 162 GLY CA C 162 45.436 45.436 44.885 0.551 25104 897 1 . 1 1 162 162 GLY H H 162 6.889 6.889 8.471 -1.582 25104 898 1 . 1 1 163 163 GLN N N 163 121.022 121.022 119.455 1.567 25104 899 1 . 1 1 163 163 GLN HA H 163 5.150 5.150 4.188 0.962 25104 900 1 . 1 1 163 163 GLN C C 163 176.548 176.548 175.185 1.363 25104 901 1 . 1 1 163 163 GLN CA C 163 54.794 54.794 56.141 -1.347 25104 902 1 . 1 1 163 163 GLN CB C 163 30.765 30.765 29.053 1.712 25104 903 1 . 1 1 163 163 GLN H H 163 9.062 9.062 8.067 0.995 25104 904 1 . 1 1 164 164 LEU N N 164 126.034 126.034 127.656 -1.622 25104 905 1 . 1 1 164 164 LEU HA H 164 4.641 4.641 4.315 0.326 25104 906 1 . 1 1 164 164 LEU C C 164 177.108 177.108 175.911 1.198 25104 907 1 . 1 1 164 164 LEU CA C 164 55.036 55.036 54.608 0.428 25104 908 1 . 1 1 164 164 LEU CB C 164 43.560 43.560 40.844 2.716 25104 909 1 . 1 1 164 164 LEU H H 164 8.639 8.639 8.368 0.271 25104 stop_ save_