data_25585 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25585 _Entry.PDB_ID 2N24 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 25585 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 3 3 CYS N N 3 120.614 120.614 123.907 -3.293 25585 2 1 1 . 1 1 3 3 CYS HA H 3 4.799 4.799 4.546 0.253 25585 3 1 1 . 1 1 3 3 CYS CA C 3 51.792 51.792 57.219 -5.428 25585 4 1 1 . 1 1 3 3 CYS CB C 3 42.170 42.170 30.057 12.113 25585 5 1 1 . 1 1 3 3 CYS H H 3 7.958 7.958 7.585 0.373 25585 6 1 1 . 1 1 4 4 GLN N N 4 121.450 121.450 120.793 0.657 25585 7 1 1 . 1 1 4 4 GLN HA H 4 4.180 4.180 4.122 0.058 25585 8 1 1 . 1 1 4 4 GLN CA C 4 54.557 54.557 53.067 1.490 25585 9 1 1 . 1 1 4 4 GLN CB C 4 27.191 27.191 28.416 -1.225 25585 10 1 1 . 1 1 4 4 GLN H H 4 8.737 8.737 8.156 0.581 25585 11 1 1 . 1 1 5 5 PRO HA H 5 4.409 4.409 4.207 0.202 25585 12 1 1 . 1 1 5 5 PRO CA C 5 64.354 64.354 64.177 0.177 25585 13 1 1 . 1 1 5 5 PRO CB C 5 31.710 31.710 31.767 -0.057 25585 14 1 1 . 1 1 6 6 GLY N N 6 111.865 111.865 110.835 1.030 25585 15 1 1 . 1 1 6 6 GLY CA C 6 45.063 45.063 45.934 -0.871 25585 16 1 1 . 1 1 6 6 GLY H H 6 8.948 8.948 8.673 0.275 25585 17 1 1 . 1 1 7 7 TYR N N 7 120.136 120.136 119.637 0.499 25585 18 1 1 . 1 1 7 7 TYR HA H 7 5.057 5.057 5.075 -0.018 25585 19 1 1 . 1 1 7 7 TYR CA C 7 56.393 56.393 56.518 -0.125 25585 20 1 1 . 1 1 7 7 TYR CB C 7 41.345 41.345 42.104 -0.759 25585 21 1 1 . 1 1 7 7 TYR H H 7 8.300 8.300 7.616 0.684 25585 22 1 1 . 1 1 8 8 ALA N N 8 121.599 121.599 122.606 -1.007 25585 23 1 1 . 1 1 8 8 ALA HA H 8 4.686 4.686 4.674 0.012 25585 24 1 1 . 1 1 8 8 ALA CA C 8 50.942 50.942 50.710 0.232 25585 25 1 1 . 1 1 8 8 ALA CB C 8 22.157 22.157 22.150 0.007 25585 26 1 1 . 1 1 8 8 ALA H H 8 9.286 9.286 8.912 0.374 25585 27 1 1 . 1 1 9 9 TYR N N 9 124.797 124.797 124.170 0.627 25585 28 1 1 . 1 1 9 9 TYR HA H 9 4.338 4.338 4.237 0.101 25585 29 1 1 . 1 1 9 9 TYR CA C 9 59.315 59.315 58.491 0.824 25585 30 1 1 . 1 1 9 9 TYR CB C 9 38.798 38.798 38.272 0.526 25585 31 1 1 . 1 1 9 9 TYR H H 9 9.112 9.112 8.701 0.411 25585 32 1 1 . 1 1 10 10 ASN N N 10 128.087 128.087 125.649 2.438 25585 33 1 1 . 1 1 10 10 ASN HA H 10 5.079 5.079 4.931 0.148 25585 34 1 1 . 1 1 10 10 ASN CA C 10 49.172 49.172 49.511 -0.339 25585 35 1 1 . 1 1 10 10 ASN CB C 10 38.824 38.824 40.072 -1.248 25585 36 1 1 . 1 1 10 10 ASN H H 10 8.210 8.210 8.547 -0.337 25585 37 1 1 . 1 1 11 11 PRO HA H 11 4.065 4.065 4.099 -0.034 25585 38 1 1 . 1 1 11 11 PRO CA C 11 63.988 63.988 64.129 -0.141 25585 39 1 1 . 1 1 11 11 PRO CB C 11 32.043 32.043 31.526 0.517 25585 40 1 1 . 1 1 12 12 VAL N N 12 119.341 119.341 115.117 4.224 25585 41 1 1 . 1 1 12 12 VAL HA H 12 3.758 3.758 4.039 -0.281 25585 42 1 1 . 1 1 12 12 VAL CA C 12 65.103 65.103 63.242 1.861 25585 43 1 1 . 1 1 12 12 VAL CB C 12 31.723 31.723 32.059 -0.336 25585 44 1 1 . 1 1 12 12 VAL H H 12 7.570 7.570 7.519 0.051 25585 45 1 1 . 1 1 13 13 LEU N N 13 116.412 116.412 120.254 -3.842 25585 46 1 1 . 1 1 13 13 LEU HA H 13 4.289 4.289 4.715 -0.426 25585 47 1 1 . 1 1 13 13 LEU CA C 13 55.820 55.820 55.316 0.504 25585 48 1 1 . 1 1 13 13 LEU CB C 13 43.984 43.984 44.673 -0.689 25585 49 1 1 . 1 1 13 13 LEU H H 13 6.902 6.902 7.708 -0.806 25585 50 1 1 . 1 1 14 14 GLY N N 14 108.651 108.651 107.535 1.116 25585 51 1 1 . 1 1 14 14 GLY CA C 14 46.243 46.243 45.083 1.160 25585 52 1 1 . 1 1 14 14 GLY H H 14 8.387 8.387 8.569 -0.182 25585 53 1 1 . 1 1 15 15 ILE N N 15 109.703 109.703 114.065 -4.362 25585 54 1 1 . 1 1 15 15 ILE HA H 15 4.829 4.829 4.810 0.019 25585 55 1 1 . 1 1 15 15 ILE CA C 15 58.677 58.677 58.787 -0.110 25585 56 1 1 . 1 1 15 15 ILE CB C 15 43.373 43.373 40.362 3.011 25585 57 1 1 . 1 1 15 15 ILE H H 15 6.727 6.727 7.303 -0.576 25585 58 1 1 . 1 1 16 16 CYS N N 16 120.648 120.648 119.785 0.863 25585 59 1 1 . 1 1 16 16 CYS HA H 16 5.192 5.192 5.281 -0.089 25585 60 1 1 . 1 1 16 16 CYS CA C 16 55.993 55.993 58.447 -2.454 25585 61 1 1 . 1 1 16 16 CYS CB C 16 43.124 43.124 27.474 15.650 25585 62 1 1 . 1 1 16 16 CYS H H 16 8.811 8.811 8.685 0.126 25585 63 1 1 . 1 1 17 17 THR N N 17 116.440 116.440 115.538 0.902 25585 64 1 1 . 1 1 17 17 THR HA H 17 4.859 4.859 4.834 0.025 25585 65 1 1 . 1 1 17 17 THR CB C 17 69.862 69.862 71.108 -1.246 25585 66 1 1 . 1 1 17 17 THR H H 17 9.357 9.357 9.150 0.207 25585 67 1 1 . 1 1 18 18 ILE N N 18 124.956 124.956 123.238 1.718 25585 68 1 1 . 1 1 18 18 ILE HA H 18 3.392 3.392 3.102 0.290 25585 69 1 1 . 1 1 18 18 ILE CA C 18 62.208 62.208 61.703 0.505 25585 70 1 1 . 1 1 18 18 ILE CB C 18 38.935 38.935 38.248 0.688 25585 71 1 1 . 1 1 18 18 ILE H H 18 8.493 8.493 8.356 0.137 25585 72 1 1 . 1 1 19 19 THR N N 19 119.997 119.997 122.410 -2.413 25585 73 1 1 . 1 1 19 19 THR HA H 19 4.331 4.331 4.399 -0.068 25585 74 1 1 . 1 1 19 19 THR CA C 19 61.222 61.222 60.419 0.804 25585 75 1 1 . 1 1 19 19 THR CB C 19 69.839 69.839 70.257 -0.418 25585 76 1 1 . 1 1 19 19 THR H H 19 8.060 8.060 8.122 -0.062 25585 77 1 1 . 1 1 20 20 LEU N N 20 125.150 125.150 126.078 -0.928 25585 78 1 1 . 1 1 20 20 LEU HA H 20 4.287 4.287 4.045 0.242 25585 79 1 1 . 1 1 20 20 LEU CA C 20 56.119 56.119 57.310 -1.191 25585 80 1 1 . 1 1 20 20 LEU CB C 20 42.079 42.079 41.727 0.352 25585 81 1 1 . 1 1 20 20 LEU H H 20 8.354 8.354 8.652 -0.298 25585 82 1 1 . 1 1 21 21 SER N N 21 115.796 115.796 113.214 2.582 25585 83 1 1 . 1 1 21 21 SER HA H 21 4.350 4.350 3.344 1.006 25585 84 1 1 . 1 1 21 21 SER CA C 21 58.899 58.899 60.549 -1.650 25585 85 1 1 . 1 1 21 21 SER CB C 21 63.363 63.363 62.996 0.367 25585 86 1 1 . 1 1 21 21 SER H H 21 8.274 8.274 7.913 0.361 25585 87 1 1 . 1 1 22 22 ARG N N 22 122.561 122.561 120.652 1.909 25585 88 1 1 . 1 1 22 22 ARG HA H 22 4.289 4.289 3.870 0.419 25585 89 1 1 . 1 1 22 22 ARG CA C 22 54.946 54.946 58.223 -3.277 25585 90 1 1 . 1 1 22 22 ARG CB C 22 30.369 30.369 30.165 0.204 25585 91 1 1 . 1 1 22 22 ARG H H 22 8.149 8.149 7.274 0.875 25585 92 1 1 . 1 1 23 23 ILE N N 23 121.335 121.335 118.859 2.476 25585 93 1 1 . 1 1 23 23 ILE HA H 23 4.001 4.001 3.832 0.169 25585 94 1 1 . 1 1 23 23 ILE CA C 23 61.671 61.671 64.067 -2.396 25585 95 1 1 . 1 1 23 23 ILE CB C 23 38.383 38.383 38.379 0.004 25585 96 1 1 . 1 1 23 23 ILE H H 23 8.002 8.002 7.511 0.491 25585 97 1 1 . 1 1 24 24 GLU N N 24 122.372 122.372 117.986 4.386 25585 98 1 1 . 1 1 24 24 GLU HA H 24 4.209 4.209 4.556 -0.347 25585 99 1 1 . 1 1 24 24 GLU CA C 24 56.115 56.115 56.009 0.106 25585 100 1 1 . 1 1 24 24 GLU CB C 24 29.306 29.306 29.886 -0.580 25585 101 1 1 . 1 1 24 24 GLU H H 24 8.317 8.317 8.507 -0.190 25585 102 1 1 . 1 1 25 25 HIS N N 25 118.365 118.365 121.802 -3.437 25585 103 1 1 . 1 1 25 25 HIS HA H 25 5.022 5.022 4.889 0.133 25585 104 1 1 . 1 1 25 25 HIS CA C 25 52.772 52.772 53.731 -0.959 25585 105 1 1 . 1 1 25 25 HIS CB C 25 28.551 28.551 29.778 -1.227 25585 106 1 1 . 1 1 25 25 HIS H H 25 8.323 8.323 8.709 -0.386 25585 107 1 1 . 1 1 26 26 PRO HA H 26 4.468 4.468 3.493 0.975 25585 108 1 1 . 1 1 26 26 PRO CA C 26 63.834 63.834 64.689 -0.855 25585 109 1 1 . 1 1 26 26 PRO CB C 26 31.936 31.936 31.687 0.249 25585 110 1 1 . 1 1 27 27 GLY N N 27 108.880 108.880 103.585 5.295 25585 111 1 1 . 1 1 27 27 GLY CA C 27 45.212 45.212 46.214 -1.002 25585 112 1 1 . 1 1 27 27 GLY H H 27 8.594 8.594 8.422 0.172 25585 113 1 1 . 1 1 28 28 ASN N N 28 118.144 118.144 122.499 -4.355 25585 114 1 1 . 1 1 28 28 ASN HA H 28 4.665 4.665 4.580 0.085 25585 115 1 1 . 1 1 28 28 ASN CA C 28 52.967 52.967 55.348 -2.381 25585 116 1 1 . 1 1 28 28 ASN CB C 28 38.579 38.579 38.890 -0.311 25585 117 1 1 . 1 1 28 28 ASN H H 28 8.154 8.154 7.895 0.259 25585 118 1 1 . 1 1 29 29 TYR N N 29 119.962 119.962 114.653 5.309 25585 119 1 1 . 1 1 29 29 TYR HA H 29 4.520 4.520 4.885 -0.365 25585 120 1 1 . 1 1 29 29 TYR CA C 29 57.544 57.544 54.956 2.588 25585 121 1 1 . 1 1 29 29 TYR CB C 29 39.011 39.011 37.941 1.069 25585 122 1 1 . 1 1 29 29 TYR H H 29 8.058 8.058 7.715 0.343 25585 123 1 1 . 1 1 30 30 ASP N N 30 120.874 120.874 122.394 -1.520 25585 124 1 1 . 1 1 30 30 ASP HA H 30 4.679 4.679 4.166 0.513 25585 125 1 1 . 1 1 30 30 ASP CA C 30 52.827 52.827 55.636 -2.809 25585 126 1 1 . 1 1 30 30 ASP CB C 30 38.567 38.567 41.024 -2.457 25585 127 1 1 . 1 1 30 30 ASP H H 30 8.226 8.226 7.993 0.233 25585 128 1 2 . 1 1 3 3 CYS N N 3 120.614 120.614 123.563 -2.949 25585 129 1 2 . 1 1 3 3 CYS HA H 3 4.799 4.799 4.512 0.287 25585 130 1 2 . 1 1 3 3 CYS CA C 3 51.792 51.792 57.805 -6.013 25585 131 1 2 . 1 1 3 3 CYS CB C 3 42.170 42.170 29.750 12.420 25585 132 1 2 . 1 1 3 3 CYS H H 3 7.958 7.958 7.576 0.382 25585 133 1 2 . 1 1 4 4 GLN N N 4 121.450 121.450 120.866 0.584 25585 134 1 2 . 1 1 4 4 GLN HA H 4 4.180 4.180 4.143 0.037 25585 135 1 2 . 1 1 4 4 GLN CA C 4 54.557 54.557 52.985 1.572 25585 136 1 2 . 1 1 4 4 GLN CB C 4 27.191 27.191 28.423 -1.232 25585 137 1 2 . 1 1 4 4 GLN H H 4 8.737 8.737 8.149 0.588 25585 138 1 2 . 1 1 5 5 PRO HA H 5 4.409 4.409 4.187 0.222 25585 139 1 2 . 1 1 5 5 PRO CA C 5 64.354 64.354 64.292 0.062 25585 140 1 2 . 1 1 5 5 PRO CB C 5 31.710 31.710 31.747 -0.037 25585 141 1 2 . 1 1 6 6 GLY N N 6 111.865 111.865 109.986 1.879 25585 142 1 2 . 1 1 6 6 GLY CA C 6 45.063 45.063 45.534 -0.471 25585 143 1 2 . 1 1 6 6 GLY H H 6 8.948 8.948 8.577 0.371 25585 144 1 2 . 1 1 7 7 TYR N N 7 120.136 120.136 119.820 0.316 25585 145 1 2 . 1 1 7 7 TYR HA H 7 5.057 5.057 4.992 0.065 25585 146 1 2 . 1 1 7 7 TYR CA C 7 56.393 56.393 56.523 -0.130 25585 147 1 2 . 1 1 7 7 TYR CB C 7 41.345 41.345 41.925 -0.580 25585 148 1 2 . 1 1 7 7 TYR H H 7 8.300 8.300 7.619 0.681 25585 149 1 2 . 1 1 8 8 ALA N N 8 121.599 121.599 123.030 -1.431 25585 150 1 2 . 1 1 8 8 ALA HA H 8 4.686 4.686 4.679 0.007 25585 151 1 2 . 1 1 8 8 ALA CA C 8 50.942 50.942 50.577 0.365 25585 152 1 2 . 1 1 8 8 ALA CB C 8 22.157 22.157 22.026 0.131 25585 153 1 2 . 1 1 8 8 ALA H H 8 9.286 9.286 8.958 0.328 25585 154 1 2 . 1 1 9 9 TYR N N 9 124.797 124.797 124.988 -0.191 25585 155 1 2 . 1 1 9 9 TYR HA H 9 4.338 4.338 4.217 0.121 25585 156 1 2 . 1 1 9 9 TYR CA C 9 59.315 59.315 58.198 1.117 25585 157 1 2 . 1 1 9 9 TYR CB C 9 38.798 38.798 38.107 0.691 25585 158 1 2 . 1 1 9 9 TYR H H 9 9.112 9.112 8.728 0.384 25585 159 1 2 . 1 1 10 10 ASN N N 10 128.087 128.087 125.983 2.104 25585 160 1 2 . 1 1 10 10 ASN HA H 10 5.079 5.079 4.881 0.198 25585 161 1 2 . 1 1 10 10 ASN CA C 10 49.172 49.172 49.506 -0.334 25585 162 1 2 . 1 1 10 10 ASN CB C 10 38.824 38.824 40.343 -1.518 25585 163 1 2 . 1 1 10 10 ASN H H 10 8.210 8.210 8.534 -0.324 25585 164 1 2 . 1 1 11 11 PRO HA H 11 4.065 4.065 4.392 -0.327 25585 165 1 2 . 1 1 11 11 PRO CA C 11 63.988 63.988 64.207 -0.219 25585 166 1 2 . 1 1 11 11 PRO CB C 11 32.043 32.043 31.627 0.416 25585 167 1 2 . 1 1 12 12 VAL N N 12 119.341 119.341 116.118 3.223 25585 168 1 2 . 1 1 12 12 VAL HA H 12 3.758 3.758 4.095 -0.337 25585 169 1 2 . 1 1 12 12 VAL CA C 12 65.103 65.103 63.384 1.719 25585 170 1 2 . 1 1 12 12 VAL CB C 12 31.723 31.723 31.834 -0.111 25585 171 1 2 . 1 1 12 12 VAL H H 12 7.570 7.570 7.527 0.043 25585 172 1 2 . 1 1 13 13 LEU N N 13 116.412 116.412 120.139 -3.727 25585 173 1 2 . 1 1 13 13 LEU HA H 13 4.289 4.289 4.744 -0.455 25585 174 1 2 . 1 1 13 13 LEU CA C 13 55.820 55.820 55.238 0.582 25585 175 1 2 . 1 1 13 13 LEU CB C 13 43.984 43.984 44.450 -0.466 25585 176 1 2 . 1 1 13 13 LEU H H 13 6.902 6.902 7.519 -0.617 25585 177 1 2 . 1 1 14 14 GLY N N 14 108.651 108.651 107.435 1.216 25585 178 1 2 . 1 1 14 14 GLY CA C 14 46.243 46.243 45.047 1.196 25585 179 1 2 . 1 1 14 14 GLY H H 14 8.387 8.387 8.549 -0.162 25585 180 1 2 . 1 1 15 15 ILE N N 15 109.703 109.703 113.655 -3.952 25585 181 1 2 . 1 1 15 15 ILE HA H 15 4.829 4.829 4.740 0.089 25585 182 1 2 . 1 1 15 15 ILE CA C 15 58.677 58.677 58.932 -0.255 25585 183 1 2 . 1 1 15 15 ILE CB C 15 43.373 43.373 40.299 3.074 25585 184 1 2 . 1 1 15 15 ILE H H 15 6.727 6.727 7.414 -0.687 25585 185 1 2 . 1 1 16 16 CYS N N 16 120.648 120.648 120.211 0.437 25585 186 1 2 . 1 1 16 16 CYS HA H 16 5.192 5.192 5.294 -0.102 25585 187 1 2 . 1 1 16 16 CYS CA C 16 55.993 55.993 58.830 -2.837 25585 188 1 2 . 1 1 16 16 CYS CB C 16 43.124 43.124 27.167 15.957 25585 189 1 2 . 1 1 16 16 CYS H H 16 8.811 8.811 8.709 0.102 25585 190 1 2 . 1 1 17 17 THR N N 17 116.440 116.440 114.964 1.476 25585 191 1 2 . 1 1 17 17 THR HA H 17 4.859 4.859 4.844 0.015 25585 192 1 2 . 1 1 17 17 THR CB C 17 69.862 69.862 71.725 -1.863 25585 193 1 2 . 1 1 17 17 THR H H 17 9.357 9.357 8.890 0.467 25585 194 1 2 . 1 1 18 18 ILE N N 18 124.956 124.956 123.787 1.169 25585 195 1 2 . 1 1 18 18 ILE HA H 18 3.392 3.392 3.202 0.190 25585 196 1 2 . 1 1 18 18 ILE CA C 18 62.208 62.208 61.390 0.818 25585 197 1 2 . 1 1 18 18 ILE CB C 18 38.935 38.935 38.346 0.590 25585 198 1 2 . 1 1 18 18 ILE H H 18 8.493 8.493 8.361 0.132 25585 199 1 2 . 1 1 19 19 THR N N 19 119.997 119.997 122.457 -2.460 25585 200 1 2 . 1 1 19 19 THR HA H 19 4.331 4.331 4.303 0.028 25585 201 1 2 . 1 1 19 19 THR CA C 19 61.222 61.222 60.631 0.591 25585 202 1 2 . 1 1 19 19 THR CB C 19 69.839 69.839 70.211 -0.372 25585 203 1 2 . 1 1 19 19 THR H H 19 8.060 8.060 7.978 0.082 25585 204 1 2 . 1 1 20 20 LEU N N 20 125.150 125.150 128.004 -2.854 25585 205 1 2 . 1 1 20 20 LEU HA H 20 4.287 4.287 3.986 0.301 25585 206 1 2 . 1 1 20 20 LEU CA C 20 56.119 56.119 57.245 -1.126 25585 207 1 2 . 1 1 20 20 LEU CB C 20 42.079 42.079 41.776 0.303 25585 208 1 2 . 1 1 20 20 LEU H H 20 8.354 8.354 8.654 -0.300 25585 209 1 2 . 1 1 21 21 SER N N 21 115.796 115.796 113.583 2.213 25585 210 1 2 . 1 1 21 21 SER HA H 21 4.350 4.350 4.151 0.199 25585 211 1 2 . 1 1 21 21 SER CA C 21 58.899 58.899 60.824 -1.925 25585 212 1 2 . 1 1 21 21 SER CB C 21 63.363 63.363 62.679 0.684 25585 213 1 2 . 1 1 21 21 SER H H 21 8.274 8.274 7.609 0.665 25585 214 1 2 . 1 1 22 22 ARG N N 22 122.561 122.561 120.924 1.637 25585 215 1 2 . 1 1 22 22 ARG HA H 22 4.289 4.289 4.077 0.212 25585 216 1 2 . 1 1 22 22 ARG CA C 22 54.946 54.946 58.499 -3.553 25585 217 1 2 . 1 1 22 22 ARG CB C 22 30.369 30.369 30.143 0.226 25585 218 1 2 . 1 1 22 22 ARG H H 22 8.149 8.149 7.566 0.583 25585 219 1 2 . 1 1 23 23 ILE N N 23 121.335 121.335 118.718 2.617 25585 220 1 2 . 1 1 23 23 ILE HA H 23 4.001 4.001 3.985 0.016 25585 221 1 2 . 1 1 23 23 ILE CA C 23 61.671 61.671 62.959 -1.288 25585 222 1 2 . 1 1 23 23 ILE CB C 23 38.383 38.383 37.888 0.495 25585 223 1 2 . 1 1 23 23 ILE H H 23 8.002 8.002 7.388 0.614 25585 224 1 2 . 1 1 24 24 GLU N N 24 122.372 122.372 117.668 4.704 25585 225 1 2 . 1 1 24 24 GLU HA H 24 4.209 4.209 4.445 -0.236 25585 226 1 2 . 1 1 24 24 GLU CA C 24 56.115 56.115 56.161 -0.046 25585 227 1 2 . 1 1 24 24 GLU CB C 24 29.306 29.306 29.868 -0.562 25585 228 1 2 . 1 1 24 24 GLU H H 24 8.317 8.317 8.620 -0.303 25585 229 1 2 . 1 1 25 25 HIS N N 25 118.365 118.365 119.891 -1.526 25585 230 1 2 . 1 1 25 25 HIS HA H 25 5.022 5.022 5.035 -0.013 25585 231 1 2 . 1 1 25 25 HIS CA C 25 52.772 52.772 54.124 -1.352 25585 232 1 2 . 1 1 25 25 HIS CB C 25 28.551 28.551 30.808 -2.257 25585 233 1 2 . 1 1 25 25 HIS H H 25 8.323 8.323 8.292 0.031 25585 234 1 2 . 1 1 26 26 PRO HA H 26 4.468 4.468 4.411 0.057 25585 235 1 2 . 1 1 26 26 PRO CA C 26 63.834 63.834 64.657 -0.824 25585 236 1 2 . 1 1 26 26 PRO CB C 26 31.936 31.936 32.031 -0.095 25585 237 1 2 . 1 1 27 27 GLY N N 27 108.880 108.880 106.580 2.300 25585 238 1 2 . 1 1 27 27 GLY CA C 27 45.212 45.212 46.776 -1.565 25585 239 1 2 . 1 1 27 27 GLY H H 27 8.594 8.594 8.685 -0.091 25585 240 1 2 . 1 1 28 28 ASN N N 28 118.144 118.144 119.854 -1.710 25585 241 1 2 . 1 1 28 28 ASN HA H 28 4.665 4.665 4.345 0.320 25585 242 1 2 . 1 1 28 28 ASN CA C 28 52.967 52.967 55.486 -2.519 25585 243 1 2 . 1 1 28 28 ASN CB C 28 38.579 38.579 38.727 -0.148 25585 244 1 2 . 1 1 28 28 ASN H H 28 8.154 8.154 8.452 -0.298 25585 245 1 2 . 1 1 29 29 TYR N N 29 119.962 119.962 117.064 2.898 25585 246 1 2 . 1 1 29 29 TYR HA H 29 4.520 4.520 4.763 -0.243 25585 247 1 2 . 1 1 29 29 TYR CA C 29 57.544 57.544 56.930 0.614 25585 248 1 2 . 1 1 29 29 TYR CB C 29 39.011 39.011 37.337 1.674 25585 249 1 2 . 1 1 29 29 TYR H H 29 8.058 8.058 7.771 0.287 25585 250 1 2 . 1 1 30 30 ASP N N 30 120.874 120.874 121.920 -1.046 25585 251 1 2 . 1 1 30 30 ASP HA H 30 4.679 4.679 4.477 0.202 25585 252 1 2 . 1 1 30 30 ASP CA C 30 52.827 52.827 55.605 -2.778 25585 253 1 2 . 1 1 30 30 ASP CB C 30 38.567 38.567 41.208 -2.641 25585 254 1 2 . 1 1 30 30 ASP H H 30 8.226 8.226 8.611 -0.385 25585 255 1 3 . 1 1 3 3 CYS N N 3 120.614 120.614 123.813 -3.199 25585 256 1 3 . 1 1 3 3 CYS HA H 3 4.799 4.799 4.537 0.262 25585 257 1 3 . 1 1 3 3 CYS CA C 3 51.792 51.792 57.178 -5.386 25585 258 1 3 . 1 1 3 3 CYS CB C 3 42.170 42.170 30.226 11.944 25585 259 1 3 . 1 1 3 3 CYS H H 3 7.958 7.958 7.583 0.375 25585 260 1 3 . 1 1 4 4 GLN N N 4 121.450 121.450 120.649 0.801 25585 261 1 3 . 1 1 4 4 GLN HA H 4 4.180 4.180 4.160 0.020 25585 262 1 3 . 1 1 4 4 GLN CA C 4 54.557 54.557 52.945 1.612 25585 263 1 3 . 1 1 4 4 GLN CB C 4 27.191 27.191 28.446 -1.255 25585 264 1 3 . 1 1 4 4 GLN H H 4 8.737 8.737 8.144 0.593 25585 265 1 3 . 1 1 5 5 PRO HA H 5 4.409 4.409 4.313 0.096 25585 266 1 3 . 1 1 5 5 PRO CA C 5 64.354 64.354 64.450 -0.096 25585 267 1 3 . 1 1 5 5 PRO CB C 5 31.710 31.710 31.489 0.221 25585 268 1 3 . 1 1 6 6 GLY N N 6 111.865 111.865 110.589 1.276 25585 269 1 3 . 1 1 6 6 GLY CA C 6 45.063 45.063 45.604 -0.541 25585 270 1 3 . 1 1 6 6 GLY H H 6 8.948 8.948 8.706 0.242 25585 271 1 3 . 1 1 7 7 TYR N N 7 120.136 120.136 119.515 0.621 25585 272 1 3 . 1 1 7 7 TYR HA H 7 5.057 5.057 5.048 0.009 25585 273 1 3 . 1 1 7 7 TYR CA C 7 56.393 56.393 56.509 -0.116 25585 274 1 3 . 1 1 7 7 TYR CB C 7 41.345 41.345 42.184 -0.838 25585 275 1 3 . 1 1 7 7 TYR H H 7 8.300 8.300 7.667 0.633 25585 276 1 3 . 1 1 8 8 ALA N N 8 121.599 121.599 123.027 -1.428 25585 277 1 3 . 1 1 8 8 ALA HA H 8 4.686 4.686 4.702 -0.016 25585 278 1 3 . 1 1 8 8 ALA CA C 8 50.942 50.942 50.676 0.266 25585 279 1 3 . 1 1 8 8 ALA CB C 8 22.157 22.157 22.154 0.003 25585 280 1 3 . 1 1 8 8 ALA H H 8 9.286 9.286 8.827 0.459 25585 281 1 3 . 1 1 9 9 TYR N N 9 124.797 124.797 124.394 0.403 25585 282 1 3 . 1 1 9 9 TYR HA H 9 4.338 4.338 4.232 0.106 25585 283 1 3 . 1 1 9 9 TYR CA C 9 59.315 59.315 58.457 0.858 25585 284 1 3 . 1 1 9 9 TYR CB C 9 38.798 38.798 38.237 0.561 25585 285 1 3 . 1 1 9 9 TYR H H 9 9.112 9.112 8.722 0.390 25585 286 1 3 . 1 1 10 10 ASN N N 10 128.087 128.087 125.703 2.384 25585 287 1 3 . 1 1 10 10 ASN HA H 10 5.079 5.079 4.931 0.148 25585 288 1 3 . 1 1 10 10 ASN CA C 10 49.172 49.172 49.523 -0.351 25585 289 1 3 . 1 1 10 10 ASN CB C 10 38.824 38.824 40.086 -1.262 25585 290 1 3 . 1 1 10 10 ASN H H 10 8.210 8.210 8.422 -0.212 25585 291 1 3 . 1 1 11 11 PRO HA H 11 4.065 4.065 4.150 -0.085 25585 292 1 3 . 1 1 11 11 PRO CA C 11 63.988 63.988 64.306 -0.318 25585 293 1 3 . 1 1 11 11 PRO CB C 11 32.043 32.043 31.541 0.502 25585 294 1 3 . 1 1 12 12 VAL N N 12 119.341 119.341 115.400 3.941 25585 295 1 3 . 1 1 12 12 VAL HA H 12 3.758 3.758 4.082 -0.324 25585 296 1 3 . 1 1 12 12 VAL CA C 12 65.103 65.103 63.491 1.612 25585 297 1 3 . 1 1 12 12 VAL CB C 12 31.723 31.723 31.913 -0.190 25585 298 1 3 . 1 1 12 12 VAL H H 12 7.570 7.570 7.493 0.077 25585 299 1 3 . 1 1 13 13 LEU N N 13 116.412 116.412 120.013 -3.601 25585 300 1 3 . 1 1 13 13 LEU HA H 13 4.289 4.289 4.758 -0.469 25585 301 1 3 . 1 1 13 13 LEU CA C 13 55.820 55.820 55.189 0.631 25585 302 1 3 . 1 1 13 13 LEU CB C 13 43.984 43.984 44.553 -0.569 25585 303 1 3 . 1 1 13 13 LEU H H 13 6.902 6.902 7.726 -0.824 25585 304 1 3 . 1 1 14 14 GLY N N 14 108.651 108.651 107.160 1.491 25585 305 1 3 . 1 1 14 14 GLY CA C 14 46.243 46.243 45.141 1.102 25585 306 1 3 . 1 1 14 14 GLY H H 14 8.387 8.387 8.595 -0.208 25585 307 1 3 . 1 1 15 15 ILE N N 15 109.703 109.703 113.899 -4.196 25585 308 1 3 . 1 1 15 15 ILE HA H 15 4.829 4.829 4.789 0.040 25585 309 1 3 . 1 1 15 15 ILE CA C 15 58.677 58.677 58.954 -0.277 25585 310 1 3 . 1 1 15 15 ILE CB C 15 43.373 43.373 40.360 3.013 25585 311 1 3 . 1 1 15 15 ILE H H 15 6.727 6.727 7.333 -0.606 25585 312 1 3 . 1 1 16 16 CYS N N 16 120.648 120.648 119.690 0.958 25585 313 1 3 . 1 1 16 16 CYS HA H 16 5.192 5.192 5.248 -0.056 25585 314 1 3 . 1 1 16 16 CYS CA C 16 55.993 55.993 58.708 -2.715 25585 315 1 3 . 1 1 16 16 CYS CB C 16 43.124 43.124 27.154 15.970 25585 316 1 3 . 1 1 16 16 CYS H H 16 8.811 8.811 8.723 0.088 25585 317 1 3 . 1 1 17 17 THR N N 17 116.440 116.440 114.835 1.605 25585 318 1 3 . 1 1 17 17 THR HA H 17 4.859 4.859 4.922 -0.063 25585 319 1 3 . 1 1 17 17 THR CB C 17 69.862 69.862 72.001 -2.139 25585 320 1 3 . 1 1 17 17 THR H H 17 9.357 9.357 8.924 0.433 25585 321 1 3 . 1 1 18 18 ILE N N 18 124.956 124.956 123.977 0.979 25585 322 1 3 . 1 1 18 18 ILE HA H 18 3.392 3.392 3.104 0.288 25585 323 1 3 . 1 1 18 18 ILE CA C 18 62.208 62.208 62.087 0.121 25585 324 1 3 . 1 1 18 18 ILE CB C 18 38.935 38.935 38.391 0.544 25585 325 1 3 . 1 1 18 18 ILE H H 18 8.493 8.493 8.451 0.042 25585 326 1 3 . 1 1 19 19 THR N N 19 119.997 119.997 122.544 -2.547 25585 327 1 3 . 1 1 19 19 THR HA H 19 4.331 4.331 4.523 -0.192 25585 328 1 3 . 1 1 19 19 THR CA C 19 61.222 61.222 59.855 1.367 25585 329 1 3 . 1 1 19 19 THR CB C 19 69.839 69.839 70.556 -0.717 25585 330 1 3 . 1 1 19 19 THR H H 19 8.060 8.060 8.238 -0.178 25585 331 1 3 . 1 1 20 20 LEU N N 20 125.150 125.150 124.658 0.492 25585 332 1 3 . 1 1 20 20 LEU HA H 20 4.287 4.287 4.174 0.113 25585 333 1 3 . 1 1 20 20 LEU CA C 20 56.119 56.119 57.258 -1.139 25585 334 1 3 . 1 1 20 20 LEU CB C 20 42.079 42.079 42.038 0.041 25585 335 1 3 . 1 1 20 20 LEU H H 20 8.354 8.354 8.584 -0.230 25585 336 1 3 . 1 1 21 21 SER N N 21 115.796 115.796 115.100 0.696 25585 337 1 3 . 1 1 21 21 SER HA H 21 4.350 4.350 4.169 0.181 25585 338 1 3 . 1 1 21 21 SER CA C 21 58.899 58.899 61.587 -2.688 25585 339 1 3 . 1 1 21 21 SER CB C 21 63.363 63.363 62.754 0.609 25585 340 1 3 . 1 1 21 21 SER H H 21 8.274 8.274 8.023 0.251 25585 341 1 3 . 1 1 22 22 ARG N N 22 122.561 122.561 121.308 1.253 25585 342 1 3 . 1 1 22 22 ARG HA H 22 4.289 4.289 4.027 0.262 25585 343 1 3 . 1 1 22 22 ARG CA C 22 54.946 54.946 58.635 -3.689 25585 344 1 3 . 1 1 22 22 ARG CB C 22 30.369 30.369 30.010 0.359 25585 345 1 3 . 1 1 22 22 ARG H H 22 8.149 8.149 7.496 0.653 25585 346 1 3 . 1 1 23 23 ILE N N 23 121.335 121.335 119.648 1.687 25585 347 1 3 . 1 1 23 23 ILE HA H 23 4.001 4.001 3.828 0.173 25585 348 1 3 . 1 1 23 23 ILE CA C 23 61.671 61.671 63.841 -2.170 25585 349 1 3 . 1 1 23 23 ILE CB C 23 38.383 38.383 37.704 0.679 25585 350 1 3 . 1 1 23 23 ILE H H 23 8.002 8.002 8.352 -0.350 25585 351 1 3 . 1 1 24 24 GLU N N 24 122.372 122.372 113.747 8.625 25585 352 1 3 . 1 1 24 24 GLU HA H 24 4.209 4.209 4.328 -0.119 25585 353 1 3 . 1 1 24 24 GLU CA C 24 56.115 56.115 55.629 0.486 25585 354 1 3 . 1 1 24 24 GLU CB C 24 29.306 29.306 30.642 -1.336 25585 355 1 3 . 1 1 24 24 GLU H H 24 8.317 8.317 8.483 -0.166 25585 356 1 3 . 1 1 25 25 HIS N N 25 118.365 118.365 118.909 -0.544 25585 357 1 3 . 1 1 25 25 HIS HA H 25 5.022 5.022 4.890 0.132 25585 358 1 3 . 1 1 25 25 HIS CA C 25 52.772 52.772 53.797 -1.024 25585 359 1 3 . 1 1 25 25 HIS CB C 25 28.551 28.551 29.379 -0.828 25585 360 1 3 . 1 1 25 25 HIS H H 25 8.323 8.323 7.678 0.645 25585 361 1 3 . 1 1 26 26 PRO HA H 26 4.468 4.468 4.435 0.033 25585 362 1 3 . 1 1 26 26 PRO CA C 26 63.834 63.834 64.192 -0.358 25585 363 1 3 . 1 1 26 26 PRO CB C 26 31.936 31.936 31.920 0.016 25585 364 1 3 . 1 1 27 27 GLY N N 27 108.880 108.880 106.289 2.591 25585 365 1 3 . 1 1 27 27 GLY CA C 27 45.212 45.212 44.973 0.239 25585 366 1 3 . 1 1 27 27 GLY H H 27 8.594 8.594 8.366 0.228 25585 367 1 3 . 1 1 28 28 ASN N N 28 118.144 118.144 118.519 -0.375 25585 368 1 3 . 1 1 28 28 ASN HA H 28 4.665 4.665 4.182 0.483 25585 369 1 3 . 1 1 28 28 ASN CA C 28 52.967 52.967 53.755 -0.788 25585 370 1 3 . 1 1 28 28 ASN CB C 28 38.579 38.579 37.659 0.920 25585 371 1 3 . 1 1 28 28 ASN H H 28 8.154 8.154 7.674 0.480 25585 372 1 3 . 1 1 29 29 TYR N N 29 119.962 119.962 113.514 6.448 25585 373 1 3 . 1 1 29 29 TYR HA H 29 4.520 4.520 4.238 0.282 25585 374 1 3 . 1 1 29 29 TYR CA C 29 57.544 57.544 58.840 -1.296 25585 375 1 3 . 1 1 29 29 TYR CB C 29 39.011 39.011 36.381 2.630 25585 376 1 3 . 1 1 29 29 TYR H H 29 8.058 8.058 7.836 0.222 25585 377 1 3 . 1 1 30 30 ASP N N 30 120.874 120.874 116.648 4.226 25585 378 1 3 . 1 1 30 30 ASP HA H 30 4.679 4.679 4.297 0.382 25585 379 1 3 . 1 1 30 30 ASP CA C 30 52.827 52.827 55.696 -2.869 25585 380 1 3 . 1 1 30 30 ASP CB C 30 38.567 38.567 40.132 -1.565 25585 381 1 3 . 1 1 30 30 ASP H H 30 8.226 8.226 7.934 0.292 25585 382 1 4 . 1 1 3 3 CYS N N 3 120.614 120.614 124.102 -3.488 25585 383 1 4 . 1 1 3 3 CYS HA H 3 4.799 4.799 4.581 0.218 25585 384 1 4 . 1 1 3 3 CYS CA C 3 51.792 51.792 57.275 -5.483 25585 385 1 4 . 1 1 3 3 CYS CB C 3 42.170 42.170 30.072 12.098 25585 386 1 4 . 1 1 3 3 CYS H H 3 7.958 7.958 7.648 0.310 25585 387 1 4 . 1 1 4 4 GLN N N 4 121.450 121.450 120.923 0.527 25585 388 1 4 . 1 1 4 4 GLN HA H 4 4.180 4.180 4.157 0.023 25585 389 1 4 . 1 1 4 4 GLN CA C 4 54.557 54.557 53.062 1.495 25585 390 1 4 . 1 1 4 4 GLN CB C 4 27.191 27.191 28.409 -1.218 25585 391 1 4 . 1 1 4 4 GLN H H 4 8.737 8.737 8.183 0.554 25585 392 1 4 . 1 1 5 5 PRO HA H 5 4.409 4.409 4.234 0.175 25585 393 1 4 . 1 1 5 5 PRO CA C 5 64.354 64.354 64.329 0.025 25585 394 1 4 . 1 1 5 5 PRO CB C 5 31.710 31.710 31.761 -0.051 25585 395 1 4 . 1 1 6 6 GLY N N 6 111.865 111.865 109.237 2.628 25585 396 1 4 . 1 1 6 6 GLY CA C 6 45.063 45.063 45.317 -0.254 25585 397 1 4 . 1 1 6 6 GLY H H 6 8.948 8.948 8.334 0.614 25585 398 1 4 . 1 1 7 7 TYR N N 7 120.136 120.136 119.389 0.747 25585 399 1 4 . 1 1 7 7 TYR HA H 7 5.057 5.057 5.002 0.055 25585 400 1 4 . 1 1 7 7 TYR CA C 7 56.393 56.393 56.391 0.002 25585 401 1 4 . 1 1 7 7 TYR CB C 7 41.345 41.345 42.189 -0.844 25585 402 1 4 . 1 1 7 7 TYR H H 7 8.300 8.300 7.455 0.845 25585 403 1 4 . 1 1 8 8 ALA N N 8 121.599 121.599 122.759 -1.160 25585 404 1 4 . 1 1 8 8 ALA HA H 8 4.686 4.686 4.750 -0.064 25585 405 1 4 . 1 1 8 8 ALA CA C 8 50.942 50.942 50.720 0.222 25585 406 1 4 . 1 1 8 8 ALA CB C 8 22.157 22.157 22.209 -0.052 25585 407 1 4 . 1 1 8 8 ALA H H 8 9.286 9.286 8.931 0.355 25585 408 1 4 . 1 1 9 9 TYR N N 9 124.797 124.797 124.436 0.361 25585 409 1 4 . 1 1 9 9 TYR HA H 9 4.338 4.338 4.241 0.097 25585 410 1 4 . 1 1 9 9 TYR CA C 9 59.315 59.315 58.541 0.774 25585 411 1 4 . 1 1 9 9 TYR CB C 9 38.798 38.798 38.250 0.548 25585 412 1 4 . 1 1 9 9 TYR H H 9 9.112 9.112 8.748 0.364 25585 413 1 4 . 1 1 10 10 ASN N N 10 128.087 128.087 125.713 2.374 25585 414 1 4 . 1 1 10 10 ASN HA H 10 5.079 5.079 4.935 0.144 25585 415 1 4 . 1 1 10 10 ASN CA C 10 49.172 49.172 49.527 -0.355 25585 416 1 4 . 1 1 10 10 ASN CB C 10 38.824 38.824 40.080 -1.256 25585 417 1 4 . 1 1 10 10 ASN H H 10 8.210 8.210 8.418 -0.208 25585 418 1 4 . 1 1 11 11 PRO HA H 11 4.065 4.065 4.101 -0.036 25585 419 1 4 . 1 1 11 11 PRO CA C 11 63.988 63.988 63.996 -0.008 25585 420 1 4 . 1 1 11 11 PRO CB C 11 32.043 32.043 31.507 0.536 25585 421 1 4 . 1 1 12 12 VAL N N 12 119.341 119.341 115.564 3.777 25585 422 1 4 . 1 1 12 12 VAL HA H 12 3.758 3.758 4.084 -0.326 25585 423 1 4 . 1 1 12 12 VAL CA C 12 65.103 65.103 63.314 1.789 25585 424 1 4 . 1 1 12 12 VAL CB C 12 31.723 31.723 31.633 0.090 25585 425 1 4 . 1 1 12 12 VAL H H 12 7.570 7.570 7.463 0.107 25585 426 1 4 . 1 1 13 13 LEU N N 13 116.412 116.412 120.356 -3.944 25585 427 1 4 . 1 1 13 13 LEU HA H 13 4.289 4.289 4.665 -0.376 25585 428 1 4 . 1 1 13 13 LEU CA C 13 55.820 55.820 55.371 0.449 25585 429 1 4 . 1 1 13 13 LEU CB C 13 43.984 43.984 44.617 -0.633 25585 430 1 4 . 1 1 13 13 LEU H H 13 6.902 6.902 7.673 -0.771 25585 431 1 4 . 1 1 14 14 GLY N N 14 108.651 108.651 106.614 2.037 25585 432 1 4 . 1 1 14 14 GLY CA C 14 46.243 46.243 45.192 1.051 25585 433 1 4 . 1 1 14 14 GLY H H 14 8.387 8.387 8.460 -0.073 25585 434 1 4 . 1 1 15 15 ILE N N 15 109.703 109.703 113.150 -3.447 25585 435 1 4 . 1 1 15 15 ILE HA H 15 4.829 4.829 4.777 0.052 25585 436 1 4 . 1 1 15 15 ILE CA C 15 58.677 58.677 58.721 -0.044 25585 437 1 4 . 1 1 15 15 ILE CB C 15 43.373 43.373 40.314 3.059 25585 438 1 4 . 1 1 15 15 ILE H H 15 6.727 6.727 7.294 -0.567 25585 439 1 4 . 1 1 16 16 CYS N N 16 120.648 120.648 120.421 0.227 25585 440 1 4 . 1 1 16 16 CYS HA H 16 5.192 5.192 5.264 -0.072 25585 441 1 4 . 1 1 16 16 CYS CA C 16 55.993 55.993 58.588 -2.595 25585 442 1 4 . 1 1 16 16 CYS CB C 16 43.124 43.124 27.137 15.987 25585 443 1 4 . 1 1 16 16 CYS H H 16 8.811 8.811 8.658 0.153 25585 444 1 4 . 1 1 17 17 THR N N 17 116.440 116.440 115.327 1.113 25585 445 1 4 . 1 1 17 17 THR HA H 17 4.859 4.859 4.832 0.027 25585 446 1 4 . 1 1 17 17 THR CB C 17 69.862 69.862 71.683 -1.821 25585 447 1 4 . 1 1 17 17 THR H H 17 9.357 9.357 8.919 0.438 25585 448 1 4 . 1 1 18 18 ILE N N 18 124.956 124.956 123.904 1.052 25585 449 1 4 . 1 1 18 18 ILE HA H 18 3.392 3.392 3.106 0.286 25585 450 1 4 . 1 1 18 18 ILE CA C 18 62.208 62.208 61.842 0.366 25585 451 1 4 . 1 1 18 18 ILE CB C 18 38.935 38.935 38.364 0.571 25585 452 1 4 . 1 1 18 18 ILE H H 18 8.493 8.493 8.428 0.065 25585 453 1 4 . 1 1 19 19 THR N N 19 119.997 119.997 122.019 -2.022 25585 454 1 4 . 1 1 19 19 THR HA H 19 4.331 4.331 4.450 -0.119 25585 455 1 4 . 1 1 19 19 THR CA C 19 61.222 61.222 59.552 1.670 25585 456 1 4 . 1 1 19 19 THR CB C 19 69.839 69.839 70.589 -0.750 25585 457 1 4 . 1 1 19 19 THR H H 19 8.060 8.060 7.936 0.124 25585 458 1 4 . 1 1 20 20 LEU N N 20 125.150 125.150 123.923 1.227 25585 459 1 4 . 1 1 20 20 LEU HA H 20 4.287 4.287 4.169 0.118 25585 460 1 4 . 1 1 20 20 LEU CA C 20 56.119 56.119 57.411 -1.292 25585 461 1 4 . 1 1 20 20 LEU CB C 20 42.079 42.079 41.748 0.331 25585 462 1 4 . 1 1 20 20 LEU H H 20 8.354 8.354 8.683 -0.329 25585 463 1 4 . 1 1 21 21 SER N N 21 115.796 115.796 114.415 1.381 25585 464 1 4 . 1 1 21 21 SER HA H 21 4.350 4.350 4.318 0.032 25585 465 1 4 . 1 1 21 21 SER CA C 21 58.899 58.899 60.716 -1.817 25585 466 1 4 . 1 1 21 21 SER CB C 21 63.363 63.363 63.189 0.174 25585 467 1 4 . 1 1 21 21 SER H H 21 8.274 8.274 8.315 -0.041 25585 468 1 4 . 1 1 22 22 ARG N N 22 122.561 122.561 121.247 1.314 25585 469 1 4 . 1 1 22 22 ARG HA H 22 4.289 4.289 3.975 0.314 25585 470 1 4 . 1 1 22 22 ARG CA C 22 54.946 54.946 58.094 -3.148 25585 471 1 4 . 1 1 22 22 ARG CB C 22 30.369 30.369 29.246 1.123 25585 472 1 4 . 1 1 22 22 ARG H H 22 8.149 8.149 7.630 0.519 25585 473 1 4 . 1 1 23 23 ILE N N 23 121.335 121.335 120.984 0.351 25585 474 1 4 . 1 1 23 23 ILE HA H 23 4.001 4.001 3.835 0.166 25585 475 1 4 . 1 1 23 23 ILE CA C 23 61.671 61.671 63.671 -2.000 25585 476 1 4 . 1 1 23 23 ILE CB C 23 38.383 38.383 38.124 0.259 25585 477 1 4 . 1 1 23 23 ILE H H 23 8.002 8.002 7.872 0.130 25585 478 1 4 . 1 1 24 24 GLU N N 24 122.372 122.372 116.116 6.256 25585 479 1 4 . 1 1 24 24 GLU HA H 24 4.209 4.209 4.392 -0.183 25585 480 1 4 . 1 1 24 24 GLU CA C 24 56.115 56.115 55.570 0.545 25585 481 1 4 . 1 1 24 24 GLU CB C 24 29.306 29.306 29.276 0.030 25585 482 1 4 . 1 1 24 24 GLU H H 24 8.317 8.317 8.403 -0.086 25585 483 1 4 . 1 1 25 25 HIS N N 25 118.365 118.365 119.728 -1.363 25585 484 1 4 . 1 1 25 25 HIS HA H 25 5.022 5.022 5.034 -0.012 25585 485 1 4 . 1 1 25 25 HIS CA C 25 52.772 52.772 54.368 -1.596 25585 486 1 4 . 1 1 25 25 HIS CB C 25 28.551 28.551 29.812 -1.261 25585 487 1 4 . 1 1 25 25 HIS H H 25 8.323 8.323 7.929 0.394 25585 488 1 4 . 1 1 26 26 PRO HA H 26 4.468 4.468 4.606 -0.138 25585 489 1 4 . 1 1 26 26 PRO CA C 26 63.834 63.834 64.023 -0.189 25585 490 1 4 . 1 1 26 26 PRO CB C 26 31.936 31.936 31.795 0.141 25585 491 1 4 . 1 1 27 27 GLY N N 27 108.880 108.880 107.776 1.104 25585 492 1 4 . 1 1 27 27 GLY CA C 27 45.212 45.212 46.341 -1.129 25585 493 1 4 . 1 1 27 27 GLY H H 27 8.594 8.594 8.680 -0.086 25585 494 1 4 . 1 1 28 28 ASN N N 28 118.144 118.144 120.525 -2.381 25585 495 1 4 . 1 1 28 28 ASN HA H 28 4.665 4.665 4.521 0.144 25585 496 1 4 . 1 1 28 28 ASN CA C 28 52.967 52.967 55.316 -2.349 25585 497 1 4 . 1 1 28 28 ASN CB C 28 38.579 38.579 38.255 0.324 25585 498 1 4 . 1 1 28 28 ASN H H 28 8.154 8.154 8.024 0.130 25585 499 1 4 . 1 1 29 29 TYR N N 29 119.962 119.962 115.783 4.179 25585 500 1 4 . 1 1 29 29 TYR HA H 29 4.520 4.520 4.676 -0.156 25585 501 1 4 . 1 1 29 29 TYR CA C 29 57.544 57.544 56.574 0.970 25585 502 1 4 . 1 1 29 29 TYR CB C 29 39.011 39.011 38.195 0.816 25585 503 1 4 . 1 1 29 29 TYR H H 29 8.058 8.058 7.906 0.152 25585 504 1 4 . 1 1 30 30 ASP N N 30 120.874 120.874 122.556 -1.682 25585 505 1 4 . 1 1 30 30 ASP HA H 30 4.679 4.679 4.684 -0.005 25585 506 1 4 . 1 1 30 30 ASP CA C 30 52.827 52.827 53.697 -0.870 25585 507 1 4 . 1 1 30 30 ASP CB C 30 38.567 38.567 39.613 -1.046 25585 508 1 4 . 1 1 30 30 ASP H H 30 8.226 8.226 7.657 0.569 25585 509 1 5 . 1 1 3 3 CYS N N 3 120.614 120.614 123.933 -3.319 25585 510 1 5 . 1 1 3 3 CYS HA H 3 4.799 4.799 4.527 0.272 25585 511 1 5 . 1 1 3 3 CYS CA C 3 51.792 51.792 57.224 -5.432 25585 512 1 5 . 1 1 3 3 CYS CB C 3 42.170 42.170 30.078 12.092 25585 513 1 5 . 1 1 3 3 CYS H H 3 7.958 7.958 7.669 0.289 25585 514 1 5 . 1 1 4 4 GLN N N 4 121.450 121.450 121.492 -0.042 25585 515 1 5 . 1 1 4 4 GLN HA H 4 4.180 4.180 4.053 0.127 25585 516 1 5 . 1 1 4 4 GLN CA C 4 54.557 54.557 53.457 1.100 25585 517 1 5 . 1 1 4 4 GLN CB C 4 27.191 27.191 28.169 -0.979 25585 518 1 5 . 1 1 4 4 GLN H H 4 8.737 8.737 8.183 0.554 25585 519 1 5 . 1 1 5 5 PRO HA H 5 4.409 4.409 4.366 0.043 25585 520 1 5 . 1 1 5 5 PRO CA C 5 64.354 64.354 64.197 0.157 25585 521 1 5 . 1 1 5 5 PRO CB C 5 31.710 31.710 31.979 -0.269 25585 522 1 5 . 1 1 6 6 GLY N N 6 111.865 111.865 110.000 1.865 25585 523 1 5 . 1 1 6 6 GLY CA C 6 45.063 45.063 45.281 -0.218 25585 524 1 5 . 1 1 6 6 GLY H H 6 8.948 8.948 8.659 0.289 25585 525 1 5 . 1 1 7 7 TYR N N 7 120.136 120.136 119.774 0.362 25585 526 1 5 . 1 1 7 7 TYR HA H 7 5.057 5.057 4.983 0.074 25585 527 1 5 . 1 1 7 7 TYR CA C 7 56.393 56.393 56.541 -0.147 25585 528 1 5 . 1 1 7 7 TYR CB C 7 41.345 41.345 41.912 -0.567 25585 529 1 5 . 1 1 7 7 TYR H H 7 8.300 8.300 7.581 0.719 25585 530 1 5 . 1 1 8 8 ALA N N 8 121.599 121.599 122.667 -1.068 25585 531 1 5 . 1 1 8 8 ALA HA H 8 4.686 4.686 4.708 -0.022 25585 532 1 5 . 1 1 8 8 ALA CA C 8 50.942 50.942 50.629 0.313 25585 533 1 5 . 1 1 8 8 ALA CB C 8 22.157 22.157 22.153 0.004 25585 534 1 5 . 1 1 8 8 ALA H H 8 9.286 9.286 8.946 0.340 25585 535 1 5 . 1 1 9 9 TYR N N 9 124.797 124.797 124.352 0.445 25585 536 1 5 . 1 1 9 9 TYR HA H 9 4.338 4.338 4.258 0.080 25585 537 1 5 . 1 1 9 9 TYR CA C 9 59.315 59.315 58.413 0.902 25585 538 1 5 . 1 1 9 9 TYR CB C 9 38.798 38.798 38.303 0.495 25585 539 1 5 . 1 1 9 9 TYR H H 9 9.112 9.112 8.728 0.384 25585 540 1 5 . 1 1 10 10 ASN N N 10 128.087 128.087 125.699 2.388 25585 541 1 5 . 1 1 10 10 ASN HA H 10 5.079 5.079 4.936 0.143 25585 542 1 5 . 1 1 10 10 ASN CA C 10 49.172 49.172 49.520 -0.348 25585 543 1 5 . 1 1 10 10 ASN CB C 10 38.824 38.824 40.075 -1.251 25585 544 1 5 . 1 1 10 10 ASN H H 10 8.210 8.210 8.381 -0.171 25585 545 1 5 . 1 1 11 11 PRO HA H 11 4.065 4.065 4.116 -0.051 25585 546 1 5 . 1 1 11 11 PRO CA C 11 63.988 63.988 64.121 -0.133 25585 547 1 5 . 1 1 11 11 PRO CB C 11 32.043 32.043 31.550 0.493 25585 548 1 5 . 1 1 12 12 VAL N N 12 119.341 119.341 115.206 4.135 25585 549 1 5 . 1 1 12 12 VAL HA H 12 3.758 3.758 4.039 -0.281 25585 550 1 5 . 1 1 12 12 VAL CA C 12 65.103 65.103 63.252 1.851 25585 551 1 5 . 1 1 12 12 VAL CB C 12 31.723 31.723 32.063 -0.340 25585 552 1 5 . 1 1 12 12 VAL H H 12 7.570 7.570 7.526 0.044 25585 553 1 5 . 1 1 13 13 LEU N N 13 116.412 116.412 120.218 -3.806 25585 554 1 5 . 1 1 13 13 LEU HA H 13 4.289 4.289 4.719 -0.430 25585 555 1 5 . 1 1 13 13 LEU CA C 13 55.820 55.820 55.292 0.528 25585 556 1 5 . 1 1 13 13 LEU CB C 13 43.984 43.984 44.685 -0.701 25585 557 1 5 . 1 1 13 13 LEU H H 13 6.902 6.902 7.696 -0.794 25585 558 1 5 . 1 1 14 14 GLY N N 14 108.651 108.651 106.750 1.901 25585 559 1 5 . 1 1 14 14 GLY CA C 14 46.243 46.243 45.200 1.042 25585 560 1 5 . 1 1 14 14 GLY H H 14 8.387 8.387 8.438 -0.051 25585 561 1 5 . 1 1 15 15 ILE N N 15 109.703 109.703 113.109 -3.406 25585 562 1 5 . 1 1 15 15 ILE HA H 15 4.829 4.829 4.776 0.053 25585 563 1 5 . 1 1 15 15 ILE CA C 15 58.677 58.677 58.698 -0.021 25585 564 1 5 . 1 1 15 15 ILE CB C 15 43.373 43.373 40.403 2.970 25585 565 1 5 . 1 1 15 15 ILE H H 15 6.727 6.727 7.294 -0.567 25585 566 1 5 . 1 1 16 16 CYS N N 16 120.648 120.648 120.236 0.412 25585 567 1 5 . 1 1 16 16 CYS HA H 16 5.192 5.192 5.351 -0.159 25585 568 1 5 . 1 1 16 16 CYS CA C 16 55.993 55.993 58.401 -2.408 25585 569 1 5 . 1 1 16 16 CYS CB C 16 43.124 43.124 27.033 16.091 25585 570 1 5 . 1 1 16 16 CYS H H 16 8.811 8.811 8.683 0.128 25585 571 1 5 . 1 1 17 17 THR N N 17 116.440 116.440 114.501 1.939 25585 572 1 5 . 1 1 17 17 THR HA H 17 4.859 4.859 4.816 0.043 25585 573 1 5 . 1 1 17 17 THR CB C 17 69.862 69.862 70.965 -1.103 25585 574 1 5 . 1 1 17 17 THR H H 17 9.357 9.357 9.099 0.258 25585 575 1 5 . 1 1 18 18 ILE N N 18 124.956 124.956 123.162 1.794 25585 576 1 5 . 1 1 18 18 ILE HA H 18 3.392 3.392 3.014 0.378 25585 577 1 5 . 1 1 18 18 ILE CA C 18 62.208 62.208 61.638 0.570 25585 578 1 5 . 1 1 18 18 ILE CB C 18 38.935 38.935 38.528 0.407 25585 579 1 5 . 1 1 18 18 ILE H H 18 8.493 8.493 8.271 0.222 25585 580 1 5 . 1 1 19 19 THR N N 19 119.997 119.997 121.915 -1.918 25585 581 1 5 . 1 1 19 19 THR HA H 19 4.331 4.331 4.430 -0.099 25585 582 1 5 . 1 1 19 19 THR CA C 19 61.222 61.222 60.385 0.837 25585 583 1 5 . 1 1 19 19 THR CB C 19 69.839 69.839 70.554 -0.715 25585 584 1 5 . 1 1 19 19 THR H H 19 8.060 8.060 7.837 0.223 25585 585 1 5 . 1 1 20 20 LEU N N 20 125.150 125.150 128.098 -2.948 25585 586 1 5 . 1 1 20 20 LEU HA H 20 4.287 4.287 4.116 0.171 25585 587 1 5 . 1 1 20 20 LEU CA C 20 56.119 56.119 57.426 -1.308 25585 588 1 5 . 1 1 20 20 LEU CB C 20 42.079 42.079 42.030 0.049 25585 589 1 5 . 1 1 20 20 LEU H H 20 8.354 8.354 8.833 -0.479 25585 590 1 5 . 1 1 21 21 SER N N 21 115.796 115.796 114.716 1.080 25585 591 1 5 . 1 1 21 21 SER HA H 21 4.350 4.350 4.302 0.048 25585 592 1 5 . 1 1 21 21 SER CA C 21 58.899 58.899 60.976 -2.077 25585 593 1 5 . 1 1 21 21 SER CB C 21 63.363 63.363 62.699 0.664 25585 594 1 5 . 1 1 21 21 SER H H 21 8.274 8.274 8.139 0.135 25585 595 1 5 . 1 1 22 22 ARG N N 22 122.561 122.561 121.655 0.906 25585 596 1 5 . 1 1 22 22 ARG HA H 22 4.289 4.289 4.025 0.264 25585 597 1 5 . 1 1 22 22 ARG CA C 22 54.946 54.946 58.646 -3.700 25585 598 1 5 . 1 1 22 22 ARG CB C 22 30.369 30.369 30.122 0.247 25585 599 1 5 . 1 1 22 22 ARG H H 22 8.149 8.149 7.629 0.520 25585 600 1 5 . 1 1 23 23 ILE N N 23 121.335 121.335 118.887 2.448 25585 601 1 5 . 1 1 23 23 ILE HA H 23 4.001 4.001 3.813 0.188 25585 602 1 5 . 1 1 23 23 ILE CA C 23 61.671 61.671 63.728 -2.057 25585 603 1 5 . 1 1 23 23 ILE CB C 23 38.383 38.383 37.614 0.769 25585 604 1 5 . 1 1 23 23 ILE H H 23 8.002 8.002 7.588 0.414 25585 605 1 5 . 1 1 24 24 GLU N N 24 122.372 122.372 113.581 8.791 25585 606 1 5 . 1 1 24 24 GLU HA H 24 4.209 4.209 4.368 -0.159 25585 607 1 5 . 1 1 24 24 GLU CA C 24 56.115 56.115 55.490 0.625 25585 608 1 5 . 1 1 24 24 GLU CB C 24 29.306 29.306 30.976 -1.670 25585 609 1 5 . 1 1 24 24 GLU H H 24 8.317 8.317 8.480 -0.163 25585 610 1 5 . 1 1 25 25 HIS N N 25 118.365 118.365 118.905 -0.540 25585 611 1 5 . 1 1 25 25 HIS HA H 25 5.022 5.022 4.884 0.138 25585 612 1 5 . 1 1 25 25 HIS CA C 25 52.772 52.772 53.814 -1.042 25585 613 1 5 . 1 1 25 25 HIS CB C 25 28.551 28.551 29.406 -0.855 25585 614 1 5 . 1 1 25 25 HIS H H 25 8.323 8.323 7.616 0.707 25585 615 1 5 . 1 1 26 26 PRO HA H 26 4.468 4.468 4.388 0.080 25585 616 1 5 . 1 1 26 26 PRO CA C 26 63.834 63.834 64.034 -0.200 25585 617 1 5 . 1 1 26 26 PRO CB C 26 31.936 31.936 31.785 0.151 25585 618 1 5 . 1 1 27 27 GLY N N 27 108.880 108.880 105.815 3.065 25585 619 1 5 . 1 1 27 27 GLY CA C 27 45.212 45.212 45.178 0.034 25585 620 1 5 . 1 1 27 27 GLY H H 27 8.594 8.594 8.553 0.041 25585 621 1 5 . 1 1 28 28 ASN N N 28 118.144 118.144 117.311 0.833 25585 622 1 5 . 1 1 28 28 ASN HA H 28 4.665 4.665 4.262 0.403 25585 623 1 5 . 1 1 28 28 ASN CA C 28 52.967 52.967 53.595 -0.628 25585 624 1 5 . 1 1 28 28 ASN CB C 28 38.579 38.579 37.271 1.308 25585 625 1 5 . 1 1 28 28 ASN H H 28 8.154 8.154 7.679 0.475 25585 626 1 5 . 1 1 29 29 TYR N N 29 119.962 119.962 112.452 7.510 25585 627 1 5 . 1 1 29 29 TYR HA H 29 4.520 4.520 4.211 0.309 25585 628 1 5 . 1 1 29 29 TYR CA C 29 57.544 57.544 58.870 -1.326 25585 629 1 5 . 1 1 29 29 TYR CB C 29 39.011 39.011 36.087 2.924 25585 630 1 5 . 1 1 29 29 TYR H H 29 8.058 8.058 7.786 0.272 25585 631 1 5 . 1 1 30 30 ASP N N 30 120.874 120.874 116.094 4.780 25585 632 1 5 . 1 1 30 30 ASP HA H 30 4.679 4.679 4.221 0.458 25585 633 1 5 . 1 1 30 30 ASP CA C 30 52.827 52.827 55.694 -2.867 25585 634 1 5 . 1 1 30 30 ASP CB C 30 38.567 38.567 39.998 -1.431 25585 635 1 5 . 1 1 30 30 ASP H H 30 8.226 8.226 7.971 0.255 25585 636 1 6 . 1 1 3 3 CYS N N 3 120.614 120.614 123.462 -2.848 25585 637 1 6 . 1 1 3 3 CYS HA H 3 4.799 4.799 4.540 0.259 25585 638 1 6 . 1 1 3 3 CYS CA C 3 51.792 51.792 57.831 -6.039 25585 639 1 6 . 1 1 3 3 CYS CB C 3 42.170 42.170 29.742 12.428 25585 640 1 6 . 1 1 3 3 CYS H H 3 7.958 7.958 7.575 0.383 25585 641 1 6 . 1 1 4 4 GLN N N 4 121.450 121.450 120.735 0.715 25585 642 1 6 . 1 1 4 4 GLN HA H 4 4.180 4.180 4.189 -0.009 25585 643 1 6 . 1 1 4 4 GLN CA C 4 54.557 54.557 53.005 1.552 25585 644 1 6 . 1 1 4 4 GLN CB C 4 27.191 27.191 28.466 -1.275 25585 645 1 6 . 1 1 4 4 GLN H H 4 8.737 8.737 8.187 0.550 25585 646 1 6 . 1 1 5 5 PRO HA H 5 4.409 4.409 4.296 0.113 25585 647 1 6 . 1 1 5 5 PRO CA C 5 64.354 64.354 64.257 0.096 25585 648 1 6 . 1 1 5 5 PRO CB C 5 31.710 31.710 31.801 -0.091 25585 649 1 6 . 1 1 6 6 GLY N N 6 111.865 111.865 110.787 1.078 25585 650 1 6 . 1 1 6 6 GLY CA C 6 45.063 45.063 45.674 -0.611 25585 651 1 6 . 1 1 6 6 GLY H H 6 8.948 8.948 8.730 0.218 25585 652 1 6 . 1 1 7 7 TYR N N 7 120.136 120.136 119.809 0.327 25585 653 1 6 . 1 1 7 7 TYR HA H 7 5.057 5.057 5.178 -0.121 25585 654 1 6 . 1 1 7 7 TYR CA C 7 56.393 56.393 56.536 -0.143 25585 655 1 6 . 1 1 7 7 TYR CB C 7 41.345 41.345 42.149 -0.804 25585 656 1 6 . 1 1 7 7 TYR H H 7 8.300 8.300 7.692 0.608 25585 657 1 6 . 1 1 8 8 ALA N N 8 121.599 121.599 122.701 -1.102 25585 658 1 6 . 1 1 8 8 ALA HA H 8 4.686 4.686 4.703 -0.017 25585 659 1 6 . 1 1 8 8 ALA CA C 8 50.942 50.942 50.661 0.281 25585 660 1 6 . 1 1 8 8 ALA CB C 8 22.157 22.157 22.175 -0.018 25585 661 1 6 . 1 1 8 8 ALA H H 8 9.286 9.286 9.064 0.222 25585 662 1 6 . 1 1 9 9 TYR N N 9 124.797 124.797 124.592 0.205 25585 663 1 6 . 1 1 9 9 TYR HA H 9 4.338 4.338 4.245 0.093 25585 664 1 6 . 1 1 9 9 TYR CA C 9 59.315 59.315 58.304 1.011 25585 665 1 6 . 1 1 9 9 TYR CB C 9 38.798 38.798 38.135 0.663 25585 666 1 6 . 1 1 9 9 TYR H H 9 9.112 9.112 8.723 0.389 25585 667 1 6 . 1 1 10 10 ASN N N 10 128.087 128.087 125.877 2.210 25585 668 1 6 . 1 1 10 10 ASN HA H 10 5.079 5.079 4.892 0.187 25585 669 1 6 . 1 1 10 10 ASN CA C 10 49.172 49.172 49.501 -0.329 25585 670 1 6 . 1 1 10 10 ASN CB C 10 38.824 38.824 40.392 -1.567 25585 671 1 6 . 1 1 10 10 ASN H H 10 8.210 8.210 8.676 -0.466 25585 672 1 6 . 1 1 11 11 PRO HA H 11 4.065 4.065 4.348 -0.283 25585 673 1 6 . 1 1 11 11 PRO CA C 11 63.988 63.988 63.950 0.037 25585 674 1 6 . 1 1 11 11 PRO CB C 11 32.043 32.043 31.641 0.402 25585 675 1 6 . 1 1 12 12 VAL N N 12 119.341 119.341 116.088 3.253 25585 676 1 6 . 1 1 12 12 VAL HA H 12 3.758 3.758 4.105 -0.347 25585 677 1 6 . 1 1 12 12 VAL CA C 12 65.103 65.103 63.292 1.811 25585 678 1 6 . 1 1 12 12 VAL CB C 12 31.723 31.723 31.632 0.091 25585 679 1 6 . 1 1 12 12 VAL H H 12 7.570 7.570 7.511 0.059 25585 680 1 6 . 1 1 13 13 LEU N N 13 116.412 116.412 120.360 -3.948 25585 681 1 6 . 1 1 13 13 LEU HA H 13 4.289 4.289 4.680 -0.391 25585 682 1 6 . 1 1 13 13 LEU CA C 13 55.820 55.820 55.359 0.461 25585 683 1 6 . 1 1 13 13 LEU CB C 13 43.984 43.984 44.679 -0.695 25585 684 1 6 . 1 1 13 13 LEU H H 13 6.902 6.902 7.533 -0.631 25585 685 1 6 . 1 1 14 14 GLY N N 14 108.651 108.651 106.650 2.001 25585 686 1 6 . 1 1 14 14 GLY CA C 14 46.243 46.243 45.210 1.033 25585 687 1 6 . 1 1 14 14 GLY H H 14 8.387 8.387 8.451 -0.064 25585 688 1 6 . 1 1 15 15 ILE N N 15 109.703 109.703 113.058 -3.355 25585 689 1 6 . 1 1 15 15 ILE HA H 15 4.829 4.829 4.752 0.077 25585 690 1 6 . 1 1 15 15 ILE CA C 15 58.677 58.677 58.820 -0.143 25585 691 1 6 . 1 1 15 15 ILE CB C 15 43.373 43.373 40.132 3.241 25585 692 1 6 . 1 1 15 15 ILE H H 15 6.727 6.727 7.381 -0.654 25585 693 1 6 . 1 1 16 16 CYS N N 16 120.648 120.648 119.854 0.794 25585 694 1 6 . 1 1 16 16 CYS HA H 16 5.192 5.192 5.358 -0.166 25585 695 1 6 . 1 1 16 16 CYS CA C 16 55.993 55.993 58.518 -2.525 25585 696 1 6 . 1 1 16 16 CYS CB C 16 43.124 43.124 27.456 15.668 25585 697 1 6 . 1 1 16 16 CYS H H 16 8.811 8.811 8.720 0.091 25585 698 1 6 . 1 1 17 17 THR N N 17 116.440 116.440 115.438 1.002 25585 699 1 6 . 1 1 17 17 THR HA H 17 4.859 4.859 4.856 0.003 25585 700 1 6 . 1 1 17 17 THR CB C 17 69.862 69.862 71.130 -1.268 25585 701 1 6 . 1 1 17 17 THR H H 17 9.357 9.357 9.213 0.144 25585 702 1 6 . 1 1 18 18 ILE N N 18 124.956 124.956 122.864 2.092 25585 703 1 6 . 1 1 18 18 ILE HA H 18 3.392 3.392 3.152 0.240 25585 704 1 6 . 1 1 18 18 ILE CA C 18 62.208 62.208 61.656 0.552 25585 705 1 6 . 1 1 18 18 ILE CB C 18 38.935 38.935 38.261 0.674 25585 706 1 6 . 1 1 18 18 ILE H H 18 8.493 8.493 8.327 0.166 25585 707 1 6 . 1 1 19 19 THR N N 19 119.997 119.997 122.314 -2.317 25585 708 1 6 . 1 1 19 19 THR HA H 19 4.331 4.331 4.439 -0.108 25585 709 1 6 . 1 1 19 19 THR CA C 19 61.222 61.222 60.118 1.104 25585 710 1 6 . 1 1 19 19 THR CB C 19 69.839 69.839 70.450 -0.611 25585 711 1 6 . 1 1 19 19 THR H H 19 8.060 8.060 8.253 -0.193 25585 712 1 6 . 1 1 20 20 LEU N N 20 125.150 125.150 125.455 -0.305 25585 713 1 6 . 1 1 20 20 LEU HA H 20 4.287 4.287 4.225 0.062 25585 714 1 6 . 1 1 20 20 LEU CA C 20 56.119 56.119 57.297 -1.178 25585 715 1 6 . 1 1 20 20 LEU CB C 20 42.079 42.079 41.212 0.867 25585 716 1 6 . 1 1 20 20 LEU H H 20 8.354 8.354 8.805 -0.451 25585 717 1 6 . 1 1 21 21 SER N N 21 115.796 115.796 114.322 1.474 25585 718 1 6 . 1 1 21 21 SER HA H 21 4.350 4.350 4.320 0.030 25585 719 1 6 . 1 1 21 21 SER CA C 21 58.899 58.899 60.439 -1.540 25585 720 1 6 . 1 1 21 21 SER CB C 21 63.363 63.363 63.136 0.227 25585 721 1 6 . 1 1 21 21 SER H H 21 8.274 8.274 8.324 -0.050 25585 722 1 6 . 1 1 22 22 ARG N N 22 122.561 122.561 122.073 0.488 25585 723 1 6 . 1 1 22 22 ARG HA H 22 4.289 4.289 4.108 0.181 25585 724 1 6 . 1 1 22 22 ARG CA C 22 54.946 54.946 58.480 -3.534 25585 725 1 6 . 1 1 22 22 ARG CB C 22 30.369 30.369 29.953 0.416 25585 726 1 6 . 1 1 22 22 ARG H H 22 8.149 8.149 7.623 0.526 25585 727 1 6 . 1 1 23 23 ILE N N 23 121.335 121.335 118.497 2.838 25585 728 1 6 . 1 1 23 23 ILE HA H 23 4.001 4.001 3.658 0.343 25585 729 1 6 . 1 1 23 23 ILE CA C 23 61.671 61.671 64.081 -2.410 25585 730 1 6 . 1 1 23 23 ILE CB C 23 38.383 38.383 37.985 0.398 25585 731 1 6 . 1 1 23 23 ILE H H 23 8.002 8.002 7.788 0.214 25585 732 1 6 . 1 1 24 24 GLU N N 24 122.372 122.372 114.941 7.431 25585 733 1 6 . 1 1 24 24 GLU HA H 24 4.209 4.209 4.325 -0.116 25585 734 1 6 . 1 1 24 24 GLU CA C 24 56.115 56.115 55.651 0.464 25585 735 1 6 . 1 1 24 24 GLU CB C 24 29.306 29.306 31.742 -2.436 25585 736 1 6 . 1 1 24 24 GLU H H 24 8.317 8.317 8.259 0.058 25585 737 1 6 . 1 1 25 25 HIS N N 25 118.365 118.365 117.914 0.451 25585 738 1 6 . 1 1 25 25 HIS HA H 25 5.022 5.022 4.556 0.466 25585 739 1 6 . 1 1 25 25 HIS CA C 25 52.772 52.772 55.669 -2.897 25585 740 1 6 . 1 1 25 25 HIS CB C 25 28.551 28.551 27.938 0.613 25585 741 1 6 . 1 1 25 25 HIS H H 25 8.323 8.323 8.148 0.175 25585 742 1 6 . 1 1 26 26 PRO HA H 26 4.468 4.468 4.378 0.090 25585 743 1 6 . 1 1 26 26 PRO CA C 26 63.834 63.834 65.351 -1.517 25585 744 1 6 . 1 1 26 26 PRO CB C 26 31.936 31.936 31.782 0.154 25585 745 1 6 . 1 1 27 27 GLY N N 27 108.880 108.880 105.367 3.513 25585 746 1 6 . 1 1 27 27 GLY CA C 27 45.212 45.212 47.003 -1.791 25585 747 1 6 . 1 1 27 27 GLY H H 27 8.594 8.594 8.762 -0.168 25585 748 1 6 . 1 1 28 28 ASN N N 28 118.144 118.144 119.514 -1.370 25585 749 1 6 . 1 1 28 28 ASN HA H 28 4.665 4.665 4.523 0.142 25585 750 1 6 . 1 1 28 28 ASN CA C 28 52.967 52.967 55.040 -2.073 25585 751 1 6 . 1 1 28 28 ASN CB C 28 38.579 38.579 38.650 -0.071 25585 752 1 6 . 1 1 28 28 ASN H H 28 8.154 8.154 7.930 0.224 25585 753 1 6 . 1 1 29 29 TYR N N 29 119.962 119.962 115.869 4.093 25585 754 1 6 . 1 1 29 29 TYR HA H 29 4.520 4.520 4.575 -0.055 25585 755 1 6 . 1 1 29 29 TYR CA C 29 57.544 57.544 58.449 -0.905 25585 756 1 6 . 1 1 29 29 TYR CB C 29 39.011 39.011 38.944 0.067 25585 757 1 6 . 1 1 29 29 TYR H H 29 8.058 8.058 7.659 0.399 25585 758 1 6 . 1 1 30 30 ASP N N 30 120.874 120.874 118.780 2.094 25585 759 1 6 . 1 1 30 30 ASP HA H 30 4.679 4.679 4.324 0.355 25585 760 1 6 . 1 1 30 30 ASP CA C 30 52.827 52.827 54.745 -1.918 25585 761 1 6 . 1 1 30 30 ASP CB C 30 38.567 38.567 39.620 -1.053 25585 762 1 6 . 1 1 30 30 ASP H H 30 8.226 8.226 7.865 0.361 25585 763 1 7 . 1 1 3 3 CYS N N 3 120.614 120.614 123.473 -2.859 25585 764 1 7 . 1 1 3 3 CYS HA H 3 4.799 4.799 4.529 0.270 25585 765 1 7 . 1 1 3 3 CYS CA C 3 51.792 51.792 57.822 -6.030 25585 766 1 7 . 1 1 3 3 CYS CB C 3 42.170 42.170 29.786 12.384 25585 767 1 7 . 1 1 3 3 CYS H H 3 7.958 7.958 7.598 0.360 25585 768 1 7 . 1 1 4 4 GLN N N 4 121.450 121.450 120.657 0.793 25585 769 1 7 . 1 1 4 4 GLN HA H 4 4.180 4.180 4.179 0.001 25585 770 1 7 . 1 1 4 4 GLN CA C 4 54.557 54.557 52.964 1.593 25585 771 1 7 . 1 1 4 4 GLN CB C 4 27.191 27.191 28.483 -1.292 25585 772 1 7 . 1 1 4 4 GLN H H 4 8.737 8.737 8.166 0.571 25585 773 1 7 . 1 1 5 5 PRO HA H 5 4.409 4.409 4.230 0.179 25585 774 1 7 . 1 1 5 5 PRO CA C 5 64.354 64.354 64.241 0.113 25585 775 1 7 . 1 1 5 5 PRO CB C 5 31.710 31.710 31.809 -0.099 25585 776 1 7 . 1 1 6 6 GLY N N 6 111.865 111.865 110.443 1.422 25585 777 1 7 . 1 1 6 6 GLY CA C 6 45.063 45.063 45.917 -0.854 25585 778 1 7 . 1 1 6 6 GLY H H 6 8.948 8.948 8.671 0.277 25585 779 1 7 . 1 1 7 7 TYR N N 7 120.136 120.136 119.655 0.481 25585 780 1 7 . 1 1 7 7 TYR HA H 7 5.057 5.057 5.047 0.010 25585 781 1 7 . 1 1 7 7 TYR CA C 7 56.393 56.393 56.538 -0.145 25585 782 1 7 . 1 1 7 7 TYR CB C 7 41.345 41.345 42.115 -0.770 25585 783 1 7 . 1 1 7 7 TYR H H 7 8.300 8.300 7.628 0.672 25585 784 1 7 . 1 1 8 8 ALA N N 8 121.599 121.599 122.840 -1.241 25585 785 1 7 . 1 1 8 8 ALA HA H 8 4.686 4.686 4.666 0.020 25585 786 1 7 . 1 1 8 8 ALA CA C 8 50.942 50.942 50.610 0.332 25585 787 1 7 . 1 1 8 8 ALA CB C 8 22.157 22.157 22.082 0.075 25585 788 1 7 . 1 1 8 8 ALA H H 8 9.286 9.286 8.947 0.339 25585 789 1 7 . 1 1 9 9 TYR N N 9 124.797 124.797 124.708 0.089 25585 790 1 7 . 1 1 9 9 TYR HA H 9 4.338 4.338 4.224 0.114 25585 791 1 7 . 1 1 9 9 TYR CA C 9 59.315 59.315 58.269 1.046 25585 792 1 7 . 1 1 9 9 TYR CB C 9 38.798 38.798 38.124 0.674 25585 793 1 7 . 1 1 9 9 TYR H H 9 9.112 9.112 8.706 0.406 25585 794 1 7 . 1 1 10 10 ASN N N 10 128.087 128.087 125.891 2.196 25585 795 1 7 . 1 1 10 10 ASN HA H 10 5.079 5.079 4.877 0.202 25585 796 1 7 . 1 1 10 10 ASN CA C 10 49.172 49.172 49.482 -0.310 25585 797 1 7 . 1 1 10 10 ASN CB C 10 38.824 38.824 40.360 -1.536 25585 798 1 7 . 1 1 10 10 ASN H H 10 8.210 8.210 8.676 -0.466 25585 799 1 7 . 1 1 11 11 PRO HA H 11 4.065 4.065 4.361 -0.296 25585 800 1 7 . 1 1 11 11 PRO CA C 11 63.988 63.988 64.172 -0.184 25585 801 1 7 . 1 1 11 11 PRO CB C 11 32.043 32.043 31.662 0.381 25585 802 1 7 . 1 1 12 12 VAL N N 12 119.341 119.341 115.774 3.567 25585 803 1 7 . 1 1 12 12 VAL HA H 12 3.758 3.758 4.063 -0.305 25585 804 1 7 . 1 1 12 12 VAL CA C 12 65.103 65.103 63.417 1.686 25585 805 1 7 . 1 1 12 12 VAL CB C 12 31.723 31.723 32.066 -0.343 25585 806 1 7 . 1 1 12 12 VAL H H 12 7.570 7.570 7.557 0.013 25585 807 1 7 . 1 1 13 13 LEU N N 13 116.412 116.412 120.218 -3.806 25585 808 1 7 . 1 1 13 13 LEU HA H 13 4.289 4.289 4.753 -0.464 25585 809 1 7 . 1 1 13 13 LEU CA C 13 55.820 55.820 55.267 0.553 25585 810 1 7 . 1 1 13 13 LEU CB C 13 43.984 43.984 44.487 -0.503 25585 811 1 7 . 1 1 13 13 LEU H H 13 6.902 6.902 7.541 -0.639 25585 812 1 7 . 1 1 14 14 GLY N N 14 108.651 108.651 106.544 2.107 25585 813 1 7 . 1 1 14 14 GLY CA C 14 46.243 46.243 45.197 1.046 25585 814 1 7 . 1 1 14 14 GLY H H 14 8.387 8.387 8.431 -0.044 25585 815 1 7 . 1 1 15 15 ILE N N 15 109.703 109.703 112.983 -3.280 25585 816 1 7 . 1 1 15 15 ILE HA H 15 4.829 4.829 4.747 0.082 25585 817 1 7 . 1 1 15 15 ILE CA C 15 58.677 58.677 58.831 -0.155 25585 818 1 7 . 1 1 15 15 ILE CB C 15 43.373 43.373 40.122 3.251 25585 819 1 7 . 1 1 15 15 ILE H H 15 6.727 6.727 7.379 -0.652 25585 820 1 7 . 1 1 16 16 CYS N N 16 120.648 120.648 120.367 0.281 25585 821 1 7 . 1 1 16 16 CYS HA H 16 5.192 5.192 5.388 -0.196 25585 822 1 7 . 1 1 16 16 CYS CA C 16 55.993 55.993 58.483 -2.490 25585 823 1 7 . 1 1 16 16 CYS CB C 16 43.124 43.124 27.252 15.872 25585 824 1 7 . 1 1 16 16 CYS H H 16 8.811 8.811 8.654 0.157 25585 825 1 7 . 1 1 17 17 THR N N 17 116.440 116.440 115.255 1.185 25585 826 1 7 . 1 1 17 17 THR HA H 17 4.859 4.859 4.854 0.005 25585 827 1 7 . 1 1 17 17 THR CB C 17 69.862 69.862 71.658 -1.796 25585 828 1 7 . 1 1 17 17 THR H H 17 9.357 9.357 8.957 0.400 25585 829 1 7 . 1 1 18 18 ILE N N 18 124.956 124.956 123.674 1.282 25585 830 1 7 . 1 1 18 18 ILE HA H 18 3.392 3.392 3.163 0.229 25585 831 1 7 . 1 1 18 18 ILE CA C 18 62.208 62.208 61.508 0.700 25585 832 1 7 . 1 1 18 18 ILE CB C 18 38.935 38.935 38.276 0.659 25585 833 1 7 . 1 1 18 18 ILE H H 18 8.493 8.493 8.411 0.082 25585 834 1 7 . 1 1 19 19 THR N N 19 119.997 119.997 121.952 -1.955 25585 835 1 7 . 1 1 19 19 THR HA H 19 4.331 4.331 4.440 -0.109 25585 836 1 7 . 1 1 19 19 THR CA C 19 61.222 61.222 60.048 1.174 25585 837 1 7 . 1 1 19 19 THR CB C 19 69.839 69.839 70.588 -0.749 25585 838 1 7 . 1 1 19 19 THR H H 19 8.060 8.060 8.050 0.010 25585 839 1 7 . 1 1 20 20 LEU N N 20 125.150 125.150 127.057 -1.907 25585 840 1 7 . 1 1 20 20 LEU HA H 20 4.287 4.287 4.068 0.219 25585 841 1 7 . 1 1 20 20 LEU CA C 20 56.119 56.119 57.260 -1.141 25585 842 1 7 . 1 1 20 20 LEU CB C 20 42.079 42.079 41.972 0.106 25585 843 1 7 . 1 1 20 20 LEU H H 20 8.354 8.354 8.818 -0.464 25585 844 1 7 . 1 1 21 21 SER N N 21 115.796 115.796 114.778 1.018 25585 845 1 7 . 1 1 21 21 SER HA H 21 4.350 4.350 4.010 0.340 25585 846 1 7 . 1 1 21 21 SER CA C 21 58.899 58.899 61.479 -2.580 25585 847 1 7 . 1 1 21 21 SER CB C 21 63.363 63.363 62.596 0.767 25585 848 1 7 . 1 1 21 21 SER H H 21 8.274 8.274 8.076 0.198 25585 849 1 7 . 1 1 22 22 ARG N N 22 122.561 122.561 120.940 1.621 25585 850 1 7 . 1 1 22 22 ARG HA H 22 4.289 4.289 4.074 0.215 25585 851 1 7 . 1 1 22 22 ARG CA C 22 54.946 54.946 58.628 -3.682 25585 852 1 7 . 1 1 22 22 ARG CB C 22 30.369 30.369 29.988 0.381 25585 853 1 7 . 1 1 22 22 ARG H H 22 8.149 8.149 7.436 0.713 25585 854 1 7 . 1 1 23 23 ILE N N 23 121.335 121.335 119.820 1.515 25585 855 1 7 . 1 1 23 23 ILE HA H 23 4.001 4.001 3.862 0.139 25585 856 1 7 . 1 1 23 23 ILE CA C 23 61.671 61.671 63.946 -2.275 25585 857 1 7 . 1 1 23 23 ILE CB C 23 38.383 38.383 37.794 0.589 25585 858 1 7 . 1 1 23 23 ILE H H 23 8.002 8.002 7.633 0.369 25585 859 1 7 . 1 1 24 24 GLU N N 24 122.372 122.372 115.011 7.361 25585 860 1 7 . 1 1 24 24 GLU HA H 24 4.209 4.209 4.437 -0.228 25585 861 1 7 . 1 1 24 24 GLU CA C 24 56.115 56.115 55.648 0.467 25585 862 1 7 . 1 1 24 24 GLU CB C 24 29.306 29.306 30.611 -1.305 25585 863 1 7 . 1 1 24 24 GLU H H 24 8.317 8.317 8.569 -0.252 25585 864 1 7 . 1 1 25 25 HIS N N 25 118.365 118.365 119.651 -1.286 25585 865 1 7 . 1 1 25 25 HIS HA H 25 5.022 5.022 4.905 0.117 25585 866 1 7 . 1 1 25 25 HIS CA C 25 52.772 52.772 53.919 -1.147 25585 867 1 7 . 1 1 25 25 HIS CB C 25 28.551 28.551 29.479 -0.928 25585 868 1 7 . 1 1 25 25 HIS H H 25 8.323 8.323 7.917 0.406 25585 869 1 7 . 1 1 26 26 PRO HA H 26 4.468 4.468 4.281 0.187 25585 870 1 7 . 1 1 26 26 PRO CA C 26 63.834 63.834 64.340 -0.506 25585 871 1 7 . 1 1 26 26 PRO CB C 26 31.936 31.936 31.943 -0.007 25585 872 1 7 . 1 1 27 27 GLY N N 27 108.880 108.880 104.085 4.795 25585 873 1 7 . 1 1 27 27 GLY CA C 27 45.212 45.212 45.266 -0.054 25585 874 1 7 . 1 1 27 27 GLY H H 27 8.594 8.594 8.591 0.003 25585 875 1 7 . 1 1 28 28 ASN N N 28 118.144 118.144 117.563 0.581 25585 876 1 7 . 1 1 28 28 ASN HA H 28 4.665 4.665 4.315 0.350 25585 877 1 7 . 1 1 28 28 ASN CA C 28 52.967 52.967 53.675 -0.708 25585 878 1 7 . 1 1 28 28 ASN CB C 28 38.579 38.579 37.313 1.266 25585 879 1 7 . 1 1 28 28 ASN H H 28 8.154 8.154 7.760 0.394 25585 880 1 7 . 1 1 29 29 TYR N N 29 119.962 119.962 112.129 7.833 25585 881 1 7 . 1 1 29 29 TYR HA H 29 4.520 4.520 4.171 0.349 25585 882 1 7 . 1 1 29 29 TYR CA C 29 57.544 57.544 58.389 -0.845 25585 883 1 7 . 1 1 29 29 TYR CB C 29 39.011 39.011 36.259 2.752 25585 884 1 7 . 1 1 29 29 TYR H H 29 8.058 8.058 7.872 0.186 25585 885 1 7 . 1 1 30 30 ASP N N 30 120.874 120.874 117.036 3.838 25585 886 1 7 . 1 1 30 30 ASP HA H 30 4.679 4.679 4.259 0.420 25585 887 1 7 . 1 1 30 30 ASP CA C 30 52.827 52.827 55.434 -2.607 25585 888 1 7 . 1 1 30 30 ASP CB C 30 38.567 38.567 40.182 -1.615 25585 889 1 7 . 1 1 30 30 ASP H H 30 8.226 8.226 8.058 0.168 25585 890 1 8 . 1 1 3 3 CYS N N 3 120.614 120.614 124.016 -3.402 25585 891 1 8 . 1 1 3 3 CYS HA H 3 4.799 4.799 4.564 0.235 25585 892 1 8 . 1 1 3 3 CYS CA C 3 51.792 51.792 57.230 -5.438 25585 893 1 8 . 1 1 3 3 CYS CB C 3 42.170 42.170 30.053 12.117 25585 894 1 8 . 1 1 3 3 CYS H H 3 7.958 7.958 7.614 0.344 25585 895 1 8 . 1 1 4 4 GLN N N 4 121.450 121.450 120.919 0.531 25585 896 1 8 . 1 1 4 4 GLN HA H 4 4.180 4.180 4.121 0.059 25585 897 1 8 . 1 1 4 4 GLN CA C 4 54.557 54.557 53.106 1.451 25585 898 1 8 . 1 1 4 4 GLN CB C 4 27.191 27.191 28.379 -1.188 25585 899 1 8 . 1 1 4 4 GLN H H 4 8.737 8.737 8.181 0.556 25585 900 1 8 . 1 1 5 5 PRO HA H 5 4.409 4.409 4.204 0.205 25585 901 1 8 . 1 1 5 5 PRO CA C 5 64.354 64.354 64.214 0.140 25585 902 1 8 . 1 1 5 5 PRO CB C 5 31.710 31.710 31.753 -0.043 25585 903 1 8 . 1 1 6 6 GLY N N 6 111.865 111.865 110.622 1.243 25585 904 1 8 . 1 1 6 6 GLY CA C 6 45.063 45.063 45.922 -0.859 25585 905 1 8 . 1 1 6 6 GLY H H 6 8.948 8.948 8.675 0.273 25585 906 1 8 . 1 1 7 7 TYR N N 7 120.136 120.136 119.718 0.418 25585 907 1 8 . 1 1 7 7 TYR HA H 7 5.057 5.057 5.108 -0.051 25585 908 1 8 . 1 1 7 7 TYR CA C 7 56.393 56.393 56.467 -0.074 25585 909 1 8 . 1 1 7 7 TYR CB C 7 41.345 41.345 42.105 -0.760 25585 910 1 8 . 1 1 7 7 TYR H H 7 8.300 8.300 7.648 0.652 25585 911 1 8 . 1 1 8 8 ALA N N 8 121.599 121.599 122.753 -1.154 25585 912 1 8 . 1 1 8 8 ALA HA H 8 4.686 4.686 4.692 -0.006 25585 913 1 8 . 1 1 8 8 ALA CA C 8 50.942 50.942 50.647 0.295 25585 914 1 8 . 1 1 8 8 ALA CB C 8 22.157 22.157 22.135 0.022 25585 915 1 8 . 1 1 8 8 ALA H H 8 9.286 9.286 9.008 0.278 25585 916 1 8 . 1 1 9 9 TYR N N 9 124.797 124.797 124.683 0.114 25585 917 1 8 . 1 1 9 9 TYR HA H 9 4.338 4.338 4.231 0.107 25585 918 1 8 . 1 1 9 9 TYR CA C 9 59.315 59.315 58.292 1.023 25585 919 1 8 . 1 1 9 9 TYR CB C 9 38.798 38.798 38.100 0.698 25585 920 1 8 . 1 1 9 9 TYR H H 9 9.112 9.112 8.728 0.384 25585 921 1 8 . 1 1 10 10 ASN N N 10 128.087 128.087 125.949 2.138 25585 922 1 8 . 1 1 10 10 ASN HA H 10 5.079 5.079 4.893 0.186 25585 923 1 8 . 1 1 10 10 ASN CA C 10 49.172 49.172 49.505 -0.333 25585 924 1 8 . 1 1 10 10 ASN CB C 10 38.824 38.824 40.386 -1.562 25585 925 1 8 . 1 1 10 10 ASN H H 10 8.210 8.210 8.770 -0.560 25585 926 1 8 . 1 1 11 11 PRO HA H 11 4.065 4.065 4.359 -0.294 25585 927 1 8 . 1 1 11 11 PRO CA C 11 63.988 63.988 64.071 -0.083 25585 928 1 8 . 1 1 11 11 PRO CB C 11 32.043 32.043 31.663 0.380 25585 929 1 8 . 1 1 12 12 VAL N N 12 119.341 119.341 115.739 3.602 25585 930 1 8 . 1 1 12 12 VAL HA H 12 3.758 3.758 4.062 -0.304 25585 931 1 8 . 1 1 12 12 VAL CA C 12 65.103 65.103 63.172 1.931 25585 932 1 8 . 1 1 12 12 VAL CB C 12 31.723 31.723 32.024 -0.301 25585 933 1 8 . 1 1 12 12 VAL H H 12 7.570 7.570 7.574 -0.004 25585 934 1 8 . 1 1 13 13 LEU N N 13 116.412 116.412 120.228 -3.816 25585 935 1 8 . 1 1 13 13 LEU HA H 13 4.289 4.289 4.725 -0.436 25585 936 1 8 . 1 1 13 13 LEU CA C 13 55.820 55.820 55.361 0.459 25585 937 1 8 . 1 1 13 13 LEU CB C 13 43.984 43.984 44.652 -0.668 25585 938 1 8 . 1 1 13 13 LEU H H 13 6.902 6.902 7.566 -0.664 25585 939 1 8 . 1 1 14 14 GLY N N 14 108.651 108.651 106.564 2.087 25585 940 1 8 . 1 1 14 14 GLY CA C 14 46.243 46.243 45.207 1.036 25585 941 1 8 . 1 1 14 14 GLY H H 14 8.387 8.387 8.450 -0.063 25585 942 1 8 . 1 1 15 15 ILE N N 15 109.703 109.703 113.047 -3.344 25585 943 1 8 . 1 1 15 15 ILE HA H 15 4.829 4.829 4.752 0.077 25585 944 1 8 . 1 1 15 15 ILE CA C 15 58.677 58.677 58.836 -0.159 25585 945 1 8 . 1 1 15 15 ILE CB C 15 43.373 43.373 40.100 3.272 25585 946 1 8 . 1 1 15 15 ILE H H 15 6.727 6.727 7.392 -0.665 25585 947 1 8 . 1 1 16 16 CYS N N 16 120.648 120.648 120.125 0.523 25585 948 1 8 . 1 1 16 16 CYS HA H 16 5.192 5.192 5.444 -0.252 25585 949 1 8 . 1 1 16 16 CYS CA C 16 55.993 55.993 58.794 -2.801 25585 950 1 8 . 1 1 16 16 CYS CB C 16 43.124 43.124 27.417 15.707 25585 951 1 8 . 1 1 16 16 CYS H H 16 8.811 8.811 8.705 0.106 25585 952 1 8 . 1 1 17 17 THR N N 17 116.440 116.440 114.921 1.519 25585 953 1 8 . 1 1 17 17 THR HA H 17 4.859 4.859 4.840 0.019 25585 954 1 8 . 1 1 17 17 THR CB C 17 69.862 69.862 71.713 -1.851 25585 955 1 8 . 1 1 17 17 THR H H 17 9.357 9.357 8.990 0.367 25585 956 1 8 . 1 1 18 18 ILE N N 18 124.956 124.956 123.615 1.341 25585 957 1 8 . 1 1 18 18 ILE HA H 18 3.392 3.392 3.062 0.330 25585 958 1 8 . 1 1 18 18 ILE CA C 18 62.208 62.208 61.493 0.715 25585 959 1 8 . 1 1 18 18 ILE CB C 18 38.935 38.935 38.164 0.771 25585 960 1 8 . 1 1 18 18 ILE H H 18 8.493 8.493 8.297 0.196 25585 961 1 8 . 1 1 19 19 THR N N 19 119.997 119.997 122.255 -2.258 25585 962 1 8 . 1 1 19 19 THR HA H 19 4.331 4.331 4.464 -0.133 25585 963 1 8 . 1 1 19 19 THR CA C 19 61.222 61.222 60.041 1.181 25585 964 1 8 . 1 1 19 19 THR CB C 19 69.839 69.839 70.678 -0.839 25585 965 1 8 . 1 1 19 19 THR H H 19 8.060 8.060 8.182 -0.122 25585 966 1 8 . 1 1 20 20 LEU N N 20 125.150 125.150 126.195 -1.045 25585 967 1 8 . 1 1 20 20 LEU HA H 20 4.287 4.287 4.145 0.142 25585 968 1 8 . 1 1 20 20 LEU CA C 20 56.119 56.119 57.057 -0.938 25585 969 1 8 . 1 1 20 20 LEU CB C 20 42.079 42.079 41.799 0.280 25585 970 1 8 . 1 1 20 20 LEU H H 20 8.354 8.354 8.676 -0.322 25585 971 1 8 . 1 1 21 21 SER N N 21 115.796 115.796 115.327 0.469 25585 972 1 8 . 1 1 21 21 SER HA H 21 4.350 4.350 4.286 0.064 25585 973 1 8 . 1 1 21 21 SER CA C 21 58.899 58.899 61.233 -2.334 25585 974 1 8 . 1 1 21 21 SER CB C 21 63.363 63.363 63.008 0.355 25585 975 1 8 . 1 1 21 21 SER H H 21 8.274 8.274 8.014 0.260 25585 976 1 8 . 1 1 22 22 ARG N N 22 122.561 122.561 121.817 0.744 25585 977 1 8 . 1 1 22 22 ARG HA H 22 4.289 4.289 4.127 0.162 25585 978 1 8 . 1 1 22 22 ARG CA C 22 54.946 54.946 58.333 -3.387 25585 979 1 8 . 1 1 22 22 ARG CB C 22 30.369 30.369 30.329 0.040 25585 980 1 8 . 1 1 22 22 ARG H H 22 8.149 8.149 7.522 0.627 25585 981 1 8 . 1 1 23 23 ILE N N 23 121.335 121.335 119.588 1.747 25585 982 1 8 . 1 1 23 23 ILE HA H 23 4.001 4.001 4.072 -0.071 25585 983 1 8 . 1 1 23 23 ILE CA C 23 61.671 61.671 60.990 0.681 25585 984 1 8 . 1 1 23 23 ILE CB C 23 38.383 38.383 38.047 0.336 25585 985 1 8 . 1 1 23 23 ILE H H 23 8.002 8.002 7.661 0.341 25585 986 1 8 . 1 1 24 24 GLU N N 24 122.372 122.372 121.517 0.855 25585 987 1 8 . 1 1 24 24 GLU HA H 24 4.209 4.209 4.362 -0.153 25585 988 1 8 . 1 1 24 24 GLU CA C 24 56.115 56.115 55.392 0.723 25585 989 1 8 . 1 1 24 24 GLU CB C 24 29.306 29.306 30.013 -0.707 25585 990 1 8 . 1 1 24 24 GLU H H 24 8.317 8.317 6.866 1.451 25585 991 1 8 . 1 1 25 25 HIS N N 25 118.365 118.365 113.288 5.077 25585 992 1 8 . 1 1 25 25 HIS HA H 25 5.022 5.022 4.907 0.115 25585 993 1 8 . 1 1 25 25 HIS CA C 25 52.772 52.772 54.254 -1.482 25585 994 1 8 . 1 1 25 25 HIS CB C 25 28.551 28.551 28.106 0.445 25585 995 1 8 . 1 1 25 25 HIS H H 25 8.323 8.323 7.436 0.887 25585 996 1 8 . 1 1 26 26 PRO HA H 26 4.468 4.468 4.509 -0.041 25585 997 1 8 . 1 1 26 26 PRO CA C 26 63.834 63.834 64.740 -0.906 25585 998 1 8 . 1 1 26 26 PRO CB C 26 31.936 31.936 32.156 -0.220 25585 999 1 8 . 1 1 27 27 GLY N N 27 108.880 108.880 107.787 1.093 25585 1000 1 8 . 1 1 27 27 GLY CA C 27 45.212 45.212 46.762 -1.550 25585 1001 1 8 . 1 1 27 27 GLY H H 27 8.594 8.594 8.317 0.277 25585 1002 1 8 . 1 1 28 28 ASN N N 28 118.144 118.144 119.925 -1.781 25585 1003 1 8 . 1 1 28 28 ASN HA H 28 4.665 4.665 4.444 0.221 25585 1004 1 8 . 1 1 28 28 ASN CA C 28 52.967 52.967 54.895 -1.928 25585 1005 1 8 . 1 1 28 28 ASN CB C 28 38.579 38.579 38.291 0.288 25585 1006 1 8 . 1 1 28 28 ASN H H 28 8.154 8.154 8.423 -0.269 25585 1007 1 8 . 1 1 29 29 TYR N N 29 119.962 119.962 118.877 1.085 25585 1008 1 8 . 1 1 29 29 TYR HA H 29 4.520 4.520 4.756 -0.236 25585 1009 1 8 . 1 1 29 29 TYR CA C 29 57.544 57.544 56.870 0.673 25585 1010 1 8 . 1 1 29 29 TYR CB C 29 39.011 39.011 37.472 1.539 25585 1011 1 8 . 1 1 29 29 TYR H H 29 8.058 8.058 7.756 0.302 25585 1012 1 8 . 1 1 30 30 ASP N N 30 120.874 120.874 121.610 -0.736 25585 1013 1 8 . 1 1 30 30 ASP HA H 30 4.679 4.679 4.586 0.093 25585 1014 1 8 . 1 1 30 30 ASP CA C 30 52.827 52.827 56.001 -3.174 25585 1015 1 8 . 1 1 30 30 ASP CB C 30 38.567 38.567 41.167 -2.600 25585 1016 1 8 . 1 1 30 30 ASP H H 30 8.226 8.226 8.457 -0.231 25585 1017 1 9 . 1 1 3 3 CYS N N 3 120.614 120.614 123.369 -2.755 25585 1018 1 9 . 1 1 3 3 CYS HA H 3 4.799 4.799 4.547 0.252 25585 1019 1 9 . 1 1 3 3 CYS CA C 3 51.792 51.792 57.819 -6.027 25585 1020 1 9 . 1 1 3 3 CYS CB C 3 42.170 42.170 29.761 12.409 25585 1021 1 9 . 1 1 3 3 CYS H H 3 7.958 7.958 7.554 0.404 25585 1022 1 9 . 1 1 4 4 GLN N N 4 121.450 121.450 120.738 0.712 25585 1023 1 9 . 1 1 4 4 GLN HA H 4 4.180 4.180 4.211 -0.031 25585 1024 1 9 . 1 1 4 4 GLN CA C 4 54.557 54.557 52.983 1.574 25585 1025 1 9 . 1 1 4 4 GLN CB C 4 27.191 27.191 28.515 -1.324 25585 1026 1 9 . 1 1 4 4 GLN H H 4 8.737 8.737 8.192 0.545 25585 1027 1 9 . 1 1 5 5 PRO HA H 5 4.409 4.409 4.168 0.241 25585 1028 1 9 . 1 1 5 5 PRO CA C 5 64.354 64.354 64.457 -0.103 25585 1029 1 9 . 1 1 5 5 PRO CB C 5 31.710 31.710 31.722 -0.012 25585 1030 1 9 . 1 1 6 6 GLY N N 6 111.865 111.865 109.644 2.221 25585 1031 1 9 . 1 1 6 6 GLY CA C 6 45.063 45.063 45.659 -0.596 25585 1032 1 9 . 1 1 6 6 GLY H H 6 8.948 8.948 8.610 0.338 25585 1033 1 9 . 1 1 7 7 TYR N N 7 120.136 120.136 119.582 0.554 25585 1034 1 9 . 1 1 7 7 TYR HA H 7 5.057 5.057 5.062 -0.005 25585 1035 1 9 . 1 1 7 7 TYR CA C 7 56.393 56.393 56.565 -0.172 25585 1036 1 9 . 1 1 7 7 TYR CB C 7 41.345 41.345 42.218 -0.872 25585 1037 1 9 . 1 1 7 7 TYR H H 7 8.300 8.300 7.667 0.633 25585 1038 1 9 . 1 1 8 8 ALA N N 8 121.599 121.599 122.713 -1.114 25585 1039 1 9 . 1 1 8 8 ALA HA H 8 4.686 4.686 4.678 0.008 25585 1040 1 9 . 1 1 8 8 ALA CA C 8 50.942 50.942 50.690 0.252 25585 1041 1 9 . 1 1 8 8 ALA CB C 8 22.157 22.157 22.130 0.027 25585 1042 1 9 . 1 1 8 8 ALA H H 8 9.286 9.286 8.903 0.383 25585 1043 1 9 . 1 1 9 9 TYR N N 9 124.797 124.797 124.256 0.541 25585 1044 1 9 . 1 1 9 9 TYR HA H 9 4.338 4.338 4.237 0.101 25585 1045 1 9 . 1 1 9 9 TYR CA C 9 59.315 59.315 58.475 0.840 25585 1046 1 9 . 1 1 9 9 TYR CB C 9 38.798 38.798 38.264 0.534 25585 1047 1 9 . 1 1 9 9 TYR H H 9 9.112 9.112 8.701 0.411 25585 1048 1 9 . 1 1 10 10 ASN N N 10 128.087 128.087 125.618 2.469 25585 1049 1 9 . 1 1 10 10 ASN HA H 10 5.079 5.079 4.926 0.153 25585 1050 1 9 . 1 1 10 10 ASN CA C 10 49.172 49.172 49.521 -0.349 25585 1051 1 9 . 1 1 10 10 ASN CB C 10 38.824 38.824 40.081 -1.257 25585 1052 1 9 . 1 1 10 10 ASN H H 10 8.210 8.210 8.484 -0.274 25585 1053 1 9 . 1 1 11 11 PRO HA H 11 4.065 4.065 4.122 -0.057 25585 1054 1 9 . 1 1 11 11 PRO CA C 11 63.988 63.988 64.184 -0.196 25585 1055 1 9 . 1 1 11 11 PRO CB C 11 32.043 32.043 31.505 0.538 25585 1056 1 9 . 1 1 12 12 VAL N N 12 119.341 119.341 115.587 3.754 25585 1057 1 9 . 1 1 12 12 VAL HA H 12 3.758 3.758 4.099 -0.341 25585 1058 1 9 . 1 1 12 12 VAL CA C 12 65.103 65.103 63.126 1.977 25585 1059 1 9 . 1 1 12 12 VAL CB C 12 31.723 31.723 31.494 0.229 25585 1060 1 9 . 1 1 12 12 VAL H H 12 7.570 7.570 7.462 0.108 25585 1061 1 9 . 1 1 13 13 LEU N N 13 116.412 116.412 120.112 -3.700 25585 1062 1 9 . 1 1 13 13 LEU HA H 13 4.289 4.289 4.700 -0.411 25585 1063 1 9 . 1 1 13 13 LEU CA C 13 55.820 55.820 55.285 0.535 25585 1064 1 9 . 1 1 13 13 LEU CB C 13 43.984 43.984 44.537 -0.553 25585 1065 1 9 . 1 1 13 13 LEU H H 13 6.902 6.902 7.675 -0.773 25585 1066 1 9 . 1 1 14 14 GLY N N 14 108.651 108.651 107.601 1.050 25585 1067 1 9 . 1 1 14 14 GLY CA C 14 46.243 46.243 45.056 1.187 25585 1068 1 9 . 1 1 14 14 GLY H H 14 8.387 8.387 8.556 -0.169 25585 1069 1 9 . 1 1 15 15 ILE N N 15 109.703 109.703 113.858 -4.155 25585 1070 1 9 . 1 1 15 15 ILE HA H 15 4.829 4.829 4.817 0.012 25585 1071 1 9 . 1 1 15 15 ILE CA C 15 58.677 58.677 58.713 -0.036 25585 1072 1 9 . 1 1 15 15 ILE CB C 15 43.373 43.373 40.340 3.033 25585 1073 1 9 . 1 1 15 15 ILE H H 15 6.727 6.727 7.309 -0.582 25585 1074 1 9 . 1 1 16 16 CYS N N 16 120.648 120.648 119.611 1.037 25585 1075 1 9 . 1 1 16 16 CYS HA H 16 5.192 5.192 5.302 -0.110 25585 1076 1 9 . 1 1 16 16 CYS CA C 16 55.993 55.993 58.625 -2.632 25585 1077 1 9 . 1 1 16 16 CYS CB C 16 43.124 43.124 27.301 15.823 25585 1078 1 9 . 1 1 16 16 CYS H H 16 8.811 8.811 8.703 0.108 25585 1079 1 9 . 1 1 17 17 THR N N 17 116.440 116.440 114.706 1.734 25585 1080 1 9 . 1 1 17 17 THR HA H 17 4.859 4.859 4.934 -0.075 25585 1081 1 9 . 1 1 17 17 THR CB C 17 69.862 69.862 72.013 -2.151 25585 1082 1 9 . 1 1 17 17 THR H H 17 9.357 9.357 8.906 0.451 25585 1083 1 9 . 1 1 18 18 ILE N N 18 124.956 124.956 123.983 0.973 25585 1084 1 9 . 1 1 18 18 ILE HA H 18 3.392 3.392 3.198 0.194 25585 1085 1 9 . 1 1 18 18 ILE CA C 18 62.208 62.208 61.782 0.426 25585 1086 1 9 . 1 1 18 18 ILE CB C 18 38.935 38.935 38.371 0.564 25585 1087 1 9 . 1 1 18 18 ILE H H 18 8.493 8.493 8.498 -0.005 25585 1088 1 9 . 1 1 19 19 THR N N 19 119.997 119.997 122.545 -2.548 25585 1089 1 9 . 1 1 19 19 THR HA H 19 4.331 4.331 4.419 -0.088 25585 1090 1 9 . 1 1 19 19 THR CA C 19 61.222 61.222 60.119 1.103 25585 1091 1 9 . 1 1 19 19 THR CB C 19 69.839 69.839 69.946 -0.107 25585 1092 1 9 . 1 1 19 19 THR H H 19 8.060 8.060 8.339 -0.279 25585 1093 1 9 . 1 1 20 20 LEU N N 20 125.150 125.150 123.129 2.021 25585 1094 1 9 . 1 1 20 20 LEU HA H 20 4.287 4.287 4.232 0.055 25585 1095 1 9 . 1 1 20 20 LEU CA C 20 56.119 56.119 56.571 -0.452 25585 1096 1 9 . 1 1 20 20 LEU CB C 20 42.079 42.079 40.691 1.388 25585 1097 1 9 . 1 1 20 20 LEU H H 20 8.354 8.354 8.701 -0.347 25585 1098 1 9 . 1 1 21 21 SER N N 21 115.796 115.796 115.538 0.258 25585 1099 1 9 . 1 1 21 21 SER HA H 21 4.350 4.350 3.906 0.444 25585 1100 1 9 . 1 1 21 21 SER CA C 21 58.899 58.899 60.909 -2.010 25585 1101 1 9 . 1 1 21 21 SER CB C 21 63.363 63.363 62.644 0.719 25585 1102 1 9 . 1 1 21 21 SER H H 21 8.274 8.274 8.225 0.049 25585 1103 1 9 . 1 1 22 22 ARG N N 22 122.561 122.561 121.965 0.596 25585 1104 1 9 . 1 1 22 22 ARG HA H 22 4.289 4.289 4.257 0.032 25585 1105 1 9 . 1 1 22 22 ARG CA C 22 54.946 54.946 58.378 -3.432 25585 1106 1 9 . 1 1 22 22 ARG CB C 22 30.369 30.369 29.933 0.436 25585 1107 1 9 . 1 1 22 22 ARG H H 22 8.149 8.149 7.497 0.652 25585 1108 1 9 . 1 1 23 23 ILE N N 23 121.335 121.335 119.873 1.462 25585 1109 1 9 . 1 1 23 23 ILE HA H 23 4.001 4.001 3.905 0.096 25585 1110 1 9 . 1 1 23 23 ILE CA C 23 61.671 61.671 63.894 -2.223 25585 1111 1 9 . 1 1 23 23 ILE CB C 23 38.383 38.383 37.763 0.620 25585 1112 1 9 . 1 1 23 23 ILE H H 23 8.002 8.002 7.623 0.379 25585 1113 1 9 . 1 1 24 24 GLU N N 24 122.372 122.372 116.146 6.226 25585 1114 1 9 . 1 1 24 24 GLU HA H 24 4.209 4.209 4.453 -0.244 25585 1115 1 9 . 1 1 24 24 GLU CA C 24 56.115 56.115 56.161 -0.046 25585 1116 1 9 . 1 1 24 24 GLU CB C 24 29.306 29.306 30.117 -0.811 25585 1117 1 9 . 1 1 24 24 GLU H H 24 8.317 8.317 8.552 -0.235 25585 1118 1 9 . 1 1 25 25 HIS N N 25 118.365 118.365 119.527 -1.162 25585 1119 1 9 . 1 1 25 25 HIS HA H 25 5.022 5.022 4.984 0.038 25585 1120 1 9 . 1 1 25 25 HIS CA C 25 52.772 52.772 53.255 -0.483 25585 1121 1 9 . 1 1 25 25 HIS CB C 25 28.551 28.551 29.762 -1.211 25585 1122 1 9 . 1 1 25 25 HIS H H 25 8.323 8.323 8.163 0.160 25585 1123 1 9 . 1 1 26 26 PRO HA H 26 4.468 4.468 4.555 -0.087 25585 1124 1 9 . 1 1 26 26 PRO CA C 26 63.834 63.834 64.665 -0.831 25585 1125 1 9 . 1 1 26 26 PRO CB C 26 31.936 31.936 31.810 0.126 25585 1126 1 9 . 1 1 27 27 GLY N N 27 108.880 108.880 107.044 1.836 25585 1127 1 9 . 1 1 27 27 GLY CA C 27 45.212 45.212 46.868 -1.656 25585 1128 1 9 . 1 1 27 27 GLY H H 27 8.594 8.594 8.769 -0.175 25585 1129 1 9 . 1 1 28 28 ASN N N 28 118.144 118.144 119.655 -1.511 25585 1130 1 9 . 1 1 28 28 ASN HA H 28 4.665 4.665 4.504 0.161 25585 1131 1 9 . 1 1 28 28 ASN CA C 28 52.967 52.967 55.086 -2.119 25585 1132 1 9 . 1 1 28 28 ASN CB C 28 38.579 38.579 37.980 0.599 25585 1133 1 9 . 1 1 28 28 ASN H H 28 8.154 8.154 7.866 0.288 25585 1134 1 9 . 1 1 29 29 TYR N N 29 119.962 119.962 117.452 2.510 25585 1135 1 9 . 1 1 29 29 TYR HA H 29 4.520 4.520 4.480 0.040 25585 1136 1 9 . 1 1 29 29 TYR CA C 29 57.544 57.544 58.990 -1.446 25585 1137 1 9 . 1 1 29 29 TYR CB C 29 39.011 39.011 38.682 0.329 25585 1138 1 9 . 1 1 29 29 TYR H H 29 8.058 8.058 7.729 0.329 25585 1139 1 9 . 1 1 30 30 ASP N N 30 120.874 120.874 117.329 3.545 25585 1140 1 9 . 1 1 30 30 ASP HA H 30 4.679 4.679 4.322 0.357 25585 1141 1 9 . 1 1 30 30 ASP CA C 30 52.827 52.827 55.581 -2.753 25585 1142 1 9 . 1 1 30 30 ASP CB C 30 38.567 38.567 39.227 -0.660 25585 1143 1 9 . 1 1 30 30 ASP H H 30 8.226 8.226 7.858 0.368 25585 1144 1 10 . 1 1 3 3 CYS N N 3 120.614 120.614 124.171 -3.557 25585 1145 1 10 . 1 1 3 3 CYS HA H 3 4.799 4.799 4.550 0.249 25585 1146 1 10 . 1 1 3 3 CYS CA C 3 51.792 51.792 57.248 -5.456 25585 1147 1 10 . 1 1 3 3 CYS CB C 3 42.170 42.170 29.997 12.174 25585 1148 1 10 . 1 1 3 3 CYS H H 3 7.958 7.958 7.645 0.313 25585 1149 1 10 . 1 1 4 4 GLN N N 4 121.450 121.450 121.121 0.329 25585 1150 1 10 . 1 1 4 4 GLN HA H 4 4.180 4.180 4.090 0.090 25585 1151 1 10 . 1 1 4 4 GLN CA C 4 54.557 54.557 53.164 1.393 25585 1152 1 10 . 1 1 4 4 GLN CB C 4 27.191 27.191 28.309 -1.118 25585 1153 1 10 . 1 1 4 4 GLN H H 4 8.737 8.737 8.169 0.568 25585 1154 1 10 . 1 1 5 5 PRO HA H 5 4.409 4.409 4.178 0.231 25585 1155 1 10 . 1 1 5 5 PRO CA C 5 64.354 64.354 64.345 0.009 25585 1156 1 10 . 1 1 5 5 PRO CB C 5 31.710 31.710 31.662 0.048 25585 1157 1 10 . 1 1 6 6 GLY N N 6 111.865 111.865 109.773 2.092 25585 1158 1 10 . 1 1 6 6 GLY CA C 6 45.063 45.063 45.524 -0.461 25585 1159 1 10 . 1 1 6 6 GLY H H 6 8.948 8.948 8.681 0.267 25585 1160 1 10 . 1 1 7 7 TYR N N 7 120.136 120.136 119.661 0.475 25585 1161 1 10 . 1 1 7 7 TYR HA H 7 5.057 5.057 5.084 -0.027 25585 1162 1 10 . 1 1 7 7 TYR CA C 7 56.393 56.393 56.558 -0.165 25585 1163 1 10 . 1 1 7 7 TYR CB C 7 41.345 41.345 42.164 -0.819 25585 1164 1 10 . 1 1 7 7 TYR H H 7 8.300 8.300 7.636 0.664 25585 1165 1 10 . 1 1 8 8 ALA N N 8 121.599 121.599 122.567 -0.968 25585 1166 1 10 . 1 1 8 8 ALA HA H 8 4.686 4.686 4.695 -0.009 25585 1167 1 10 . 1 1 8 8 ALA CA C 8 50.942 50.942 50.717 0.225 25585 1168 1 10 . 1 1 8 8 ALA CB C 8 22.157 22.157 22.175 -0.018 25585 1169 1 10 . 1 1 8 8 ALA H H 8 9.286 9.286 8.961 0.325 25585 1170 1 10 . 1 1 9 9 TYR N N 9 124.797 124.797 124.228 0.569 25585 1171 1 10 . 1 1 9 9 TYR HA H 9 4.338 4.338 4.252 0.086 25585 1172 1 10 . 1 1 9 9 TYR CA C 9 59.315 59.315 58.473 0.842 25585 1173 1 10 . 1 1 9 9 TYR CB C 9 38.798 38.798 38.253 0.545 25585 1174 1 10 . 1 1 9 9 TYR H H 9 9.112 9.112 8.718 0.394 25585 1175 1 10 . 1 1 10 10 ASN N N 10 128.087 128.087 125.751 2.336 25585 1176 1 10 . 1 1 10 10 ASN HA H 10 5.079 5.079 4.934 0.145 25585 1177 1 10 . 1 1 10 10 ASN CA C 10 49.172 49.172 49.508 -0.336 25585 1178 1 10 . 1 1 10 10 ASN CB C 10 38.824 38.824 40.085 -1.261 25585 1179 1 10 . 1 1 10 10 ASN H H 10 8.210 8.210 8.490 -0.280 25585 1180 1 10 . 1 1 11 11 PRO HA H 11 4.065 4.065 4.136 -0.071 25585 1181 1 10 . 1 1 11 11 PRO CA C 11 63.988 63.988 64.166 -0.178 25585 1182 1 10 . 1 1 11 11 PRO CB C 11 32.043 32.043 31.503 0.540 25585 1183 1 10 . 1 1 12 12 VAL N N 12 119.341 119.341 115.560 3.781 25585 1184 1 10 . 1 1 12 12 VAL HA H 12 3.758 3.758 4.111 -0.353 25585 1185 1 10 . 1 1 12 12 VAL CA C 12 65.103 65.103 63.082 2.021 25585 1186 1 10 . 1 1 12 12 VAL CB C 12 31.723 31.723 31.483 0.240 25585 1187 1 10 . 1 1 12 12 VAL H H 12 7.570 7.570 7.466 0.104 25585 1188 1 10 . 1 1 13 13 LEU N N 13 116.412 116.412 120.147 -3.735 25585 1189 1 10 . 1 1 13 13 LEU HA H 13 4.289 4.289 4.704 -0.415 25585 1190 1 10 . 1 1 13 13 LEU CA C 13 55.820 55.820 55.248 0.572 25585 1191 1 10 . 1 1 13 13 LEU CB C 13 43.984 43.984 44.575 -0.591 25585 1192 1 10 . 1 1 13 13 LEU H H 13 6.902 6.902 7.675 -0.773 25585 1193 1 10 . 1 1 14 14 GLY N N 14 108.651 108.651 107.519 1.132 25585 1194 1 10 . 1 1 14 14 GLY CA C 14 46.243 46.243 45.099 1.144 25585 1195 1 10 . 1 1 14 14 GLY H H 14 8.387 8.387 8.579 -0.192 25585 1196 1 10 . 1 1 15 15 ILE N N 15 109.703 109.703 114.113 -4.410 25585 1197 1 10 . 1 1 15 15 ILE HA H 15 4.829 4.829 4.811 0.018 25585 1198 1 10 . 1 1 15 15 ILE CA C 15 58.677 58.677 58.813 -0.136 25585 1199 1 10 . 1 1 15 15 ILE CB C 15 43.373 43.373 40.396 2.977 25585 1200 1 10 . 1 1 15 15 ILE H H 15 6.727 6.727 7.313 -0.586 25585 1201 1 10 . 1 1 16 16 CYS N N 16 120.648 120.648 119.649 0.999 25585 1202 1 10 . 1 1 16 16 CYS HA H 16 5.192 5.192 5.313 -0.121 25585 1203 1 10 . 1 1 16 16 CYS CA C 16 55.993 55.993 58.781 -2.788 25585 1204 1 10 . 1 1 16 16 CYS CB C 16 43.124 43.124 27.418 15.706 25585 1205 1 10 . 1 1 16 16 CYS H H 16 8.811 8.811 8.731 0.080 25585 1206 1 10 . 1 1 17 17 THR N N 17 116.440 116.440 115.545 0.895 25585 1207 1 10 . 1 1 17 17 THR HA H 17 4.859 4.859 4.846 0.013 25585 1208 1 10 . 1 1 17 17 THR CB C 17 69.862 69.862 70.522 -0.660 25585 1209 1 10 . 1 1 17 17 THR H H 17 9.357 9.357 9.148 0.209 25585 1210 1 10 . 1 1 18 18 ILE N N 18 124.956 124.956 123.010 1.946 25585 1211 1 10 . 1 1 18 18 ILE HA H 18 3.392 3.392 3.084 0.308 25585 1212 1 10 . 1 1 18 18 ILE CA C 18 62.208 62.208 61.745 0.463 25585 1213 1 10 . 1 1 18 18 ILE CB C 18 38.935 38.935 38.441 0.494 25585 1214 1 10 . 1 1 18 18 ILE H H 18 8.493 8.493 8.283 0.210 25585 1215 1 10 . 1 1 19 19 THR N N 19 119.997 119.997 122.161 -2.164 25585 1216 1 10 . 1 1 19 19 THR HA H 19 4.331 4.331 4.457 -0.126 25585 1217 1 10 . 1 1 19 19 THR CA C 19 61.222 61.222 59.886 1.336 25585 1218 1 10 . 1 1 19 19 THR CB C 19 69.839 69.839 70.860 -1.021 25585 1219 1 10 . 1 1 19 19 THR H H 19 8.060 8.060 8.050 0.010 25585 1220 1 10 . 1 1 20 20 LEU N N 20 125.150 125.150 126.154 -1.004 25585 1221 1 10 . 1 1 20 20 LEU HA H 20 4.287 4.287 4.094 0.193 25585 1222 1 10 . 1 1 20 20 LEU CA C 20 56.119 56.119 57.665 -1.546 25585 1223 1 10 . 1 1 20 20 LEU CB C 20 42.079 42.079 41.920 0.158 25585 1224 1 10 . 1 1 20 20 LEU H H 20 8.354 8.354 8.777 -0.423 25585 1225 1 10 . 1 1 21 21 SER N N 21 115.796 115.796 115.447 0.349 25585 1226 1 10 . 1 1 21 21 SER HA H 21 4.350 4.350 4.253 0.097 25585 1227 1 10 . 1 1 21 21 SER CA C 21 58.899 58.899 60.975 -2.076 25585 1228 1 10 . 1 1 21 21 SER CB C 21 63.363 63.363 63.008 0.355 25585 1229 1 10 . 1 1 21 21 SER H H 21 8.274 8.274 8.011 0.263 25585 1230 1 10 . 1 1 22 22 ARG N N 22 122.561 122.561 120.315 2.246 25585 1231 1 10 . 1 1 22 22 ARG HA H 22 4.289 4.289 4.605 -0.316 25585 1232 1 10 . 1 1 22 22 ARG CA C 22 54.946 54.946 56.303 -1.357 25585 1233 1 10 . 1 1 22 22 ARG CB C 22 30.369 30.369 30.677 -0.308 25585 1234 1 10 . 1 1 22 22 ARG H H 22 8.149 8.149 7.859 0.290 25585 1235 1 10 . 1 1 23 23 ILE N N 23 121.335 121.335 118.046 3.289 25585 1236 1 10 . 1 1 23 23 ILE HA H 23 4.001 4.001 4.327 -0.326 25585 1237 1 10 . 1 1 23 23 ILE CA C 23 61.671 61.671 61.796 -0.125 25585 1238 1 10 . 1 1 23 23 ILE CB C 23 38.383 38.383 40.441 -2.058 25585 1239 1 10 . 1 1 23 23 ILE H H 23 8.002 8.002 8.300 -0.298 25585 1240 1 10 . 1 1 24 24 GLU N N 24 122.372 122.372 120.367 2.005 25585 1241 1 10 . 1 1 24 24 GLU HA H 24 4.209 4.209 4.171 0.038 25585 1242 1 10 . 1 1 24 24 GLU CA C 24 56.115 56.115 55.315 0.801 25585 1243 1 10 . 1 1 24 24 GLU CB C 24 29.306 29.306 30.674 -1.368 25585 1244 1 10 . 1 1 24 24 GLU H H 24 8.317 8.317 7.243 1.074 25585 1245 1 10 . 1 1 25 25 HIS N N 25 118.365 118.365 120.212 -1.847 25585 1246 1 10 . 1 1 25 25 HIS HA H 25 5.022 5.022 4.754 0.268 25585 1247 1 10 . 1 1 25 25 HIS CA C 25 52.772 52.772 54.455 -1.683 25585 1248 1 10 . 1 1 25 25 HIS CB C 25 28.551 28.551 28.448 0.103 25585 1249 1 10 . 1 1 25 25 HIS H H 25 8.323 8.323 8.350 -0.027 25585 1250 1 10 . 1 1 26 26 PRO HA H 26 4.468 4.468 4.112 0.356 25585 1251 1 10 . 1 1 26 26 PRO CA C 26 63.834 63.834 64.618 -0.784 25585 1252 1 10 . 1 1 26 26 PRO CB C 26 31.936 31.936 31.474 0.462 25585 1253 1 10 . 1 1 27 27 GLY N N 27 108.880 108.880 106.204 2.676 25585 1254 1 10 . 1 1 27 27 GLY CA C 27 45.212 45.212 45.876 -0.664 25585 1255 1 10 . 1 1 27 27 GLY H H 27 8.594 8.594 8.391 0.203 25585 1256 1 10 . 1 1 28 28 ASN N N 28 118.144 118.144 121.404 -3.260 25585 1257 1 10 . 1 1 28 28 ASN HA H 28 4.665 4.665 4.470 0.195 25585 1258 1 10 . 1 1 28 28 ASN CA C 28 52.967 52.967 55.172 -2.205 25585 1259 1 10 . 1 1 28 28 ASN CB C 28 38.579 38.579 38.974 -0.395 25585 1260 1 10 . 1 1 28 28 ASN H H 28 8.154 8.154 7.663 0.491 25585 1261 1 10 . 1 1 29 29 TYR N N 29 119.962 119.962 116.374 3.588 25585 1262 1 10 . 1 1 29 29 TYR HA H 29 4.520 4.520 4.941 -0.421 25585 1263 1 10 . 1 1 29 29 TYR CA C 29 57.544 57.544 55.096 2.447 25585 1264 1 10 . 1 1 29 29 TYR CB C 29 39.011 39.011 37.539 1.472 25585 1265 1 10 . 1 1 29 29 TYR H H 29 8.058 8.058 7.015 1.043 25585 1266 1 10 . 1 1 30 30 ASP N N 30 120.874 120.874 121.075 -0.201 25585 1267 1 10 . 1 1 30 30 ASP HA H 30 4.679 4.679 4.370 0.309 25585 1268 1 10 . 1 1 30 30 ASP CA C 30 52.827 52.827 54.818 -1.991 25585 1269 1 10 . 1 1 30 30 ASP CB C 30 38.567 38.567 40.766 -2.199 25585 1270 1 10 . 1 1 30 30 ASP H H 30 8.226 8.226 7.774 0.452 25585 1271 1 11 . 1 1 3 3 CYS N N 3 120.614 120.614 123.846 -3.232 25585 1272 1 11 . 1 1 3 3 CYS HA H 3 4.799 4.799 4.517 0.282 25585 1273 1 11 . 1 1 3 3 CYS CA C 3 51.792 51.792 57.171 -5.379 25585 1274 1 11 . 1 1 3 3 CYS CB C 3 42.170 42.170 30.261 11.909 25585 1275 1 11 . 1 1 3 3 CYS H H 3 7.958 7.958 7.589 0.369 25585 1276 1 11 . 1 1 4 4 GLN N N 4 121.450 121.450 120.654 0.796 25585 1277 1 11 . 1 1 4 4 GLN HA H 4 4.180 4.180 4.154 0.026 25585 1278 1 11 . 1 1 4 4 GLN CA C 4 54.557 54.557 52.944 1.613 25585 1279 1 11 . 1 1 4 4 GLN CB C 4 27.191 27.191 28.420 -1.229 25585 1280 1 11 . 1 1 4 4 GLN H H 4 8.737 8.737 8.124 0.613 25585 1281 1 11 . 1 1 5 5 PRO HA H 5 4.409 4.409 4.157 0.252 25585 1282 1 11 . 1 1 5 5 PRO CA C 5 64.354 64.354 64.485 -0.131 25585 1283 1 11 . 1 1 5 5 PRO CB C 5 31.710 31.710 31.684 0.026 25585 1284 1 11 . 1 1 6 6 GLY N N 6 111.865 111.865 109.669 2.196 25585 1285 1 11 . 1 1 6 6 GLY CA C 6 45.063 45.063 45.507 -0.444 25585 1286 1 11 . 1 1 6 6 GLY H H 6 8.948 8.948 8.669 0.279 25585 1287 1 11 . 1 1 7 7 TYR N N 7 120.136 120.136 119.643 0.493 25585 1288 1 11 . 1 1 7 7 TYR HA H 7 5.057 5.057 5.141 -0.084 25585 1289 1 11 . 1 1 7 7 TYR CA C 7 56.393 56.393 56.437 -0.044 25585 1290 1 11 . 1 1 7 7 TYR CB C 7 41.345 41.345 42.143 -0.798 25585 1291 1 11 . 1 1 7 7 TYR H H 7 8.300 8.300 7.673 0.627 25585 1292 1 11 . 1 1 8 8 ALA N N 8 121.599 121.599 122.853 -1.254 25585 1293 1 11 . 1 1 8 8 ALA HA H 8 4.686 4.686 4.671 0.015 25585 1294 1 11 . 1 1 8 8 ALA CA C 8 50.942 50.942 50.678 0.264 25585 1295 1 11 . 1 1 8 8 ALA CB C 8 22.157 22.157 22.168 -0.011 25585 1296 1 11 . 1 1 8 8 ALA H H 8 9.286 9.286 8.913 0.373 25585 1297 1 11 . 1 1 9 9 TYR N N 9 124.797 124.797 124.266 0.531 25585 1298 1 11 . 1 1 9 9 TYR HA H 9 4.338 4.338 4.233 0.105 25585 1299 1 11 . 1 1 9 9 TYR CA C 9 59.315 59.315 58.485 0.830 25585 1300 1 11 . 1 1 9 9 TYR CB C 9 38.798 38.798 38.254 0.544 25585 1301 1 11 . 1 1 9 9 TYR H H 9 9.112 9.112 8.697 0.415 25585 1302 1 11 . 1 1 10 10 ASN N N 10 128.087 128.087 125.680 2.407 25585 1303 1 11 . 1 1 10 10 ASN HA H 10 5.079 5.079 4.927 0.152 25585 1304 1 11 . 1 1 10 10 ASN CA C 10 49.172 49.172 49.507 -0.335 25585 1305 1 11 . 1 1 10 10 ASN CB C 10 38.824 38.824 40.030 -1.206 25585 1306 1 11 . 1 1 10 10 ASN H H 10 8.210 8.210 8.362 -0.152 25585 1307 1 11 . 1 1 11 11 PRO HA H 11 4.065 4.065 4.107 -0.042 25585 1308 1 11 . 1 1 11 11 PRO CA C 11 63.988 63.988 64.151 -0.163 25585 1309 1 11 . 1 1 11 11 PRO CB C 11 32.043 32.043 31.487 0.556 25585 1310 1 11 . 1 1 12 12 VAL N N 12 119.341 119.341 115.566 3.775 25585 1311 1 11 . 1 1 12 12 VAL HA H 12 3.758 3.758 4.104 -0.346 25585 1312 1 11 . 1 1 12 12 VAL CA C 12 65.103 65.103 63.084 2.019 25585 1313 1 11 . 1 1 12 12 VAL CB C 12 31.723 31.723 31.476 0.247 25585 1314 1 11 . 1 1 12 12 VAL H H 12 7.570 7.570 7.449 0.121 25585 1315 1 11 . 1 1 13 13 LEU N N 13 116.412 116.412 120.125 -3.713 25585 1316 1 11 . 1 1 13 13 LEU HA H 13 4.289 4.289 4.702 -0.412 25585 1317 1 11 . 1 1 13 13 LEU CA C 13 55.820 55.820 55.246 0.574 25585 1318 1 11 . 1 1 13 13 LEU CB C 13 43.984 43.984 44.573 -0.589 25585 1319 1 11 . 1 1 13 13 LEU H H 13 6.902 6.902 7.685 -0.783 25585 1320 1 11 . 1 1 14 14 GLY N N 14 108.651 108.651 106.712 1.939 25585 1321 1 11 . 1 1 14 14 GLY CA C 14 46.243 46.243 45.201 1.042 25585 1322 1 11 . 1 1 14 14 GLY H H 14 8.387 8.387 8.451 -0.064 25585 1323 1 11 . 1 1 15 15 ILE N N 15 109.703 109.703 113.360 -3.657 25585 1324 1 11 . 1 1 15 15 ILE HA H 15 4.829 4.829 4.775 0.054 25585 1325 1 11 . 1 1 15 15 ILE CA C 15 58.677 58.677 58.707 -0.030 25585 1326 1 11 . 1 1 15 15 ILE CB C 15 43.373 43.373 40.343 3.030 25585 1327 1 11 . 1 1 15 15 ILE H H 15 6.727 6.727 7.280 -0.553 25585 1328 1 11 . 1 1 16 16 CYS N N 16 120.648 120.648 119.534 1.114 25585 1329 1 11 . 1 1 16 16 CYS HA H 16 5.192 5.192 5.237 -0.045 25585 1330 1 11 . 1 1 16 16 CYS CA C 16 55.993 55.993 58.680 -2.687 25585 1331 1 11 . 1 1 16 16 CYS CB C 16 43.124 43.124 27.283 15.841 25585 1332 1 11 . 1 1 16 16 CYS H H 16 8.811 8.811 8.764 0.047 25585 1333 1 11 . 1 1 17 17 THR N N 17 116.440 116.440 115.476 0.964 25585 1334 1 11 . 1 1 17 17 THR HA H 17 4.859 4.859 4.874 -0.015 25585 1335 1 11 . 1 1 17 17 THR CB C 17 69.862 69.862 70.719 -0.857 25585 1336 1 11 . 1 1 17 17 THR H H 17 9.357 9.357 9.114 0.243 25585 1337 1 11 . 1 1 18 18 ILE N N 18 124.956 124.956 124.205 0.751 25585 1338 1 11 . 1 1 18 18 ILE HA H 18 3.392 3.392 3.130 0.262 25585 1339 1 11 . 1 1 18 18 ILE CA C 18 62.208 62.208 61.499 0.709 25585 1340 1 11 . 1 1 18 18 ILE CB C 18 38.935 38.935 38.393 0.542 25585 1341 1 11 . 1 1 18 18 ILE H H 18 8.493 8.493 8.469 0.024 25585 1342 1 11 . 1 1 19 19 THR N N 19 119.997 119.997 123.269 -3.272 25585 1343 1 11 . 1 1 19 19 THR HA H 19 4.331 4.331 4.448 -0.117 25585 1344 1 11 . 1 1 19 19 THR CA C 19 61.222 61.222 60.540 0.682 25585 1345 1 11 . 1 1 19 19 THR CB C 19 69.839 69.839 70.413 -0.574 25585 1346 1 11 . 1 1 19 19 THR H H 19 8.060 8.060 8.318 -0.258 25585 1347 1 11 . 1 1 20 20 LEU N N 20 125.150 125.150 124.055 1.095 25585 1348 1 11 . 1 1 20 20 LEU HA H 20 4.287 4.287 4.103 0.184 25585 1349 1 11 . 1 1 20 20 LEU CA C 20 56.119 56.119 56.913 -0.794 25585 1350 1 11 . 1 1 20 20 LEU CB C 20 42.079 42.079 41.917 0.162 25585 1351 1 11 . 1 1 20 20 LEU H H 20 8.354 8.354 8.718 -0.364 25585 1352 1 11 . 1 1 21 21 SER N N 21 115.796 115.796 115.417 0.379 25585 1353 1 11 . 1 1 21 21 SER HA H 21 4.350 4.350 4.119 0.231 25585 1354 1 11 . 1 1 21 21 SER CA C 21 58.899 58.899 61.292 -2.393 25585 1355 1 11 . 1 1 21 21 SER CB C 21 63.363 63.363 62.873 0.490 25585 1356 1 11 . 1 1 21 21 SER H H 21 8.274 8.274 8.278 -0.004 25585 1357 1 11 . 1 1 22 22 ARG N N 22 122.561 122.561 121.732 0.829 25585 1358 1 11 . 1 1 22 22 ARG HA H 22 4.289 4.289 4.043 0.246 25585 1359 1 11 . 1 1 22 22 ARG CA C 22 54.946 54.946 58.552 -3.606 25585 1360 1 11 . 1 1 22 22 ARG CB C 22 30.369 30.369 29.875 0.494 25585 1361 1 11 . 1 1 22 22 ARG H H 22 8.149 8.149 7.407 0.742 25585 1362 1 11 . 1 1 23 23 ILE N N 23 121.335 121.335 119.927 1.408 25585 1363 1 11 . 1 1 23 23 ILE HA H 23 4.001 4.001 3.736 0.265 25585 1364 1 11 . 1 1 23 23 ILE CA C 23 61.671 61.671 63.993 -2.322 25585 1365 1 11 . 1 1 23 23 ILE CB C 23 38.383 38.383 38.138 0.245 25585 1366 1 11 . 1 1 23 23 ILE H H 23 8.002 8.002 7.886 0.116 25585 1367 1 11 . 1 1 24 24 GLU N N 24 122.372 122.372 114.170 8.202 25585 1368 1 11 . 1 1 24 24 GLU HA H 24 4.209 4.209 4.376 -0.167 25585 1369 1 11 . 1 1 24 24 GLU CA C 24 56.115 56.115 55.684 0.431 25585 1370 1 11 . 1 1 24 24 GLU CB C 24 29.306 29.306 30.438 -1.132 25585 1371 1 11 . 1 1 24 24 GLU H H 24 8.317 8.317 8.479 -0.162 25585 1372 1 11 . 1 1 25 25 HIS N N 25 118.365 118.365 118.961 -0.596 25585 1373 1 11 . 1 1 25 25 HIS HA H 25 5.022 5.022 4.914 0.108 25585 1374 1 11 . 1 1 25 25 HIS CA C 25 52.772 52.772 53.690 -0.918 25585 1375 1 11 . 1 1 25 25 HIS CB C 25 28.551 28.551 29.332 -0.781 25585 1376 1 11 . 1 1 25 25 HIS H H 25 8.323 8.323 7.794 0.529 25585 1377 1 11 . 1 1 26 26 PRO HA H 26 4.468 4.468 4.380 0.088 25585 1378 1 11 . 1 1 26 26 PRO CA C 26 63.834 63.834 64.057 -0.223 25585 1379 1 11 . 1 1 26 26 PRO CB C 26 31.936 31.936 31.784 0.152 25585 1380 1 11 . 1 1 27 27 GLY N N 27 108.880 108.880 105.873 3.007 25585 1381 1 11 . 1 1 27 27 GLY CA C 27 45.212 45.212 45.274 -0.062 25585 1382 1 11 . 1 1 27 27 GLY H H 27 8.594 8.594 8.588 0.006 25585 1383 1 11 . 1 1 28 28 ASN N N 28 118.144 118.144 117.599 0.545 25585 1384 1 11 . 1 1 28 28 ASN HA H 28 4.665 4.665 4.335 0.330 25585 1385 1 11 . 1 1 28 28 ASN CA C 28 52.967 52.967 53.649 -0.682 25585 1386 1 11 . 1 1 28 28 ASN CB C 28 38.579 38.579 37.419 1.160 25585 1387 1 11 . 1 1 28 28 ASN H H 28 8.154 8.154 7.778 0.376 25585 1388 1 11 . 1 1 29 29 TYR N N 29 119.962 119.962 112.147 7.815 25585 1389 1 11 . 1 1 29 29 TYR HA H 29 4.520 4.520 4.163 0.357 25585 1390 1 11 . 1 1 29 29 TYR CA C 29 57.544 57.544 58.456 -0.912 25585 1391 1 11 . 1 1 29 29 TYR CB C 29 39.011 39.011 36.410 2.601 25585 1392 1 11 . 1 1 29 29 TYR H H 29 8.058 8.058 7.896 0.162 25585 1393 1 11 . 1 1 30 30 ASP N N 30 120.874 120.874 117.543 3.331 25585 1394 1 11 . 1 1 30 30 ASP HA H 30 4.679 4.679 4.185 0.494 25585 1395 1 11 . 1 1 30 30 ASP CA C 30 52.827 52.827 55.122 -2.295 25585 1396 1 11 . 1 1 30 30 ASP CB C 30 38.567 38.567 40.034 -1.467 25585 1397 1 11 . 1 1 30 30 ASP H H 30 8.226 8.226 7.997 0.229 25585 1398 1 12 . 1 1 3 3 CYS N N 3 120.614 120.614 123.890 -3.276 25585 1399 1 12 . 1 1 3 3 CYS HA H 3 4.799 4.799 4.559 0.240 25585 1400 1 12 . 1 1 3 3 CYS CA C 3 51.792 51.792 57.201 -5.409 25585 1401 1 12 . 1 1 3 3 CYS CB C 3 42.170 42.170 30.218 11.952 25585 1402 1 12 . 1 1 3 3 CYS H H 3 7.958 7.958 7.615 0.343 25585 1403 1 12 . 1 1 4 4 GLN N N 4 121.450 121.450 120.779 0.671 25585 1404 1 12 . 1 1 4 4 GLN HA H 4 4.180 4.180 4.153 0.027 25585 1405 1 12 . 1 1 4 4 GLN CA C 4 54.557 54.557 53.063 1.494 25585 1406 1 12 . 1 1 4 4 GLN CB C 4 27.191 27.191 28.392 -1.201 25585 1407 1 12 . 1 1 4 4 GLN H H 4 8.737 8.737 8.166 0.571 25585 1408 1 12 . 1 1 5 5 PRO HA H 5 4.409 4.409 4.177 0.232 25585 1409 1 12 . 1 1 5 5 PRO CA C 5 64.354 64.354 64.392 -0.038 25585 1410 1 12 . 1 1 5 5 PRO CB C 5 31.710 31.710 31.658 0.052 25585 1411 1 12 . 1 1 6 6 GLY N N 6 111.865 111.865 109.857 2.008 25585 1412 1 12 . 1 1 6 6 GLY CA C 6 45.063 45.063 45.493 -0.430 25585 1413 1 12 . 1 1 6 6 GLY H H 6 8.948 8.948 8.679 0.269 25585 1414 1 12 . 1 1 7 7 TYR N N 7 120.136 120.136 119.691 0.445 25585 1415 1 12 . 1 1 7 7 TYR HA H 7 5.057 5.057 5.076 -0.019 25585 1416 1 12 . 1 1 7 7 TYR CA C 7 56.393 56.393 56.511 -0.118 25585 1417 1 12 . 1 1 7 7 TYR CB C 7 41.345 41.345 42.090 -0.745 25585 1418 1 12 . 1 1 7 7 TYR H H 7 8.300 8.300 7.658 0.642 25585 1419 1 12 . 1 1 8 8 ALA N N 8 121.599 121.599 122.773 -1.174 25585 1420 1 12 . 1 1 8 8 ALA HA H 8 4.686 4.686 4.695 -0.009 25585 1421 1 12 . 1 1 8 8 ALA CA C 8 50.942 50.942 50.720 0.222 25585 1422 1 12 . 1 1 8 8 ALA CB C 8 22.157 22.157 22.118 0.039 25585 1423 1 12 . 1 1 8 8 ALA H H 8 9.286 9.286 8.906 0.380 25585 1424 1 12 . 1 1 9 9 TYR N N 9 124.797 124.797 124.359 0.438 25585 1425 1 12 . 1 1 9 9 TYR HA H 9 4.338 4.338 4.239 0.099 25585 1426 1 12 . 1 1 9 9 TYR CA C 9 59.315 59.315 58.536 0.778 25585 1427 1 12 . 1 1 9 9 TYR CB C 9 38.798 38.798 38.258 0.540 25585 1428 1 12 . 1 1 9 9 TYR H H 9 9.112 9.112 8.721 0.391 25585 1429 1 12 . 1 1 10 10 ASN N N 10 128.087 128.087 125.675 2.412 25585 1430 1 12 . 1 1 10 10 ASN HA H 10 5.079 5.079 4.932 0.147 25585 1431 1 12 . 1 1 10 10 ASN CA C 10 49.172 49.172 49.514 -0.342 25585 1432 1 12 . 1 1 10 10 ASN CB C 10 38.824 38.824 40.053 -1.228 25585 1433 1 12 . 1 1 10 10 ASN H H 10 8.210 8.210 8.372 -0.162 25585 1434 1 12 . 1 1 11 11 PRO HA H 11 4.065 4.065 4.102 -0.037 25585 1435 1 12 . 1 1 11 11 PRO CA C 11 63.988 63.988 64.153 -0.165 25585 1436 1 12 . 1 1 11 11 PRO CB C 11 32.043 32.043 31.525 0.518 25585 1437 1 12 . 1 1 12 12 VAL N N 12 119.341 119.341 115.034 4.307 25585 1438 1 12 . 1 1 12 12 VAL HA H 12 3.758 3.758 4.046 -0.288 25585 1439 1 12 . 1 1 12 12 VAL CA C 12 65.103 65.103 63.230 1.873 25585 1440 1 12 . 1 1 12 12 VAL CB C 12 31.723 31.723 32.066 -0.343 25585 1441 1 12 . 1 1 12 12 VAL H H 12 7.570 7.570 7.512 0.058 25585 1442 1 12 . 1 1 13 13 LEU N N 13 116.412 116.412 120.340 -3.928 25585 1443 1 12 . 1 1 13 13 LEU HA H 13 4.289 4.289 4.712 -0.423 25585 1444 1 12 . 1 1 13 13 LEU CA C 13 55.820 55.820 55.377 0.443 25585 1445 1 12 . 1 1 13 13 LEU CB C 13 43.984 43.984 44.635 -0.651 25585 1446 1 12 . 1 1 13 13 LEU H H 13 6.902 6.902 7.726 -0.824 25585 1447 1 12 . 1 1 14 14 GLY N N 14 108.651 108.651 107.276 1.375 25585 1448 1 12 . 1 1 14 14 GLY CA C 14 46.243 46.243 45.114 1.129 25585 1449 1 12 . 1 1 14 14 GLY H H 14 8.387 8.387 8.605 -0.218 25585 1450 1 12 . 1 1 15 15 ILE N N 15 109.703 109.703 114.070 -4.367 25585 1451 1 12 . 1 1 15 15 ILE HA H 15 4.829 4.829 4.803 0.026 25585 1452 1 12 . 1 1 15 15 ILE CA C 15 58.677 58.677 58.895 -0.218 25585 1453 1 12 . 1 1 15 15 ILE CB C 15 43.373 43.373 40.431 2.942 25585 1454 1 12 . 1 1 15 15 ILE H H 15 6.727 6.727 7.312 -0.585 25585 1455 1 12 . 1 1 16 16 CYS N N 16 120.648 120.648 120.698 -0.050 25585 1456 1 12 . 1 1 16 16 CYS HA H 16 5.192 5.192 5.281 -0.089 25585 1457 1 12 . 1 1 16 16 CYS CA C 16 55.993 55.993 58.203 -2.210 25585 1458 1 12 . 1 1 16 16 CYS CB C 16 43.124 43.124 26.961 16.163 25585 1459 1 12 . 1 1 16 16 CYS H H 16 8.811 8.811 8.689 0.122 25585 1460 1 12 . 1 1 17 17 THR N N 17 116.440 116.440 114.327 2.113 25585 1461 1 12 . 1 1 17 17 THR HA H 17 4.859 4.859 4.822 0.037 25585 1462 1 12 . 1 1 17 17 THR CB C 17 69.862 69.862 71.365 -1.503 25585 1463 1 12 . 1 1 17 17 THR H H 17 9.357 9.357 8.959 0.398 25585 1464 1 12 . 1 1 18 18 ILE N N 18 124.956 124.956 123.353 1.603 25585 1465 1 12 . 1 1 18 18 ILE HA H 18 3.392 3.392 3.068 0.324 25585 1466 1 12 . 1 1 18 18 ILE CA C 18 62.208 62.208 61.931 0.277 25585 1467 1 12 . 1 1 18 18 ILE CB C 18 38.935 38.935 38.286 0.649 25585 1468 1 12 . 1 1 18 18 ILE H H 18 8.493 8.493 8.346 0.147 25585 1469 1 12 . 1 1 19 19 THR N N 19 119.997 119.997 122.145 -2.148 25585 1470 1 12 . 1 1 19 19 THR HA H 19 4.331 4.331 4.439 -0.108 25585 1471 1 12 . 1 1 19 19 THR CA C 19 61.222 61.222 60.189 1.033 25585 1472 1 12 . 1 1 19 19 THR CB C 19 69.839 69.839 70.885 -1.046 25585 1473 1 12 . 1 1 19 19 THR H H 19 8.060 8.060 8.037 0.023 25585 1474 1 12 . 1 1 20 20 LEU N N 20 125.150 125.150 127.234 -2.084 25585 1475 1 12 . 1 1 20 20 LEU HA H 20 4.287 4.287 4.184 0.103 25585 1476 1 12 . 1 1 20 20 LEU CA C 20 56.119 56.119 57.538 -1.419 25585 1477 1 12 . 1 1 20 20 LEU CB C 20 42.079 42.079 42.095 -0.016 25585 1478 1 12 . 1 1 20 20 LEU H H 20 8.354 8.354 8.678 -0.324 25585 1479 1 12 . 1 1 21 21 SER N N 21 115.796 115.796 114.341 1.455 25585 1480 1 12 . 1 1 21 21 SER HA H 21 4.350 4.350 4.262 0.088 25585 1481 1 12 . 1 1 21 21 SER CA C 21 58.899 58.899 60.747 -1.848 25585 1482 1 12 . 1 1 21 21 SER CB C 21 63.363 63.363 62.966 0.397 25585 1483 1 12 . 1 1 21 21 SER H H 21 8.274 8.274 8.059 0.215 25585 1484 1 12 . 1 1 22 22 ARG N N 22 122.561 122.561 122.145 0.416 25585 1485 1 12 . 1 1 22 22 ARG HA H 22 4.289 4.289 4.057 0.232 25585 1486 1 12 . 1 1 22 22 ARG CA C 22 54.946 54.946 58.189 -3.243 25585 1487 1 12 . 1 1 22 22 ARG CB C 22 30.369 30.369 30.036 0.333 25585 1488 1 12 . 1 1 22 22 ARG H H 22 8.149 8.149 7.560 0.589 25585 1489 1 12 . 1 1 23 23 ILE N N 23 121.335 121.335 119.216 2.119 25585 1490 1 12 . 1 1 23 23 ILE HA H 23 4.001 4.001 3.778 0.223 25585 1491 1 12 . 1 1 23 23 ILE CA C 23 61.671 61.671 63.984 -2.313 25585 1492 1 12 . 1 1 23 23 ILE CB C 23 38.383 38.383 38.200 0.183 25585 1493 1 12 . 1 1 23 23 ILE H H 23 8.002 8.002 7.970 0.032 25585 1494 1 12 . 1 1 24 24 GLU N N 24 122.372 122.372 114.799 7.573 25585 1495 1 12 . 1 1 24 24 GLU HA H 24 4.209 4.209 4.266 -0.057 25585 1496 1 12 . 1 1 24 24 GLU CA C 24 56.115 56.115 56.184 -0.069 25585 1497 1 12 . 1 1 24 24 GLU CB C 24 29.306 29.306 31.276 -1.970 25585 1498 1 12 . 1 1 24 24 GLU H H 24 8.317 8.317 8.624 -0.307 25585 1499 1 12 . 1 1 25 25 HIS N N 25 118.365 118.365 113.852 4.513 25585 1500 1 12 . 1 1 25 25 HIS HA H 25 5.022 5.022 4.841 0.181 25585 1501 1 12 . 1 1 25 25 HIS CA C 25 52.772 52.772 53.574 -0.802 25585 1502 1 12 . 1 1 25 25 HIS CB C 25 28.551 28.551 29.529 -0.978 25585 1503 1 12 . 1 1 25 25 HIS H H 25 8.323 8.323 7.645 0.678 25585 1504 1 12 . 1 1 26 26 PRO HA H 26 4.468 4.468 4.443 0.025 25585 1505 1 12 . 1 1 26 26 PRO CA C 26 63.834 63.834 64.927 -1.093 25585 1506 1 12 . 1 1 26 26 PRO CB C 26 31.936 31.936 32.053 -0.117 25585 1507 1 12 . 1 1 27 27 GLY N N 27 108.880 108.880 105.868 3.012 25585 1508 1 12 . 1 1 27 27 GLY CA C 27 45.212 45.212 44.957 0.255 25585 1509 1 12 . 1 1 27 27 GLY H H 27 8.594 8.594 8.559 0.035 25585 1510 1 12 . 1 1 28 28 ASN N N 28 118.144 118.144 117.085 1.059 25585 1511 1 12 . 1 1 28 28 ASN HA H 28 4.665 4.665 3.287 1.378 25585 1512 1 12 . 1 1 28 28 ASN CA C 28 52.967 52.967 52.746 0.221 25585 1513 1 12 . 1 1 28 28 ASN CB C 28 38.579 38.579 37.482 1.097 25585 1514 1 12 . 1 1 28 28 ASN H H 28 8.154 8.154 8.334 -0.180 25585 1515 1 12 . 1 1 29 29 TYR N N 29 119.962 119.962 118.399 1.563 25585 1516 1 12 . 1 1 29 29 TYR HA H 29 4.520 4.520 4.791 -0.271 25585 1517 1 12 . 1 1 29 29 TYR CA C 29 57.544 57.544 54.840 2.704 25585 1518 1 12 . 1 1 29 29 TYR CB C 29 39.011 39.011 36.433 2.578 25585 1519 1 12 . 1 1 29 29 TYR H H 29 8.058 8.058 7.025 1.033 25585 1520 1 12 . 1 1 30 30 ASP N N 30 120.874 120.874 120.948 -0.074 25585 1521 1 12 . 1 1 30 30 ASP HA H 30 4.679 4.679 4.436 0.243 25585 1522 1 12 . 1 1 30 30 ASP CA C 30 52.827 52.827 53.773 -0.945 25585 1523 1 12 . 1 1 30 30 ASP CB C 30 38.567 38.567 40.355 -1.788 25585 1524 1 12 . 1 1 30 30 ASP H H 30 8.226 8.226 8.439 -0.213 25585 1525 1 13 . 1 1 3 3 CYS N N 3 120.614 120.614 123.623 -3.009 25585 1526 1 13 . 1 1 3 3 CYS HA H 3 4.799 4.799 4.529 0.270 25585 1527 1 13 . 1 1 3 3 CYS CA C 3 51.792 51.792 57.812 -6.020 25585 1528 1 13 . 1 1 3 3 CYS CB C 3 42.170 42.170 29.748 12.422 25585 1529 1 13 . 1 1 3 3 CYS H H 3 7.958 7.958 7.570 0.388 25585 1530 1 13 . 1 1 4 4 GLN N N 4 121.450 121.450 121.005 0.445 25585 1531 1 13 . 1 1 4 4 GLN HA H 4 4.180 4.180 4.135 0.045 25585 1532 1 13 . 1 1 4 4 GLN CA C 4 54.557 54.557 53.046 1.511 25585 1533 1 13 . 1 1 4 4 GLN CB C 4 27.191 27.191 28.411 -1.220 25585 1534 1 13 . 1 1 4 4 GLN H H 4 8.737 8.737 8.178 0.559 25585 1535 1 13 . 1 1 5 5 PRO HA H 5 4.409 4.409 4.255 0.154 25585 1536 1 13 . 1 1 5 5 PRO CA C 5 64.354 64.354 64.254 0.100 25585 1537 1 13 . 1 1 5 5 PRO CB C 5 31.710 31.710 31.490 0.220 25585 1538 1 13 . 1 1 6 6 GLY N N 6 111.865 111.865 110.328 1.537 25585 1539 1 13 . 1 1 6 6 GLY CA C 6 45.063 45.063 45.545 -0.482 25585 1540 1 13 . 1 1 6 6 GLY H H 6 8.948 8.948 8.793 0.155 25585 1541 1 13 . 1 1 7 7 TYR N N 7 120.136 120.136 119.589 0.547 25585 1542 1 13 . 1 1 7 7 TYR HA H 7 5.057 5.057 4.972 0.085 25585 1543 1 13 . 1 1 7 7 TYR CA C 7 56.393 56.393 56.583 -0.190 25585 1544 1 13 . 1 1 7 7 TYR CB C 7 41.345 41.345 42.101 -0.756 25585 1545 1 13 . 1 1 7 7 TYR H H 7 8.300 8.300 7.584 0.716 25585 1546 1 13 . 1 1 8 8 ALA N N 8 121.599 121.599 122.756 -1.157 25585 1547 1 13 . 1 1 8 8 ALA HA H 8 4.686 4.686 4.690 -0.004 25585 1548 1 13 . 1 1 8 8 ALA CA C 8 50.942 50.942 50.607 0.335 25585 1549 1 13 . 1 1 8 8 ALA CB C 8 22.157 22.157 22.092 0.065 25585 1550 1 13 . 1 1 8 8 ALA H H 8 9.286 9.286 8.942 0.344 25585 1551 1 13 . 1 1 9 9 TYR N N 9 124.797 124.797 124.801 -0.004 25585 1552 1 13 . 1 1 9 9 TYR HA H 9 4.338 4.338 4.242 0.096 25585 1553 1 13 . 1 1 9 9 TYR CA C 9 59.315 59.315 58.147 1.168 25585 1554 1 13 . 1 1 9 9 TYR CB C 9 38.798 38.798 38.130 0.668 25585 1555 1 13 . 1 1 9 9 TYR H H 9 9.112 9.112 8.727 0.385 25585 1556 1 13 . 1 1 10 10 ASN N N 10 128.087 128.087 125.988 2.099 25585 1557 1 13 . 1 1 10 10 ASN HA H 10 5.079 5.079 4.889 0.190 25585 1558 1 13 . 1 1 10 10 ASN CA C 10 49.172 49.172 49.487 -0.315 25585 1559 1 13 . 1 1 10 10 ASN CB C 10 38.824 38.824 40.384 -1.560 25585 1560 1 13 . 1 1 10 10 ASN H H 10 8.210 8.210 8.704 -0.494 25585 1561 1 13 . 1 1 11 11 PRO HA H 11 4.065 4.065 4.395 -0.330 25585 1562 1 13 . 1 1 11 11 PRO CA C 11 63.988 63.988 64.203 -0.214 25585 1563 1 13 . 1 1 11 11 PRO CB C 11 32.043 32.043 31.629 0.414 25585 1564 1 13 . 1 1 12 12 VAL N N 12 119.341 119.341 116.134 3.207 25585 1565 1 13 . 1 1 12 12 VAL HA H 12 3.758 3.758 4.095 -0.337 25585 1566 1 13 . 1 1 12 12 VAL CA C 12 65.103 65.103 63.394 1.709 25585 1567 1 13 . 1 1 12 12 VAL CB C 12 31.723 31.723 31.847 -0.124 25585 1568 1 13 . 1 1 12 12 VAL H H 12 7.570 7.570 7.534 0.036 25585 1569 1 13 . 1 1 13 13 LEU N N 13 116.412 116.412 120.127 -3.715 25585 1570 1 13 . 1 1 13 13 LEU HA H 13 4.289 4.289 4.747 -0.458 25585 1571 1 13 . 1 1 13 13 LEU CA C 13 55.820 55.820 55.248 0.572 25585 1572 1 13 . 1 1 13 13 LEU CB C 13 43.984 43.984 44.455 -0.471 25585 1573 1 13 . 1 1 13 13 LEU H H 13 6.902 6.902 7.522 -0.620 25585 1574 1 13 . 1 1 14 14 GLY N N 14 108.651 108.651 107.435 1.216 25585 1575 1 13 . 1 1 14 14 GLY CA C 14 46.243 46.243 45.065 1.178 25585 1576 1 13 . 1 1 14 14 GLY H H 14 8.387 8.387 8.554 -0.167 25585 1577 1 13 . 1 1 15 15 ILE N N 15 109.703 109.703 113.751 -4.048 25585 1578 1 13 . 1 1 15 15 ILE HA H 15 4.829 4.829 4.755 0.074 25585 1579 1 13 . 1 1 15 15 ILE CA C 15 58.677 58.677 58.928 -0.251 25585 1580 1 13 . 1 1 15 15 ILE CB C 15 43.373 43.373 40.242 3.131 25585 1581 1 13 . 1 1 15 15 ILE H H 15 6.727 6.727 7.412 -0.685 25585 1582 1 13 . 1 1 16 16 CYS N N 16 120.648 120.648 120.350 0.298 25585 1583 1 13 . 1 1 16 16 CYS HA H 16 5.192 5.192 5.450 -0.258 25585 1584 1 13 . 1 1 16 16 CYS CA C 16 55.993 55.993 58.644 -2.651 25585 1585 1 13 . 1 1 16 16 CYS CB C 16 43.124 43.124 27.366 15.758 25585 1586 1 13 . 1 1 16 16 CYS H H 16 8.811 8.811 8.686 0.125 25585 1587 1 13 . 1 1 17 17 THR N N 17 116.440 116.440 115.168 1.272 25585 1588 1 13 . 1 1 17 17 THR HA H 17 4.859 4.859 4.852 0.007 25585 1589 1 13 . 1 1 17 17 THR CB C 17 69.862 69.862 71.517 -1.655 25585 1590 1 13 . 1 1 17 17 THR H H 17 9.357 9.357 9.016 0.341 25585 1591 1 13 . 1 1 18 18 ILE N N 18 124.956 124.956 124.007 0.949 25585 1592 1 13 . 1 1 18 18 ILE HA H 18 3.392 3.392 3.078 0.314 25585 1593 1 13 . 1 1 18 18 ILE CA C 18 62.208 62.208 61.964 0.244 25585 1594 1 13 . 1 1 18 18 ILE CB C 18 38.935 38.935 38.549 0.386 25585 1595 1 13 . 1 1 18 18 ILE H H 18 8.493 8.493 8.452 0.041 25585 1596 1 13 . 1 1 19 19 THR N N 19 119.997 119.997 122.506 -2.509 25585 1597 1 13 . 1 1 19 19 THR HA H 19 4.331 4.331 4.427 -0.096 25585 1598 1 13 . 1 1 19 19 THR CA C 19 61.222 61.222 59.907 1.315 25585 1599 1 13 . 1 1 19 19 THR CB C 19 69.839 69.839 70.427 -0.588 25585 1600 1 13 . 1 1 19 19 THR H H 19 8.060 8.060 8.278 -0.218 25585 1601 1 13 . 1 1 20 20 LEU N N 20 125.150 125.150 122.493 2.657 25585 1602 1 13 . 1 1 20 20 LEU HA H 20 4.287 4.287 4.381 -0.094 25585 1603 1 13 . 1 1 20 20 LEU CA C 20 56.119 56.119 55.810 0.309 25585 1604 1 13 . 1 1 20 20 LEU CB C 20 42.079 42.079 40.880 1.199 25585 1605 1 13 . 1 1 20 20 LEU H H 20 8.354 8.354 8.627 -0.273 25585 1606 1 13 . 1 1 21 21 SER N N 21 115.796 115.796 112.077 3.719 25585 1607 1 13 . 1 1 21 21 SER HA H 21 4.350 4.350 4.047 0.303 25585 1608 1 13 . 1 1 21 21 SER CA C 21 58.899 58.899 58.634 0.265 25585 1609 1 13 . 1 1 21 21 SER CB C 21 63.363 63.363 63.001 0.362 25585 1610 1 13 . 1 1 21 21 SER H H 21 8.274 8.274 7.483 0.791 25585 1611 1 13 . 1 1 22 22 ARG N N 22 122.561 122.561 120.409 2.152 25585 1612 1 13 . 1 1 22 22 ARG HA H 22 4.289 4.289 4.541 -0.252 25585 1613 1 13 . 1 1 22 22 ARG CA C 22 54.946 54.946 57.233 -2.287 25585 1614 1 13 . 1 1 22 22 ARG CB C 22 30.369 30.369 32.022 -1.653 25585 1615 1 13 . 1 1 22 22 ARG H H 22 8.149 8.149 7.686 0.463 25585 1616 1 13 . 1 1 23 23 ILE N N 23 121.335 121.335 121.692 -0.357 25585 1617 1 13 . 1 1 23 23 ILE HA H 23 4.001 4.001 3.769 0.232 25585 1618 1 13 . 1 1 23 23 ILE CA C 23 61.671 61.671 65.052 -3.381 25585 1619 1 13 . 1 1 23 23 ILE CB C 23 38.383 38.383 38.298 0.085 25585 1620 1 13 . 1 1 23 23 ILE H H 23 8.002 8.002 7.637 0.365 25585 1621 1 13 . 1 1 24 24 GLU N N 24 122.372 122.372 118.201 4.171 25585 1622 1 13 . 1 1 24 24 GLU HA H 24 4.209 4.209 4.164 0.045 25585 1623 1 13 . 1 1 24 24 GLU CA C 24 56.115 56.115 55.469 0.646 25585 1624 1 13 . 1 1 24 24 GLU CB C 24 29.306 29.306 29.063 0.243 25585 1625 1 13 . 1 1 24 24 GLU H H 24 8.317 8.317 8.121 0.196 25585 1626 1 13 . 1 1 25 25 HIS N N 25 118.365 118.365 114.717 3.648 25585 1627 1 13 . 1 1 25 25 HIS HA H 25 5.022 5.022 4.994 0.028 25585 1628 1 13 . 1 1 25 25 HIS CA C 25 52.772 52.772 54.045 -1.273 25585 1629 1 13 . 1 1 25 25 HIS CB C 25 28.551 28.551 27.740 0.811 25585 1630 1 13 . 1 1 25 25 HIS H H 25 8.323 8.323 7.514 0.809 25585 1631 1 13 . 1 1 26 26 PRO HA H 26 4.468 4.468 4.329 0.139 25585 1632 1 13 . 1 1 26 26 PRO CA C 26 63.834 63.834 64.950 -1.116 25585 1633 1 13 . 1 1 26 26 PRO CB C 26 31.936 31.936 32.160 -0.224 25585 1634 1 13 . 1 1 27 27 GLY N N 27 108.880 108.880 103.615 5.265 25585 1635 1 13 . 1 1 27 27 GLY CA C 27 45.212 45.212 45.165 0.047 25585 1636 1 13 . 1 1 27 27 GLY H H 27 8.594 8.594 8.627 -0.033 25585 1637 1 13 . 1 1 28 28 ASN N N 28 118.144 118.144 117.139 1.005 25585 1638 1 13 . 1 1 28 28 ASN HA H 28 4.665 4.665 4.239 0.426 25585 1639 1 13 . 1 1 28 28 ASN CA C 28 52.967 52.967 53.352 -0.385 25585 1640 1 13 . 1 1 28 28 ASN CB C 28 38.579 38.579 37.465 1.114 25585 1641 1 13 . 1 1 28 28 ASN H H 28 8.154 8.154 7.952 0.202 25585 1642 1 13 . 1 1 29 29 TYR N N 29 119.962 119.962 115.301 4.661 25585 1643 1 13 . 1 1 29 29 TYR HA H 29 4.520 4.520 4.868 -0.348 25585 1644 1 13 . 1 1 29 29 TYR CA C 29 57.544 57.544 54.364 3.180 25585 1645 1 13 . 1 1 29 29 TYR CB C 29 39.011 39.011 36.314 2.697 25585 1646 1 13 . 1 1 29 29 TYR H H 29 8.058 8.058 7.240 0.818 25585 1647 1 13 . 1 1 30 30 ASP N N 30 120.874 120.874 122.241 -1.367 25585 1648 1 13 . 1 1 30 30 ASP HA H 30 4.679 4.679 4.269 0.410 25585 1649 1 13 . 1 1 30 30 ASP CA C 30 52.827 52.827 55.016 -2.189 25585 1650 1 13 . 1 1 30 30 ASP CB C 30 38.567 38.567 41.148 -2.581 25585 1651 1 13 . 1 1 30 30 ASP H H 30 8.226 8.226 8.360 -0.134 25585 1652 1 14 . 1 1 3 3 CYS N N 3 120.614 120.614 124.066 -3.452 25585 1653 1 14 . 1 1 3 3 CYS HA H 3 4.799 4.799 4.556 0.243 25585 1654 1 14 . 1 1 3 3 CYS CA C 3 51.792 51.792 57.255 -5.463 25585 1655 1 14 . 1 1 3 3 CYS CB C 3 42.170 42.170 30.012 12.158 25585 1656 1 14 . 1 1 3 3 CYS H H 3 7.958 7.958 7.619 0.339 25585 1657 1 14 . 1 1 4 4 GLN N N 4 121.450 121.450 120.920 0.530 25585 1658 1 14 . 1 1 4 4 GLN HA H 4 4.180 4.180 4.124 0.056 25585 1659 1 14 . 1 1 4 4 GLN CA C 4 54.557 54.557 53.039 1.518 25585 1660 1 14 . 1 1 4 4 GLN CB C 4 27.191 27.191 28.397 -1.206 25585 1661 1 14 . 1 1 4 4 GLN H H 4 8.737 8.737 8.172 0.565 25585 1662 1 14 . 1 1 5 5 PRO HA H 5 4.409 4.409 4.173 0.236 25585 1663 1 14 . 1 1 5 5 PRO CA C 5 64.354 64.354 64.405 -0.051 25585 1664 1 14 . 1 1 5 5 PRO CB C 5 31.710 31.710 31.659 0.051 25585 1665 1 14 . 1 1 6 6 GLY N N 6 111.865 111.865 109.792 2.073 25585 1666 1 14 . 1 1 6 6 GLY CA C 6 45.063 45.063 45.490 -0.428 25585 1667 1 14 . 1 1 6 6 GLY H H 6 8.948 8.948 8.676 0.272 25585 1668 1 14 . 1 1 7 7 TYR N N 7 120.136 120.136 119.632 0.504 25585 1669 1 14 . 1 1 7 7 TYR HA H 7 5.057 5.057 5.124 -0.067 25585 1670 1 14 . 1 1 7 7 TYR CA C 7 56.393 56.393 56.479 -0.086 25585 1671 1 14 . 1 1 7 7 TYR CB C 7 41.345 41.345 42.177 -0.832 25585 1672 1 14 . 1 1 7 7 TYR H H 7 8.300 8.300 7.646 0.654 25585 1673 1 14 . 1 1 8 8 ALA N N 8 121.599 121.599 122.638 -1.039 25585 1674 1 14 . 1 1 8 8 ALA HA H 8 4.686 4.686 4.683 0.003 25585 1675 1 14 . 1 1 8 8 ALA CA C 8 50.942 50.942 50.705 0.237 25585 1676 1 14 . 1 1 8 8 ALA CB C 8 22.157 22.157 22.165 -0.008 25585 1677 1 14 . 1 1 8 8 ALA H H 8 9.286 9.286 8.906 0.380 25585 1678 1 14 . 1 1 9 9 TYR N N 9 124.797 124.797 124.155 0.642 25585 1679 1 14 . 1 1 9 9 TYR HA H 9 4.338 4.338 4.244 0.094 25585 1680 1 14 . 1 1 9 9 TYR CA C 9 59.315 59.315 58.500 0.815 25585 1681 1 14 . 1 1 9 9 TYR CB C 9 38.798 38.798 38.268 0.530 25585 1682 1 14 . 1 1 9 9 TYR H H 9 9.112 9.112 8.704 0.408 25585 1683 1 14 . 1 1 10 10 ASN N N 10 128.087 128.087 125.665 2.422 25585 1684 1 14 . 1 1 10 10 ASN HA H 10 5.079 5.079 4.931 0.148 25585 1685 1 14 . 1 1 10 10 ASN CA C 10 49.172 49.172 49.505 -0.333 25585 1686 1 14 . 1 1 10 10 ASN CB C 10 38.824 38.824 40.028 -1.204 25585 1687 1 14 . 1 1 10 10 ASN H H 10 8.210 8.210 8.417 -0.207 25585 1688 1 14 . 1 1 11 11 PRO HA H 11 4.065 4.065 4.110 -0.045 25585 1689 1 14 . 1 1 11 11 PRO CA C 11 63.988 63.988 64.311 -0.323 25585 1690 1 14 . 1 1 11 11 PRO CB C 11 32.043 32.043 31.520 0.523 25585 1691 1 14 . 1 1 12 12 VAL N N 12 119.341 119.341 115.408 3.933 25585 1692 1 14 . 1 1 12 12 VAL HA H 12 3.758 3.758 4.068 -0.310 25585 1693 1 14 . 1 1 12 12 VAL CA C 12 65.103 65.103 63.526 1.577 25585 1694 1 14 . 1 1 12 12 VAL CB C 12 31.723 31.723 31.912 -0.189 25585 1695 1 14 . 1 1 12 12 VAL H H 12 7.570 7.570 7.483 0.087 25585 1696 1 14 . 1 1 13 13 LEU N N 13 116.412 116.412 120.060 -3.648 25585 1697 1 14 . 1 1 13 13 LEU HA H 13 4.289 4.289 4.739 -0.450 25585 1698 1 14 . 1 1 13 13 LEU CA C 13 55.820 55.820 55.197 0.623 25585 1699 1 14 . 1 1 13 13 LEU CB C 13 43.984 43.984 44.472 -0.488 25585 1700 1 14 . 1 1 13 13 LEU H H 13 6.902 6.902 7.709 -0.807 25585 1701 1 14 . 1 1 14 14 GLY N N 14 108.651 108.651 107.124 1.527 25585 1702 1 14 . 1 1 14 14 GLY CA C 14 46.243 46.243 45.154 1.089 25585 1703 1 14 . 1 1 14 14 GLY H H 14 8.387 8.387 8.576 -0.189 25585 1704 1 14 . 1 1 15 15 ILE N N 15 109.703 109.703 113.966 -4.263 25585 1705 1 14 . 1 1 15 15 ILE HA H 15 4.829 4.829 4.792 0.037 25585 1706 1 14 . 1 1 15 15 ILE CA C 15 58.677 58.677 58.911 -0.234 25585 1707 1 14 . 1 1 15 15 ILE CB C 15 43.373 43.373 40.392 2.981 25585 1708 1 14 . 1 1 15 15 ILE H H 15 6.727 6.727 7.305 -0.578 25585 1709 1 14 . 1 1 16 16 CYS N N 16 120.648 120.648 119.826 0.822 25585 1710 1 14 . 1 1 16 16 CYS HA H 16 5.192 5.192 5.284 -0.092 25585 1711 1 14 . 1 1 16 16 CYS CA C 16 55.993 55.993 58.495 -2.502 25585 1712 1 14 . 1 1 16 16 CYS CB C 16 43.124 43.124 27.449 15.675 25585 1713 1 14 . 1 1 16 16 CYS H H 16 8.811 8.811 8.719 0.092 25585 1714 1 14 . 1 1 17 17 THR N N 17 116.440 116.440 115.552 0.888 25585 1715 1 14 . 1 1 17 17 THR HA H 17 4.859 4.859 4.832 0.027 25585 1716 1 14 . 1 1 17 17 THR CB C 17 69.862 69.862 71.064 -1.202 25585 1717 1 14 . 1 1 17 17 THR H H 17 9.357 9.357 9.230 0.127 25585 1718 1 14 . 1 1 18 18 ILE N N 18 124.956 124.956 123.244 1.712 25585 1719 1 14 . 1 1 18 18 ILE HA H 18 3.392 3.392 3.048 0.344 25585 1720 1 14 . 1 1 18 18 ILE CA C 18 62.208 62.208 61.739 0.470 25585 1721 1 14 . 1 1 18 18 ILE CB C 18 38.935 38.935 38.197 0.738 25585 1722 1 14 . 1 1 18 18 ILE H H 18 8.493 8.493 8.337 0.156 25585 1723 1 14 . 1 1 19 19 THR N N 19 119.997 119.997 122.378 -2.381 25585 1724 1 14 . 1 1 19 19 THR HA H 19 4.331 4.331 4.408 -0.077 25585 1725 1 14 . 1 1 19 19 THR CA C 19 61.222 61.222 60.027 1.195 25585 1726 1 14 . 1 1 19 19 THR CB C 19 69.839 69.839 70.449 -0.610 25585 1727 1 14 . 1 1 19 19 THR H H 19 8.060 8.060 8.221 -0.161 25585 1728 1 14 . 1 1 20 20 LEU N N 20 125.150 125.150 126.309 -1.159 25585 1729 1 14 . 1 1 20 20 LEU HA H 20 4.287 4.287 4.175 0.112 25585 1730 1 14 . 1 1 20 20 LEU CA C 20 56.119 56.119 56.959 -0.840 25585 1731 1 14 . 1 1 20 20 LEU CB C 20 42.079 42.079 41.269 0.810 25585 1732 1 14 . 1 1 20 20 LEU H H 20 8.354 8.354 8.763 -0.409 25585 1733 1 14 . 1 1 21 21 SER N N 21 115.796 115.796 113.614 2.182 25585 1734 1 14 . 1 1 21 21 SER HA H 21 4.350 4.350 3.867 0.483 25585 1735 1 14 . 1 1 21 21 SER CA C 21 58.899 58.899 61.119 -2.220 25585 1736 1 14 . 1 1 21 21 SER CB C 21 63.363 63.363 63.051 0.312 25585 1737 1 14 . 1 1 21 21 SER H H 21 8.274 8.274 7.934 0.340 25585 1738 1 14 . 1 1 22 22 ARG N N 22 122.561 122.561 119.857 2.704 25585 1739 1 14 . 1 1 22 22 ARG HA H 22 4.289 4.289 4.034 0.255 25585 1740 1 14 . 1 1 22 22 ARG CA C 22 54.946 54.946 58.108 -3.162 25585 1741 1 14 . 1 1 22 22 ARG CB C 22 30.369 30.369 30.254 0.115 25585 1742 1 14 . 1 1 22 22 ARG H H 22 8.149 8.149 7.569 0.580 25585 1743 1 14 . 1 1 23 23 ILE N N 23 121.335 121.335 118.419 2.916 25585 1744 1 14 . 1 1 23 23 ILE HA H 23 4.001 4.001 3.793 0.208 25585 1745 1 14 . 1 1 23 23 ILE CA C 23 61.671 61.671 63.767 -2.096 25585 1746 1 14 . 1 1 23 23 ILE CB C 23 38.383 38.383 37.355 1.028 25585 1747 1 14 . 1 1 23 23 ILE H H 23 8.002 8.002 7.719 0.283 25585 1748 1 14 . 1 1 24 24 GLU N N 24 122.372 122.372 114.424 7.948 25585 1749 1 14 . 1 1 24 24 GLU HA H 24 4.209 4.209 4.193 0.016 25585 1750 1 14 . 1 1 24 24 GLU CA C 24 56.115 56.115 54.583 1.532 25585 1751 1 14 . 1 1 24 24 GLU CB C 24 29.306 29.306 31.489 -2.183 25585 1752 1 14 . 1 1 24 24 GLU H H 24 8.317 8.317 8.212 0.105 25585 1753 1 14 . 1 1 25 25 HIS N N 25 118.365 118.365 115.555 2.810 25585 1754 1 14 . 1 1 25 25 HIS HA H 25 5.022 5.022 4.515 0.507 25585 1755 1 14 . 1 1 25 25 HIS CA C 25 52.772 52.772 56.110 -3.338 25585 1756 1 14 . 1 1 25 25 HIS CB C 25 28.551 28.551 28.014 0.537 25585 1757 1 14 . 1 1 25 25 HIS H H 25 8.323 8.323 8.279 0.044 25585 1758 1 14 . 1 1 26 26 PRO HA H 26 4.468 4.468 4.413 0.055 25585 1759 1 14 . 1 1 26 26 PRO CA C 26 63.834 63.834 66.062 -2.228 25585 1760 1 14 . 1 1 26 26 PRO CB C 26 31.936 31.936 31.730 0.206 25585 1761 1 14 . 1 1 27 27 GLY N N 27 108.880 108.880 103.810 5.070 25585 1762 1 14 . 1 1 27 27 GLY CA C 27 45.212 45.212 46.851 -1.639 25585 1763 1 14 . 1 1 27 27 GLY H H 27 8.594 8.594 8.730 -0.136 25585 1764 1 14 . 1 1 28 28 ASN N N 28 118.144 118.144 117.965 0.179 25585 1765 1 14 . 1 1 28 28 ASN HA H 28 4.665 4.665 4.656 0.009 25585 1766 1 14 . 1 1 28 28 ASN CA C 28 52.967 52.967 54.319 -1.352 25585 1767 1 14 . 1 1 28 28 ASN CB C 28 38.579 38.579 38.952 -0.373 25585 1768 1 14 . 1 1 28 28 ASN H H 28 8.154 8.154 8.105 0.049 25585 1769 1 14 . 1 1 29 29 TYR N N 29 119.962 119.962 119.397 0.565 25585 1770 1 14 . 1 1 29 29 TYR HA H 29 4.520 4.520 4.523 -0.003 25585 1771 1 14 . 1 1 29 29 TYR CA C 29 57.544 57.544 60.203 -2.659 25585 1772 1 14 . 1 1 29 29 TYR CB C 29 39.011 39.011 37.861 1.150 25585 1773 1 14 . 1 1 29 29 TYR H H 29 8.058 8.058 7.723 0.335 25585 1774 1 14 . 1 1 30 30 ASP N N 30 120.874 120.874 118.373 2.501 25585 1775 1 14 . 1 1 30 30 ASP HA H 30 4.679 4.679 4.502 0.177 25585 1776 1 14 . 1 1 30 30 ASP CA C 30 52.827 52.827 53.915 -1.088 25585 1777 1 14 . 1 1 30 30 ASP CB C 30 38.567 38.567 39.687 -1.120 25585 1778 1 14 . 1 1 30 30 ASP H H 30 8.226 8.226 8.013 0.213 25585 1779 1 15 . 1 1 3 3 CYS N N 3 120.614 120.614 123.983 -3.369 25585 1780 1 15 . 1 1 3 3 CYS HA H 3 4.799 4.799 4.544 0.255 25585 1781 1 15 . 1 1 3 3 CYS CA C 3 51.792 51.792 57.215 -5.423 25585 1782 1 15 . 1 1 3 3 CYS CB C 3 42.170 42.170 30.173 11.997 25585 1783 1 15 . 1 1 3 3 CYS H H 3 7.958 7.958 7.620 0.338 25585 1784 1 15 . 1 1 4 4 GLN N N 4 121.450 121.450 120.681 0.769 25585 1785 1 15 . 1 1 4 4 GLN HA H 4 4.180 4.180 4.129 0.051 25585 1786 1 15 . 1 1 4 4 GLN CA C 4 54.557 54.557 53.048 1.509 25585 1787 1 15 . 1 1 4 4 GLN CB C 4 27.191 27.191 28.400 -1.209 25585 1788 1 15 . 1 1 4 4 GLN H H 4 8.737 8.737 8.146 0.591 25585 1789 1 15 . 1 1 5 5 PRO HA H 5 4.409 4.409 4.215 0.194 25585 1790 1 15 . 1 1 5 5 PRO CA C 5 64.354 64.354 64.201 0.153 25585 1791 1 15 . 1 1 5 5 PRO CB C 5 31.710 31.710 31.775 -0.065 25585 1792 1 15 . 1 1 6 6 GLY N N 6 111.865 111.865 110.849 1.016 25585 1793 1 15 . 1 1 6 6 GLY CA C 6 45.063 45.063 45.991 -0.928 25585 1794 1 15 . 1 1 6 6 GLY H H 6 8.948 8.948 8.689 0.259 25585 1795 1 15 . 1 1 7 7 TYR N N 7 120.136 120.136 119.663 0.473 25585 1796 1 15 . 1 1 7 7 TYR HA H 7 5.057 5.057 5.114 -0.057 25585 1797 1 15 . 1 1 7 7 TYR CA C 7 56.393 56.393 56.420 -0.027 25585 1798 1 15 . 1 1 7 7 TYR CB C 7 41.345 41.345 42.148 -0.803 25585 1799 1 15 . 1 1 7 7 TYR H H 7 8.300 8.300 7.621 0.679 25585 1800 1 15 . 1 1 8 8 ALA N N 8 121.599 121.599 121.303 0.296 25585 1801 1 15 . 1 1 8 8 ALA HA H 8 4.686 4.686 4.653 0.033 25585 1802 1 15 . 1 1 8 8 ALA CA C 8 50.942 50.942 50.941 0.001 25585 1803 1 15 . 1 1 8 8 ALA CB C 8 22.157 22.157 22.021 0.136 25585 1804 1 15 . 1 1 8 8 ALA H H 8 9.286 9.286 8.889 0.397 25585 1805 1 15 . 1 1 9 9 TYR N N 9 124.797 124.797 122.660 2.137 25585 1806 1 15 . 1 1 9 9 TYR HA H 9 4.338 4.338 4.306 0.032 25585 1807 1 15 . 1 1 9 9 TYR CA C 9 59.315 59.315 57.794 1.521 25585 1808 1 15 . 1 1 9 9 TYR CB C 9 38.798 38.798 38.539 0.259 25585 1809 1 15 . 1 1 9 9 TYR H H 9 9.112 9.112 8.625 0.487 25585 1810 1 15 . 1 1 10 10 ASN N N 10 128.087 128.087 125.567 2.520 25585 1811 1 15 . 1 1 10 10 ASN HA H 10 5.079 5.079 4.940 0.139 25585 1812 1 15 . 1 1 10 10 ASN CA C 10 49.172 49.172 49.522 -0.350 25585 1813 1 15 . 1 1 10 10 ASN CB C 10 38.824 38.824 40.029 -1.205 25585 1814 1 15 . 1 1 10 10 ASN H H 10 8.210 8.210 8.471 -0.261 25585 1815 1 15 . 1 1 11 11 PRO HA H 11 4.065 4.065 4.081 -0.016 25585 1816 1 15 . 1 1 11 11 PRO CA C 11 63.988 63.988 63.972 0.016 25585 1817 1 15 . 1 1 11 11 PRO CB C 11 32.043 32.043 31.492 0.551 25585 1818 1 15 . 1 1 12 12 VAL N N 12 119.341 119.341 115.534 3.807 25585 1819 1 15 . 1 1 12 12 VAL HA H 12 3.758 3.758 4.084 -0.326 25585 1820 1 15 . 1 1 12 12 VAL CA C 12 65.103 65.103 63.336 1.767 25585 1821 1 15 . 1 1 12 12 VAL CB C 12 31.723 31.723 31.651 0.072 25585 1822 1 15 . 1 1 12 12 VAL H H 12 7.570 7.570 7.461 0.109 25585 1823 1 15 . 1 1 13 13 LEU N N 13 116.412 116.412 120.254 -3.842 25585 1824 1 15 . 1 1 13 13 LEU HA H 13 4.289 4.289 4.676 -0.387 25585 1825 1 15 . 1 1 13 13 LEU CA C 13 55.820 55.820 55.319 0.501 25585 1826 1 15 . 1 1 13 13 LEU CB C 13 43.984 43.984 44.680 -0.696 25585 1827 1 15 . 1 1 13 13 LEU H H 13 6.902 6.902 7.706 -0.804 25585 1828 1 15 . 1 1 14 14 GLY N N 14 108.651 108.651 107.360 1.291 25585 1829 1 15 . 1 1 14 14 GLY CA C 14 46.243 46.243 45.119 1.124 25585 1830 1 15 . 1 1 14 14 GLY H H 14 8.387 8.387 8.582 -0.195 25585 1831 1 15 . 1 1 15 15 ILE N N 15 109.703 109.703 114.233 -4.530 25585 1832 1 15 . 1 1 15 15 ILE HA H 15 4.829 4.829 4.811 0.018 25585 1833 1 15 . 1 1 15 15 ILE CA C 15 58.677 58.677 58.877 -0.201 25585 1834 1 15 . 1 1 15 15 ILE CB C 15 43.373 43.373 40.433 2.940 25585 1835 1 15 . 1 1 15 15 ILE H H 15 6.727 6.727 7.303 -0.576 25585 1836 1 15 . 1 1 16 16 CYS N N 16 120.648 120.648 119.801 0.847 25585 1837 1 15 . 1 1 16 16 CYS HA H 16 5.192 5.192 5.299 -0.107 25585 1838 1 15 . 1 1 16 16 CYS CA C 16 55.993 55.993 58.438 -2.445 25585 1839 1 15 . 1 1 16 16 CYS CB C 16 43.124 43.124 27.530 15.594 25585 1840 1 15 . 1 1 16 16 CYS H H 16 8.811 8.811 8.698 0.113 25585 1841 1 15 . 1 1 17 17 THR N N 17 116.440 116.440 115.559 0.881 25585 1842 1 15 . 1 1 17 17 THR HA H 17 4.859 4.859 4.841 0.018 25585 1843 1 15 . 1 1 17 17 THR CB C 17 69.862 69.862 71.116 -1.254 25585 1844 1 15 . 1 1 17 17 THR H H 17 9.357 9.357 9.197 0.161 25585 1845 1 15 . 1 1 18 18 ILE N N 18 124.956 124.956 123.717 1.239 25585 1846 1 15 . 1 1 18 18 ILE HA H 18 3.392 3.392 3.099 0.293 25585 1847 1 15 . 1 1 18 18 ILE CA C 18 62.208 62.208 61.682 0.526 25585 1848 1 15 . 1 1 18 18 ILE CB C 18 38.935 38.935 38.517 0.418 25585 1849 1 15 . 1 1 18 18 ILE H H 18 8.493 8.493 8.416 0.077 25585 1850 1 15 . 1 1 19 19 THR N N 19 119.997 119.997 123.126 -3.129 25585 1851 1 15 . 1 1 19 19 THR HA H 19 4.331 4.331 4.472 -0.141 25585 1852 1 15 . 1 1 19 19 THR CA C 19 61.222 61.222 59.977 1.245 25585 1853 1 15 . 1 1 19 19 THR CB C 19 69.839 69.839 70.303 -0.464 25585 1854 1 15 . 1 1 19 19 THR H H 19 8.060 8.060 8.259 -0.199 25585 1855 1 15 . 1 1 20 20 LEU N N 20 125.150 125.150 124.233 0.917 25585 1856 1 15 . 1 1 20 20 LEU HA H 20 4.287 4.287 3.998 0.289 25585 1857 1 15 . 1 1 20 20 LEU CA C 20 56.119 56.119 57.258 -1.139 25585 1858 1 15 . 1 1 20 20 LEU CB C 20 42.079 42.079 41.811 0.268 25585 1859 1 15 . 1 1 20 20 LEU H H 20 8.354 8.354 8.635 -0.281 25585 1860 1 15 . 1 1 21 21 SER N N 21 115.796 115.796 115.342 0.454 25585 1861 1 15 . 1 1 21 21 SER HA H 21 4.350 4.350 4.354 -0.004 25585 1862 1 15 . 1 1 21 21 SER CA C 21 58.899 58.899 61.132 -2.233 25585 1863 1 15 . 1 1 21 21 SER CB C 21 63.363 63.363 62.832 0.531 25585 1864 1 15 . 1 1 21 21 SER H H 21 8.274 8.274 8.089 0.185 25585 1865 1 15 . 1 1 22 22 ARG N N 22 122.561 122.561 121.160 1.401 25585 1866 1 15 . 1 1 22 22 ARG HA H 22 4.289 4.289 4.194 0.095 25585 1867 1 15 . 1 1 22 22 ARG CA C 22 54.946 54.946 58.299 -3.353 25585 1868 1 15 . 1 1 22 22 ARG CB C 22 30.369 30.369 30.329 0.040 25585 1869 1 15 . 1 1 22 22 ARG H H 22 8.149 8.149 7.463 0.686 25585 1870 1 15 . 1 1 23 23 ILE N N 23 121.335 121.335 117.920 3.415 25585 1871 1 15 . 1 1 23 23 ILE HA H 23 4.001 4.001 4.208 -0.207 25585 1872 1 15 . 1 1 23 23 ILE CA C 23 61.671 61.671 60.860 0.811 25585 1873 1 15 . 1 1 23 23 ILE CB C 23 38.383 38.383 38.285 0.098 25585 1874 1 15 . 1 1 23 23 ILE H H 23 8.002 8.002 7.511 0.490 25585 1875 1 15 . 1 1 24 24 GLU N N 24 122.372 122.372 121.720 0.652 25585 1876 1 15 . 1 1 24 24 GLU HA H 24 4.209 4.209 4.255 -0.046 25585 1877 1 15 . 1 1 24 24 GLU CA C 24 56.115 56.115 55.842 0.273 25585 1878 1 15 . 1 1 24 24 GLU CB C 24 29.306 29.306 30.068 -0.762 25585 1879 1 15 . 1 1 24 24 GLU H H 24 8.317 8.317 7.419 0.898 25585 1880 1 15 . 1 1 25 25 HIS N N 25 118.365 118.365 115.426 2.939 25585 1881 1 15 . 1 1 25 25 HIS HA H 25 5.022 5.022 4.829 0.193 25585 1882 1 15 . 1 1 25 25 HIS CA C 25 52.772 52.772 52.872 -0.100 25585 1883 1 15 . 1 1 25 25 HIS CB C 25 28.551 28.551 27.816 0.735 25585 1884 1 15 . 1 1 25 25 HIS H H 25 8.323 8.323 7.561 0.762 25585 1885 1 15 . 1 1 26 26 PRO HA H 26 4.468 4.468 3.791 0.677 25585 1886 1 15 . 1 1 26 26 PRO CA C 26 63.834 63.834 64.049 -0.215 25585 1887 1 15 . 1 1 26 26 PRO CB C 26 31.936 31.936 31.812 0.124 25585 1888 1 15 . 1 1 27 27 GLY N N 27 108.880 108.880 106.956 1.924 25585 1889 1 15 . 1 1 27 27 GLY CA C 27 45.212 45.212 45.953 -0.741 25585 1890 1 15 . 1 1 27 27 GLY H H 27 8.594 8.594 8.220 0.374 25585 1891 1 15 . 1 1 28 28 ASN N N 28 118.144 118.144 119.320 -1.176 25585 1892 1 15 . 1 1 28 28 ASN HA H 28 4.665 4.665 4.527 0.138 25585 1893 1 15 . 1 1 28 28 ASN CA C 28 52.967 52.967 54.862 -1.895 25585 1894 1 15 . 1 1 28 28 ASN CB C 28 38.579 38.579 38.863 -0.284 25585 1895 1 15 . 1 1 28 28 ASN H H 28 8.154 8.154 7.602 0.552 25585 1896 1 15 . 1 1 29 29 TYR N N 29 119.962 119.962 116.572 3.390 25585 1897 1 15 . 1 1 29 29 TYR HA H 29 4.520 4.520 4.795 -0.275 25585 1898 1 15 . 1 1 29 29 TYR CA C 29 57.544 57.544 57.087 0.456 25585 1899 1 15 . 1 1 29 29 TYR CB C 29 39.011 39.011 38.930 0.081 25585 1900 1 15 . 1 1 29 29 TYR H H 29 8.058 8.058 6.781 1.277 25585 1901 1 15 . 1 1 30 30 ASP N N 30 120.874 120.874 120.483 0.391 25585 1902 1 15 . 1 1 30 30 ASP HA H 30 4.679 4.679 4.796 -0.117 25585 1903 1 15 . 1 1 30 30 ASP CA C 30 52.827 52.827 52.886 -0.059 25585 1904 1 15 . 1 1 30 30 ASP CB C 30 38.567 38.567 40.812 -2.245 25585 1905 1 15 . 1 1 30 30 ASP H H 30 8.226 8.226 8.664 -0.438 25585 1906 1 16 . 1 1 3 3 CYS N N 3 120.614 120.614 123.499 -2.885 25585 1907 1 16 . 1 1 3 3 CYS HA H 3 4.799 4.799 4.537 0.262 25585 1908 1 16 . 1 1 3 3 CYS CA C 3 51.792 51.792 57.825 -6.033 25585 1909 1 16 . 1 1 3 3 CYS CB C 3 42.170 42.170 29.772 12.398 25585 1910 1 16 . 1 1 3 3 CYS H H 3 7.958 7.958 7.573 0.385 25585 1911 1 16 . 1 1 4 4 GLN N N 4 121.450 121.450 120.776 0.674 25585 1912 1 16 . 1 1 4 4 GLN HA H 4 4.180 4.180 4.157 0.023 25585 1913 1 16 . 1 1 4 4 GLN CA C 4 54.557 54.557 53.004 1.553 25585 1914 1 16 . 1 1 4 4 GLN CB C 4 27.191 27.191 28.459 -1.268 25585 1915 1 16 . 1 1 4 4 GLN H H 4 8.737 8.737 8.177 0.560 25585 1916 1 16 . 1 1 5 5 PRO HA H 5 4.409 4.409 4.298 0.111 25585 1917 1 16 . 1 1 5 5 PRO CA C 5 64.354 64.354 64.398 -0.044 25585 1918 1 16 . 1 1 5 5 PRO CB C 5 31.710 31.710 31.551 0.159 25585 1919 1 16 . 1 1 6 6 GLY N N 6 111.865 111.865 110.720 1.145 25585 1920 1 16 . 1 1 6 6 GLY CA C 6 45.063 45.063 45.501 -0.438 25585 1921 1 16 . 1 1 6 6 GLY H H 6 8.948 8.948 8.810 0.138 25585 1922 1 16 . 1 1 7 7 TYR N N 7 120.136 120.136 119.678 0.458 25585 1923 1 16 . 1 1 7 7 TYR HA H 7 5.057 5.057 5.108 -0.051 25585 1924 1 16 . 1 1 7 7 TYR CA C 7 56.393 56.393 56.502 -0.109 25585 1925 1 16 . 1 1 7 7 TYR CB C 7 41.345 41.345 42.163 -0.818 25585 1926 1 16 . 1 1 7 7 TYR H H 7 8.300 8.300 7.652 0.648 25585 1927 1 16 . 1 1 8 8 ALA N N 8 121.599 121.599 122.906 -1.307 25585 1928 1 16 . 1 1 8 8 ALA HA H 8 4.686 4.686 4.694 -0.008 25585 1929 1 16 . 1 1 8 8 ALA CA C 8 50.942 50.942 50.634 0.308 25585 1930 1 16 . 1 1 8 8 ALA CB C 8 22.157 22.157 22.137 0.020 25585 1931 1 16 . 1 1 8 8 ALA H H 8 9.286 9.286 8.964 0.322 25585 1932 1 16 . 1 1 9 9 TYR N N 9 124.797 124.797 124.665 0.132 25585 1933 1 16 . 1 1 9 9 TYR HA H 9 4.338 4.338 4.229 0.109 25585 1934 1 16 . 1 1 9 9 TYR CA C 9 59.315 59.315 58.323 0.992 25585 1935 1 16 . 1 1 9 9 TYR CB C 9 38.798 38.798 38.137 0.661 25585 1936 1 16 . 1 1 9 9 TYR H H 9 9.112 9.112 8.724 0.388 25585 1937 1 16 . 1 1 10 10 ASN N N 10 128.087 128.087 125.866 2.221 25585 1938 1 16 . 1 1 10 10 ASN HA H 10 5.079 5.079 4.886 0.193 25585 1939 1 16 . 1 1 10 10 ASN CA C 10 49.172 49.172 49.489 -0.317 25585 1940 1 16 . 1 1 10 10 ASN CB C 10 38.824 38.824 40.377 -1.553 25585 1941 1 16 . 1 1 10 10 ASN H H 10 8.210 8.210 8.646 -0.436 25585 1942 1 16 . 1 1 11 11 PRO HA H 11 4.065 4.065 4.389 -0.324 25585 1943 1 16 . 1 1 11 11 PRO CA C 11 63.988 63.988 64.222 -0.235 25585 1944 1 16 . 1 1 11 11 PRO CB C 11 32.043 32.043 31.645 0.397 25585 1945 1 16 . 1 1 12 12 VAL N N 12 119.341 119.341 116.134 3.207 25585 1946 1 16 . 1 1 12 12 VAL HA H 12 3.758 3.758 4.090 -0.332 25585 1947 1 16 . 1 1 12 12 VAL CA C 12 65.103 65.103 63.418 1.685 25585 1948 1 16 . 1 1 12 12 VAL CB C 12 31.723 31.723 31.799 -0.076 25585 1949 1 16 . 1 1 12 12 VAL H H 12 7.570 7.570 7.533 0.037 25585 1950 1 16 . 1 1 13 13 LEU N N 13 116.412 116.412 120.068 -3.656 25585 1951 1 16 . 1 1 13 13 LEU HA H 13 4.289 4.289 4.746 -0.457 25585 1952 1 16 . 1 1 13 13 LEU CA C 13 55.820 55.820 55.222 0.598 25585 1953 1 16 . 1 1 13 13 LEU CB C 13 43.984 43.984 44.468 -0.484 25585 1954 1 16 . 1 1 13 13 LEU H H 13 6.902 6.902 7.525 -0.623 25585 1955 1 16 . 1 1 14 14 GLY N N 14 108.651 108.651 106.571 2.080 25585 1956 1 16 . 1 1 14 14 GLY CA C 14 46.243 46.243 45.203 1.040 25585 1957 1 16 . 1 1 14 14 GLY H H 14 8.387 8.387 8.436 -0.049 25585 1958 1 16 . 1 1 15 15 ILE N N 15 109.703 109.703 113.039 -3.336 25585 1959 1 16 . 1 1 15 15 ILE HA H 15 4.829 4.829 4.750 0.079 25585 1960 1 16 . 1 1 15 15 ILE CA C 15 58.677 58.677 58.818 -0.141 25585 1961 1 16 . 1 1 15 15 ILE CB C 15 43.373 43.373 40.135 3.238 25585 1962 1 16 . 1 1 15 15 ILE H H 15 6.727 6.727 7.377 -0.650 25585 1963 1 16 . 1 1 16 16 CYS N N 16 120.648 120.648 120.132 0.516 25585 1964 1 16 . 1 1 16 16 CYS HA H 16 5.192 5.192 5.360 -0.168 25585 1965 1 16 . 1 1 16 16 CYS CA C 16 55.993 55.993 58.481 -2.488 25585 1966 1 16 . 1 1 16 16 CYS CB C 16 43.124 43.124 27.227 15.897 25585 1967 1 16 . 1 1 16 16 CYS H H 16 8.811 8.811 8.650 0.161 25585 1968 1 16 . 1 1 17 17 THR N N 17 116.440 116.440 115.088 1.352 25585 1969 1 16 . 1 1 17 17 THR HA H 17 4.859 4.859 4.890 -0.031 25585 1970 1 16 . 1 1 17 17 THR CB C 17 69.862 69.862 71.785 -1.923 25585 1971 1 16 . 1 1 17 17 THR H H 17 9.357 9.357 8.926 0.431 25585 1972 1 16 . 1 1 18 18 ILE N N 18 124.956 124.956 123.970 0.986 25585 1973 1 16 . 1 1 18 18 ILE HA H 18 3.392 3.392 3.145 0.247 25585 1974 1 16 . 1 1 18 18 ILE CA C 18 62.208 62.208 61.603 0.605 25585 1975 1 16 . 1 1 18 18 ILE CB C 18 38.935 38.935 38.352 0.583 25585 1976 1 16 . 1 1 18 18 ILE H H 18 8.493 8.493 8.455 0.038 25585 1977 1 16 . 1 1 19 19 THR N N 19 119.997 119.997 123.234 -3.237 25585 1978 1 16 . 1 1 19 19 THR HA H 19 4.331 4.331 4.396 -0.065 25585 1979 1 16 . 1 1 19 19 THR CA C 19 61.222 61.222 60.552 0.670 25585 1980 1 16 . 1 1 19 19 THR CB C 19 69.839 69.839 70.354 -0.515 25585 1981 1 16 . 1 1 19 19 THR H H 19 8.060 8.060 8.471 -0.411 25585 1982 1 16 . 1 1 20 20 LEU N N 20 125.150 125.150 124.742 0.408 25585 1983 1 16 . 1 1 20 20 LEU HA H 20 4.287 4.287 4.168 0.119 25585 1984 1 16 . 1 1 20 20 LEU CA C 20 56.119 56.119 56.718 -0.599 25585 1985 1 16 . 1 1 20 20 LEU CB C 20 42.079 42.079 40.873 1.206 25585 1986 1 16 . 1 1 20 20 LEU H H 20 8.354 8.354 8.662 -0.308 25585 1987 1 16 . 1 1 21 21 SER N N 21 115.796 115.796 114.110 1.686 25585 1988 1 16 . 1 1 21 21 SER HA H 21 4.350 4.350 3.660 0.690 25585 1989 1 16 . 1 1 21 21 SER CA C 21 58.899 58.899 60.456 -1.557 25585 1990 1 16 . 1 1 21 21 SER CB C 21 63.363 63.363 62.799 0.564 25585 1991 1 16 . 1 1 21 21 SER H H 21 8.274 8.274 8.039 0.235 25585 1992 1 16 . 1 1 22 22 ARG N N 22 122.561 122.561 121.366 1.195 25585 1993 1 16 . 1 1 22 22 ARG HA H 22 4.289 4.289 4.167 0.122 25585 1994 1 16 . 1 1 22 22 ARG CA C 22 54.946 54.946 58.194 -3.248 25585 1995 1 16 . 1 1 22 22 ARG CB C 22 30.369 30.369 30.187 0.182 25585 1996 1 16 . 1 1 22 22 ARG H H 22 8.149 8.149 7.496 0.653 25585 1997 1 16 . 1 1 23 23 ILE N N 23 121.335 121.335 118.971 2.364 25585 1998 1 16 . 1 1 23 23 ILE HA H 23 4.001 4.001 3.993 0.008 25585 1999 1 16 . 1 1 23 23 ILE CA C 23 61.671 61.671 63.871 -2.200 25585 2000 1 16 . 1 1 23 23 ILE CB C 23 38.383 38.383 38.565 -0.182 25585 2001 1 16 . 1 1 23 23 ILE H H 23 8.002 8.002 7.660 0.342 25585 2002 1 16 . 1 1 24 24 GLU N N 24 122.372 122.372 118.977 3.395 25585 2003 1 16 . 1 1 24 24 GLU HA H 24 4.209 4.209 4.627 -0.418 25585 2004 1 16 . 1 1 24 24 GLU CA C 24 56.115 56.115 55.602 0.513 25585 2005 1 16 . 1 1 24 24 GLU CB C 24 29.306 29.306 30.240 -0.934 25585 2006 1 16 . 1 1 24 24 GLU H H 24 8.317 8.317 8.454 -0.137 25585 2007 1 16 . 1 1 25 25 HIS N N 25 118.365 118.365 122.078 -3.713 25585 2008 1 16 . 1 1 25 25 HIS HA H 25 5.022 5.022 4.714 0.308 25585 2009 1 16 . 1 1 25 25 HIS CA C 25 52.772 52.772 53.645 -0.873 25585 2010 1 16 . 1 1 25 25 HIS CB C 25 28.551 28.551 31.497 -2.946 25585 2011 1 16 . 1 1 25 25 HIS H H 25 8.323 8.323 8.124 0.199 25585 2012 1 16 . 1 1 26 26 PRO HA H 26 4.468 4.468 4.290 0.178 25585 2013 1 16 . 1 1 26 26 PRO CA C 26 63.834 63.834 64.429 -0.595 25585 2014 1 16 . 1 1 26 26 PRO CB C 26 31.936 31.936 31.943 -0.007 25585 2015 1 16 . 1 1 27 27 GLY N N 27 108.880 108.880 104.572 4.308 25585 2016 1 16 . 1 1 27 27 GLY CA C 27 45.212 45.212 45.431 -0.219 25585 2017 1 16 . 1 1 27 27 GLY H H 27 8.594 8.594 8.392 0.202 25585 2018 1 16 . 1 1 28 28 ASN N N 28 118.144 118.144 118.857 -0.713 25585 2019 1 16 . 1 1 28 28 ASN HA H 28 4.665 4.665 4.702 -0.037 25585 2020 1 16 . 1 1 28 28 ASN CA C 28 52.967 52.967 54.442 -1.475 25585 2021 1 16 . 1 1 28 28 ASN CB C 28 38.579 38.579 39.647 -1.068 25585 2022 1 16 . 1 1 28 28 ASN H H 28 8.154 8.154 7.607 0.547 25585 2023 1 16 . 1 1 29 29 TYR N N 29 119.962 119.962 113.486 6.476 25585 2024 1 16 . 1 1 29 29 TYR HA H 29 4.520 4.520 4.677 -0.157 25585 2025 1 16 . 1 1 29 29 TYR CA C 29 57.544 57.544 58.232 -0.688 25585 2026 1 16 . 1 1 29 29 TYR CB C 29 39.011 39.011 40.049 -1.038 25585 2027 1 16 . 1 1 29 29 TYR H H 29 8.058 8.058 7.335 0.723 25585 2028 1 16 . 1 1 30 30 ASP N N 30 120.874 120.874 121.727 -0.853 25585 2029 1 16 . 1 1 30 30 ASP HA H 30 4.679 4.679 4.080 0.599 25585 2030 1 16 . 1 1 30 30 ASP CA C 30 52.827 52.827 54.879 -2.052 25585 2031 1 16 . 1 1 30 30 ASP CB C 30 38.567 38.567 39.476 -0.909 25585 2032 1 16 . 1 1 30 30 ASP H H 30 8.226 8.226 6.965 1.261 25585 2033 1 17 . 1 1 3 3 CYS N N 3 120.614 120.614 123.987 -3.373 25585 2034 1 17 . 1 1 3 3 CYS HA H 3 4.799 4.799 4.556 0.243 25585 2035 1 17 . 1 1 3 3 CYS CA C 3 51.792 51.792 57.218 -5.426 25585 2036 1 17 . 1 1 3 3 CYS CB C 3 42.170 42.170 30.095 12.075 25585 2037 1 17 . 1 1 3 3 CYS H H 3 7.958 7.958 7.609 0.349 25585 2038 1 17 . 1 1 4 4 GLN N N 4 121.450 121.450 120.822 0.628 25585 2039 1 17 . 1 1 4 4 GLN HA H 4 4.180 4.180 4.127 0.053 25585 2040 1 17 . 1 1 4 4 GLN CA C 4 54.557 54.557 53.049 1.508 25585 2041 1 17 . 1 1 4 4 GLN CB C 4 27.191 27.191 28.389 -1.198 25585 2042 1 17 . 1 1 4 4 GLN H H 4 8.737 8.737 8.164 0.573 25585 2043 1 17 . 1 1 5 5 PRO HA H 5 4.409 4.409 4.148 0.261 25585 2044 1 17 . 1 1 5 5 PRO CA C 5 64.354 64.354 64.367 -0.013 25585 2045 1 17 . 1 1 5 5 PRO CB C 5 31.710 31.710 31.648 0.062 25585 2046 1 17 . 1 1 6 6 GLY N N 6 111.865 111.865 109.682 2.183 25585 2047 1 17 . 1 1 6 6 GLY CA C 6 45.063 45.063 45.502 -0.439 25585 2048 1 17 . 1 1 6 6 GLY H H 6 8.948 8.948 8.633 0.315 25585 2049 1 17 . 1 1 7 7 TYR N N 7 120.136 120.136 119.675 0.461 25585 2050 1 17 . 1 1 7 7 TYR HA H 7 5.057 5.057 5.104 -0.047 25585 2051 1 17 . 1 1 7 7 TYR CA C 7 56.393 56.393 56.519 -0.126 25585 2052 1 17 . 1 1 7 7 TYR CB C 7 41.345 41.345 42.167 -0.822 25585 2053 1 17 . 1 1 7 7 TYR H H 7 8.300 8.300 7.616 0.684 25585 2054 1 17 . 1 1 8 8 ALA N N 8 121.599 121.599 122.586 -0.987 25585 2055 1 17 . 1 1 8 8 ALA HA H 8 4.686 4.686 4.702 -0.016 25585 2056 1 17 . 1 1 8 8 ALA CA C 8 50.942 50.942 50.750 0.192 25585 2057 1 17 . 1 1 8 8 ALA CB C 8 22.157 22.157 22.213 -0.056 25585 2058 1 17 . 1 1 8 8 ALA H H 8 9.286 9.286 8.980 0.306 25585 2059 1 17 . 1 1 9 9 TYR N N 9 124.797 124.797 124.297 0.500 25585 2060 1 17 . 1 1 9 9 TYR HA H 9 4.338 4.338 4.258 0.080 25585 2061 1 17 . 1 1 9 9 TYR CA C 9 59.315 59.315 58.430 0.885 25585 2062 1 17 . 1 1 9 9 TYR CB C 9 38.798 38.798 38.245 0.553 25585 2063 1 17 . 1 1 9 9 TYR H H 9 9.112 9.112 8.728 0.384 25585 2064 1 17 . 1 1 10 10 ASN N N 10 128.087 128.087 125.755 2.332 25585 2065 1 17 . 1 1 10 10 ASN HA H 10 5.079 5.079 4.938 0.141 25585 2066 1 17 . 1 1 10 10 ASN CA C 10 49.172 49.172 49.529 -0.357 25585 2067 1 17 . 1 1 10 10 ASN CB C 10 38.824 38.824 40.117 -1.293 25585 2068 1 17 . 1 1 10 10 ASN H H 10 8.210 8.210 8.534 -0.324 25585 2069 1 17 . 1 1 11 11 PRO HA H 11 4.065 4.065 4.109 -0.044 25585 2070 1 17 . 1 1 11 11 PRO CA C 11 63.988 63.988 63.982 0.006 25585 2071 1 17 . 1 1 11 11 PRO CB C 11 32.043 32.043 31.506 0.537 25585 2072 1 17 . 1 1 12 12 VAL N N 12 119.341 119.341 115.519 3.822 25585 2073 1 17 . 1 1 12 12 VAL HA H 12 3.758 3.758 4.085 -0.327 25585 2074 1 17 . 1 1 12 12 VAL CA C 12 65.103 65.103 63.336 1.767 25585 2075 1 17 . 1 1 12 12 VAL CB C 12 31.723 31.723 31.690 0.033 25585 2076 1 17 . 1 1 12 12 VAL H H 12 7.570 7.570 7.471 0.099 25585 2077 1 17 . 1 1 13 13 LEU N N 13 116.412 116.412 120.360 -3.948 25585 2078 1 17 . 1 1 13 13 LEU HA H 13 4.289 4.289 4.672 -0.383 25585 2079 1 17 . 1 1 13 13 LEU CA C 13 55.820 55.820 55.379 0.441 25585 2080 1 17 . 1 1 13 13 LEU CB C 13 43.984 43.984 44.648 -0.664 25585 2081 1 17 . 1 1 13 13 LEU H H 13 6.902 6.902 7.686 -0.784 25585 2082 1 17 . 1 1 14 14 GLY N N 14 108.651 108.651 106.643 2.008 25585 2083 1 17 . 1 1 14 14 GLY CA C 14 46.243 46.243 45.202 1.041 25585 2084 1 17 . 1 1 14 14 GLY H H 14 8.387 8.387 8.464 -0.077 25585 2085 1 17 . 1 1 15 15 ILE N N 15 109.703 109.703 113.232 -3.529 25585 2086 1 17 . 1 1 15 15 ILE HA H 15 4.829 4.829 4.783 0.046 25585 2087 1 17 . 1 1 15 15 ILE CA C 15 58.677 58.677 58.755 -0.078 25585 2088 1 17 . 1 1 15 15 ILE CB C 15 43.373 43.373 40.266 3.107 25585 2089 1 17 . 1 1 15 15 ILE H H 15 6.727 6.727 7.310 -0.583 25585 2090 1 17 . 1 1 16 16 CYS N N 16 120.648 120.648 119.472 1.176 25585 2091 1 17 . 1 1 16 16 CYS HA H 16 5.192 5.192 5.305 -0.113 25585 2092 1 17 . 1 1 16 16 CYS CA C 16 55.993 55.993 58.636 -2.643 25585 2093 1 17 . 1 1 16 16 CYS CB C 16 43.124 43.124 27.498 15.626 25585 2094 1 17 . 1 1 16 16 CYS H H 16 8.811 8.811 8.762 0.049 25585 2095 1 17 . 1 1 17 17 THR N N 17 116.440 116.440 115.223 1.217 25585 2096 1 17 . 1 1 17 17 THR HA H 17 4.859 4.859 4.890 -0.031 25585 2097 1 17 . 1 1 17 17 THR CB C 17 69.862 69.862 70.763 -0.901 25585 2098 1 17 . 1 1 17 17 THR H H 17 9.357 9.357 9.115 0.242 25585 2099 1 17 . 1 1 18 18 ILE N N 18 124.956 124.956 123.161 1.795 25585 2100 1 17 . 1 1 18 18 ILE HA H 18 3.392 3.392 3.074 0.318 25585 2101 1 17 . 1 1 18 18 ILE CA C 18 62.208 62.208 61.697 0.511 25585 2102 1 17 . 1 1 18 18 ILE CB C 18 38.935 38.935 38.391 0.544 25585 2103 1 17 . 1 1 18 18 ILE H H 18 8.493 8.493 8.272 0.221 25585 2104 1 17 . 1 1 19 19 THR N N 19 119.997 119.997 121.729 -1.732 25585 2105 1 17 . 1 1 19 19 THR HA H 19 4.331 4.331 4.501 -0.170 25585 2106 1 17 . 1 1 19 19 THR CA C 19 61.222 61.222 60.487 0.735 25585 2107 1 17 . 1 1 19 19 THR CB C 19 69.839 69.839 70.764 -0.925 25585 2108 1 17 . 1 1 19 19 THR H H 19 8.060 8.060 8.217 -0.157 25585 2109 1 17 . 1 1 20 20 LEU N N 20 125.150 125.150 124.759 0.391 25585 2110 1 17 . 1 1 20 20 LEU HA H 20 4.287 4.287 4.097 0.190 25585 2111 1 17 . 1 1 20 20 LEU CA C 20 56.119 56.119 57.277 -1.158 25585 2112 1 17 . 1 1 20 20 LEU CB C 20 42.079 42.079 41.442 0.637 25585 2113 1 17 . 1 1 20 20 LEU H H 20 8.354 8.354 9.066 -0.712 25585 2114 1 17 . 1 1 21 21 SER N N 21 115.796 115.796 115.033 0.763 25585 2115 1 17 . 1 1 21 21 SER HA H 21 4.350 4.350 4.320 0.030 25585 2116 1 17 . 1 1 21 21 SER CA C 21 58.899 58.899 61.241 -2.342 25585 2117 1 17 . 1 1 21 21 SER CB C 21 63.363 63.363 63.107 0.256 25585 2118 1 17 . 1 1 21 21 SER H H 21 8.274 8.274 8.405 -0.131 25585 2119 1 17 . 1 1 22 22 ARG N N 22 122.561 122.561 120.940 1.621 25585 2120 1 17 . 1 1 22 22 ARG HA H 22 4.289 4.289 4.063 0.226 25585 2121 1 17 . 1 1 22 22 ARG CA C 22 54.946 54.946 58.393 -3.447 25585 2122 1 17 . 1 1 22 22 ARG CB C 22 30.369 30.369 30.068 0.301 25585 2123 1 17 . 1 1 22 22 ARG H H 22 8.149 8.149 7.588 0.561 25585 2124 1 17 . 1 1 23 23 ILE N N 23 121.335 121.335 118.232 3.103 25585 2125 1 17 . 1 1 23 23 ILE HA H 23 4.001 4.001 4.092 -0.091 25585 2126 1 17 . 1 1 23 23 ILE CA C 23 61.671 61.671 62.534 -0.863 25585 2127 1 17 . 1 1 23 23 ILE CB C 23 38.383 38.383 39.264 -0.881 25585 2128 1 17 . 1 1 23 23 ILE H H 23 8.002 8.002 7.659 0.343 25585 2129 1 17 . 1 1 24 24 GLU N N 24 122.372 122.372 117.260 5.112 25585 2130 1 17 . 1 1 24 24 GLU HA H 24 4.209 4.209 4.466 -0.257 25585 2131 1 17 . 1 1 24 24 GLU CA C 24 56.115 56.115 56.228 -0.113 25585 2132 1 17 . 1 1 24 24 GLU CB C 24 29.306 29.306 29.632 -0.326 25585 2133 1 17 . 1 1 24 24 GLU H H 24 8.317 8.317 8.620 -0.303 25585 2134 1 17 . 1 1 25 25 HIS N N 25 118.365 118.365 119.536 -1.171 25585 2135 1 17 . 1 1 25 25 HIS HA H 25 5.022 5.022 4.896 0.126 25585 2136 1 17 . 1 1 25 25 HIS CA C 25 52.772 52.772 53.839 -1.067 25585 2137 1 17 . 1 1 25 25 HIS CB C 25 28.551 28.551 29.803 -1.252 25585 2138 1 17 . 1 1 25 25 HIS H H 25 8.323 8.323 8.353 -0.030 25585 2139 1 17 . 1 1 26 26 PRO HA H 26 4.468 4.468 4.496 -0.028 25585 2140 1 17 . 1 1 26 26 PRO CA C 26 63.834 63.834 64.478 -0.644 25585 2141 1 17 . 1 1 26 26 PRO CB C 26 31.936 31.936 32.139 -0.203 25585 2142 1 17 . 1 1 27 27 GLY N N 27 108.880 108.880 105.343 3.537 25585 2143 1 17 . 1 1 27 27 GLY CA C 27 45.212 45.212 46.608 -1.396 25585 2144 1 17 . 1 1 27 27 GLY H H 27 8.594 8.594 8.722 -0.128 25585 2145 1 17 . 1 1 28 28 ASN N N 28 118.144 118.144 119.002 -0.858 25585 2146 1 17 . 1 1 28 28 ASN HA H 28 4.665 4.665 4.476 0.189 25585 2147 1 17 . 1 1 28 28 ASN CA C 28 52.967 52.967 54.969 -2.002 25585 2148 1 17 . 1 1 28 28 ASN CB C 28 38.579 38.579 38.630 -0.051 25585 2149 1 17 . 1 1 28 28 ASN H H 28 8.154 8.154 7.957 0.197 25585 2150 1 17 . 1 1 29 29 TYR N N 29 119.962 119.962 116.680 3.282 25585 2151 1 17 . 1 1 29 29 TYR HA H 29 4.520 4.520 4.666 -0.146 25585 2152 1 17 . 1 1 29 29 TYR CA C 29 57.544 57.544 57.596 -0.052 25585 2153 1 17 . 1 1 29 29 TYR CB C 29 39.011 39.011 39.013 -0.002 25585 2154 1 17 . 1 1 29 29 TYR H H 29 8.058 8.058 7.723 0.335 25585 2155 1 17 . 1 1 30 30 ASP N N 30 120.874 120.874 117.146 3.728 25585 2156 1 17 . 1 1 30 30 ASP HA H 30 4.679 4.679 4.325 0.354 25585 2157 1 17 . 1 1 30 30 ASP CA C 30 52.827 52.827 55.812 -2.985 25585 2158 1 17 . 1 1 30 30 ASP CB C 30 38.567 38.567 38.949 -0.382 25585 2159 1 17 . 1 1 30 30 ASP H H 30 8.226 8.226 8.173 0.053 25585 2160 1 18 . 1 1 3 3 CYS N N 3 120.614 120.614 123.381 -2.767 25585 2161 1 18 . 1 1 3 3 CYS HA H 3 4.799 4.799 4.530 0.269 25585 2162 1 18 . 1 1 3 3 CYS CA C 3 51.792 51.792 57.810 -6.018 25585 2163 1 18 . 1 1 3 3 CYS CB C 3 42.170 42.170 29.884 12.286 25585 2164 1 18 . 1 1 3 3 CYS H H 3 7.958 7.958 7.582 0.376 25585 2165 1 18 . 1 1 4 4 GLN N N 4 121.450 121.450 120.640 0.810 25585 2166 1 18 . 1 1 4 4 GLN HA H 4 4.180 4.180 4.205 -0.025 25585 2167 1 18 . 1 1 4 4 GLN CA C 4 54.557 54.557 52.913 1.644 25585 2168 1 18 . 1 1 4 4 GLN CB C 4 27.191 27.191 28.471 -1.280 25585 2169 1 18 . 1 1 4 4 GLN H H 4 8.737 8.737 8.168 0.569 25585 2170 1 18 . 1 1 5 5 PRO HA H 5 4.409 4.409 4.221 0.188 25585 2171 1 18 . 1 1 5 5 PRO CA C 5 64.354 64.354 64.078 0.276 25585 2172 1 18 . 1 1 5 5 PRO CB C 5 31.710 31.710 31.748 -0.039 25585 2173 1 18 . 1 1 6 6 GLY N N 6 111.865 111.865 110.232 1.633 25585 2174 1 18 . 1 1 6 6 GLY CA C 6 45.063 45.063 45.764 -0.701 25585 2175 1 18 . 1 1 6 6 GLY H H 6 8.948 8.948 8.715 0.233 25585 2176 1 18 . 1 1 7 7 TYR N N 7 120.136 120.136 119.530 0.606 25585 2177 1 18 . 1 1 7 7 TYR HA H 7 5.057 5.057 5.037 0.020 25585 2178 1 18 . 1 1 7 7 TYR CA C 7 56.393 56.393 56.519 -0.126 25585 2179 1 18 . 1 1 7 7 TYR CB C 7 41.345 41.345 42.180 -0.835 25585 2180 1 18 . 1 1 7 7 TYR H H 7 8.300 8.300 7.626 0.674 25585 2181 1 18 . 1 1 8 8 ALA N N 8 121.599 121.599 122.853 -1.254 25585 2182 1 18 . 1 1 8 8 ALA HA H 8 4.686 4.686 4.712 -0.026 25585 2183 1 18 . 1 1 8 8 ALA CA C 8 50.942 50.942 50.630 0.312 25585 2184 1 18 . 1 1 8 8 ALA CB C 8 22.157 22.157 22.120 0.037 25585 2185 1 18 . 1 1 8 8 ALA H H 8 9.286 9.286 8.991 0.295 25585 2186 1 18 . 1 1 9 9 TYR N N 9 124.797 124.797 124.801 -0.004 25585 2187 1 18 . 1 1 9 9 TYR HA H 9 4.338 4.338 4.246 0.092 25585 2188 1 18 . 1 1 9 9 TYR CA C 9 59.315 59.315 58.223 1.092 25585 2189 1 18 . 1 1 9 9 TYR CB C 9 38.798 38.798 38.152 0.646 25585 2190 1 18 . 1 1 9 9 TYR H H 9 9.112 9.112 8.744 0.368 25585 2191 1 18 . 1 1 10 10 ASN N N 10 128.087 128.087 125.913 2.174 25585 2192 1 18 . 1 1 10 10 ASN HA H 10 5.079 5.079 4.897 0.182 25585 2193 1 18 . 1 1 10 10 ASN CA C 10 49.172 49.172 49.519 -0.347 25585 2194 1 18 . 1 1 10 10 ASN CB C 10 38.824 38.824 40.394 -1.570 25585 2195 1 18 . 1 1 10 10 ASN H H 10 8.210 8.210 8.704 -0.494 25585 2196 1 18 . 1 1 11 11 PRO HA H 11 4.065 4.065 4.396 -0.331 25585 2197 1 18 . 1 1 11 11 PRO CA C 11 63.988 63.988 64.224 -0.236 25585 2198 1 18 . 1 1 11 11 PRO CB C 11 32.043 32.043 31.636 0.407 25585 2199 1 18 . 1 1 12 12 VAL N N 12 119.341 119.341 116.136 3.205 25585 2200 1 18 . 1 1 12 12 VAL HA H 12 3.758 3.758 4.100 -0.342 25585 2201 1 18 . 1 1 12 12 VAL CA C 12 65.103 65.103 63.376 1.727 25585 2202 1 18 . 1 1 12 12 VAL CB C 12 31.723 31.723 31.777 -0.054 25585 2203 1 18 . 1 1 12 12 VAL H H 12 7.570 7.570 7.535 0.035 25585 2204 1 18 . 1 1 13 13 LEU N N 13 116.412 116.412 120.061 -3.649 25585 2205 1 18 . 1 1 13 13 LEU HA H 13 4.289 4.289 4.752 -0.463 25585 2206 1 18 . 1 1 13 13 LEU CA C 13 55.820 55.820 55.229 0.591 25585 2207 1 18 . 1 1 13 13 LEU CB C 13 43.984 43.984 44.489 -0.505 25585 2208 1 18 . 1 1 13 13 LEU H H 13 6.902 6.902 7.529 -0.627 25585 2209 1 18 . 1 1 14 14 GLY N N 14 108.651 108.651 106.572 2.079 25585 2210 1 18 . 1 1 14 14 GLY CA C 14 46.243 46.243 45.207 1.036 25585 2211 1 18 . 1 1 14 14 GLY H H 14 8.387 8.387 8.451 -0.064 25585 2212 1 18 . 1 1 15 15 ILE N N 15 109.703 109.703 113.011 -3.308 25585 2213 1 18 . 1 1 15 15 ILE HA H 15 4.829 4.829 4.749 0.080 25585 2214 1 18 . 1 1 15 15 ILE CA C 15 58.677 58.677 58.871 -0.195 25585 2215 1 18 . 1 1 15 15 ILE CB C 15 43.373 43.373 40.119 3.254 25585 2216 1 18 . 1 1 15 15 ILE H H 15 6.727 6.727 7.399 -0.672 25585 2217 1 18 . 1 1 16 16 CYS N N 16 120.648 120.648 119.711 0.937 25585 2218 1 18 . 1 1 16 16 CYS HA H 16 5.192 5.192 5.316 -0.124 25585 2219 1 18 . 1 1 16 16 CYS CA C 16 55.993 55.993 58.640 -2.647 25585 2220 1 18 . 1 1 16 16 CYS CB C 16 43.124 43.124 27.250 15.874 25585 2221 1 18 . 1 1 16 16 CYS H H 16 8.811 8.811 8.717 0.094 25585 2222 1 18 . 1 1 17 17 THR N N 17 116.440 116.440 114.841 1.599 25585 2223 1 18 . 1 1 17 17 THR HA H 17 4.859 4.859 4.938 -0.079 25585 2224 1 18 . 1 1 17 17 THR CB C 17 69.862 69.862 71.975 -2.113 25585 2225 1 18 . 1 1 17 17 THR H H 17 9.357 9.357 8.913 0.444 25585 2226 1 18 . 1 1 18 18 ILE N N 18 124.956 124.956 123.437 1.519 25585 2227 1 18 . 1 1 18 18 ILE HA H 18 3.392 3.392 3.137 0.255 25585 2228 1 18 . 1 1 18 18 ILE CA C 18 62.208 62.208 61.894 0.314 25585 2229 1 18 . 1 1 18 18 ILE CB C 18 38.935 38.935 38.470 0.465 25585 2230 1 18 . 1 1 18 18 ILE H H 18 8.493 8.493 8.394 0.099 25585 2231 1 18 . 1 1 19 19 THR N N 19 119.997 119.997 122.522 -2.525 25585 2232 1 18 . 1 1 19 19 THR HA H 19 4.331 4.331 4.475 -0.144 25585 2233 1 18 . 1 1 19 19 THR CA C 19 61.222 61.222 59.834 1.389 25585 2234 1 18 . 1 1 19 19 THR CB C 19 69.839 69.839 70.498 -0.659 25585 2235 1 18 . 1 1 19 19 THR H H 19 8.060 8.060 8.257 -0.197 25585 2236 1 18 . 1 1 20 20 LEU N N 20 125.150 125.150 123.623 1.527 25585 2237 1 18 . 1 1 20 20 LEU HA H 20 4.287 4.287 4.086 0.201 25585 2238 1 18 . 1 1 20 20 LEU CA C 20 56.119 56.119 57.160 -1.042 25585 2239 1 18 . 1 1 20 20 LEU CB C 20 42.079 42.079 41.349 0.730 25585 2240 1 18 . 1 1 20 20 LEU H H 20 8.354 8.354 8.736 -0.382 25585 2241 1 18 . 1 1 21 21 SER N N 21 115.796 115.796 115.412 0.384 25585 2242 1 18 . 1 1 21 21 SER HA H 21 4.350 4.350 4.297 0.053 25585 2243 1 18 . 1 1 21 21 SER CA C 21 58.899 58.899 62.339 -3.440 25585 2244 1 18 . 1 1 21 21 SER CB C 21 63.363 63.363 63.063 0.300 25585 2245 1 18 . 1 1 21 21 SER H H 21 8.274 8.274 8.067 0.207 25585 2246 1 18 . 1 1 22 22 ARG N N 22 122.561 122.561 120.279 2.282 25585 2247 1 18 . 1 1 22 22 ARG HA H 22 4.289 4.289 4.108 0.181 25585 2248 1 18 . 1 1 22 22 ARG CA C 22 54.946 54.946 58.301 -3.355 25585 2249 1 18 . 1 1 22 22 ARG CB C 22 30.369 30.369 30.150 0.219 25585 2250 1 18 . 1 1 22 22 ARG H H 22 8.149 8.149 7.546 0.603 25585 2251 1 18 . 1 1 23 23 ILE N N 23 121.335 121.335 118.529 2.806 25585 2252 1 18 . 1 1 23 23 ILE HA H 23 4.001 4.001 3.788 0.213 25585 2253 1 18 . 1 1 23 23 ILE CA C 23 61.671 61.671 63.589 -1.918 25585 2254 1 18 . 1 1 23 23 ILE CB C 23 38.383 38.383 37.725 0.658 25585 2255 1 18 . 1 1 23 23 ILE H H 23 8.002 8.002 7.306 0.696 25585 2256 1 18 . 1 1 24 24 GLU N N 24 122.372 122.372 114.062 8.310 25585 2257 1 18 . 1 1 24 24 GLU HA H 24 4.209 4.209 4.332 -0.123 25585 2258 1 18 . 1 1 24 24 GLU CA C 24 56.115 56.115 54.462 1.653 25585 2259 1 18 . 1 1 24 24 GLU CB C 24 29.306 29.306 32.795 -3.489 25585 2260 1 18 . 1 1 24 24 GLU H H 24 8.317 8.317 7.735 0.582 25585 2261 1 18 . 1 1 25 25 HIS N N 25 118.365 118.365 114.402 3.963 25585 2262 1 18 . 1 1 25 25 HIS HA H 25 5.022 5.022 4.308 0.714 25585 2263 1 18 . 1 1 25 25 HIS CA C 25 52.772 52.772 55.712 -2.940 25585 2264 1 18 . 1 1 25 25 HIS CB C 25 28.551 28.551 27.636 0.915 25585 2265 1 18 . 1 1 25 25 HIS H H 25 8.323 8.323 8.404 -0.081 25585 2266 1 18 . 1 1 26 26 PRO HA H 26 4.468 4.468 4.527 -0.059 25585 2267 1 18 . 1 1 26 26 PRO CA C 26 63.834 63.834 64.368 -0.534 25585 2268 1 18 . 1 1 26 26 PRO CB C 26 31.936 31.936 31.435 0.501 25585 2269 1 18 . 1 1 27 27 GLY N N 27 108.880 108.880 105.149 3.731 25585 2270 1 18 . 1 1 27 27 GLY CA C 27 45.212 45.212 45.114 0.098 25585 2271 1 18 . 1 1 27 27 GLY H H 27 8.594 8.594 8.028 0.566 25585 2272 1 18 . 1 1 28 28 ASN N N 28 118.144 118.144 116.861 1.283 25585 2273 1 18 . 1 1 28 28 ASN HA H 28 4.665 4.665 4.342 0.323 25585 2274 1 18 . 1 1 28 28 ASN CA C 28 52.967 52.967 53.943 -0.976 25585 2275 1 18 . 1 1 28 28 ASN CB C 28 38.579 38.579 37.411 1.168 25585 2276 1 18 . 1 1 28 28 ASN H H 28 8.154 8.154 7.894 0.260 25585 2277 1 18 . 1 1 29 29 TYR N N 29 119.962 119.962 112.949 7.013 25585 2278 1 18 . 1 1 29 29 TYR HA H 29 4.520 4.520 4.149 0.371 25585 2279 1 18 . 1 1 29 29 TYR CA C 29 57.544 57.544 59.677 -2.133 25585 2280 1 18 . 1 1 29 29 TYR CB C 29 39.011 39.011 35.772 3.239 25585 2281 1 18 . 1 1 29 29 TYR H H 29 8.058 8.058 7.839 0.219 25585 2282 1 18 . 1 1 30 30 ASP N N 30 120.874 120.874 113.459 7.415 25585 2283 1 18 . 1 1 30 30 ASP HA H 30 4.679 4.679 4.233 0.446 25585 2284 1 18 . 1 1 30 30 ASP CA C 30 52.827 52.827 55.894 -3.067 25585 2285 1 18 . 1 1 30 30 ASP CB C 30 38.567 38.567 39.463 -0.896 25585 2286 1 18 . 1 1 30 30 ASP H H 30 8.226 8.226 8.180 0.046 25585 2287 1 19 . 1 1 3 3 CYS N N 3 120.614 120.614 123.897 -3.283 25585 2288 1 19 . 1 1 3 3 CYS HA H 3 4.799 4.799 4.554 0.245 25585 2289 1 19 . 1 1 3 3 CYS CA C 3 51.792 51.792 57.245 -5.453 25585 2290 1 19 . 1 1 3 3 CYS CB C 3 42.170 42.170 29.989 12.181 25585 2291 1 19 . 1 1 3 3 CYS H H 3 7.958 7.958 7.589 0.369 25585 2292 1 19 . 1 1 4 4 GLN N N 4 121.450 121.450 120.713 0.737 25585 2293 1 19 . 1 1 4 4 GLN HA H 4 4.180 4.180 4.134 0.046 25585 2294 1 19 . 1 1 4 4 GLN CA C 4 54.557 54.557 52.954 1.603 25585 2295 1 19 . 1 1 4 4 GLN CB C 4 27.191 27.191 28.485 -1.294 25585 2296 1 19 . 1 1 4 4 GLN H H 4 8.737 8.737 8.153 0.584 25585 2297 1 19 . 1 1 5 5 PRO HA H 5 4.409 4.409 4.161 0.248 25585 2298 1 19 . 1 1 5 5 PRO CA C 5 64.354 64.354 64.421 -0.067 25585 2299 1 19 . 1 1 5 5 PRO CB C 5 31.710 31.710 31.665 0.045 25585 2300 1 19 . 1 1 6 6 GLY N N 6 111.865 111.865 109.634 2.231 25585 2301 1 19 . 1 1 6 6 GLY CA C 6 45.063 45.063 45.435 -0.372 25585 2302 1 19 . 1 1 6 6 GLY H H 6 8.948 8.948 8.616 0.332 25585 2303 1 19 . 1 1 7 7 TYR N N 7 120.136 120.136 119.563 0.573 25585 2304 1 19 . 1 1 7 7 TYR HA H 7 5.057 5.057 5.089 -0.032 25585 2305 1 19 . 1 1 7 7 TYR CA C 7 56.393 56.393 56.445 -0.052 25585 2306 1 19 . 1 1 7 7 TYR CB C 7 41.345 41.345 42.155 -0.810 25585 2307 1 19 . 1 1 7 7 TYR H H 7 8.300 8.300 7.591 0.709 25585 2308 1 19 . 1 1 8 8 ALA N N 8 121.599 121.599 122.775 -1.176 25585 2309 1 19 . 1 1 8 8 ALA HA H 8 4.686 4.686 4.667 0.019 25585 2310 1 19 . 1 1 8 8 ALA CA C 8 50.942 50.942 50.679 0.263 25585 2311 1 19 . 1 1 8 8 ALA CB C 8 22.157 22.157 22.149 0.008 25585 2312 1 19 . 1 1 8 8 ALA H H 8 9.286 9.286 8.875 0.411 25585 2313 1 19 . 1 1 9 9 TYR N N 9 124.797 124.797 124.223 0.574 25585 2314 1 19 . 1 1 9 9 TYR HA H 9 4.338 4.338 4.239 0.099 25585 2315 1 19 . 1 1 9 9 TYR CA C 9 59.315 59.315 58.478 0.837 25585 2316 1 19 . 1 1 9 9 TYR CB C 9 38.798 38.798 38.293 0.505 25585 2317 1 19 . 1 1 9 9 TYR H H 9 9.112 9.112 8.704 0.408 25585 2318 1 19 . 1 1 10 10 ASN N N 10 128.087 128.087 125.577 2.510 25585 2319 1 19 . 1 1 10 10 ASN HA H 10 5.079 5.079 4.931 0.148 25585 2320 1 19 . 1 1 10 10 ASN CA C 10 49.172 49.172 49.527 -0.355 25585 2321 1 19 . 1 1 10 10 ASN CB C 10 38.824 38.824 40.039 -1.216 25585 2322 1 19 . 1 1 10 10 ASN H H 10 8.210 8.210 8.350 -0.140 25585 2323 1 19 . 1 1 11 11 PRO HA H 11 4.065 4.065 4.112 -0.047 25585 2324 1 19 . 1 1 11 11 PRO CA C 11 63.988 63.988 64.280 -0.292 25585 2325 1 19 . 1 1 11 11 PRO CB C 11 32.043 32.043 31.542 0.501 25585 2326 1 19 . 1 1 12 12 VAL N N 12 119.341 119.341 115.152 4.189 25585 2327 1 19 . 1 1 12 12 VAL HA H 12 3.758 3.758 4.049 -0.291 25585 2328 1 19 . 1 1 12 12 VAL CA C 12 65.103 65.103 63.518 1.585 25585 2329 1 19 . 1 1 12 12 VAL CB C 12 31.723 31.723 32.091 -0.368 25585 2330 1 19 . 1 1 12 12 VAL H H 12 7.570 7.570 7.511 0.059 25585 2331 1 19 . 1 1 13 13 LEU N N 13 116.412 116.412 120.232 -3.820 25585 2332 1 19 . 1 1 13 13 LEU HA H 13 4.289 4.289 4.745 -0.456 25585 2333 1 19 . 1 1 13 13 LEU CA C 13 55.820 55.820 55.234 0.586 25585 2334 1 19 . 1 1 13 13 LEU CB C 13 43.984 43.984 44.483 -0.499 25585 2335 1 19 . 1 1 13 13 LEU H H 13 6.902 6.902 7.714 -0.812 25585 2336 1 19 . 1 1 14 14 GLY N N 14 108.651 108.651 107.226 1.425 25585 2337 1 19 . 1 1 14 14 GLY CA C 14 46.243 46.243 45.138 1.105 25585 2338 1 19 . 1 1 14 14 GLY H H 14 8.387 8.387 8.573 -0.186 25585 2339 1 19 . 1 1 15 15 ILE N N 15 109.703 109.703 113.959 -4.256 25585 2340 1 19 . 1 1 15 15 ILE HA H 15 4.829 4.829 4.789 0.040 25585 2341 1 19 . 1 1 15 15 ILE CA C 15 58.677 58.677 58.888 -0.211 25585 2342 1 19 . 1 1 15 15 ILE CB C 15 43.373 43.373 40.416 2.957 25585 2343 1 19 . 1 1 15 15 ILE H H 15 6.727 6.727 7.303 -0.576 25585 2344 1 19 . 1 1 16 16 CYS N N 16 120.648 120.648 119.636 1.012 25585 2345 1 19 . 1 1 16 16 CYS HA H 16 5.192 5.192 5.293 -0.101 25585 2346 1 19 . 1 1 16 16 CYS CA C 16 55.993 55.993 58.746 -2.753 25585 2347 1 19 . 1 1 16 16 CYS CB C 16 43.124 43.124 27.428 15.696 25585 2348 1 19 . 1 1 16 16 CYS H H 16 8.811 8.811 8.723 0.088 25585 2349 1 19 . 1 1 17 17 THR N N 17 116.440 116.440 115.441 0.999 25585 2350 1 19 . 1 1 17 17 THR HA H 17 4.859 4.859 4.827 0.032 25585 2351 1 19 . 1 1 17 17 THR CB C 17 69.862 69.862 70.507 -0.645 25585 2352 1 19 . 1 1 17 17 THR H H 17 9.357 9.357 9.132 0.225 25585 2353 1 19 . 1 1 18 18 ILE N N 18 124.956 124.956 123.289 1.667 25585 2354 1 19 . 1 1 18 18 ILE HA H 18 3.392 3.392 3.059 0.333 25585 2355 1 19 . 1 1 18 18 ILE CA C 18 62.208 62.208 61.693 0.515 25585 2356 1 19 . 1 1 18 18 ILE CB C 18 38.935 38.935 38.471 0.464 25585 2357 1 19 . 1 1 18 18 ILE H H 18 8.493 8.493 8.290 0.203 25585 2358 1 19 . 1 1 19 19 THR N N 19 119.997 119.997 122.349 -2.352 25585 2359 1 19 . 1 1 19 19 THR HA H 19 4.331 4.331 4.371 -0.040 25585 2360 1 19 . 1 1 19 19 THR CA C 19 61.222 61.222 60.551 0.671 25585 2361 1 19 . 1 1 19 19 THR CB C 19 69.839 69.839 70.552 -0.713 25585 2362 1 19 . 1 1 19 19 THR H H 19 8.060 8.060 8.239 -0.179 25585 2363 1 19 . 1 1 20 20 LEU N N 20 125.150 125.150 125.422 -0.272 25585 2364 1 19 . 1 1 20 20 LEU HA H 20 4.287 4.287 4.195 0.092 25585 2365 1 19 . 1 1 20 20 LEU CA C 20 56.119 56.119 57.414 -1.295 25585 2366 1 19 . 1 1 20 20 LEU CB C 20 42.079 42.079 41.798 0.280 25585 2367 1 19 . 1 1 20 20 LEU H H 20 8.354 8.354 8.597 -0.243 25585 2368 1 19 . 1 1 21 21 SER N N 21 115.796 115.796 115.233 0.563 25585 2369 1 19 . 1 1 21 21 SER HA H 21 4.350 4.350 4.348 0.002 25585 2370 1 19 . 1 1 21 21 SER CA C 21 58.899 58.899 61.295 -2.396 25585 2371 1 19 . 1 1 21 21 SER CB C 21 63.363 63.363 63.002 0.361 25585 2372 1 19 . 1 1 21 21 SER H H 21 8.274 8.274 7.967 0.307 25585 2373 1 19 . 1 1 22 22 ARG N N 22 122.561 122.561 120.909 1.652 25585 2374 1 19 . 1 1 22 22 ARG HA H 22 4.289 4.289 4.050 0.239 25585 2375 1 19 . 1 1 22 22 ARG CA C 22 54.946 54.946 58.520 -3.574 25585 2376 1 19 . 1 1 22 22 ARG CB C 22 30.369 30.369 29.887 0.482 25585 2377 1 19 . 1 1 22 22 ARG H H 22 8.149 8.149 7.549 0.600 25585 2378 1 19 . 1 1 23 23 ILE N N 23 121.335 121.335 119.089 2.246 25585 2379 1 19 . 1 1 23 23 ILE HA H 23 4.001 4.001 3.839 0.162 25585 2380 1 19 . 1 1 23 23 ILE CA C 23 61.671 61.671 63.730 -2.059 25585 2381 1 19 . 1 1 23 23 ILE CB C 23 38.383 38.383 37.624 0.759 25585 2382 1 19 . 1 1 23 23 ILE H H 23 8.002 8.002 7.742 0.260 25585 2383 1 19 . 1 1 24 24 GLU N N 24 122.372 122.372 113.747 8.625 25585 2384 1 19 . 1 1 24 24 GLU HA H 24 4.209 4.209 4.412 -0.203 25585 2385 1 19 . 1 1 24 24 GLU CA C 24 56.115 56.115 55.597 0.518 25585 2386 1 19 . 1 1 24 24 GLU CB C 24 29.306 29.306 30.938 -1.632 25585 2387 1 19 . 1 1 24 24 GLU H H 24 8.317 8.317 8.550 -0.233 25585 2388 1 19 . 1 1 25 25 HIS N N 25 118.365 118.365 118.944 -0.579 25585 2389 1 19 . 1 1 25 25 HIS HA H 25 5.022 5.022 5.005 0.017 25585 2390 1 19 . 1 1 25 25 HIS CA C 25 52.772 52.772 54.156 -1.384 25585 2391 1 19 . 1 1 25 25 HIS CB C 25 28.551 28.551 29.740 -1.189 25585 2392 1 19 . 1 1 25 25 HIS H H 25 8.323 8.323 7.759 0.564 25585 2393 1 19 . 1 1 26 26 PRO HA H 26 4.468 4.468 4.743 -0.275 25585 2394 1 19 . 1 1 26 26 PRO CA C 26 63.834 63.834 64.178 -0.344 25585 2395 1 19 . 1 1 26 26 PRO CB C 26 31.936 31.936 32.127 -0.191 25585 2396 1 19 . 1 1 27 27 GLY N N 27 108.880 108.880 107.633 1.247 25585 2397 1 19 . 1 1 27 27 GLY CA C 27 45.212 45.212 46.862 -1.650 25585 2398 1 19 . 1 1 27 27 GLY H H 27 8.594 8.594 8.822 -0.228 25585 2399 1 19 . 1 1 28 28 ASN N N 28 118.144 118.144 120.008 -1.864 25585 2400 1 19 . 1 1 28 28 ASN HA H 28 4.665 4.665 4.424 0.241 25585 2401 1 19 . 1 1 28 28 ASN CA C 28 52.967 52.967 54.818 -1.851 25585 2402 1 19 . 1 1 28 28 ASN CB C 28 38.579 38.579 38.470 0.109 25585 2403 1 19 . 1 1 28 28 ASN H H 28 8.154 8.154 7.968 0.186 25585 2404 1 19 . 1 1 29 29 TYR N N 29 119.962 119.962 117.788 2.174 25585 2405 1 19 . 1 1 29 29 TYR HA H 29 4.520 4.520 4.740 -0.220 25585 2406 1 19 . 1 1 29 29 TYR CA C 29 57.544 57.544 57.122 0.422 25585 2407 1 19 . 1 1 29 29 TYR CB C 29 39.011 39.011 38.001 1.010 25585 2408 1 19 . 1 1 29 29 TYR H H 29 8.058 8.058 7.593 0.465 25585 2409 1 19 . 1 1 30 30 ASP N N 30 120.874 120.874 118.497 2.377 25585 2410 1 19 . 1 1 30 30 ASP HA H 30 4.679 4.679 4.605 0.074 25585 2411 1 19 . 1 1 30 30 ASP CA C 30 52.827 52.827 53.456 -0.629 25585 2412 1 19 . 1 1 30 30 ASP CB C 30 38.567 38.567 40.086 -1.519 25585 2413 1 19 . 1 1 30 30 ASP H H 30 8.226 8.226 7.780 0.446 25585 2414 1 20 . 1 1 3 3 CYS N N 3 120.614 120.614 123.773 -3.159 25585 2415 1 20 . 1 1 3 3 CYS HA H 3 4.799 4.799 4.483 0.316 25585 2416 1 20 . 1 1 3 3 CYS CA C 3 51.792 51.792 57.724 -5.931 25585 2417 1 20 . 1 1 3 3 CYS CB C 3 42.170 42.170 29.903 12.267 25585 2418 1 20 . 1 1 3 3 CYS H H 3 7.958 7.958 7.603 0.355 25585 2419 1 20 . 1 1 4 4 GLN N N 4 121.450 121.450 121.590 -0.140 25585 2420 1 20 . 1 1 4 4 GLN HA H 4 4.180 4.180 4.086 0.094 25585 2421 1 20 . 1 1 4 4 GLN CA C 4 54.557 54.557 53.294 1.263 25585 2422 1 20 . 1 1 4 4 GLN CB C 4 27.191 27.191 28.206 -1.015 25585 2423 1 20 . 1 1 4 4 GLN H H 4 8.737 8.737 8.164 0.573 25585 2424 1 20 . 1 1 5 5 PRO HA H 5 4.409 4.409 4.197 0.212 25585 2425 1 20 . 1 1 5 5 PRO CA C 5 64.354 64.354 63.986 0.368 25585 2426 1 20 . 1 1 5 5 PRO CB C 5 31.710 31.710 31.947 -0.237 25585 2427 1 20 . 1 1 6 6 GLY N N 6 111.865 111.865 110.306 1.559 25585 2428 1 20 . 1 1 6 6 GLY CA C 6 45.063 45.063 45.431 -0.368 25585 2429 1 20 . 1 1 6 6 GLY H H 6 8.948 8.948 8.611 0.337 25585 2430 1 20 . 1 1 7 7 TYR N N 7 120.136 120.136 120.009 0.127 25585 2431 1 20 . 1 1 7 7 TYR HA H 7 5.057 5.057 4.884 0.173 25585 2432 1 20 . 1 1 7 7 TYR CA C 7 56.393 56.393 56.615 -0.222 25585 2433 1 20 . 1 1 7 7 TYR CB C 7 41.345 41.345 41.695 -0.350 25585 2434 1 20 . 1 1 7 7 TYR H H 7 8.300 8.300 7.525 0.775 25585 2435 1 20 . 1 1 8 8 ALA N N 8 121.599 121.599 122.666 -1.067 25585 2436 1 20 . 1 1 8 8 ALA HA H 8 4.686 4.686 4.680 0.006 25585 2437 1 20 . 1 1 8 8 ALA CA C 8 50.942 50.942 50.530 0.412 25585 2438 1 20 . 1 1 8 8 ALA CB C 8 22.157 22.157 22.006 0.150 25585 2439 1 20 . 1 1 8 8 ALA H H 8 9.286 9.286 8.978 0.308 25585 2440 1 20 . 1 1 9 9 TYR N N 9 124.797 124.797 124.954 -0.157 25585 2441 1 20 . 1 1 9 9 TYR HA H 9 4.338 4.338 4.235 0.103 25585 2442 1 20 . 1 1 9 9 TYR CA C 9 59.315 59.315 58.154 1.161 25585 2443 1 20 . 1 1 9 9 TYR CB C 9 38.798 38.798 38.187 0.611 25585 2444 1 20 . 1 1 9 9 TYR H H 9 9.112 9.112 8.732 0.380 25585 2445 1 20 . 1 1 10 10 ASN N N 10 128.087 128.087 125.862 2.225 25585 2446 1 20 . 1 1 10 10 ASN HA H 10 5.079 5.079 4.873 0.206 25585 2447 1 20 . 1 1 10 10 ASN CA C 10 49.172 49.172 49.489 -0.317 25585 2448 1 20 . 1 1 10 10 ASN CB C 10 38.824 38.824 40.364 -1.540 25585 2449 1 20 . 1 1 10 10 ASN H H 10 8.210 8.210 8.404 -0.194 25585 2450 1 20 . 1 1 11 11 PRO HA H 11 4.065 4.065 4.344 -0.279 25585 2451 1 20 . 1 1 11 11 PRO CA C 11 63.988 63.988 63.885 0.103 25585 2452 1 20 . 1 1 11 11 PRO CB C 11 32.043 32.043 31.667 0.376 25585 2453 1 20 . 1 1 12 12 VAL N N 12 119.341 119.341 116.211 3.130 25585 2454 1 20 . 1 1 12 12 VAL HA H 12 3.758 3.758 4.096 -0.338 25585 2455 1 20 . 1 1 12 12 VAL CA C 12 65.103 65.103 63.315 1.788 25585 2456 1 20 . 1 1 12 12 VAL CB C 12 31.723 31.723 31.648 0.074 25585 2457 1 20 . 1 1 12 12 VAL H H 12 7.570 7.570 7.499 0.071 25585 2458 1 20 . 1 1 13 13 LEU N N 13 116.412 116.412 120.356 -3.944 25585 2459 1 20 . 1 1 13 13 LEU HA H 13 4.289 4.289 4.670 -0.381 25585 2460 1 20 . 1 1 13 13 LEU CA C 13 55.820 55.820 55.337 0.483 25585 2461 1 20 . 1 1 13 13 LEU CB C 13 43.984 43.984 44.677 -0.693 25585 2462 1 20 . 1 1 13 13 LEU H H 13 6.902 6.902 7.498 -0.596 25585 2463 1 20 . 1 1 14 14 GLY N N 14 108.651 108.651 106.662 1.989 25585 2464 1 20 . 1 1 14 14 GLY CA C 14 46.243 46.243 45.187 1.056 25585 2465 1 20 . 1 1 14 14 GLY H H 14 8.387 8.387 8.403 -0.016 25585 2466 1 20 . 1 1 15 15 ILE N N 15 109.703 109.703 112.730 -3.027 25585 2467 1 20 . 1 1 15 15 ILE HA H 15 4.829 4.829 4.734 0.095 25585 2468 1 20 . 1 1 15 15 ILE CA C 15 58.677 58.677 58.807 -0.130 25585 2469 1 20 . 1 1 15 15 ILE CB C 15 43.373 43.373 40.241 3.132 25585 2470 1 20 . 1 1 15 15 ILE H H 15 6.727 6.727 7.373 -0.646 25585 2471 1 20 . 1 1 16 16 CYS N N 16 120.648 120.648 119.916 0.732 25585 2472 1 20 . 1 1 16 16 CYS HA H 16 5.192 5.192 5.252 -0.060 25585 2473 1 20 . 1 1 16 16 CYS CA C 16 55.993 55.993 58.557 -2.564 25585 2474 1 20 . 1 1 16 16 CYS CB C 16 43.124 43.124 26.970 16.154 25585 2475 1 20 . 1 1 16 16 CYS H H 16 8.811 8.811 8.664 0.147 25585 2476 1 20 . 1 1 17 17 THR N N 17 116.440 116.440 114.805 1.635 25585 2477 1 20 . 1 1 17 17 THR HA H 17 4.859 4.859 4.910 -0.051 25585 2478 1 20 . 1 1 17 17 THR CB C 17 69.862 69.862 71.921 -2.059 25585 2479 1 20 . 1 1 17 17 THR H H 17 9.357 9.357 8.936 0.421 25585 2480 1 20 . 1 1 18 18 ILE N N 18 124.956 124.956 123.678 1.278 25585 2481 1 20 . 1 1 18 18 ILE HA H 18 3.392 3.392 3.023 0.369 25585 2482 1 20 . 1 1 18 18 ILE CA C 18 62.208 62.208 61.546 0.662 25585 2483 1 20 . 1 1 18 18 ILE CB C 18 38.935 38.935 38.184 0.751 25585 2484 1 20 . 1 1 18 18 ILE H H 18 8.493 8.493 8.407 0.086 25585 2485 1 20 . 1 1 19 19 THR N N 19 119.997 119.997 122.368 -2.371 25585 2486 1 20 . 1 1 19 19 THR HA H 19 4.331 4.331 4.344 -0.013 25585 2487 1 20 . 1 1 19 19 THR CA C 19 61.222 61.222 60.321 0.901 25585 2488 1 20 . 1 1 19 19 THR CB C 19 69.839 69.839 70.373 -0.534 25585 2489 1 20 . 1 1 19 19 THR H H 19 8.060 8.060 7.757 0.303 25585 2490 1 20 . 1 1 20 20 LEU N N 20 125.150 125.150 126.224 -1.074 25585 2491 1 20 . 1 1 20 20 LEU HA H 20 4.287 4.287 4.002 0.285 25585 2492 1 20 . 1 1 20 20 LEU CA C 20 56.119 56.119 57.566 -1.447 25585 2493 1 20 . 1 1 20 20 LEU CB C 20 42.079 42.079 41.741 0.338 25585 2494 1 20 . 1 1 20 20 LEU H H 20 8.354 8.354 8.704 -0.350 25585 2495 1 20 . 1 1 21 21 SER N N 21 115.796 115.796 114.510 1.286 25585 2496 1 20 . 1 1 21 21 SER HA H 21 4.350 4.350 3.646 0.704 25585 2497 1 20 . 1 1 21 21 SER CA C 21 58.899 58.899 61.110 -2.211 25585 2498 1 20 . 1 1 21 21 SER CB C 21 63.363 63.363 62.344 1.018 25585 2499 1 20 . 1 1 21 21 SER H H 21 8.274 8.274 7.619 0.655 25585 2500 1 20 . 1 1 22 22 ARG N N 22 122.561 122.561 119.883 2.678 25585 2501 1 20 . 1 1 22 22 ARG HA H 22 4.289 4.289 3.379 0.910 25585 2502 1 20 . 1 1 22 22 ARG CA C 22 54.946 54.946 58.064 -3.118 25585 2503 1 20 . 1 1 22 22 ARG CB C 22 30.369 30.369 29.870 0.499 25585 2504 1 20 . 1 1 22 22 ARG H H 22 8.149 8.149 7.101 1.048 25585 2505 1 20 . 1 1 23 23 ILE N N 23 121.335 121.335 118.147 3.188 25585 2506 1 20 . 1 1 23 23 ILE HA H 23 4.001 4.001 3.794 0.207 25585 2507 1 20 . 1 1 23 23 ILE CA C 23 61.671 61.671 63.760 -2.089 25585 2508 1 20 . 1 1 23 23 ILE CB C 23 38.383 38.383 37.789 0.594 25585 2509 1 20 . 1 1 23 23 ILE H H 23 8.002 8.002 7.426 0.576 25585 2510 1 20 . 1 1 24 24 GLU N N 24 122.372 122.372 113.512 8.860 25585 2511 1 20 . 1 1 24 24 GLU HA H 24 4.209 4.209 4.426 -0.217 25585 2512 1 20 . 1 1 24 24 GLU CA C 24 56.115 56.115 55.051 1.064 25585 2513 1 20 . 1 1 24 24 GLU CB C 24 29.306 29.306 32.242 -2.936 25585 2514 1 20 . 1 1 24 24 GLU H H 24 8.317 8.317 8.264 0.053 25585 2515 1 20 . 1 1 25 25 HIS N N 25 118.365 118.365 115.272 3.093 25585 2516 1 20 . 1 1 25 25 HIS HA H 25 5.022 5.022 4.453 0.569 25585 2517 1 20 . 1 1 25 25 HIS CA C 25 52.772 52.772 55.903 -3.131 25585 2518 1 20 . 1 1 25 25 HIS CB C 25 28.551 28.551 27.634 0.917 25585 2519 1 20 . 1 1 25 25 HIS H H 25 8.323 8.323 8.282 0.041 25585 2520 1 20 . 1 1 26 26 PRO HA H 26 4.468 4.468 4.481 -0.013 25585 2521 1 20 . 1 1 26 26 PRO CA C 26 63.834 63.834 65.671 -1.837 25585 2522 1 20 . 1 1 26 26 PRO CB C 26 31.936 31.936 31.649 0.287 25585 2523 1 20 . 1 1 27 27 GLY N N 27 108.880 108.880 107.236 1.644 25585 2524 1 20 . 1 1 27 27 GLY CA C 27 45.212 45.212 46.751 -1.539 25585 2525 1 20 . 1 1 27 27 GLY H H 27 8.594 8.594 8.488 0.106 25585 2526 1 20 . 1 1 28 28 ASN N N 28 118.144 118.144 118.799 -0.655 25585 2527 1 20 . 1 1 28 28 ASN HA H 28 4.665 4.665 4.492 0.173 25585 2528 1 20 . 1 1 28 28 ASN CA C 28 52.967 52.967 55.279 -2.312 25585 2529 1 20 . 1 1 28 28 ASN CB C 28 38.579 38.579 37.911 0.668 25585 2530 1 20 . 1 1 28 28 ASN H H 28 8.154 8.154 8.407 -0.253 25585 2531 1 20 . 1 1 29 29 TYR N N 29 119.962 119.962 116.185 3.777 25585 2532 1 20 . 1 1 29 29 TYR HA H 29 4.520 4.520 4.633 -0.113 25585 2533 1 20 . 1 1 29 29 TYR CA C 29 57.544 57.544 57.474 0.070 25585 2534 1 20 . 1 1 29 29 TYR CB C 29 39.011 39.011 38.755 0.256 25585 2535 1 20 . 1 1 29 29 TYR H H 29 8.058 8.058 7.766 0.292 25585 2536 1 20 . 1 1 30 30 ASP N N 30 120.874 120.874 118.523 2.351 25585 2537 1 20 . 1 1 30 30 ASP HA H 30 4.679 4.679 4.308 0.371 25585 2538 1 20 . 1 1 30 30 ASP CA C 30 52.827 52.827 55.461 -2.634 25585 2539 1 20 . 1 1 30 30 ASP CB C 30 38.567 38.567 39.384 -0.817 25585 2540 1 20 . 1 1 30 30 ASP H H 30 8.226 8.226 7.611 0.615 25585 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 25 2.891 -0.435 2.917 25585 2 1 1 "Average Difference" HA 30 0.350 -0.129 0.330 25585 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25585 4 1 1 "Average Difference" CA 27 1.815 0.583 1.751 25585 5 1 1 "Average Difference" CB 25 4.085 -0.968 4.050 25585 6 1 1 "Average Difference" HN 25 0.411 -0.125 0.400 25585 7 1 2 "Average Difference" N 25 2.324 -0.277 2.355 25585 8 1 2 "Average Difference" HA 30 0.223 -0.053 0.220 25585 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25585 10 1 2 "Average Difference" CA 27 1.855 0.689 1.755 25585 11 1 2 "Average Difference" CB 25 4.211 -0.991 4.178 25585 12 1 2 "Average Difference" HN 25 0.413 -0.103 0.408 25585 13 1 3 "Average Difference" N 25 3.008 -0.983 2.901 25585 14 1 3 "Average Difference" HA 30 0.232 -0.084 0.220 25585 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25585 16 1 3 "Average Difference" CA 27 1.778 0.649 1.687 25585 17 1 3 "Average Difference" CB 25 4.150 -1.092 4.087 25585 18 1 3 "Average Difference" HN 25 0.410 -0.133 0.396 25585 19 1 4 "Average Difference" N 25 2.472 -0.447 2.482 25585 20 1 4 "Average Difference" HA 30 0.210 -0.057 0.205 25585 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25585 22 1 4 "Average Difference" CA 27 1.695 0.510 1.647 25585 23 1 4 "Average Difference" CB 25 4.124 -1.086 4.061 25585 24 1 4 "Average Difference" HN 25 0.395 -0.146 0.374 25585 25 1 5 "Average Difference" N 25 3.243 -1.104 3.112 25585 26 1 5 "Average Difference" HA 30 0.226 -0.094 0.209 25585 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25585 28 1 5 "Average Difference" CA 27 1.714 0.591 1.640 25585 29 1 5 "Average Difference" CB 25 4.180 -1.151 4.101 25585 30 1 5 "Average Difference" HN 25 0.400 -0.162 0.373 25585 31 1 6 "Average Difference" N 25 2.609 -0.833 2.524 25585 32 1 6 "Average Difference" HA 30 0.217 -0.049 0.215 25585 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25585 34 1 6 "Average Difference" CA 27 1.905 0.783 1.769 25585 35 1 6 "Average Difference" CB 25 4.134 -1.041 4.084 25585 36 1 6 "Average Difference" HN 25 0.355 -0.084 0.351 25585 37 1 7 "Average Difference" N 25 3.044 -1.025 2.925 25585 38 1 7 "Average Difference" HA 30 0.238 -0.083 0.227 25585 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25585 40 1 7 "Average Difference" CA 27 1.824 0.630 1.744 25585 41 1 7 "Average Difference" CB 25 4.201 -1.129 4.130 25585 42 1 7 "Average Difference" HN 25 0.393 -0.128 0.379 25585 43 1 8 "Average Difference" N 25 2.093 -0.282 2.117 25585 44 1 8 "Average Difference" HA 30 0.199 -0.020 0.201 25585 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25585 46 1 8 "Average Difference" CA 27 1.794 0.561 1.737 25585 47 1 8 "Average Difference" CB 25 4.122 -1.020 4.076 25585 48 1 8 "Average Difference" HN 25 0.507 -0.176 0.485 25585 49 1 9 "Average Difference" N 25 2.449 -0.662 2.406 25585 50 1 9 "Average Difference" HA 30 0.195 -0.040 0.194 25585 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25585 52 1 9 "Average Difference" CA 27 1.855 0.728 1.738 25585 53 1 9 "Average Difference" CB 25 4.145 -1.137 4.069 25585 54 1 9 "Average Difference" HN 25 0.388 -0.111 0.380 25585 55 1 10 "Average Difference" N 25 2.353 -0.302 2.382 25585 56 1 10 "Average Difference" HA 30 0.242 -0.042 0.242 25585 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25585 58 1 10 "Average Difference" CA 27 1.681 0.396 1.664 25585 59 1 10 "Average Difference" CB 25 4.117 -0.938 4.091 25585 60 1 10 "Average Difference" HN 25 0.469 -0.175 0.444 25585 61 1 11 "Average Difference" N 25 3.070 -1.034 2.950 25585 62 1 11 "Average Difference" HA 30 0.233 -0.100 0.214 25585 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25585 64 1 11 "Average Difference" CA 27 1.708 0.565 1.642 25585 65 1 11 "Average Difference" CB 25 4.102 -1.174 4.011 25585 66 1 11 "Average Difference" HN 25 0.380 -0.117 0.369 25585 67 1 12 "Average Difference" N 25 2.763 -0.799 2.700 25585 68 1 12 "Average Difference" HA 30 0.318 -0.099 0.308 25585 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25585 70 1 12 "Average Difference" CA 27 1.667 0.379 1.654 25585 71 1 12 "Average Difference" CB 25 4.182 -1.034 4.136 25585 72 1 12 "Average Difference" HN 25 0.434 -0.125 0.425 25585 73 1 13 "Average Difference" N 25 2.662 -0.907 2.554 25585 74 1 13 "Average Difference" HA 30 0.249 -0.045 0.249 25585 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25585 76 1 13 "Average Difference" CA 27 1.817 0.303 1.825 25585 77 1 13 "Average Difference" CB 25 4.201 -1.150 4.124 25585 78 1 13 "Average Difference" HN 25 0.449 -0.164 0.427 25585 79 1 14 "Average Difference" N 25 2.890 -1.039 2.752 25585 80 1 14 "Average Difference" HA 30 0.231 -0.092 0.216 25585 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25585 82 1 14 "Average Difference" CA 27 1.891 0.777 1.757 25585 83 1 14 "Average Difference" CB 25 4.093 -1.096 4.025 25585 84 1 14 "Average Difference" HN 25 0.362 -0.102 0.355 25585 85 1 15 "Average Difference" N 25 2.271 -0.589 2.239 25585 86 1 15 "Average Difference" HA 30 0.229 -0.047 0.228 25585 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25585 88 1 15 "Average Difference" CA 27 1.612 0.341 1.606 25585 89 1 15 "Average Difference" CB 25 4.044 -0.994 4.000 25585 90 1 15 "Average Difference" HN 25 0.531 -0.227 0.490 25585 91 1 16 "Average Difference" N 25 2.582 -0.516 2.582 25585 92 1 16 "Average Difference" HA 30 0.271 -0.060 0.269 25585 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25585 94 1 16 "Average Difference" CA 27 1.700 0.568 1.633 25585 95 1 16 "Average Difference" CB 25 4.201 -0.863 4.196 25585 96 1 16 "Average Difference" HN 25 0.480 -0.186 0.451 25585 97 1 17 "Average Difference" N 25 2.511 -0.882 2.399 25585 98 1 17 "Average Difference" HA 30 0.208 -0.051 0.205 25585 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25585 100 1 17 "Average Difference" CA 27 1.732 0.669 1.627 25585 101 1 17 "Average Difference" CB 25 4.048 -0.991 4.006 25585 102 1 17 "Average Difference" HN 25 0.384 -0.059 0.387 25585 103 1 18 "Average Difference" N 25 3.398 -1.591 3.065 25585 104 1 18 "Average Difference" HA 30 0.263 -0.083 0.254 25585 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25585 106 1 18 "Average Difference" CA 27 2.008 0.724 1.909 25585 107 1 18 "Average Difference" CB 25 4.249 -1.170 4.169 25585 108 1 18 "Average Difference" HN 25 0.418 -0.154 0.397 25585 109 1 19 "Average Difference" N 25 2.724 -0.688 2.690 25585 110 1 19 "Average Difference" HA 30 0.202 -0.036 0.202 25585 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25585 112 1 19 "Average Difference" CA 27 1.714 0.616 1.630 25585 113 1 19 "Average Difference" CB 25 4.088 -1.011 4.043 25585 114 1 19 "Average Difference" HN 25 0.403 -0.145 0.384 25585 115 1 20 "Average Difference" N 25 2.819 -0.958 2.705 25585 116 1 20 "Average Difference" HA 30 0.321 -0.141 0.293 25585 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25585 118 1 20 "Average Difference" CA 27 1.935 0.760 1.814 25585 119 1 20 "Average Difference" CB 25 4.212 -1.117 4.145 25585 120 1 20 "Average Difference" HN 25 0.449 -0.204 0.409 25585 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 25585 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 3 3 CYS N N 3 120.614 120.614 123.788 -3.174 25585 2 1 . 1 1 3 3 CYS HA H 3 4.799 4.799 4.540 0.259 25585 3 1 . 1 1 3 3 CYS CA C 3 51.792 51.792 57.456 -5.664 25585 4 1 . 1 1 3 3 CYS CB C 3 42.170 42.170 29.979 12.191 25585 5 1 . 1 1 3 3 CYS H H 3 7.958 7.958 7.601 0.357 25585 6 1 . 1 1 4 4 GLN N N 4 121.450 121.450 120.874 0.576 25585 7 1 . 1 1 4 4 GLN HA H 4 4.180 4.180 4.141 0.039 25585 8 1 . 1 1 4 4 GLN CA C 4 54.557 54.557 53.055 1.502 25585 9 1 . 1 1 4 4 GLN CB C 4 27.191 27.191 28.402 -1.211 25585 10 1 . 1 1 4 4 GLN H H 4 8.737 8.737 8.166 0.571 25585 11 1 . 1 1 5 5 PRO HA H 5 4.409 4.409 4.219 0.190 25585 12 1 . 1 1 5 5 PRO CA C 5 64.354 64.354 64.297 0.057 25585 13 1 . 1 1 5 5 PRO CB C 5 31.710 31.710 31.716 -0.006 25585 14 1 . 1 1 6 6 GLY N N 6 111.865 111.865 110.149 1.716 25585 15 1 . 1 1 6 6 GLY CA C 6 45.063 45.063 45.601 -0.538 25585 16 1 . 1 1 6 6 GLY H H 6 8.948 8.948 8.660 0.288 25585 17 1 . 1 1 7 7 TYR N N 7 120.136 120.136 119.662 0.474 25585 18 1 . 1 1 7 7 TYR HA H 7 5.057 5.057 5.061 -0.004 25585 19 1 . 1 1 7 7 TYR CA C 7 56.393 56.393 56.509 -0.116 25585 20 1 . 1 1 7 7 TYR CB C 7 41.345 41.345 42.104 -0.759 25585 21 1 . 1 1 7 7 TYR H H 7 8.300 8.300 7.620 0.680 25585 22 1 . 1 1 8 8 ALA N N 8 121.599 121.599 122.689 -1.090 25585 23 1 . 1 1 8 8 ALA HA H 8 4.686 4.686 4.690 -0.004 25585 24 1 . 1 1 8 8 ALA CA C 8 50.942 50.942 50.676 0.266 25585 25 1 . 1 1 8 8 ALA CB C 8 22.157 22.157 22.129 0.028 25585 26 1 . 1 1 8 8 ALA H H 8 9.286 9.286 8.940 0.346 25585 27 1 . 1 1 9 9 TYR N N 9 124.797 124.797 124.399 0.398 25585 28 1 . 1 1 9 9 TYR HA H 9 4.338 4.338 4.242 0.096 25585 29 1 . 1 1 9 9 TYR CA C 9 59.315 59.315 58.349 0.966 25585 30 1 . 1 1 9 9 TYR CB C 9 38.798 38.798 38.225 0.573 25585 31 1 . 1 1 9 9 TYR H H 9 9.112 9.112 8.715 0.397 25585 32 1 . 1 1 10 10 ASN N N 10 128.087 128.087 125.769 2.318 25585 33 1 . 1 1 10 10 ASN HA H 10 5.079 5.079 4.914 0.165 25585 34 1 . 1 1 10 10 ASN CA C 10 49.172 49.172 49.510 -0.338 25585 35 1 . 1 1 10 10 ASN CB C 10 38.824 38.824 40.189 -1.365 25585 36 1 . 1 1 10 10 ASN H H 10 8.210 8.210 8.518 -0.308 25585 37 1 . 1 1 11 11 PRO HA H 11 4.065 4.065 4.216 -0.151 25585 38 1 . 1 1 11 11 PRO CA C 11 63.988 63.988 64.134 -0.146 25585 39 1 . 1 1 11 11 PRO CB C 11 32.043 32.043 31.569 0.474 25585 40 1 . 1 1 12 12 VAL N N 12 119.341 119.341 115.649 3.692 25585 41 1 . 1 1 12 12 VAL HA H 12 3.758 3.758 4.080 -0.322 25585 42 1 . 1 1 12 12 VAL CA C 12 65.103 65.103 63.315 1.788 25585 43 1 . 1 1 12 12 VAL CB C 12 31.723 31.723 31.808 -0.085 25585 44 1 . 1 1 12 12 VAL H H 12 7.570 7.570 7.504 0.066 25585 45 1 . 1 1 13 13 LEU N N 13 116.412 116.412 120.201 -3.789 25585 46 1 . 1 1 13 13 LEU HA H 13 4.289 4.289 4.716 -0.427 25585 47 1 . 1 1 13 13 LEU CA C 13 55.820 55.820 55.286 0.534 25585 48 1 . 1 1 13 13 LEU CB C 13 43.984 43.984 44.574 -0.590 25585 49 1 . 1 1 13 13 LEU H H 13 6.902 6.902 7.631 -0.729 25585 50 1 . 1 1 14 14 GLY N N 14 108.651 108.651 106.998 1.653 25585 51 1 . 1 1 14 14 GLY CA C 14 46.243 46.243 45.151 1.092 25585 52 1 . 1 1 14 14 GLY H H 14 8.387 8.387 8.509 -0.122 25585 53 1 . 1 1 15 15 ILE N N 15 109.703 109.703 113.514 -3.811 25585 54 1 . 1 1 15 15 ILE HA H 15 4.829 4.829 4.776 0.053 25585 55 1 . 1 1 15 15 ILE CA C 15 58.677 58.677 58.828 -0.151 25585 56 1 . 1 1 15 15 ILE CB C 15 43.373 43.373 40.292 3.081 25585 57 1 . 1 1 15 15 ILE H H 15 6.727 6.727 7.339 -0.612 25585 58 1 . 1 1 16 16 CYS N N 16 120.648 120.648 119.951 0.697 25585 59 1 . 1 1 16 16 CYS HA H 16 5.192 5.192 5.316 -0.124 25585 60 1 . 1 1 16 16 CYS CA C 16 55.993 55.993 58.585 -2.592 25585 61 1 . 1 1 16 16 CYS CB C 16 43.124 43.124 27.289 15.835 25585 62 1 . 1 1 16 16 CYS H H 16 8.811 8.811 8.702 0.109 25585 63 1 . 1 1 17 17 THR N N 17 116.440 116.440 115.125 1.315 25585 64 1 . 1 1 17 17 THR HA H 17 4.859 4.859 4.863 -0.004 25585 65 1 . 1 1 17 17 THR CB C 17 69.862 69.862 71.363 -1.501 25585 66 1 . 1 1 17 17 THR H H 17 9.357 9.357 9.037 0.320 25585 67 1 . 1 1 18 18 ILE N N 18 124.956 124.956 123.564 1.392 25585 68 1 . 1 1 18 18 ILE HA H 18 3.392 3.392 3.102 0.290 25585 69 1 . 1 1 18 18 ILE CA C 18 62.208 62.208 61.705 0.503 25585 70 1 . 1 1 18 18 ILE CB C 18 38.935 38.935 38.360 0.575 25585 71 1 . 1 1 18 18 ILE H H 18 8.493 8.493 8.376 0.117 25585 72 1 . 1 1 19 19 THR N N 19 119.997 119.997 122.410 -2.413 25585 73 1 . 1 1 19 19 THR HA H 19 4.331 4.331 4.430 -0.099 25585 74 1 . 1 1 19 19 THR CA C 19 61.222 61.222 60.172 1.050 25585 75 1 . 1 1 19 19 THR CB C 19 69.839 69.839 70.485 -0.646 25585 76 1 . 1 1 19 19 THR H H 19 8.060 8.060 8.152 -0.092 25585 77 1 . 1 1 20 20 LEU N N 20 125.150 125.150 125.392 -0.242 25585 78 1 . 1 1 20 20 LEU HA H 20 4.287 4.287 4.132 0.155 25585 79 1 . 1 1 20 20 LEU CA C 20 56.119 56.119 57.156 -1.037 25585 80 1 . 1 1 20 20 LEU CB C 20 42.079 42.079 41.604 0.474 25585 81 1 . 1 1 20 20 LEU H H 20 8.354 8.354 8.718 -0.364 25585 82 1 . 1 1 21 21 SER N N 21 115.796 115.796 114.576 1.220 25585 83 1 . 1 1 21 21 SER HA H 21 4.350 4.350 4.099 0.251 25585 84 1 . 1 1 21 21 SER CA C 21 58.899 58.899 60.953 -2.054 25585 85 1 . 1 1 21 21 SER CB C 21 63.363 63.363 62.887 0.476 25585 86 1 . 1 1 21 21 SER H H 21 8.274 8.274 8.029 0.245 25585 87 1 . 1 1 22 22 ARG N N 22 122.561 122.561 121.079 1.482 25585 88 1 . 1 1 22 22 ARG HA H 22 4.289 4.289 4.089 0.200 25585 89 1 . 1 1 22 22 ARG CA C 22 54.946 54.946 58.204 -3.258 25585 90 1 . 1 1 22 22 ARG CB C 22 30.369 30.369 30.162 0.207 25585 91 1 . 1 1 22 22 ARG H H 22 8.149 8.149 7.525 0.624 25585 92 1 . 1 1 23 23 ILE N N 23 121.335 121.335 119.153 2.182 25585 93 1 . 1 1 23 23 ILE HA H 23 4.001 4.001 3.895 0.106 25585 94 1 . 1 1 23 23 ILE CA C 23 61.671 61.671 63.406 -1.735 25585 95 1 . 1 1 23 23 ILE CB C 23 38.383 38.383 38.149 0.234 25585 96 1 . 1 1 23 23 ILE H H 23 8.002 8.002 7.712 0.290 25585 97 1 . 1 1 24 24 GLU N N 24 122.372 122.372 116.398 5.974 25585 98 1 . 1 1 24 24 GLU HA H 24 4.209 4.209 4.368 -0.159 25585 99 1 . 1 1 24 24 GLU CA C 24 56.115 56.115 55.586 0.529 25585 100 1 . 1 1 24 24 GLU CB C 24 29.306 29.306 30.599 -1.293 25585 101 1 . 1 1 24 24 GLU H H 24 8.317 8.317 8.223 0.094 25585 102 1 . 1 1 25 25 HIS N N 25 118.365 118.365 117.929 0.436 25585 103 1 . 1 1 25 25 HIS HA H 25 5.022 5.022 4.815 0.207 25585 104 1 . 1 1 25 25 HIS CA C 25 52.772 52.772 54.247 -1.475 25585 105 1 . 1 1 25 25 HIS CB C 25 28.551 28.551 29.083 -0.532 25585 106 1 . 1 1 25 25 HIS H H 25 8.323 8.323 7.998 0.325 25585 107 1 . 1 1 26 26 PRO HA H 26 4.468 4.468 4.353 0.115 25585 108 1 . 1 1 26 26 PRO CA C 26 63.834 63.834 64.624 -0.790 25585 109 1 . 1 1 26 26 PRO CB C 26 31.936 31.936 31.861 0.075 25585 110 1 . 1 1 27 27 GLY N N 27 108.880 108.880 105.829 3.051 25585 111 1 . 1 1 27 27 GLY CA C 27 45.212 45.212 46.011 -0.799 25585 112 1 . 1 1 27 27 GLY H H 27 8.594 8.594 8.536 0.058 25585 113 1 . 1 1 28 28 ASN N N 28 118.144 118.144 118.970 -0.826 25585 114 1 . 1 1 28 28 ASN HA H 28 4.665 4.665 4.381 0.284 25585 115 1 . 1 1 28 28 ASN CA C 28 52.967 52.967 54.487 -1.520 25585 116 1 . 1 1 28 28 ASN CB C 28 38.579 38.579 38.213 0.366 25585 117 1 . 1 1 28 28 ASN H H 28 8.154 8.154 7.949 0.205 25585 118 1 . 1 1 29 29 TYR N N 29 119.962 119.962 115.654 4.308 25585 119 1 . 1 1 29 29 TYR HA H 29 4.520 4.520 4.585 -0.065 25585 120 1 . 1 1 29 29 TYR CA C 29 57.544 57.544 57.451 0.093 25585 121 1 . 1 1 29 29 TYR CB C 29 39.011 39.011 37.619 1.392 25585 122 1 . 1 1 29 29 TYR H H 29 8.058 8.058 7.598 0.460 25585 123 1 . 1 1 30 30 ASP N N 30 120.874 120.874 119.219 1.655 25585 124 1 . 1 1 30 30 ASP HA H 30 4.679 4.679 4.372 0.307 25585 125 1 . 1 1 30 30 ASP CA C 30 52.827 52.827 54.956 -2.129 25585 126 1 . 1 1 30 30 ASP CB C 30 38.567 38.567 40.117 -1.550 25585 127 1 . 1 1 30 30 ASP H H 30 8.226 8.226 8.018 0.208 25585 stop_ save_