data_19811 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19811 _Entry.PDB_ID 2MLB 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 19811 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ASP N N 2 121.707 121.707 117.592 4.115 19811 2 1 1 . 1 1 2 2 ASP HA H 2 4.798 4.798 4.974 -0.176 19811 3 1 1 . 1 1 2 2 ASP CA C 2 54.249 54.249 54.159 0.090 19811 4 1 1 . 1 1 2 2 ASP CB C 2 42.163 42.163 43.079 -0.916 19811 5 1 1 . 1 1 2 2 ASP H H 2 8.479 8.479 8.383 0.096 19811 6 1 1 . 1 1 3 3 THR N N 3 109.876 109.876 111.951 -2.075 19811 7 1 1 . 1 1 3 3 THR HA H 3 5.324 5.324 5.537 -0.213 19811 8 1 1 . 1 1 3 3 THR CA C 3 59.553 59.553 60.238 -0.685 19811 9 1 1 . 1 1 3 3 THR CB C 3 72.235 72.235 70.802 1.433 19811 10 1 1 . 1 1 3 3 THR H H 3 7.857 7.857 7.584 0.273 19811 11 1 1 . 1 1 4 4 ILE N N 4 115.792 115.792 117.011 -1.219 19811 12 1 1 . 1 1 4 4 ILE HA H 4 4.464 4.464 4.587 -0.122 19811 13 1 1 . 1 1 4 4 ILE CA C 4 59.314 59.314 59.324 -0.010 19811 14 1 1 . 1 1 4 4 ILE CB C 4 41.940 41.940 41.352 0.588 19811 15 1 1 . 1 1 4 4 ILE H H 4 8.665 8.665 8.687 -0.022 19811 16 1 1 . 1 1 5 5 ASN N N 5 119.913 119.913 119.751 0.162 19811 17 1 1 . 1 1 5 5 ASN HA H 5 5.438 5.438 5.766 -0.328 19811 18 1 1 . 1 1 5 5 ASN CA C 5 51.594 51.594 51.543 0.051 19811 19 1 1 . 1 1 5 5 ASN CB C 5 41.031 41.031 40.902 0.129 19811 20 1 1 . 1 1 5 5 ASN H H 5 8.457 8.457 8.100 0.357 19811 21 1 1 . 1 1 6 6 ILE N N 6 122.674 122.674 121.734 0.940 19811 22 1 1 . 1 1 6 6 ILE HA H 6 5.035 5.035 4.630 0.405 19811 23 1 1 . 1 1 6 6 ILE CA C 6 57.857 57.857 59.084 -1.227 19811 24 1 1 . 1 1 6 6 ILE CB C 6 38.947 38.947 38.767 0.179 19811 25 1 1 . 1 1 6 6 ILE H H 6 9.426 9.426 8.526 0.900 19811 26 1 1 . 1 1 7 7 THR N N 7 124.398 124.398 123.670 0.728 19811 27 1 1 . 1 1 7 7 THR HA H 7 4.512 4.512 4.830 -0.318 19811 28 1 1 . 1 1 7 7 THR CA C 7 62.639 62.639 61.916 0.723 19811 29 1 1 . 1 1 7 7 THR CB C 7 69.074 69.074 69.179 -0.105 19811 30 1 1 . 1 1 7 7 THR H H 7 9.152 9.152 9.140 0.012 19811 31 1 1 . 1 1 8 8 LEU N N 8 127.909 127.909 126.522 1.387 19811 32 1 1 . 1 1 8 8 LEU HA H 8 4.601 4.601 4.770 -0.169 19811 33 1 1 . 1 1 8 8 LEU CA C 8 53.537 53.537 52.105 1.432 19811 34 1 1 . 1 1 8 8 LEU CB C 8 39.928 39.928 43.185 -3.257 19811 35 1 1 . 1 1 8 8 LEU H H 8 8.992 8.992 7.982 1.010 19811 36 1 1 . 1 1 9 9 PRO HA H 9 4.419 4.419 4.390 0.029 19811 37 1 1 . 1 1 9 9 PRO CA C 9 65.184 65.184 64.726 0.458 19811 38 1 1 . 1 1 9 9 PRO CB C 9 31.999 31.999 31.752 0.247 19811 39 1 1 . 1 1 10 10 ASP N N 10 113.521 113.521 117.280 -3.759 19811 40 1 1 . 1 1 10 10 ASP HA H 10 4.490 4.490 4.640 -0.150 19811 41 1 1 . 1 1 10 10 ASP CA C 10 53.129 53.129 54.474 -1.345 19811 42 1 1 . 1 1 10 10 ASP CB C 10 39.986 39.986 41.012 -1.026 19811 43 1 1 . 1 1 10 10 ASP H H 10 7.678 7.678 8.143 -0.465 19811 44 1 1 . 1 1 11 11 GLY N N 11 108.658 108.658 106.978 1.680 19811 45 1 1 . 1 1 11 11 GLY CA C 11 45.218 45.218 44.934 0.284 19811 46 1 1 . 1 1 11 11 GLY H H 11 8.376 8.376 7.691 0.685 19811 47 1 1 . 1 1 12 12 LYS N N 12 121.449 121.449 119.194 2.255 19811 48 1 1 . 1 1 12 12 LYS HA H 12 4.331 4.331 4.646 -0.315 19811 49 1 1 . 1 1 12 12 LYS CA C 12 56.660 56.660 55.311 1.349 19811 50 1 1 . 1 1 12 12 LYS CB C 12 33.199 33.199 33.648 -0.449 19811 51 1 1 . 1 1 12 12 LYS H H 12 7.766 7.766 7.785 -0.019 19811 52 1 1 . 1 1 13 13 THR N N 13 113.928 113.928 112.814 1.114 19811 53 1 1 . 1 1 13 13 THR HA H 13 5.193 5.193 5.679 -0.486 19811 54 1 1 . 1 1 13 13 THR CA C 13 61.734 61.734 60.001 1.733 19811 55 1 1 . 1 1 13 13 THR CB C 13 71.481 71.481 70.709 0.772 19811 56 1 1 . 1 1 13 13 THR H H 13 8.248 8.248 8.201 0.047 19811 57 1 1 . 1 1 14 14 LEU N N 14 128.446 128.446 123.699 4.747 19811 58 1 1 . 1 1 14 14 LEU HA H 14 4.739 4.739 4.863 -0.124 19811 59 1 1 . 1 1 14 14 LEU CA C 14 53.403 53.403 53.949 -0.546 19811 60 1 1 . 1 1 14 14 LEU CB C 14 45.480 45.480 46.042 -0.562 19811 61 1 1 . 1 1 14 14 LEU H H 14 9.270 9.270 8.379 0.891 19811 62 1 1 . 1 1 15 15 THR N N 15 123.048 123.048 118.393 4.655 19811 63 1 1 . 1 1 15 15 THR HA H 15 5.191 5.191 5.306 -0.115 19811 64 1 1 . 1 1 15 15 THR CA C 15 61.986 61.986 61.122 0.864 19811 65 1 1 . 1 1 15 15 THR CB C 15 70.339 70.339 69.781 0.557 19811 66 1 1 . 1 1 15 15 THR H H 15 8.759 8.759 8.166 0.593 19811 67 1 1 . 1 1 16 16 LEU N N 16 125.874 125.874 127.653 -1.779 19811 68 1 1 . 1 1 16 16 LEU HA H 16 4.770 4.770 4.802 -0.032 19811 69 1 1 . 1 1 16 16 LEU CA C 16 53.222 53.222 53.393 -0.171 19811 70 1 1 . 1 1 16 16 LEU CB C 16 45.322 45.322 46.616 -1.294 19811 71 1 1 . 1 1 16 16 LEU H H 16 8.551 8.551 8.864 -0.313 19811 72 1 1 . 1 1 17 17 THR N N 17 117.080 117.080 120.335 -3.255 19811 73 1 1 . 1 1 17 17 THR HA H 17 4.629 4.629 5.267 -0.638 19811 74 1 1 . 1 1 17 17 THR CA C 17 61.950 61.950 61.499 0.451 19811 75 1 1 . 1 1 17 17 THR CB C 17 69.202 69.202 69.101 0.101 19811 76 1 1 . 1 1 17 17 THR H H 17 8.342 8.342 8.261 0.081 19811 77 1 1 . 1 1 18 18 VAL N N 18 116.699 116.699 121.745 -5.046 19811 78 1 1 . 1 1 18 18 VAL HA H 18 3.910 3.910 4.185 -0.275 19811 79 1 1 . 1 1 18 18 VAL CA C 18 58.565 58.565 59.110 -0.545 19811 80 1 1 . 1 1 18 18 VAL CB C 18 35.910 35.910 34.760 1.150 19811 81 1 1 . 1 1 18 18 VAL H H 18 8.131 8.131 8.833 -0.702 19811 82 1 1 . 1 1 19 19 THR N N 19 110.389 110.389 107.445 2.944 19811 83 1 1 . 1 1 19 19 THR HA H 19 4.807 4.807 4.916 -0.109 19811 84 1 1 . 1 1 19 19 THR CA C 19 58.916 58.916 58.559 0.356 19811 85 1 1 . 1 1 19 19 THR CB C 19 68.674 68.674 69.591 -0.917 19811 86 1 1 . 1 1 19 19 THR H H 19 6.219 6.219 7.617 -1.398 19811 87 1 1 . 1 1 20 20 PRO HA H 20 4.382 4.382 4.409 -0.027 19811 88 1 1 . 1 1 20 20 PRO CA C 20 65.110 65.110 64.832 0.278 19811 89 1 1 . 1 1 20 20 PRO CB C 20 31.996 31.996 31.912 0.084 19811 90 1 1 . 1 1 21 21 GLU N N 21 113.087 113.087 115.813 -2.726 19811 91 1 1 . 1 1 21 21 GLU HA H 21 4.350 4.350 4.323 0.027 19811 92 1 1 . 1 1 21 21 GLU CA C 21 56.513 56.513 56.250 0.263 19811 93 1 1 . 1 1 21 21 GLU CB C 21 29.153 29.153 29.680 -0.527 19811 94 1 1 . 1 1 21 21 GLU H H 21 7.960 7.960 8.391 -0.431 19811 95 1 1 . 1 1 22 22 PHE N N 22 123.828 123.828 119.522 4.306 19811 96 1 1 . 1 1 22 22 PHE HA H 22 4.518 4.518 4.554 -0.036 19811 97 1 1 . 1 1 22 22 PHE CA C 22 58.778 58.778 58.488 0.290 19811 98 1 1 . 1 1 22 22 PHE CB C 22 40.224 40.224 40.085 0.139 19811 99 1 1 . 1 1 22 22 PHE H H 22 7.724 7.724 7.749 -0.025 19811 100 1 1 . 1 1 23 23 THR N N 23 114.031 114.031 114.151 -0.120 19811 101 1 1 . 1 1 23 23 THR HA H 23 4.791 4.791 4.453 0.338 19811 102 1 1 . 1 1 23 23 THR CA C 23 60.340 60.340 60.746 -0.406 19811 103 1 1 . 1 1 23 23 THR CB C 23 71.791 71.791 70.362 1.429 19811 104 1 1 . 1 1 23 23 THR H H 23 8.504 8.504 8.263 0.241 19811 105 1 1 . 1 1 24 24 VAL N N 24 122.541 122.541 120.461 2.080 19811 106 1 1 . 1 1 24 24 VAL HA H 24 3.427 3.427 3.730 -0.303 19811 107 1 1 . 1 1 24 24 VAL CA C 24 66.745 66.745 66.962 -0.216 19811 108 1 1 . 1 1 24 24 VAL CB C 24 30.735 30.735 31.338 -0.603 19811 109 1 1 . 1 1 24 24 VAL H H 24 8.918 8.918 8.270 0.648 19811 110 1 1 . 1 1 25 25 LYS N N 25 121.079 121.079 119.386 1.693 19811 111 1 1 . 1 1 25 25 LYS HA H 25 3.912 3.912 3.982 -0.070 19811 112 1 1 . 1 1 25 25 LYS CA C 25 59.950 59.950 59.826 0.124 19811 113 1 1 . 1 1 25 25 LYS CB C 25 32.824 32.824 32.224 0.600 19811 114 1 1 . 1 1 25 25 LYS H H 25 8.622 8.622 8.185 0.437 19811 115 1 1 . 1 1 26 26 GLU N N 26 118.646 118.646 120.391 -1.745 19811 116 1 1 . 1 1 26 26 GLU HA H 26 3.859 3.859 4.316 -0.457 19811 117 1 1 . 1 1 26 26 GLU CA C 26 59.012 59.012 59.492 -0.480 19811 118 1 1 . 1 1 26 26 GLU CB C 26 29.344 29.344 29.441 -0.097 19811 119 1 1 . 1 1 26 26 GLU H H 26 7.734 7.734 7.499 0.235 19811 120 1 1 . 1 1 27 27 LEU N N 27 122.155 122.155 120.387 1.768 19811 121 1 1 . 1 1 27 27 LEU HA H 27 4.136 4.136 4.184 -0.048 19811 122 1 1 . 1 1 27 27 LEU CA C 27 58.226 58.226 58.099 0.128 19811 123 1 1 . 1 1 27 27 LEU CB C 27 41.986 41.986 42.060 -0.074 19811 124 1 1 . 1 1 27 27 LEU H H 27 8.000 8.000 8.249 -0.249 19811 125 1 1 . 1 1 28 28 ALA N N 28 121.362 121.362 120.208 1.154 19811 126 1 1 . 1 1 28 28 ALA HA H 28 3.837 3.837 4.069 -0.232 19811 127 1 1 . 1 1 28 28 ALA CA C 28 55.872 55.872 55.048 0.824 19811 128 1 1 . 1 1 28 28 ALA CB C 28 17.902 17.902 18.263 -0.361 19811 129 1 1 . 1 1 28 28 ALA H H 28 8.899 8.899 7.847 1.052 19811 130 1 1 . 1 1 29 29 GLU N N 29 116.582 116.582 117.870 -1.288 19811 131 1 1 . 1 1 29 29 GLU HA H 29 3.814 3.814 4.066 -0.252 19811 132 1 1 . 1 1 29 29 GLU CA C 29 59.849 59.849 58.737 1.112 19811 133 1 1 . 1 1 29 29 GLU CB C 29 29.185 29.185 29.226 -0.041 19811 134 1 1 . 1 1 29 29 GLU H H 29 8.437 8.437 8.006 0.431 19811 135 1 1 . 1 1 30 30 GLU N N 30 121.430 121.430 120.355 1.075 19811 136 1 1 . 1 1 30 30 GLU HA H 30 4.293 4.293 4.193 0.100 19811 137 1 1 . 1 1 30 30 GLU CA C 30 58.829 58.829 59.270 -0.441 19811 138 1 1 . 1 1 30 30 GLU CB C 30 28.720 28.720 29.601 -0.881 19811 139 1 1 . 1 1 30 30 GLU H H 30 7.877 7.877 7.888 -0.011 19811 140 1 1 . 1 1 31 31 ILE N N 31 119.644 119.644 120.325 -0.681 19811 141 1 1 . 1 1 31 31 ILE HA H 31 3.289 3.289 3.883 -0.594 19811 142 1 1 . 1 1 31 31 ILE CA C 31 65.937 65.937 63.082 2.855 19811 143 1 1 . 1 1 31 31 ILE CB C 31 38.338 38.338 38.073 0.265 19811 144 1 1 . 1 1 31 31 ILE H H 31 8.438 8.438 7.472 0.966 19811 145 1 1 . 1 1 32 32 ALA N N 32 120.190 120.190 121.609 -1.419 19811 146 1 1 . 1 1 32 32 ALA HA H 32 3.637 3.637 4.164 -0.527 19811 147 1 1 . 1 1 32 32 ALA CA C 32 56.071 56.071 54.689 1.382 19811 148 1 1 . 1 1 32 32 ALA CB C 32 17.287 17.287 18.219 -0.932 19811 149 1 1 . 1 1 32 32 ALA H H 32 8.609 8.609 7.837 0.772 19811 150 1 1 . 1 1 33 33 ARG N N 33 116.846 116.846 118.033 -1.187 19811 151 1 1 . 1 1 33 33 ARG HA H 33 4.085 4.085 4.067 0.018 19811 152 1 1 . 1 1 33 33 ARG CA C 33 59.367 59.367 58.970 0.397 19811 153 1 1 . 1 1 33 33 ARG CB C 33 30.575 30.575 30.404 0.171 19811 154 1 1 . 1 1 33 33 ARG H H 33 7.817 7.817 7.666 0.151 19811 155 1 1 . 1 1 34 34 ARG N N 34 118.212 118.212 117.470 0.742 19811 156 1 1 . 1 1 34 34 ARG HA H 34 4.078 4.078 4.173 -0.095 19811 157 1 1 . 1 1 34 34 ARG CA C 34 58.321 58.321 58.180 0.141 19811 158 1 1 . 1 1 34 34 ARG CB C 34 29.771 29.771 29.912 -0.141 19811 159 1 1 . 1 1 34 34 ARG H H 34 7.922 7.922 7.929 -0.007 19811 160 1 1 . 1 1 35 35 LEU N N 35 115.523 115.523 118.705 -3.182 19811 161 1 1 . 1 1 35 35 LEU HA H 35 4.426 4.426 4.499 -0.073 19811 162 1 1 . 1 1 35 35 LEU CA C 35 54.601 54.601 55.113 -0.512 19811 163 1 1 . 1 1 35 35 LEU CB C 35 42.895 42.895 43.414 -0.519 19811 164 1 1 . 1 1 35 35 LEU H H 35 7.999 7.999 7.588 0.411 19811 165 1 1 . 1 1 36 36 GLY N N 36 110.277 110.277 108.195 2.082 19811 166 1 1 . 1 1 36 36 GLY CA C 36 46.906 46.906 45.113 1.793 19811 167 1 1 . 1 1 36 36 GLY H H 36 7.864 7.864 8.052 -0.188 19811 168 1 1 . 1 1 37 37 LEU N N 37 119.310 119.310 119.580 -0.270 19811 169 1 1 . 1 1 37 37 LEU HA H 37 4.691 4.691 4.803 -0.112 19811 170 1 1 . 1 1 37 37 LEU CA C 37 52.642 52.642 53.107 -0.465 19811 171 1 1 . 1 1 37 37 LEU CB C 37 45.355 45.355 45.196 0.159 19811 172 1 1 . 1 1 37 37 LEU H H 37 8.025 8.025 8.097 -0.072 19811 173 1 1 . 1 1 38 38 SER N N 38 115.906 115.906 115.771 0.135 19811 174 1 1 . 1 1 38 38 SER HA H 38 4.955 4.955 4.914 0.041 19811 175 1 1 . 1 1 38 38 SER CA C 38 55.376 55.376 55.631 -0.255 19811 176 1 1 . 1 1 38 38 SER CB C 38 63.732 63.732 63.772 -0.040 19811 177 1 1 . 1 1 38 38 SER H H 38 8.662 8.662 8.317 0.345 19811 178 1 1 . 1 1 39 39 PRO HA H 39 3.976 3.976 4.286 -0.310 19811 179 1 1 . 1 1 39 39 PRO CA C 39 65.434 65.434 64.523 0.911 19811 180 1 1 . 1 1 39 39 PRO CB C 39 31.527 31.527 32.015 -0.488 19811 181 1 1 . 1 1 40 40 GLU N N 40 115.609 115.609 114.869 0.740 19811 182 1 1 . 1 1 40 40 GLU HA H 40 4.115 4.115 4.169 -0.054 19811 183 1 1 . 1 1 40 40 GLU CA C 40 57.861 57.861 57.901 -0.040 19811 184 1 1 . 1 1 40 40 GLU CB C 40 28.842 28.842 29.535 -0.693 19811 185 1 1 . 1 1 40 40 GLU H H 40 8.455 8.455 8.504 -0.049 19811 186 1 1 . 1 1 41 41 ASP N N 41 118.239 118.239 119.124 -0.885 19811 187 1 1 . 1 1 41 41 ASP HA H 41 4.711 4.711 4.726 -0.015 19811 188 1 1 . 1 1 41 41 ASP CA C 41 54.862 54.862 55.989 -1.127 19811 189 1 1 . 1 1 41 41 ASP CB C 41 41.920 41.920 42.586 -0.666 19811 190 1 1 . 1 1 41 41 ASP H H 41 7.814 7.814 7.894 -0.080 19811 191 1 1 . 1 1 42 42 ILE N N 42 116.579 116.579 120.660 -4.081 19811 192 1 1 . 1 1 42 42 ILE HA H 42 4.305 4.305 4.400 -0.095 19811 193 1 1 . 1 1 42 42 ILE CA C 42 60.232 60.232 61.364 -1.132 19811 194 1 1 . 1 1 42 42 ILE CB C 42 39.070 39.070 38.778 0.292 19811 195 1 1 . 1 1 42 42 ILE H H 42 7.069 7.069 7.381 -0.312 19811 196 1 1 . 1 1 43 43 LYS N N 43 128.374 128.374 126.207 2.167 19811 197 1 1 . 1 1 43 43 LYS HA H 43 4.489 4.489 4.720 -0.231 19811 198 1 1 . 1 1 43 43 LYS CA C 43 54.924 54.924 54.561 0.363 19811 199 1 1 . 1 1 43 43 LYS CB C 43 35.322 35.322 35.885 -0.563 19811 200 1 1 . 1 1 43 43 LYS H H 43 8.709 8.709 8.815 -0.106 19811 201 1 1 . 1 1 44 44 LEU N N 44 126.700 126.700 127.534 -0.834 19811 202 1 1 . 1 1 44 44 LEU HA H 44 5.368 5.368 4.586 0.782 19811 203 1 1 . 1 1 44 44 LEU CA C 44 52.839 52.839 54.924 -2.085 19811 204 1 1 . 1 1 44 44 LEU CB C 44 44.529 44.529 43.088 1.441 19811 205 1 1 . 1 1 44 44 LEU H H 44 8.929 8.929 8.769 0.160 19811 206 1 1 . 1 1 45 45 THR N N 45 112.945 112.945 120.455 -7.510 19811 207 1 1 . 1 1 45 45 THR HA H 45 5.282 5.282 5.077 0.205 19811 208 1 1 . 1 1 45 45 THR CA C 45 59.240 59.240 61.091 -1.851 19811 209 1 1 . 1 1 45 45 THR CB C 45 72.146 72.146 69.876 2.269 19811 210 1 1 . 1 1 45 45 THR H H 45 8.846 8.846 8.154 0.692 19811 211 1 1 . 1 1 46 46 HIS N N 46 120.347 120.347 124.728 -4.381 19811 212 1 1 . 1 1 46 46 HIS HA H 46 4.956 4.956 4.814 0.142 19811 213 1 1 . 1 1 46 46 HIS CA C 46 55.757 55.757 55.406 0.351 19811 214 1 1 . 1 1 46 46 HIS CB C 46 34.673 34.673 33.033 1.640 19811 215 1 1 . 1 1 46 46 HIS H H 46 8.620 8.620 8.958 -0.338 19811 216 1 1 . 1 1 47 47 ASN N N 47 128.187 128.187 125.608 2.579 19811 217 1 1 . 1 1 47 47 ASN HA H 47 4.178 4.178 4.310 -0.132 19811 218 1 1 . 1 1 47 47 ASN CA C 47 53.481 53.481 53.699 -0.218 19811 219 1 1 . 1 1 47 47 ASN CB C 47 36.888 36.888 36.726 0.162 19811 220 1 1 . 1 1 47 47 ASN H H 47 9.136 9.136 9.085 0.051 19811 221 1 1 . 1 1 48 48 GLY N N 48 103.028 103.028 105.104 -2.076 19811 222 1 1 . 1 1 48 48 GLY CA C 48 45.279 45.279 44.982 0.297 19811 223 1 1 . 1 1 48 48 GLY H H 48 8.633 8.633 8.563 0.070 19811 224 1 1 . 1 1 49 49 LYS N N 49 121.730 121.730 120.256 1.474 19811 225 1 1 . 1 1 49 49 LYS HA H 49 4.572 4.572 4.713 -0.141 19811 226 1 1 . 1 1 49 49 LYS CA C 49 54.677 54.677 54.783 -0.106 19811 227 1 1 . 1 1 49 49 LYS CB C 49 33.823 33.823 36.094 -2.272 19811 228 1 1 . 1 1 49 49 LYS H H 49 7.790 7.790 7.854 -0.064 19811 229 1 1 . 1 1 50 50 THR N N 50 121.190 121.190 114.494 6.696 19811 230 1 1 . 1 1 50 50 THR HA H 50 4.254 4.254 4.896 -0.642 19811 231 1 1 . 1 1 50 50 THR CA C 50 63.304 63.304 61.207 2.097 19811 232 1 1 . 1 1 50 50 THR CB C 50 68.732 68.732 69.879 -1.147 19811 233 1 1 . 1 1 50 50 THR H H 50 8.735 8.735 8.398 0.337 19811 234 1 1 . 1 1 51 51 LEU N N 51 127.406 127.406 124.468 2.938 19811 235 1 1 . 1 1 51 51 LEU HA H 51 3.973 3.973 4.136 -0.163 19811 236 1 1 . 1 1 51 51 LEU CA C 51 54.125 54.125 53.877 0.248 19811 237 1 1 . 1 1 51 51 LEU CB C 51 41.715 41.715 43.502 -1.787 19811 238 1 1 . 1 1 51 51 LEU H H 51 8.586 8.586 8.113 0.473 19811 239 1 1 . 1 1 52 52 ASP N N 52 126.711 126.711 124.086 2.625 19811 240 1 1 . 1 1 52 52 ASP HA H 52 4.840 4.840 4.892 -0.052 19811 241 1 1 . 1 1 52 52 ASP CA C 52 51.377 51.377 51.503 -0.126 19811 242 1 1 . 1 1 52 52 ASP CB C 52 43.019 43.019 43.050 -0.031 19811 243 1 1 . 1 1 52 52 ASP H H 52 8.974 8.974 8.197 0.777 19811 244 1 1 . 1 1 53 53 PRO HA H 53 4.095 4.095 4.347 -0.252 19811 245 1 1 . 1 1 53 53 PRO CA C 53 64.240 64.240 64.462 -0.222 19811 246 1 1 . 1 1 53 53 PRO CB C 53 33.077 33.077 32.106 0.971 19811 247 1 1 . 1 1 54 54 SER N N 54 110.024 110.024 112.963 -2.939 19811 248 1 1 . 1 1 54 54 SER HA H 54 4.330 4.330 4.350 -0.020 19811 249 1 1 . 1 1 54 54 SER CA C 54 59.971 59.971 59.493 0.478 19811 250 1 1 . 1 1 54 54 SER CB C 54 63.881 63.881 63.428 0.452 19811 251 1 1 . 1 1 54 54 SER H H 54 8.643 8.643 7.857 0.786 19811 252 1 1 . 1 1 55 55 LEU N N 55 123.514 123.514 120.271 3.243 19811 253 1 1 . 1 1 55 55 LEU HA H 55 4.645 4.645 4.560 0.085 19811 254 1 1 . 1 1 55 55 LEU CA C 55 50.579 50.579 54.108 -3.530 19811 255 1 1 . 1 1 55 55 LEU CB C 55 43.928 43.928 43.513 0.415 19811 256 1 1 . 1 1 55 55 LEU H H 55 7.722 7.722 7.348 0.374 19811 257 1 1 . 1 1 56 56 THR N N 56 107.845 107.845 109.014 -1.169 19811 258 1 1 . 1 1 56 56 THR HA H 56 4.921 4.921 4.562 0.359 19811 259 1 1 . 1 1 56 56 THR CA C 56 60.266 60.266 61.099 -0.833 19811 260 1 1 . 1 1 56 56 THR CB C 56 71.553 71.553 71.031 0.522 19811 261 1 1 . 1 1 56 56 THR H H 56 8.335 8.335 8.097 0.238 19811 262 1 1 . 1 1 57 57 LEU N N 57 118.354 118.354 120.127 -1.773 19811 263 1 1 . 1 1 57 57 LEU HA H 57 3.992 3.992 4.586 -0.594 19811 264 1 1 . 1 1 57 57 LEU CA C 57 58.658 58.658 56.841 1.817 19811 265 1 1 . 1 1 57 57 LEU CB C 57 39.774 39.774 42.401 -2.627 19811 266 1 1 . 1 1 57 57 LEU H H 57 8.117 8.117 8.845 -0.728 19811 267 1 1 . 1 1 58 58 ALA N N 58 120.467 120.467 119.308 1.159 19811 268 1 1 . 1 1 58 58 ALA HA H 58 4.075 4.075 4.215 -0.140 19811 269 1 1 . 1 1 58 58 ALA CA C 58 55.047 55.047 53.875 1.172 19811 270 1 1 . 1 1 58 58 ALA CB C 58 18.267 18.267 18.419 -0.152 19811 271 1 1 . 1 1 58 58 ALA H H 58 8.730 8.730 8.345 0.385 19811 272 1 1 . 1 1 59 59 GLU N N 59 119.907 119.907 118.106 1.801 19811 273 1 1 . 1 1 59 59 GLU HA H 59 3.935 3.935 4.171 -0.236 19811 274 1 1 . 1 1 59 59 GLU CA C 59 58.914 58.914 57.922 0.992 19811 275 1 1 . 1 1 59 59 GLU CB C 59 29.623 29.623 29.792 -0.169 19811 276 1 1 . 1 1 59 59 GLU H H 59 7.890 7.890 8.349 -0.459 19811 277 1 1 . 1 1 60 60 TYR N N 60 116.582 116.582 118.639 -2.057 19811 278 1 1 . 1 1 60 60 TYR HA H 60 4.554 4.554 4.397 0.157 19811 279 1 1 . 1 1 60 60 TYR CA C 60 59.463 59.463 58.732 0.731 19811 280 1 1 . 1 1 60 60 TYR CB C 60 40.288 40.288 39.231 1.057 19811 281 1 1 . 1 1 60 60 TYR H H 60 7.448 7.448 7.565 -0.117 19811 282 1 1 . 1 1 61 61 GLY N N 61 109.141 109.141 107.635 1.506 19811 283 1 1 . 1 1 61 61 GLY CA C 61 46.380 46.380 44.852 1.528 19811 284 1 1 . 1 1 61 61 GLY H H 61 8.067 8.067 7.726 0.341 19811 285 1 1 . 1 1 62 62 ILE N N 62 120.506 120.506 121.395 -0.889 19811 286 1 1 . 1 1 62 62 ILE HA H 62 3.614 3.614 4.195 -0.581 19811 287 1 1 . 1 1 62 62 ILE CA C 62 61.392 61.392 60.858 0.533 19811 288 1 1 . 1 1 62 62 ILE CB C 62 36.445 36.445 38.700 -2.255 19811 289 1 1 . 1 1 62 62 ILE H H 62 7.416 7.416 7.516 -0.100 19811 290 1 1 . 1 1 63 63 THR N N 63 117.984 117.984 119.750 -1.766 19811 291 1 1 . 1 1 63 63 THR HA H 63 4.528 4.528 4.841 -0.313 19811 292 1 1 . 1 1 63 63 THR CA C 63 58.942 58.942 59.195 -0.253 19811 293 1 1 . 1 1 63 63 THR CB C 63 68.304 68.304 69.029 -0.725 19811 294 1 1 . 1 1 63 63 THR H H 63 7.408 7.408 8.254 -0.846 19811 295 1 1 . 1 1 64 64 PRO HA H 64 4.237 4.237 4.293 -0.056 19811 296 1 1 . 1 1 64 64 PRO CA C 64 64.568 64.568 62.875 1.693 19811 297 1 1 . 1 1 64 64 PRO CB C 64 31.861 31.861 31.970 -0.109 19811 298 1 1 . 1 1 65 65 GLY N N 65 112.539 112.539 112.108 0.431 19811 299 1 1 . 1 1 65 65 GLY CA C 65 44.719 44.719 45.041 -0.322 19811 300 1 1 . 1 1 65 65 GLY H H 65 9.286 9.286 8.267 1.019 19811 301 1 1 . 1 1 66 66 SER N N 66 116.523 116.523 115.721 0.802 19811 302 1 1 . 1 1 66 66 SER HA H 66 4.535 4.535 4.799 -0.264 19811 303 1 1 . 1 1 66 66 SER CA C 66 60.415 60.415 57.242 3.173 19811 304 1 1 . 1 1 66 66 SER CB C 66 64.604 64.604 65.597 -0.993 19811 305 1 1 . 1 1 66 66 SER H H 66 7.822 7.822 8.047 -0.225 19811 306 1 1 . 1 1 67 67 THR N N 67 118.238 118.238 115.591 2.647 19811 307 1 1 . 1 1 67 67 THR HA H 67 5.342 5.342 4.394 0.948 19811 308 1 1 . 1 1 67 67 THR CA C 67 62.059 62.059 61.852 0.207 19811 309 1 1 . 1 1 67 67 THR CB C 67 70.858 70.858 68.969 1.889 19811 310 1 1 . 1 1 67 67 THR H H 67 8.715 8.715 8.321 0.394 19811 311 1 1 . 1 1 68 68 ILE N N 68 126.891 126.891 127.552 -0.661 19811 312 1 1 . 1 1 68 68 ILE HA H 68 4.761 4.761 4.376 0.385 19811 313 1 1 . 1 1 68 68 ILE CA C 68 59.434 59.434 59.498 -0.064 19811 314 1 1 . 1 1 68 68 ILE CB C 68 40.783 40.783 37.348 3.435 19811 315 1 1 . 1 1 68 68 ILE H H 68 9.097 9.097 8.180 0.917 19811 316 1 1 . 1 1 69 69 THR N N 69 120.333 120.333 120.481 -0.148 19811 317 1 1 . 1 1 69 69 THR HA H 69 4.566 4.566 4.720 -0.154 19811 318 1 1 . 1 1 69 69 THR CA C 69 63.014 63.014 60.995 2.019 19811 319 1 1 . 1 1 69 69 THR CB C 69 70.043 70.043 69.639 0.404 19811 320 1 1 . 1 1 69 69 THR H H 69 8.903 8.903 8.532 0.371 19811 321 1 1 . 1 1 70 70 LEU N N 70 126.490 126.490 122.621 3.869 19811 322 1 1 . 1 1 70 70 LEU HA H 70 4.984 4.984 5.216 -0.232 19811 323 1 1 . 1 1 70 70 LEU CA C 70 54.088 54.088 53.247 0.841 19811 324 1 1 . 1 1 70 70 LEU CB C 70 44.772 44.772 44.571 0.201 19811 325 1 1 . 1 1 70 70 LEU H H 70 8.191 8.191 7.815 0.376 19811 326 1 1 . 1 1 71 71 GLU N N 71 125.912 125.912 120.067 5.845 19811 327 1 1 . 1 1 71 71 GLU HA H 71 4.505 4.505 4.703 -0.198 19811 328 1 1 . 1 1 71 71 GLU CA C 71 54.828 54.828 55.572 -0.744 19811 329 1 1 . 1 1 71 71 GLU CB C 71 33.391 33.391 33.680 -0.289 19811 330 1 1 . 1 1 71 71 GLU H H 71 9.089 9.089 8.431 0.658 19811 331 1 1 . 1 1 72 72 ILE N N 72 123.229 123.229 122.737 0.492 19811 332 1 1 . 1 1 72 72 ILE HA H 72 4.570 4.570 4.481 0.089 19811 333 1 1 . 1 1 72 72 ILE CA C 72 59.629 59.629 60.019 -0.390 19811 334 1 1 . 1 1 72 72 ILE CB C 72 38.376 38.376 39.745 -1.369 19811 335 1 1 . 1 1 72 72 ILE H H 72 8.526 8.526 8.520 0.006 19811 336 1 1 . 1 1 73 73 LYS N N 73 129.392 129.392 127.495 1.897 19811 337 1 1 . 1 1 73 73 LYS HA H 73 4.178 4.178 4.626 -0.448 19811 338 1 1 . 1 1 73 73 LYS CA C 73 56.564 56.564 55.396 1.168 19811 339 1 1 . 1 1 73 73 LYS CB C 73 33.320 33.320 33.627 -0.306 19811 340 1 1 . 1 1 73 73 LYS H H 73 8.837 8.837 8.247 0.590 19811 341 1 1 . 1 1 74 74 LYS N N 74 123.476 123.476 121.975 1.501 19811 342 1 1 . 1 1 74 74 LYS HA H 74 4.255 4.255 4.431 -0.176 19811 343 1 1 . 1 1 74 74 LYS CA C 74 56.000 56.000 55.775 0.225 19811 344 1 1 . 1 1 74 74 LYS CB C 74 33.223 33.223 33.955 -0.732 19811 345 1 1 . 1 1 74 74 LYS H H 74 8.266 8.266 8.389 -0.123 19811 346 1 1 . 1 1 75 75 LYS N N 75 124.450 124.450 121.287 3.163 19811 347 1 1 . 1 1 75 75 LYS HA H 75 4.245 4.245 4.515 -0.270 19811 348 1 1 . 1 1 75 75 LYS CA C 75 56.677 56.677 56.114 0.563 19811 349 1 1 . 1 1 75 75 LYS CB C 75 32.876 32.876 33.274 -0.398 19811 350 1 1 . 1 1 75 75 LYS H H 75 8.572 8.572 8.508 0.064 19811 351 1 1 . 1 1 76 76 GLY N N 76 110.666 110.666 109.397 1.269 19811 352 1 1 . 1 1 76 76 GLY CA C 76 45.330 45.330 45.178 0.152 19811 353 1 1 . 1 1 76 76 GLY H H 76 8.549 8.549 8.453 0.096 19811 354 1 1 . 1 1 77 77 GLY N N 77 108.740 108.740 108.685 0.055 19811 355 1 1 . 1 1 77 77 GLY CA C 77 45.300 45.300 44.787 0.513 19811 356 1 1 . 1 1 77 77 GLY H H 77 8.332 8.332 8.486 -0.154 19811 357 1 1 . 1 1 78 78 LEU N N 78 121.371 121.371 123.273 -1.902 19811 358 1 1 . 1 1 78 78 LEU HA H 78 4.263 4.263 4.440 -0.177 19811 359 1 1 . 1 1 78 78 LEU CA C 78 55.127 55.127 55.426 -0.299 19811 360 1 1 . 1 1 78 78 LEU CB C 78 42.290 42.290 42.694 -0.404 19811 361 1 1 . 1 1 78 78 LEU H H 78 8.165 8.165 8.597 -0.432 19811 362 1 2 . 1 1 2 2 ASP N N 2 121.707 121.707 119.068 2.639 19811 363 1 2 . 1 1 2 2 ASP HA H 2 4.798 4.798 4.825 -0.027 19811 364 1 2 . 1 1 2 2 ASP CA C 2 54.249 54.249 54.243 0.006 19811 365 1 2 . 1 1 2 2 ASP CB C 2 42.163 42.163 43.971 -1.808 19811 366 1 2 . 1 1 2 2 ASP H H 2 8.479 8.479 8.464 0.015 19811 367 1 2 . 1 1 3 3 THR N N 3 109.876 109.876 112.714 -2.838 19811 368 1 2 . 1 1 3 3 THR HA H 3 5.324 5.324 5.335 -0.011 19811 369 1 2 . 1 1 3 3 THR CA C 3 59.553 59.553 60.648 -1.095 19811 370 1 2 . 1 1 3 3 THR CB C 3 72.235 72.235 70.685 1.550 19811 371 1 2 . 1 1 3 3 THR H H 3 7.857 7.857 7.598 0.259 19811 372 1 2 . 1 1 4 4 ILE N N 4 115.792 115.792 116.398 -0.606 19811 373 1 2 . 1 1 4 4 ILE HA H 4 4.464 4.464 4.551 -0.087 19811 374 1 2 . 1 1 4 4 ILE CA C 4 59.314 59.314 59.484 -0.170 19811 375 1 2 . 1 1 4 4 ILE CB C 4 41.940 41.940 41.205 0.736 19811 376 1 2 . 1 1 4 4 ILE H H 4 8.665 8.665 8.793 -0.128 19811 377 1 2 . 1 1 5 5 ASN N N 5 119.913 119.913 119.117 0.796 19811 378 1 2 . 1 1 5 5 ASN HA H 5 5.438 5.438 5.856 -0.418 19811 379 1 2 . 1 1 5 5 ASN CA C 5 51.594 51.594 51.511 0.083 19811 380 1 2 . 1 1 5 5 ASN CB C 5 41.031 41.031 41.739 -0.708 19811 381 1 2 . 1 1 5 5 ASN H H 5 8.457 8.457 8.034 0.423 19811 382 1 2 . 1 1 6 6 ILE N N 6 122.674 122.674 122.080 0.594 19811 383 1 2 . 1 1 6 6 ILE HA H 6 5.035 5.035 4.310 0.725 19811 384 1 2 . 1 1 6 6 ILE CA C 6 57.857 57.857 60.985 -3.128 19811 385 1 2 . 1 1 6 6 ILE CB C 6 38.947 38.947 40.510 -1.563 19811 386 1 2 . 1 1 6 6 ILE H H 6 9.426 9.426 8.409 1.017 19811 387 1 2 . 1 1 7 7 THR N N 7 124.398 124.398 123.592 0.806 19811 388 1 2 . 1 1 7 7 THR HA H 7 4.512 4.512 4.626 -0.114 19811 389 1 2 . 1 1 7 7 THR CA C 7 62.639 62.639 61.944 0.695 19811 390 1 2 . 1 1 7 7 THR CB C 7 69.074 69.074 69.792 -0.718 19811 391 1 2 . 1 1 7 7 THR H H 7 9.152 9.152 8.540 0.612 19811 392 1 2 . 1 1 8 8 LEU N N 8 127.909 127.909 126.914 0.995 19811 393 1 2 . 1 1 8 8 LEU HA H 8 4.601 4.601 4.788 -0.187 19811 394 1 2 . 1 1 8 8 LEU CA C 8 53.537 53.537 51.773 1.764 19811 395 1 2 . 1 1 8 8 LEU CB C 8 39.928 39.928 44.067 -4.139 19811 396 1 2 . 1 1 8 8 LEU H H 8 8.992 8.992 7.921 1.071 19811 397 1 2 . 1 1 9 9 PRO HA H 9 4.419 4.419 4.383 0.036 19811 398 1 2 . 1 1 9 9 PRO CA C 9 65.184 65.184 65.078 0.106 19811 399 1 2 . 1 1 9 9 PRO CB C 9 31.999 31.999 31.606 0.393 19811 400 1 2 . 1 1 10 10 ASP N N 10 113.521 113.521 117.346 -3.825 19811 401 1 2 . 1 1 10 10 ASP HA H 10 4.490 4.490 4.638 -0.148 19811 402 1 2 . 1 1 10 10 ASP CA C 10 53.129 53.129 54.506 -1.377 19811 403 1 2 . 1 1 10 10 ASP CB C 10 39.986 39.986 41.010 -1.024 19811 404 1 2 . 1 1 10 10 ASP H H 10 7.678 7.678 8.155 -0.477 19811 405 1 2 . 1 1 11 11 GLY N N 11 108.658 108.658 106.894 1.764 19811 406 1 2 . 1 1 11 11 GLY CA C 11 45.218 45.218 44.927 0.291 19811 407 1 2 . 1 1 11 11 GLY H H 11 8.376 8.376 7.695 0.681 19811 408 1 2 . 1 1 12 12 LYS N N 12 121.449 121.449 119.475 1.974 19811 409 1 2 . 1 1 12 12 LYS HA H 12 4.331 4.331 4.675 -0.344 19811 410 1 2 . 1 1 12 12 LYS CA C 12 56.660 56.660 55.213 1.447 19811 411 1 2 . 1 1 12 12 LYS CB C 12 33.199 33.199 33.706 -0.507 19811 412 1 2 . 1 1 12 12 LYS H H 12 7.766 7.766 7.764 0.002 19811 413 1 2 . 1 1 13 13 THR N N 13 113.928 113.928 113.113 0.815 19811 414 1 2 . 1 1 13 13 THR HA H 13 5.193 5.193 5.488 -0.295 19811 415 1 2 . 1 1 13 13 THR CA C 13 61.734 61.734 60.331 1.403 19811 416 1 2 . 1 1 13 13 THR CB C 13 71.481 71.481 70.857 0.624 19811 417 1 2 . 1 1 13 13 THR H H 13 8.248 8.248 8.230 0.018 19811 418 1 2 . 1 1 14 14 LEU N N 14 128.446 128.446 122.190 6.256 19811 419 1 2 . 1 1 14 14 LEU HA H 14 4.739 4.739 4.730 0.009 19811 420 1 2 . 1 1 14 14 LEU CA C 14 53.403 53.403 54.058 -0.655 19811 421 1 2 . 1 1 14 14 LEU CB C 14 45.480 45.480 45.881 -0.401 19811 422 1 2 . 1 1 14 14 LEU H H 14 9.270 9.270 8.230 1.040 19811 423 1 2 . 1 1 15 15 THR N N 15 123.048 123.048 118.784 4.264 19811 424 1 2 . 1 1 15 15 THR HA H 15 5.191 5.191 5.260 -0.069 19811 425 1 2 . 1 1 15 15 THR CA C 15 61.986 61.986 61.406 0.580 19811 426 1 2 . 1 1 15 15 THR CB C 15 70.339 70.339 69.638 0.702 19811 427 1 2 . 1 1 15 15 THR H H 15 8.759 8.759 8.223 0.536 19811 428 1 2 . 1 1 16 16 LEU N N 16 125.874 125.874 127.121 -1.247 19811 429 1 2 . 1 1 16 16 LEU HA H 16 4.770 4.770 4.885 -0.115 19811 430 1 2 . 1 1 16 16 LEU CA C 16 53.222 53.222 53.277 -0.055 19811 431 1 2 . 1 1 16 16 LEU CB C 16 45.322 45.322 46.537 -1.215 19811 432 1 2 . 1 1 16 16 LEU H H 16 8.551 8.551 8.703 -0.152 19811 433 1 2 . 1 1 17 17 THR N N 17 117.080 117.080 117.253 -0.173 19811 434 1 2 . 1 1 17 17 THR HA H 17 4.629 4.629 5.015 -0.386 19811 435 1 2 . 1 1 17 17 THR CA C 17 61.950 61.950 61.236 0.714 19811 436 1 2 . 1 1 17 17 THR CB C 17 69.202 69.202 69.690 -0.488 19811 437 1 2 . 1 1 17 17 THR H H 17 8.342 8.342 8.040 0.302 19811 438 1 2 . 1 1 18 18 VAL N N 18 116.699 116.699 121.576 -4.877 19811 439 1 2 . 1 1 18 18 VAL HA H 18 3.910 3.910 4.395 -0.485 19811 440 1 2 . 1 1 18 18 VAL CA C 18 58.565 58.565 60.127 -1.562 19811 441 1 2 . 1 1 18 18 VAL CB C 18 35.910 35.910 33.904 2.006 19811 442 1 2 . 1 1 18 18 VAL H H 18 8.131 8.131 8.003 0.128 19811 443 1 2 . 1 1 19 19 THR N N 19 110.389 110.389 112.295 -1.906 19811 444 1 2 . 1 1 19 19 THR HA H 19 4.807 4.807 4.891 -0.084 19811 445 1 2 . 1 1 19 19 THR CA C 19 58.916 58.916 58.662 0.254 19811 446 1 2 . 1 1 19 19 THR CB C 19 68.674 68.674 70.046 -1.372 19811 447 1 2 . 1 1 19 19 THR H H 19 6.219 6.219 7.773 -1.554 19811 448 1 2 . 1 1 20 20 PRO HA H 20 4.382 4.382 4.487 -0.105 19811 449 1 2 . 1 1 20 20 PRO CA C 20 65.110 65.110 64.236 0.874 19811 450 1 2 . 1 1 20 20 PRO CB C 20 31.996 31.996 32.003 -0.007 19811 451 1 2 . 1 1 21 21 GLU N N 21 113.087 113.087 116.561 -3.474 19811 452 1 2 . 1 1 21 21 GLU HA H 21 4.350 4.350 4.386 -0.036 19811 453 1 2 . 1 1 21 21 GLU CA C 21 56.513 56.513 55.903 0.610 19811 454 1 2 . 1 1 21 21 GLU CB C 21 29.153 29.153 29.947 -0.794 19811 455 1 2 . 1 1 21 21 GLU H H 21 7.960 7.960 8.282 -0.322 19811 456 1 2 . 1 1 22 22 PHE N N 22 123.828 123.828 120.037 3.791 19811 457 1 2 . 1 1 22 22 PHE HA H 22 4.518 4.518 4.751 -0.233 19811 458 1 2 . 1 1 22 22 PHE CA C 22 58.778 58.778 58.363 0.415 19811 459 1 2 . 1 1 22 22 PHE CB C 22 40.224 40.224 40.423 -0.199 19811 460 1 2 . 1 1 22 22 PHE H H 22 7.724 7.724 7.561 0.163 19811 461 1 2 . 1 1 23 23 THR N N 23 114.031 114.031 113.288 0.743 19811 462 1 2 . 1 1 23 23 THR HA H 23 4.791 4.791 4.520 0.271 19811 463 1 2 . 1 1 23 23 THR CA C 23 60.340 60.340 60.361 -0.021 19811 464 1 2 . 1 1 23 23 THR CB C 23 71.791 71.791 71.339 0.452 19811 465 1 2 . 1 1 23 23 THR H H 23 8.504 8.504 7.927 0.577 19811 466 1 2 . 1 1 24 24 VAL N N 24 122.541 122.541 121.022 1.519 19811 467 1 2 . 1 1 24 24 VAL HA H 24 3.427 3.427 3.739 -0.312 19811 468 1 2 . 1 1 24 24 VAL CA C 24 66.745 66.745 66.879 -0.134 19811 469 1 2 . 1 1 24 24 VAL CB C 24 30.735 30.735 31.287 -0.552 19811 470 1 2 . 1 1 24 24 VAL H H 24 8.918 8.918 8.421 0.497 19811 471 1 2 . 1 1 25 25 LYS N N 25 121.079 121.079 119.251 1.828 19811 472 1 2 . 1 1 25 25 LYS HA H 25 3.912 3.912 4.015 -0.103 19811 473 1 2 . 1 1 25 25 LYS CA C 25 59.950 59.950 59.673 0.277 19811 474 1 2 . 1 1 25 25 LYS CB C 25 32.824 32.824 32.171 0.653 19811 475 1 2 . 1 1 25 25 LYS H H 25 8.622 8.622 8.306 0.316 19811 476 1 2 . 1 1 26 26 GLU N N 26 118.646 118.646 120.977 -2.331 19811 477 1 2 . 1 1 26 26 GLU HA H 26 3.859 3.859 4.349 -0.490 19811 478 1 2 . 1 1 26 26 GLU CA C 26 59.012 59.012 59.073 -0.061 19811 479 1 2 . 1 1 26 26 GLU CB C 26 29.344 29.344 29.499 -0.155 19811 480 1 2 . 1 1 26 26 GLU H H 26 7.734 7.734 7.487 0.247 19811 481 1 2 . 1 1 27 27 LEU N N 27 122.155 122.155 120.182 1.973 19811 482 1 2 . 1 1 27 27 LEU HA H 27 4.136 4.136 4.289 -0.153 19811 483 1 2 . 1 1 27 27 LEU CA C 27 58.226 58.226 58.165 0.061 19811 484 1 2 . 1 1 27 27 LEU CB C 27 41.986 41.986 42.198 -0.212 19811 485 1 2 . 1 1 27 27 LEU H H 27 8.000 8.000 8.473 -0.473 19811 486 1 2 . 1 1 28 28 ALA N N 28 121.362 121.362 120.305 1.057 19811 487 1 2 . 1 1 28 28 ALA HA H 28 3.837 3.837 4.073 -0.236 19811 488 1 2 . 1 1 28 28 ALA CA C 28 55.872 55.872 55.084 0.788 19811 489 1 2 . 1 1 28 28 ALA CB C 28 17.902 17.902 18.232 -0.330 19811 490 1 2 . 1 1 28 28 ALA H H 28 8.899 8.899 7.773 1.126 19811 491 1 2 . 1 1 29 29 GLU N N 29 116.582 116.582 117.851 -1.269 19811 492 1 2 . 1 1 29 29 GLU HA H 29 3.814 3.814 4.041 -0.227 19811 493 1 2 . 1 1 29 29 GLU CA C 29 59.849 59.849 58.807 1.042 19811 494 1 2 . 1 1 29 29 GLU CB C 29 29.185 29.185 29.182 0.003 19811 495 1 2 . 1 1 29 29 GLU H H 29 8.437 8.437 7.984 0.453 19811 496 1 2 . 1 1 30 30 GLU N N 30 121.430 121.430 120.273 1.157 19811 497 1 2 . 1 1 30 30 GLU HA H 30 4.293 4.293 4.209 0.084 19811 498 1 2 . 1 1 30 30 GLU CA C 30 58.829 58.829 59.062 -0.233 19811 499 1 2 . 1 1 30 30 GLU CB C 30 28.720 28.720 29.643 -0.923 19811 500 1 2 . 1 1 30 30 GLU H H 30 7.877 7.877 7.827 0.050 19811 501 1 2 . 1 1 31 31 ILE N N 31 119.644 119.644 120.392 -0.748 19811 502 1 2 . 1 1 31 31 ILE HA H 31 3.289 3.289 3.844 -0.555 19811 503 1 2 . 1 1 31 31 ILE CA C 31 65.937 65.937 63.312 2.625 19811 504 1 2 . 1 1 31 31 ILE CB C 31 38.338 38.338 38.160 0.178 19811 505 1 2 . 1 1 31 31 ILE H H 31 8.438 8.438 7.524 0.914 19811 506 1 2 . 1 1 32 32 ALA N N 32 120.190 120.190 121.386 -1.196 19811 507 1 2 . 1 1 32 32 ALA HA H 32 3.637 3.637 4.143 -0.506 19811 508 1 2 . 1 1 32 32 ALA CA C 32 56.071 56.071 54.584 1.487 19811 509 1 2 . 1 1 32 32 ALA CB C 32 17.287 17.287 18.266 -0.979 19811 510 1 2 . 1 1 32 32 ALA H H 32 8.609 8.609 7.938 0.671 19811 511 1 2 . 1 1 33 33 ARG N N 33 116.846 116.846 117.623 -0.777 19811 512 1 2 . 1 1 33 33 ARG HA H 33 4.085 4.085 4.047 0.038 19811 513 1 2 . 1 1 33 33 ARG CA C 33 59.367 59.367 59.034 0.333 19811 514 1 2 . 1 1 33 33 ARG CB C 33 30.575 30.575 30.416 0.159 19811 515 1 2 . 1 1 33 33 ARG H H 33 7.817 7.817 7.652 0.165 19811 516 1 2 . 1 1 34 34 ARG N N 34 118.212 118.212 117.369 0.843 19811 517 1 2 . 1 1 34 34 ARG HA H 34 4.078 4.078 4.244 -0.166 19811 518 1 2 . 1 1 34 34 ARG CA C 34 58.321 58.321 57.891 0.430 19811 519 1 2 . 1 1 34 34 ARG CB C 34 29.771 29.771 29.829 -0.058 19811 520 1 2 . 1 1 34 34 ARG H H 34 7.922 7.922 8.065 -0.143 19811 521 1 2 . 1 1 35 35 LEU N N 35 115.523 115.523 118.714 -3.191 19811 522 1 2 . 1 1 35 35 LEU HA H 35 4.426 4.426 4.547 -0.121 19811 523 1 2 . 1 1 35 35 LEU CA C 35 54.601 54.601 54.955 -0.354 19811 524 1 2 . 1 1 35 35 LEU CB C 35 42.895 42.895 42.374 0.521 19811 525 1 2 . 1 1 35 35 LEU H H 35 7.999 7.999 7.182 0.817 19811 526 1 2 . 1 1 36 36 GLY N N 36 110.277 110.277 108.033 2.244 19811 527 1 2 . 1 1 36 36 GLY CA C 36 46.906 46.906 45.494 1.412 19811 528 1 2 . 1 1 36 36 GLY H H 36 7.864 7.864 8.037 -0.173 19811 529 1 2 . 1 1 37 37 LEU N N 37 119.310 119.310 117.701 1.609 19811 530 1 2 . 1 1 37 37 LEU HA H 37 4.691 4.691 4.681 0.010 19811 531 1 2 . 1 1 37 37 LEU CA C 37 52.642 52.642 53.456 -0.814 19811 532 1 2 . 1 1 37 37 LEU CB C 37 45.355 45.355 44.873 0.482 19811 533 1 2 . 1 1 37 37 LEU H H 37 8.025 8.025 7.503 0.521 19811 534 1 2 . 1 1 38 38 SER N N 38 115.906 115.906 114.871 1.035 19811 535 1 2 . 1 1 38 38 SER HA H 38 4.955 4.955 4.907 0.048 19811 536 1 2 . 1 1 38 38 SER CA C 38 55.376 55.376 54.466 0.910 19811 537 1 2 . 1 1 38 38 SER CB C 38 63.732 63.732 64.653 -0.921 19811 538 1 2 . 1 1 38 38 SER H H 38 8.662 8.662 8.356 0.306 19811 539 1 2 . 1 1 39 39 PRO HA H 39 3.976 3.976 4.346 -0.370 19811 540 1 2 . 1 1 39 39 PRO CA C 39 65.434 65.434 64.170 1.264 19811 541 1 2 . 1 1 39 39 PRO CB C 39 31.527 31.527 31.819 -0.292 19811 542 1 2 . 1 1 40 40 GLU N N 40 115.609 115.609 114.960 0.649 19811 543 1 2 . 1 1 40 40 GLU HA H 40 4.115 4.115 4.238 -0.123 19811 544 1 2 . 1 1 40 40 GLU CA C 40 57.861 57.861 57.273 0.588 19811 545 1 2 . 1 1 40 40 GLU CB C 40 28.842 28.842 29.523 -0.681 19811 546 1 2 . 1 1 40 40 GLU H H 40 8.455 8.455 7.696 0.759 19811 547 1 2 . 1 1 41 41 ASP N N 41 118.239 118.239 117.023 1.216 19811 548 1 2 . 1 1 41 41 ASP HA H 41 4.711 4.711 4.856 -0.145 19811 549 1 2 . 1 1 41 41 ASP CA C 41 54.862 54.862 55.644 -0.782 19811 550 1 2 . 1 1 41 41 ASP CB C 41 41.920 41.920 43.466 -1.546 19811 551 1 2 . 1 1 41 41 ASP H H 41 7.814 7.814 7.946 -0.132 19811 552 1 2 . 1 1 42 42 ILE N N 42 116.579 116.579 120.281 -3.702 19811 553 1 2 . 1 1 42 42 ILE HA H 42 4.305 4.305 4.157 0.148 19811 554 1 2 . 1 1 42 42 ILE CA C 42 60.232 60.232 61.441 -1.208 19811 555 1 2 . 1 1 42 42 ILE CB C 42 39.070 39.070 38.388 0.682 19811 556 1 2 . 1 1 42 42 ILE H H 42 7.069 7.069 7.329 -0.260 19811 557 1 2 . 1 1 43 43 LYS N N 43 128.374 128.374 126.898 1.476 19811 558 1 2 . 1 1 43 43 LYS HA H 43 4.489 4.489 4.670 -0.181 19811 559 1 2 . 1 1 43 43 LYS CA C 43 54.924 54.924 54.988 -0.064 19811 560 1 2 . 1 1 43 43 LYS CB C 43 35.322 35.322 36.201 -0.879 19811 561 1 2 . 1 1 43 43 LYS H H 43 8.709 8.709 8.016 0.693 19811 562 1 2 . 1 1 44 44 LEU N N 44 126.700 126.700 124.840 1.860 19811 563 1 2 . 1 1 44 44 LEU HA H 44 5.368 5.368 4.667 0.701 19811 564 1 2 . 1 1 44 44 LEU CA C 44 52.839 52.839 54.278 -1.439 19811 565 1 2 . 1 1 44 44 LEU CB C 44 44.529 44.529 43.797 0.732 19811 566 1 2 . 1 1 44 44 LEU H H 44 8.929 8.929 8.920 0.009 19811 567 1 2 . 1 1 45 45 THR N N 45 112.945 112.945 114.135 -1.190 19811 568 1 2 . 1 1 45 45 THR HA H 45 5.282 5.282 5.443 -0.161 19811 569 1 2 . 1 1 45 45 THR CA C 45 59.240 59.240 60.219 -0.979 19811 570 1 2 . 1 1 45 45 THR CB C 45 72.146 72.146 71.311 0.835 19811 571 1 2 . 1 1 45 45 THR H H 45 8.846 8.846 8.442 0.404 19811 572 1 2 . 1 1 46 46 HIS N N 46 120.347 120.347 124.041 -3.694 19811 573 1 2 . 1 1 46 46 HIS HA H 46 4.956 4.956 4.867 0.089 19811 574 1 2 . 1 1 46 46 HIS CA C 46 55.757 55.757 56.011 -0.254 19811 575 1 2 . 1 1 46 46 HIS CB C 46 34.673 34.673 32.173 2.500 19811 576 1 2 . 1 1 46 46 HIS H H 46 8.620 8.620 9.078 -0.458 19811 577 1 2 . 1 1 47 47 ASN N N 47 128.187 128.187 125.759 2.428 19811 578 1 2 . 1 1 47 47 ASN HA H 47 4.178 4.178 4.375 -0.197 19811 579 1 2 . 1 1 47 47 ASN CA C 47 53.481 53.481 54.284 -0.803 19811 580 1 2 . 1 1 47 47 ASN CB C 47 36.888 36.888 37.328 -0.440 19811 581 1 2 . 1 1 47 47 ASN H H 47 9.136 9.136 9.499 -0.363 19811 582 1 2 . 1 1 48 48 GLY N N 48 103.028 103.028 103.590 -0.562 19811 583 1 2 . 1 1 48 48 GLY CA C 48 45.279 45.279 45.025 0.254 19811 584 1 2 . 1 1 48 48 GLY H H 48 8.633 8.633 8.675 -0.042 19811 585 1 2 . 1 1 49 49 LYS N N 49 121.730 121.730 122.313 -0.583 19811 586 1 2 . 1 1 49 49 LYS HA H 49 4.572 4.572 4.651 -0.079 19811 587 1 2 . 1 1 49 49 LYS CA C 49 54.677 54.677 55.370 -0.694 19811 588 1 2 . 1 1 49 49 LYS CB C 49 33.823 33.823 34.157 -0.334 19811 589 1 2 . 1 1 49 49 LYS H H 49 7.790 7.790 7.787 0.003 19811 590 1 2 . 1 1 50 50 THR N N 50 121.190 121.190 113.958 7.232 19811 591 1 2 . 1 1 50 50 THR HA H 50 4.254 4.254 5.264 -1.010 19811 592 1 2 . 1 1 50 50 THR CA C 50 63.304 63.304 60.632 2.672 19811 593 1 2 . 1 1 50 50 THR CB C 50 68.732 68.732 70.125 -1.393 19811 594 1 2 . 1 1 50 50 THR H H 50 8.735 8.735 8.351 0.384 19811 595 1 2 . 1 1 51 51 LEU N N 51 127.406 127.406 124.695 2.711 19811 596 1 2 . 1 1 51 51 LEU HA H 51 3.973 3.973 4.260 -0.287 19811 597 1 2 . 1 1 51 51 LEU CA C 51 54.125 54.125 54.186 -0.061 19811 598 1 2 . 1 1 51 51 LEU CB C 51 41.715 41.715 43.122 -1.407 19811 599 1 2 . 1 1 51 51 LEU H H 51 8.586 8.586 8.119 0.467 19811 600 1 2 . 1 1 52 52 ASP N N 52 126.711 126.711 125.027 1.684 19811 601 1 2 . 1 1 52 52 ASP HA H 52 4.840 4.840 4.958 -0.118 19811 602 1 2 . 1 1 52 52 ASP CA C 52 51.377 51.377 52.394 -1.017 19811 603 1 2 . 1 1 52 52 ASP CB C 52 43.019 43.019 42.539 0.480 19811 604 1 2 . 1 1 52 52 ASP H H 52 8.974 8.974 7.864 1.110 19811 605 1 2 . 1 1 53 53 PRO HA H 53 4.095 4.095 4.431 -0.336 19811 606 1 2 . 1 1 53 53 PRO CA C 53 64.240 64.240 64.292 -0.052 19811 607 1 2 . 1 1 53 53 PRO CB C 53 33.077 33.077 32.145 0.932 19811 608 1 2 . 1 1 54 54 SER N N 54 110.024 110.024 113.628 -3.604 19811 609 1 2 . 1 1 54 54 SER HA H 54 4.330 4.330 4.294 0.036 19811 610 1 2 . 1 1 54 54 SER CA C 54 59.971 59.971 59.956 0.014 19811 611 1 2 . 1 1 54 54 SER CB C 54 63.881 63.881 62.843 1.038 19811 612 1 2 . 1 1 54 54 SER H H 54 8.643 8.643 8.556 0.087 19811 613 1 2 . 1 1 55 55 LEU N N 55 123.514 123.514 122.674 0.840 19811 614 1 2 . 1 1 55 55 LEU HA H 55 4.645 4.645 4.672 -0.027 19811 615 1 2 . 1 1 55 55 LEU CA C 55 50.579 50.579 54.081 -3.502 19811 616 1 2 . 1 1 55 55 LEU CB C 55 43.928 43.928 43.084 0.844 19811 617 1 2 . 1 1 55 55 LEU H H 55 7.722 7.722 7.444 0.278 19811 618 1 2 . 1 1 56 56 THR N N 56 107.845 107.845 110.166 -2.321 19811 619 1 2 . 1 1 56 56 THR HA H 56 4.921 4.921 4.581 0.340 19811 620 1 2 . 1 1 56 56 THR CA C 56 60.266 60.266 60.947 -0.681 19811 621 1 2 . 1 1 56 56 THR CB C 56 71.553 71.553 70.874 0.679 19811 622 1 2 . 1 1 56 56 THR H H 56 8.335 8.335 7.992 0.343 19811 623 1 2 . 1 1 57 57 LEU N N 57 118.354 118.354 120.712 -2.358 19811 624 1 2 . 1 1 57 57 LEU HA H 57 3.992 3.992 4.589 -0.597 19811 625 1 2 . 1 1 57 57 LEU CA C 57 58.658 58.658 56.492 2.166 19811 626 1 2 . 1 1 57 57 LEU CB C 57 39.774 39.774 42.806 -3.033 19811 627 1 2 . 1 1 57 57 LEU H H 57 8.117 8.117 8.538 -0.421 19811 628 1 2 . 1 1 58 58 ALA N N 58 120.467 120.467 119.196 1.271 19811 629 1 2 . 1 1 58 58 ALA HA H 58 4.075 4.075 4.198 -0.123 19811 630 1 2 . 1 1 58 58 ALA CA C 58 55.047 55.047 53.826 1.221 19811 631 1 2 . 1 1 58 58 ALA CB C 58 18.267 18.267 18.626 -0.359 19811 632 1 2 . 1 1 58 58 ALA H H 58 8.730 8.730 8.393 0.337 19811 633 1 2 . 1 1 59 59 GLU N N 59 119.907 119.907 117.190 2.717 19811 634 1 2 . 1 1 59 59 GLU HA H 59 3.935 3.935 4.266 -0.331 19811 635 1 2 . 1 1 59 59 GLU CA C 59 58.914 58.914 57.120 1.794 19811 636 1 2 . 1 1 59 59 GLU CB C 59 29.623 29.623 29.609 0.014 19811 637 1 2 . 1 1 59 59 GLU H H 59 7.890 7.890 8.408 -0.518 19811 638 1 2 . 1 1 60 60 TYR N N 60 116.582 116.582 119.152 -2.570 19811 639 1 2 . 1 1 60 60 TYR HA H 60 4.554 4.554 4.466 0.088 19811 640 1 2 . 1 1 60 60 TYR CA C 60 59.463 59.463 58.629 0.834 19811 641 1 2 . 1 1 60 60 TYR CB C 60 40.288 40.288 39.341 0.947 19811 642 1 2 . 1 1 60 60 TYR H H 60 7.448 7.448 7.485 -0.037 19811 643 1 2 . 1 1 61 61 GLY N N 61 109.141 109.141 108.025 1.116 19811 644 1 2 . 1 1 61 61 GLY CA C 61 46.380 46.380 44.964 1.416 19811 645 1 2 . 1 1 61 61 GLY H H 61 8.067 8.067 7.897 0.170 19811 646 1 2 . 1 1 62 62 ILE N N 62 120.506 120.506 121.425 -0.919 19811 647 1 2 . 1 1 62 62 ILE HA H 62 3.614 3.614 4.407 -0.793 19811 648 1 2 . 1 1 62 62 ILE CA C 62 61.392 61.392 60.953 0.439 19811 649 1 2 . 1 1 62 62 ILE CB C 62 36.445 36.445 38.628 -2.183 19811 650 1 2 . 1 1 62 62 ILE H H 62 7.416 7.416 7.741 -0.325 19811 651 1 2 . 1 1 63 63 THR N N 63 117.984 117.984 119.383 -1.399 19811 652 1 2 . 1 1 63 63 THR HA H 63 4.528 4.528 4.877 -0.349 19811 653 1 2 . 1 1 63 63 THR CA C 63 58.942 58.942 58.777 0.165 19811 654 1 2 . 1 1 63 63 THR CB C 63 68.304 68.304 69.583 -1.279 19811 655 1 2 . 1 1 63 63 THR H H 63 7.408 7.408 8.263 -0.855 19811 656 1 2 . 1 1 64 64 PRO HA H 64 4.237 4.237 4.273 -0.036 19811 657 1 2 . 1 1 64 64 PRO CA C 64 64.568 64.568 62.923 1.645 19811 658 1 2 . 1 1 64 64 PRO CB C 64 31.861 31.861 31.890 -0.029 19811 659 1 2 . 1 1 65 65 GLY N N 65 112.539 112.539 109.864 2.675 19811 660 1 2 . 1 1 65 65 GLY CA C 65 44.719 44.719 45.029 -0.310 19811 661 1 2 . 1 1 65 65 GLY H H 65 9.286 9.286 8.476 0.810 19811 662 1 2 . 1 1 66 66 SER N N 66 116.523 116.523 116.124 0.399 19811 663 1 2 . 1 1 66 66 SER HA H 66 4.535 4.535 4.763 -0.228 19811 664 1 2 . 1 1 66 66 SER CA C 66 60.415 60.415 56.586 3.829 19811 665 1 2 . 1 1 66 66 SER CB C 66 64.604 64.604 64.819 -0.215 19811 666 1 2 . 1 1 66 66 SER H H 66 7.822 7.822 7.912 -0.090 19811 667 1 2 . 1 1 67 67 THR N N 67 118.238 118.238 117.286 0.952 19811 668 1 2 . 1 1 67 67 THR HA H 67 5.342 5.342 4.380 0.962 19811 669 1 2 . 1 1 67 67 THR CA C 67 62.059 62.059 61.875 0.184 19811 670 1 2 . 1 1 67 67 THR CB C 67 70.858 70.858 69.102 1.756 19811 671 1 2 . 1 1 67 67 THR H H 67 8.715 8.715 8.287 0.428 19811 672 1 2 . 1 1 68 68 ILE N N 68 126.891 126.891 127.190 -0.299 19811 673 1 2 . 1 1 68 68 ILE HA H 68 4.761 4.761 4.073 0.688 19811 674 1 2 . 1 1 68 68 ILE CA C 68 59.434 59.434 60.402 -0.968 19811 675 1 2 . 1 1 68 68 ILE CB C 68 40.783 40.783 39.760 1.023 19811 676 1 2 . 1 1 68 68 ILE H H 68 9.097 9.097 7.990 1.107 19811 677 1 2 . 1 1 69 69 THR N N 69 120.333 120.333 118.536 1.797 19811 678 1 2 . 1 1 69 69 THR HA H 69 4.566 4.566 4.582 -0.016 19811 679 1 2 . 1 1 69 69 THR CA C 69 63.014 63.014 61.058 1.956 19811 680 1 2 . 1 1 69 69 THR CB C 69 70.043 70.043 69.670 0.373 19811 681 1 2 . 1 1 69 69 THR H H 69 8.903 8.903 8.076 0.827 19811 682 1 2 . 1 1 70 70 LEU N N 70 126.490 126.490 126.607 -0.117 19811 683 1 2 . 1 1 70 70 LEU HA H 70 4.984 4.984 4.807 0.177 19811 684 1 2 . 1 1 70 70 LEU CA C 70 54.088 54.088 54.188 -0.100 19811 685 1 2 . 1 1 70 70 LEU CB C 70 44.772 44.772 45.502 -0.730 19811 686 1 2 . 1 1 70 70 LEU H H 70 8.191 8.191 7.952 0.238 19811 687 1 2 . 1 1 71 71 GLU N N 71 125.912 125.912 123.727 2.185 19811 688 1 2 . 1 1 71 71 GLU HA H 71 4.505 4.505 4.792 -0.287 19811 689 1 2 . 1 1 71 71 GLU CA C 71 54.828 54.828 55.008 -0.180 19811 690 1 2 . 1 1 71 71 GLU CB C 71 33.391 33.391 33.906 -0.515 19811 691 1 2 . 1 1 71 71 GLU H H 71 9.089 9.089 8.169 0.920 19811 692 1 2 . 1 1 72 72 ILE N N 72 123.229 123.229 121.606 1.623 19811 693 1 2 . 1 1 72 72 ILE HA H 72 4.570 4.570 4.318 0.252 19811 694 1 2 . 1 1 72 72 ILE CA C 72 59.629 59.629 60.467 -0.838 19811 695 1 2 . 1 1 72 72 ILE CB C 72 38.376 38.376 39.778 -1.402 19811 696 1 2 . 1 1 72 72 ILE H H 72 8.526 8.526 8.428 0.098 19811 697 1 2 . 1 1 73 73 LYS N N 73 129.392 129.392 127.588 1.804 19811 698 1 2 . 1 1 73 73 LYS HA H 73 4.178 4.178 4.618 -0.440 19811 699 1 2 . 1 1 73 73 LYS CA C 73 56.564 56.564 55.417 1.147 19811 700 1 2 . 1 1 73 73 LYS CB C 73 33.320 33.320 34.085 -0.765 19811 701 1 2 . 1 1 73 73 LYS H H 73 8.837 8.837 8.337 0.500 19811 702 1 2 . 1 1 74 74 LYS N N 74 123.476 123.476 122.054 1.422 19811 703 1 2 . 1 1 74 74 LYS HA H 74 4.255 4.255 4.491 -0.236 19811 704 1 2 . 1 1 74 74 LYS CA C 74 56.000 56.000 55.709 0.291 19811 705 1 2 . 1 1 74 74 LYS CB C 74 33.223 33.223 34.160 -0.937 19811 706 1 2 . 1 1 74 74 LYS H H 74 8.266 8.266 8.386 -0.120 19811 707 1 2 . 1 1 75 75 LYS N N 75 124.450 124.450 121.102 3.348 19811 708 1 2 . 1 1 75 75 LYS HA H 75 4.245 4.245 4.544 -0.299 19811 709 1 2 . 1 1 75 75 LYS CA C 75 56.677 56.677 56.263 0.414 19811 710 1 2 . 1 1 75 75 LYS CB C 75 32.876 32.876 33.324 -0.448 19811 711 1 2 . 1 1 75 75 LYS H H 75 8.572 8.572 8.689 -0.117 19811 712 1 2 . 1 1 76 76 GLY N N 76 110.666 110.666 109.913 0.753 19811 713 1 2 . 1 1 76 76 GLY CA C 76 45.330 45.330 44.499 0.831 19811 714 1 2 . 1 1 76 76 GLY H H 76 8.549 8.549 8.593 -0.044 19811 715 1 2 . 1 1 77 77 GLY N N 77 108.740 108.740 108.449 0.291 19811 716 1 2 . 1 1 77 77 GLY CA C 77 45.300 45.300 45.348 -0.048 19811 717 1 2 . 1 1 77 77 GLY H H 77 8.332 8.332 8.732 -0.400 19811 718 1 2 . 1 1 78 78 LEU N N 78 121.371 121.371 120.405 0.966 19811 719 1 2 . 1 1 78 78 LEU HA H 78 4.263 4.263 4.755 -0.492 19811 720 1 2 . 1 1 78 78 LEU CA C 78 55.127 55.127 55.607 -0.480 19811 721 1 2 . 1 1 78 78 LEU CB C 78 42.290 42.290 42.845 -0.555 19811 722 1 2 . 1 1 78 78 LEU H H 78 8.165 8.165 8.370 -0.205 19811 723 1 3 . 1 1 2 2 ASP N N 2 121.707 121.707 117.064 4.643 19811 724 1 3 . 1 1 2 2 ASP HA H 2 4.798 4.798 4.951 -0.153 19811 725 1 3 . 1 1 2 2 ASP CA C 2 54.249 54.249 54.321 -0.072 19811 726 1 3 . 1 1 2 2 ASP CB C 2 42.163 42.163 43.213 -1.050 19811 727 1 3 . 1 1 2 2 ASP H H 2 8.479 8.479 8.333 0.146 19811 728 1 3 . 1 1 3 3 THR N N 3 109.876 109.876 111.833 -1.957 19811 729 1 3 . 1 1 3 3 THR HA H 3 5.324 5.324 5.394 -0.070 19811 730 1 3 . 1 1 3 3 THR CA C 3 59.553 59.553 60.371 -0.818 19811 731 1 3 . 1 1 3 3 THR CB C 3 72.235 72.235 70.836 1.399 19811 732 1 3 . 1 1 3 3 THR H H 3 7.857 7.857 7.545 0.312 19811 733 1 3 . 1 1 4 4 ILE N N 4 115.792 115.792 116.335 -0.543 19811 734 1 3 . 1 1 4 4 ILE HA H 4 4.464 4.464 4.555 -0.091 19811 735 1 3 . 1 1 4 4 ILE CA C 4 59.314 59.314 59.393 -0.079 19811 736 1 3 . 1 1 4 4 ILE CB C 4 41.940 41.940 41.235 0.705 19811 737 1 3 . 1 1 4 4 ILE H H 4 8.665 8.665 8.707 -0.042 19811 738 1 3 . 1 1 5 5 ASN N N 5 119.913 119.913 119.447 0.466 19811 739 1 3 . 1 1 5 5 ASN HA H 5 5.438 5.438 5.806 -0.368 19811 740 1 3 . 1 1 5 5 ASN CA C 5 51.594 51.594 51.663 -0.069 19811 741 1 3 . 1 1 5 5 ASN CB C 5 41.031 41.031 41.401 -0.370 19811 742 1 3 . 1 1 5 5 ASN H H 5 8.457 8.457 8.085 0.372 19811 743 1 3 . 1 1 6 6 ILE N N 6 122.674 122.674 122.579 0.095 19811 744 1 3 . 1 1 6 6 ILE HA H 6 5.035 5.035 4.317 0.718 19811 745 1 3 . 1 1 6 6 ILE CA C 6 57.857 57.857 60.883 -3.026 19811 746 1 3 . 1 1 6 6 ILE CB C 6 38.947 38.947 40.468 -1.522 19811 747 1 3 . 1 1 6 6 ILE H H 6 9.426 9.426 8.576 0.850 19811 748 1 3 . 1 1 7 7 THR N N 7 124.398 124.398 123.846 0.552 19811 749 1 3 . 1 1 7 7 THR HA H 7 4.512 4.512 4.809 -0.297 19811 750 1 3 . 1 1 7 7 THR CA C 7 62.639 62.639 62.130 0.509 19811 751 1 3 . 1 1 7 7 THR CB C 7 69.074 69.074 69.499 -0.425 19811 752 1 3 . 1 1 7 7 THR H H 7 9.152 9.152 8.921 0.231 19811 753 1 3 . 1 1 8 8 LEU N N 8 127.909 127.909 127.673 0.236 19811 754 1 3 . 1 1 8 8 LEU HA H 8 4.601 4.601 4.795 -0.194 19811 755 1 3 . 1 1 8 8 LEU CA C 8 53.537 53.537 52.137 1.400 19811 756 1 3 . 1 1 8 8 LEU CB C 8 39.928 39.928 43.513 -3.585 19811 757 1 3 . 1 1 8 8 LEU H H 8 8.992 8.992 8.077 0.915 19811 758 1 3 . 1 1 9 9 PRO HA H 9 4.419 4.419 4.378 0.041 19811 759 1 3 . 1 1 9 9 PRO CA C 9 65.184 65.184 65.146 0.038 19811 760 1 3 . 1 1 9 9 PRO CB C 9 31.999 31.999 31.584 0.415 19811 761 1 3 . 1 1 10 10 ASP N N 10 113.521 113.521 117.259 -3.738 19811 762 1 3 . 1 1 10 10 ASP HA H 10 4.490 4.490 4.636 -0.146 19811 763 1 3 . 1 1 10 10 ASP CA C 10 53.129 53.129 54.503 -1.374 19811 764 1 3 . 1 1 10 10 ASP CB C 10 39.986 39.986 40.992 -1.006 19811 765 1 3 . 1 1 10 10 ASP H H 10 7.678 7.678 8.132 -0.454 19811 766 1 3 . 1 1 11 11 GLY N N 11 108.658 108.658 106.935 1.723 19811 767 1 3 . 1 1 11 11 GLY CA C 11 45.218 45.218 44.931 0.287 19811 768 1 3 . 1 1 11 11 GLY H H 11 8.376 8.376 7.706 0.670 19811 769 1 3 . 1 1 12 12 LYS N N 12 121.449 121.449 119.560 1.889 19811 770 1 3 . 1 1 12 12 LYS HA H 12 4.331 4.331 4.659 -0.328 19811 771 1 3 . 1 1 12 12 LYS CA C 12 56.660 56.660 55.266 1.394 19811 772 1 3 . 1 1 12 12 LYS CB C 12 33.199 33.199 33.603 -0.404 19811 773 1 3 . 1 1 12 12 LYS H H 12 7.766 7.766 7.757 0.009 19811 774 1 3 . 1 1 13 13 THR N N 13 113.928 113.928 113.705 0.223 19811 775 1 3 . 1 1 13 13 THR HA H 13 5.193 5.193 5.369 -0.176 19811 776 1 3 . 1 1 13 13 THR CA C 13 61.734 61.734 60.447 1.287 19811 777 1 3 . 1 1 13 13 THR CB C 13 71.481 71.481 70.494 0.987 19811 778 1 3 . 1 1 13 13 THR H H 13 8.248 8.248 8.311 -0.063 19811 779 1 3 . 1 1 14 14 LEU N N 14 128.446 128.446 123.206 5.240 19811 780 1 3 . 1 1 14 14 LEU HA H 14 4.739 4.739 4.759 -0.020 19811 781 1 3 . 1 1 14 14 LEU CA C 14 53.403 53.403 54.483 -1.080 19811 782 1 3 . 1 1 14 14 LEU CB C 14 45.480 45.480 46.086 -0.606 19811 783 1 3 . 1 1 14 14 LEU H H 14 9.270 9.270 8.284 0.986 19811 784 1 3 . 1 1 15 15 THR N N 15 123.048 123.048 118.579 4.469 19811 785 1 3 . 1 1 15 15 THR HA H 15 5.191 5.191 5.302 -0.111 19811 786 1 3 . 1 1 15 15 THR CA C 15 61.986 61.986 61.620 0.366 19811 787 1 3 . 1 1 15 15 THR CB C 15 70.339 70.339 69.866 0.473 19811 788 1 3 . 1 1 15 15 THR H H 15 8.759 8.759 8.227 0.532 19811 789 1 3 . 1 1 16 16 LEU N N 16 125.874 125.874 127.914 -2.040 19811 790 1 3 . 1 1 16 16 LEU HA H 16 4.770 4.770 4.741 0.029 19811 791 1 3 . 1 1 16 16 LEU CA C 16 53.222 53.222 53.666 -0.444 19811 792 1 3 . 1 1 16 16 LEU CB C 16 45.322 45.322 46.858 -1.536 19811 793 1 3 . 1 1 16 16 LEU H H 16 8.551 8.551 8.885 -0.334 19811 794 1 3 . 1 1 17 17 THR N N 17 117.080 117.080 120.178 -3.098 19811 795 1 3 . 1 1 17 17 THR HA H 17 4.629 4.629 5.194 -0.565 19811 796 1 3 . 1 1 17 17 THR CA C 17 61.950 61.950 61.315 0.635 19811 797 1 3 . 1 1 17 17 THR CB C 17 69.202 69.202 69.431 -0.229 19811 798 1 3 . 1 1 17 17 THR H H 17 8.342 8.342 8.401 -0.059 19811 799 1 3 . 1 1 18 18 VAL N N 18 116.699 116.699 121.938 -5.239 19811 800 1 3 . 1 1 18 18 VAL HA H 18 3.910 3.910 3.995 -0.085 19811 801 1 3 . 1 1 18 18 VAL CA C 18 58.565 58.565 58.515 0.050 19811 802 1 3 . 1 1 18 18 VAL CB C 18 35.910 35.910 33.882 2.028 19811 803 1 3 . 1 1 18 18 VAL H H 18 8.131 8.131 8.009 0.122 19811 804 1 3 . 1 1 19 19 THR N N 19 110.389 110.389 107.915 2.474 19811 805 1 3 . 1 1 19 19 THR HA H 19 4.807 4.807 4.885 -0.078 19811 806 1 3 . 1 1 19 19 THR CA C 19 58.916 58.916 58.878 0.038 19811 807 1 3 . 1 1 19 19 THR CB C 19 68.674 68.674 69.984 -1.310 19811 808 1 3 . 1 1 19 19 THR H H 19 6.219 6.219 7.694 -1.475 19811 809 1 3 . 1 1 20 20 PRO HA H 20 4.382 4.382 4.399 -0.017 19811 810 1 3 . 1 1 20 20 PRO CA C 20 65.110 65.110 64.817 0.293 19811 811 1 3 . 1 1 20 20 PRO CB C 20 31.996 31.996 32.078 -0.082 19811 812 1 3 . 1 1 21 21 GLU N N 21 113.087 113.087 115.208 -2.121 19811 813 1 3 . 1 1 21 21 GLU HA H 21 4.350 4.350 4.314 0.036 19811 814 1 3 . 1 1 21 21 GLU CA C 21 56.513 56.513 55.872 0.641 19811 815 1 3 . 1 1 21 21 GLU CB C 21 29.153 29.153 29.734 -0.581 19811 816 1 3 . 1 1 21 21 GLU H H 21 7.960 7.960 8.277 -0.317 19811 817 1 3 . 1 1 22 22 PHE N N 22 123.828 123.828 119.566 4.262 19811 818 1 3 . 1 1 22 22 PHE HA H 22 4.518 4.518 4.569 -0.051 19811 819 1 3 . 1 1 22 22 PHE CA C 22 58.778 58.778 58.264 0.514 19811 820 1 3 . 1 1 22 22 PHE CB C 22 40.224 40.224 40.317 -0.093 19811 821 1 3 . 1 1 22 22 PHE H H 22 7.724 7.724 7.728 -0.004 19811 822 1 3 . 1 1 23 23 THR N N 23 114.031 114.031 113.530 0.501 19811 823 1 3 . 1 1 23 23 THR HA H 23 4.791 4.791 4.401 0.390 19811 824 1 3 . 1 1 23 23 THR CA C 23 60.340 60.340 60.752 -0.412 19811 825 1 3 . 1 1 23 23 THR CB C 23 71.791 71.791 70.567 1.224 19811 826 1 3 . 1 1 23 23 THR H H 23 8.504 8.504 7.855 0.649 19811 827 1 3 . 1 1 24 24 VAL N N 24 122.541 122.541 120.456 2.085 19811 828 1 3 . 1 1 24 24 VAL HA H 24 3.427 3.427 3.726 -0.299 19811 829 1 3 . 1 1 24 24 VAL CA C 24 66.745 66.745 66.970 -0.225 19811 830 1 3 . 1 1 24 24 VAL CB C 24 30.735 30.735 31.364 -0.629 19811 831 1 3 . 1 1 24 24 VAL H H 24 8.918 8.918 8.279 0.639 19811 832 1 3 . 1 1 25 25 LYS N N 25 121.079 121.079 119.334 1.745 19811 833 1 3 . 1 1 25 25 LYS HA H 25 3.912 3.912 4.008 -0.096 19811 834 1 3 . 1 1 25 25 LYS CA C 25 59.950 59.950 59.677 0.273 19811 835 1 3 . 1 1 25 25 LYS CB C 25 32.824 32.824 32.137 0.687 19811 836 1 3 . 1 1 25 25 LYS H H 25 8.622 8.622 8.270 0.352 19811 837 1 3 . 1 1 26 26 GLU N N 26 118.646 118.646 120.457 -1.811 19811 838 1 3 . 1 1 26 26 GLU HA H 26 3.859 3.859 4.082 -0.223 19811 839 1 3 . 1 1 26 26 GLU CA C 26 59.012 59.012 59.111 -0.099 19811 840 1 3 . 1 1 26 26 GLU CB C 26 29.344 29.344 29.623 -0.279 19811 841 1 3 . 1 1 26 26 GLU H H 26 7.734 7.734 7.510 0.224 19811 842 1 3 . 1 1 27 27 LEU N N 27 122.155 122.155 120.711 1.444 19811 843 1 3 . 1 1 27 27 LEU HA H 27 4.136 4.136 4.289 -0.153 19811 844 1 3 . 1 1 27 27 LEU CA C 27 58.226 58.226 57.799 0.427 19811 845 1 3 . 1 1 27 27 LEU CB C 27 41.986 41.986 42.239 -0.253 19811 846 1 3 . 1 1 27 27 LEU H H 27 8.000 8.000 8.381 -0.381 19811 847 1 3 . 1 1 28 28 ALA N N 28 121.362 121.362 120.202 1.160 19811 848 1 3 . 1 1 28 28 ALA HA H 28 3.837 3.837 4.086 -0.249 19811 849 1 3 . 1 1 28 28 ALA CA C 28 55.872 55.872 55.132 0.740 19811 850 1 3 . 1 1 28 28 ALA CB C 28 17.902 17.902 18.270 -0.368 19811 851 1 3 . 1 1 28 28 ALA H H 28 8.899 8.899 7.859 1.040 19811 852 1 3 . 1 1 29 29 GLU N N 29 116.582 116.582 118.402 -1.820 19811 853 1 3 . 1 1 29 29 GLU HA H 29 3.814 3.814 4.045 -0.231 19811 854 1 3 . 1 1 29 29 GLU CA C 29 59.849 59.849 59.047 0.802 19811 855 1 3 . 1 1 29 29 GLU CB C 29 29.185 29.185 28.891 0.294 19811 856 1 3 . 1 1 29 29 GLU H H 29 8.437 8.437 7.947 0.490 19811 857 1 3 . 1 1 30 30 GLU N N 30 121.430 121.430 120.122 1.308 19811 858 1 3 . 1 1 30 30 GLU HA H 30 4.293 4.293 4.153 0.140 19811 859 1 3 . 1 1 30 30 GLU CA C 30 58.829 58.829 59.038 -0.208 19811 860 1 3 . 1 1 30 30 GLU CB C 30 28.720 28.720 29.948 -1.228 19811 861 1 3 . 1 1 30 30 GLU H H 30 7.877 7.877 7.708 0.169 19811 862 1 3 . 1 1 31 31 ILE N N 31 119.644 119.644 120.154 -0.510 19811 863 1 3 . 1 1 31 31 ILE HA H 31 3.289 3.289 3.852 -0.563 19811 864 1 3 . 1 1 31 31 ILE CA C 31 65.937 65.937 63.369 2.568 19811 865 1 3 . 1 1 31 31 ILE CB C 31 38.338 38.338 38.118 0.220 19811 866 1 3 . 1 1 31 31 ILE H H 31 8.438 8.438 7.496 0.942 19811 867 1 3 . 1 1 32 32 ALA N N 32 120.190 120.190 121.604 -1.414 19811 868 1 3 . 1 1 32 32 ALA HA H 32 3.637 3.637 4.134 -0.497 19811 869 1 3 . 1 1 32 32 ALA CA C 32 56.071 56.071 54.739 1.332 19811 870 1 3 . 1 1 32 32 ALA CB C 32 17.287 17.287 18.171 -0.884 19811 871 1 3 . 1 1 32 32 ALA H H 32 8.609 8.609 7.867 0.742 19811 872 1 3 . 1 1 33 33 ARG N N 33 116.846 116.846 117.803 -0.957 19811 873 1 3 . 1 1 33 33 ARG HA H 33 4.085 4.085 4.069 0.016 19811 874 1 3 . 1 1 33 33 ARG CA C 33 59.367 59.367 58.974 0.393 19811 875 1 3 . 1 1 33 33 ARG CB C 33 30.575 30.575 30.411 0.164 19811 876 1 3 . 1 1 33 33 ARG H H 33 7.817 7.817 7.649 0.168 19811 877 1 3 . 1 1 34 34 ARG N N 34 118.212 118.212 117.602 0.610 19811 878 1 3 . 1 1 34 34 ARG HA H 34 4.078 4.078 4.198 -0.120 19811 879 1 3 . 1 1 34 34 ARG CA C 34 58.321 58.321 58.197 0.124 19811 880 1 3 . 1 1 34 34 ARG CB C 34 29.771 29.771 29.968 -0.197 19811 881 1 3 . 1 1 34 34 ARG H H 34 7.922 7.922 7.896 0.026 19811 882 1 3 . 1 1 35 35 LEU N N 35 115.523 115.523 118.313 -2.790 19811 883 1 3 . 1 1 35 35 LEU HA H 35 4.426 4.426 4.466 -0.040 19811 884 1 3 . 1 1 35 35 LEU CA C 35 54.601 54.601 55.299 -0.698 19811 885 1 3 . 1 1 35 35 LEU CB C 35 42.895 42.895 42.812 0.083 19811 886 1 3 . 1 1 35 35 LEU H H 35 7.999 7.999 7.563 0.436 19811 887 1 3 . 1 1 36 36 GLY N N 36 110.277 110.277 107.444 2.833 19811 888 1 3 . 1 1 36 36 GLY CA C 36 46.906 46.906 45.328 1.578 19811 889 1 3 . 1 1 36 36 GLY H H 36 7.864 7.864 7.963 -0.099 19811 890 1 3 . 1 1 37 37 LEU N N 37 119.310 119.310 117.951 1.359 19811 891 1 3 . 1 1 37 37 LEU HA H 37 4.691 4.691 4.732 -0.041 19811 892 1 3 . 1 1 37 37 LEU CA C 37 52.642 52.642 53.208 -0.566 19811 893 1 3 . 1 1 37 37 LEU CB C 37 45.355 45.355 45.586 -0.231 19811 894 1 3 . 1 1 37 37 LEU H H 37 8.025 8.025 7.845 0.180 19811 895 1 3 . 1 1 38 38 SER N N 38 115.906 115.906 113.206 2.700 19811 896 1 3 . 1 1 38 38 SER HA H 38 4.955 4.955 4.959 -0.004 19811 897 1 3 . 1 1 38 38 SER CA C 38 55.376 55.376 55.173 0.203 19811 898 1 3 . 1 1 38 38 SER CB C 38 63.732 63.732 64.039 -0.307 19811 899 1 3 . 1 1 38 38 SER H H 38 8.662 8.662 8.273 0.389 19811 900 1 3 . 1 1 39 39 PRO HA H 39 3.976 3.976 4.258 -0.282 19811 901 1 3 . 1 1 39 39 PRO CA C 39 65.434 65.434 64.475 0.959 19811 902 1 3 . 1 1 39 39 PRO CB C 39 31.527 31.527 31.913 -0.386 19811 903 1 3 . 1 1 40 40 GLU N N 40 115.609 115.609 115.349 0.260 19811 904 1 3 . 1 1 40 40 GLU HA H 40 4.115 4.115 4.224 -0.109 19811 905 1 3 . 1 1 40 40 GLU CA C 40 57.861 57.861 57.287 0.574 19811 906 1 3 . 1 1 40 40 GLU CB C 40 28.842 28.842 29.384 -0.542 19811 907 1 3 . 1 1 40 40 GLU H H 40 8.455 8.455 8.511 -0.056 19811 908 1 3 . 1 1 41 41 ASP N N 41 118.239 118.239 118.598 -0.359 19811 909 1 3 . 1 1 41 41 ASP HA H 41 4.711 4.711 4.739 -0.028 19811 910 1 3 . 1 1 41 41 ASP CA C 41 54.862 54.862 55.437 -0.575 19811 911 1 3 . 1 1 41 41 ASP CB C 41 41.920 41.920 42.686 -0.766 19811 912 1 3 . 1 1 41 41 ASP H H 41 7.814 7.814 7.903 -0.089 19811 913 1 3 . 1 1 42 42 ILE N N 42 116.579 116.579 119.566 -2.987 19811 914 1 3 . 1 1 42 42 ILE HA H 42 4.305 4.305 4.146 0.159 19811 915 1 3 . 1 1 42 42 ILE CA C 42 60.232 60.232 61.297 -1.065 19811 916 1 3 . 1 1 42 42 ILE CB C 42 39.070 39.070 38.664 0.406 19811 917 1 3 . 1 1 42 42 ILE H H 42 7.069 7.069 7.317 -0.248 19811 918 1 3 . 1 1 43 43 LYS N N 43 128.374 128.374 126.183 2.191 19811 919 1 3 . 1 1 43 43 LYS HA H 43 4.489 4.489 4.665 -0.176 19811 920 1 3 . 1 1 43 43 LYS CA C 43 54.924 54.924 54.887 0.037 19811 921 1 3 . 1 1 43 43 LYS CB C 43 35.322 35.322 36.399 -1.077 19811 922 1 3 . 1 1 43 43 LYS H H 43 8.709 8.709 8.242 0.467 19811 923 1 3 . 1 1 44 44 LEU N N 44 126.700 126.700 126.026 0.674 19811 924 1 3 . 1 1 44 44 LEU HA H 44 5.368 5.368 4.619 0.749 19811 925 1 3 . 1 1 44 44 LEU CA C 44 52.839 52.839 54.570 -1.731 19811 926 1 3 . 1 1 44 44 LEU CB C 44 44.529 44.529 43.089 1.440 19811 927 1 3 . 1 1 44 44 LEU H H 44 8.929 8.929 8.955 -0.026 19811 928 1 3 . 1 1 45 45 THR N N 45 112.945 112.945 120.165 -7.220 19811 929 1 3 . 1 1 45 45 THR HA H 45 5.282 5.282 5.020 0.262 19811 930 1 3 . 1 1 45 45 THR CA C 45 59.240 59.240 61.595 -2.355 19811 931 1 3 . 1 1 45 45 THR CB C 45 72.146 72.146 70.232 1.914 19811 932 1 3 . 1 1 45 45 THR H H 45 8.846 8.846 8.404 0.442 19811 933 1 3 . 1 1 46 46 HIS N N 46 120.347 120.347 125.090 -4.743 19811 934 1 3 . 1 1 46 46 HIS HA H 46 4.956 4.956 4.958 -0.002 19811 935 1 3 . 1 1 46 46 HIS CA C 46 55.757 55.757 55.264 0.492 19811 936 1 3 . 1 1 46 46 HIS CB C 46 34.673 34.673 32.404 2.269 19811 937 1 3 . 1 1 46 46 HIS H H 46 8.620 8.620 9.042 -0.422 19811 938 1 3 . 1 1 47 47 ASN N N 47 128.187 128.187 126.160 2.027 19811 939 1 3 . 1 1 47 47 ASN HA H 47 4.178 4.178 4.274 -0.096 19811 940 1 3 . 1 1 47 47 ASN CA C 47 53.481 53.481 53.808 -0.327 19811 941 1 3 . 1 1 47 47 ASN CB C 47 36.888 36.888 37.505 -0.617 19811 942 1 3 . 1 1 47 47 ASN H H 47 9.136 9.136 9.213 -0.077 19811 943 1 3 . 1 1 48 48 GLY N N 48 103.028 103.028 103.689 -0.661 19811 944 1 3 . 1 1 48 48 GLY CA C 48 45.279 45.279 45.145 0.134 19811 945 1 3 . 1 1 48 48 GLY H H 48 8.633 8.633 8.583 0.050 19811 946 1 3 . 1 1 49 49 LYS N N 49 121.730 121.730 122.358 -0.628 19811 947 1 3 . 1 1 49 49 LYS HA H 49 4.572 4.572 4.650 -0.078 19811 948 1 3 . 1 1 49 49 LYS CA C 49 54.677 54.677 55.231 -0.554 19811 949 1 3 . 1 1 49 49 LYS CB C 49 33.823 33.823 34.093 -0.270 19811 950 1 3 . 1 1 49 49 LYS H H 49 7.790 7.790 7.654 0.136 19811 951 1 3 . 1 1 50 50 THR N N 50 121.190 121.190 113.857 7.333 19811 952 1 3 . 1 1 50 50 THR HA H 50 4.254 4.254 5.146 -0.892 19811 953 1 3 . 1 1 50 50 THR CA C 50 63.304 63.304 60.652 2.652 19811 954 1 3 . 1 1 50 50 THR CB C 50 68.732 68.732 70.306 -1.574 19811 955 1 3 . 1 1 50 50 THR H H 50 8.735 8.735 8.339 0.396 19811 956 1 3 . 1 1 51 51 LEU N N 51 127.406 127.406 123.005 4.401 19811 957 1 3 . 1 1 51 51 LEU HA H 51 3.973 3.973 4.188 -0.215 19811 958 1 3 . 1 1 51 51 LEU CA C 51 54.125 54.125 54.183 -0.058 19811 959 1 3 . 1 1 51 51 LEU CB C 51 41.715 41.715 43.564 -1.849 19811 960 1 3 . 1 1 51 51 LEU H H 51 8.586 8.586 8.232 0.354 19811 961 1 3 . 1 1 52 52 ASP N N 52 126.711 126.711 124.416 2.295 19811 962 1 3 . 1 1 52 52 ASP HA H 52 4.840 4.840 4.899 -0.059 19811 963 1 3 . 1 1 52 52 ASP CA C 52 51.377 51.377 51.455 -0.078 19811 964 1 3 . 1 1 52 52 ASP CB C 52 43.019 43.019 43.065 -0.046 19811 965 1 3 . 1 1 52 52 ASP H H 52 8.974 8.974 8.147 0.827 19811 966 1 3 . 1 1 53 53 PRO HA H 53 4.095 4.095 4.314 -0.219 19811 967 1 3 . 1 1 53 53 PRO CA C 53 64.240 64.240 64.539 -0.299 19811 968 1 3 . 1 1 53 53 PRO CB C 53 33.077 33.077 32.226 0.851 19811 969 1 3 . 1 1 54 54 SER N N 54 110.024 110.024 112.550 -2.526 19811 970 1 3 . 1 1 54 54 SER HA H 54 4.330 4.330 4.324 0.006 19811 971 1 3 . 1 1 54 54 SER CA C 54 59.971 59.971 59.324 0.647 19811 972 1 3 . 1 1 54 54 SER CB C 54 63.881 63.881 63.491 0.390 19811 973 1 3 . 1 1 54 54 SER H H 54 8.643 8.643 7.846 0.797 19811 974 1 3 . 1 1 55 55 LEU N N 55 123.514 123.514 120.560 2.954 19811 975 1 3 . 1 1 55 55 LEU HA H 55 4.645 4.645 4.491 0.154 19811 976 1 3 . 1 1 55 55 LEU CA C 55 50.579 50.579 54.119 -3.540 19811 977 1 3 . 1 1 55 55 LEU CB C 55 43.928 43.928 43.523 0.405 19811 978 1 3 . 1 1 55 55 LEU H H 55 7.722 7.722 7.428 0.294 19811 979 1 3 . 1 1 56 56 THR N N 56 107.845 107.845 109.431 -1.586 19811 980 1 3 . 1 1 56 56 THR HA H 56 4.921 4.921 4.562 0.359 19811 981 1 3 . 1 1 56 56 THR CA C 56 60.266 60.266 61.078 -0.812 19811 982 1 3 . 1 1 56 56 THR CB C 56 71.553 71.553 71.273 0.280 19811 983 1 3 . 1 1 56 56 THR H H 56 8.335 8.335 8.184 0.151 19811 984 1 3 . 1 1 57 57 LEU N N 57 118.354 118.354 120.557 -2.203 19811 985 1 3 . 1 1 57 57 LEU HA H 57 3.992 3.992 4.584 -0.592 19811 986 1 3 . 1 1 57 57 LEU CA C 57 58.658 58.658 57.034 1.624 19811 987 1 3 . 1 1 57 57 LEU CB C 57 39.774 39.774 42.298 -2.524 19811 988 1 3 . 1 1 57 57 LEU H H 57 8.117 8.117 8.821 -0.704 19811 989 1 3 . 1 1 58 58 ALA N N 58 120.467 120.467 119.303 1.164 19811 990 1 3 . 1 1 58 58 ALA HA H 58 4.075 4.075 4.237 -0.162 19811 991 1 3 . 1 1 58 58 ALA CA C 58 55.047 55.047 53.895 1.152 19811 992 1 3 . 1 1 58 58 ALA CB C 58 18.267 18.267 18.401 -0.133 19811 993 1 3 . 1 1 58 58 ALA H H 58 8.730 8.730 8.355 0.375 19811 994 1 3 . 1 1 59 59 GLU N N 59 119.907 119.907 118.098 1.809 19811 995 1 3 . 1 1 59 59 GLU HA H 59 3.935 3.935 4.182 -0.247 19811 996 1 3 . 1 1 59 59 GLU CA C 59 58.914 58.914 57.938 0.976 19811 997 1 3 . 1 1 59 59 GLU CB C 59 29.623 29.623 29.757 -0.134 19811 998 1 3 . 1 1 59 59 GLU H H 59 7.890 7.890 8.379 -0.489 19811 999 1 3 . 1 1 60 60 TYR N N 60 116.582 116.582 118.619 -2.037 19811 1000 1 3 . 1 1 60 60 TYR HA H 60 4.554 4.554 4.431 0.123 19811 1001 1 3 . 1 1 60 60 TYR CA C 60 59.463 59.463 58.765 0.698 19811 1002 1 3 . 1 1 60 60 TYR CB C 60 40.288 40.288 39.265 1.023 19811 1003 1 3 . 1 1 60 60 TYR H H 60 7.448 7.448 7.585 -0.137 19811 1004 1 3 . 1 1 61 61 GLY N N 61 109.141 109.141 107.843 1.298 19811 1005 1 3 . 1 1 61 61 GLY CA C 61 46.380 46.380 44.979 1.401 19811 1006 1 3 . 1 1 61 61 GLY H H 61 8.067 8.067 7.791 0.276 19811 1007 1 3 . 1 1 62 62 ILE N N 62 120.506 120.506 121.684 -1.178 19811 1008 1 3 . 1 1 62 62 ILE HA H 62 3.614 3.614 4.526 -0.912 19811 1009 1 3 . 1 1 62 62 ILE CA C 62 61.392 61.392 60.647 0.745 19811 1010 1 3 . 1 1 62 62 ILE CB C 62 36.445 36.445 39.003 -2.558 19811 1011 1 3 . 1 1 62 62 ILE H H 62 7.416 7.416 7.584 -0.168 19811 1012 1 3 . 1 1 63 63 THR N N 63 117.984 117.984 117.939 0.045 19811 1013 1 3 . 1 1 63 63 THR HA H 63 4.528 4.528 4.875 -0.347 19811 1014 1 3 . 1 1 63 63 THR CA C 63 58.942 58.942 59.286 -0.344 19811 1015 1 3 . 1 1 63 63 THR CB C 63 68.304 68.304 69.169 -0.865 19811 1016 1 3 . 1 1 63 63 THR H H 63 7.408 7.408 8.298 -0.890 19811 1017 1 3 . 1 1 64 64 PRO HA H 64 4.237 4.237 4.327 -0.090 19811 1018 1 3 . 1 1 64 64 PRO CA C 64 64.568 64.568 63.086 1.482 19811 1019 1 3 . 1 1 64 64 PRO CB C 64 31.861 31.861 31.769 0.092 19811 1020 1 3 . 1 1 65 65 GLY N N 65 112.539 112.539 111.487 1.052 19811 1021 1 3 . 1 1 65 65 GLY CA C 65 44.719 44.719 44.855 -0.136 19811 1022 1 3 . 1 1 65 65 GLY H H 65 9.286 9.286 8.323 0.963 19811 1023 1 3 . 1 1 66 66 SER N N 66 116.523 116.523 117.076 -0.553 19811 1024 1 3 . 1 1 66 66 SER HA H 66 4.535 4.535 4.816 -0.281 19811 1025 1 3 . 1 1 66 66 SER CA C 66 60.415 60.415 57.263 3.152 19811 1026 1 3 . 1 1 66 66 SER CB C 66 64.604 64.604 65.170 -0.566 19811 1027 1 3 . 1 1 66 66 SER H H 66 7.822 7.822 7.863 -0.041 19811 1028 1 3 . 1 1 67 67 THR N N 67 118.238 118.238 114.572 3.666 19811 1029 1 3 . 1 1 67 67 THR HA H 67 5.342 5.342 4.425 0.917 19811 1030 1 3 . 1 1 67 67 THR CA C 67 62.059 62.059 61.874 0.185 19811 1031 1 3 . 1 1 67 67 THR CB C 67 70.858 70.858 69.159 1.699 19811 1032 1 3 . 1 1 67 67 THR H H 67 8.715 8.715 8.278 0.437 19811 1033 1 3 . 1 1 68 68 ILE N N 68 126.891 126.891 127.186 -0.295 19811 1034 1 3 . 1 1 68 68 ILE HA H 68 4.761 4.761 4.523 0.238 19811 1035 1 3 . 1 1 68 68 ILE CA C 68 59.434 59.434 60.493 -1.059 19811 1036 1 3 . 1 1 68 68 ILE CB C 68 40.783 40.783 40.128 0.655 19811 1037 1 3 . 1 1 68 68 ILE H H 68 9.097 9.097 8.095 1.002 19811 1038 1 3 . 1 1 69 69 THR N N 69 120.333 120.333 117.787 2.546 19811 1039 1 3 . 1 1 69 69 THR HA H 69 4.566 4.566 4.947 -0.381 19811 1040 1 3 . 1 1 69 69 THR CA C 69 63.014 63.014 61.090 1.924 19811 1041 1 3 . 1 1 69 69 THR CB C 69 70.043 70.043 69.955 0.088 19811 1042 1 3 . 1 1 69 69 THR H H 69 8.903 8.903 8.450 0.453 19811 1043 1 3 . 1 1 70 70 LEU N N 70 126.490 126.490 126.543 -0.053 19811 1044 1 3 . 1 1 70 70 LEU HA H 70 4.984 4.984 4.685 0.299 19811 1045 1 3 . 1 1 70 70 LEU CA C 70 54.088 54.088 54.204 -0.116 19811 1046 1 3 . 1 1 70 70 LEU CB C 70 44.772 44.772 45.069 -0.297 19811 1047 1 3 . 1 1 70 70 LEU H H 70 8.191 8.191 8.760 -0.569 19811 1048 1 3 . 1 1 71 71 GLU N N 71 125.912 125.912 125.372 0.540 19811 1049 1 3 . 1 1 71 71 GLU HA H 71 4.505 4.505 4.715 -0.210 19811 1050 1 3 . 1 1 71 71 GLU CA C 71 54.828 54.828 55.084 -0.256 19811 1051 1 3 . 1 1 71 71 GLU CB C 71 33.391 33.391 33.184 0.207 19811 1052 1 3 . 1 1 71 71 GLU H H 71 9.089 9.089 8.293 0.796 19811 1053 1 3 . 1 1 72 72 ILE N N 72 123.229 123.229 124.637 -1.408 19811 1054 1 3 . 1 1 72 72 ILE HA H 72 4.570 4.570 4.315 0.255 19811 1055 1 3 . 1 1 72 72 ILE CA C 72 59.629 59.629 60.242 -0.613 19811 1056 1 3 . 1 1 72 72 ILE CB C 72 38.376 38.376 39.682 -1.306 19811 1057 1 3 . 1 1 72 72 ILE H H 72 8.526 8.526 8.462 0.064 19811 1058 1 3 . 1 1 73 73 LYS N N 73 129.392 129.392 126.548 2.844 19811 1059 1 3 . 1 1 73 73 LYS HA H 73 4.178 4.178 4.582 -0.404 19811 1060 1 3 . 1 1 73 73 LYS CA C 73 56.564 56.564 55.636 0.928 19811 1061 1 3 . 1 1 73 73 LYS CB C 73 33.320 33.320 33.698 -0.378 19811 1062 1 3 . 1 1 73 73 LYS H H 73 8.837 8.837 8.539 0.298 19811 1063 1 3 . 1 1 74 74 LYS N N 74 123.476 123.476 122.634 0.842 19811 1064 1 3 . 1 1 74 74 LYS HA H 74 4.255 4.255 4.516 -0.261 19811 1065 1 3 . 1 1 74 74 LYS CA C 74 56.000 56.000 55.702 0.298 19811 1066 1 3 . 1 1 74 74 LYS CB C 74 33.223 33.223 34.181 -0.958 19811 1067 1 3 . 1 1 74 74 LYS H H 74 8.266 8.266 8.463 -0.197 19811 1068 1 3 . 1 1 75 75 LYS N N 75 124.450 124.450 121.225 3.225 19811 1069 1 3 . 1 1 75 75 LYS HA H 75 4.245 4.245 4.533 -0.288 19811 1070 1 3 . 1 1 75 75 LYS CA C 75 56.677 56.677 56.349 0.328 19811 1071 1 3 . 1 1 75 75 LYS CB C 75 32.876 32.876 33.538 -0.662 19811 1072 1 3 . 1 1 75 75 LYS H H 75 8.572 8.572 8.637 -0.065 19811 1073 1 3 . 1 1 76 76 GLY N N 76 110.666 110.666 110.502 0.164 19811 1074 1 3 . 1 1 76 76 GLY CA C 76 45.330 45.330 45.033 0.297 19811 1075 1 3 . 1 1 76 76 GLY H H 76 8.549 8.549 8.540 0.009 19811 1076 1 3 . 1 1 77 77 GLY N N 77 108.740 108.740 108.163 0.577 19811 1077 1 3 . 1 1 77 77 GLY CA C 77 45.300 45.300 45.249 0.051 19811 1078 1 3 . 1 1 77 77 GLY H H 77 8.332 8.332 8.352 -0.020 19811 1079 1 3 . 1 1 78 78 LEU N N 78 121.371 121.371 121.072 0.299 19811 1080 1 3 . 1 1 78 78 LEU HA H 78 4.263 4.263 4.777 -0.514 19811 1081 1 3 . 1 1 78 78 LEU CA C 78 55.127 55.127 55.589 -0.462 19811 1082 1 3 . 1 1 78 78 LEU CB C 78 42.290 42.290 43.258 -0.968 19811 1083 1 3 . 1 1 78 78 LEU H H 78 8.165 8.165 8.348 -0.183 19811 1084 1 4 . 1 1 2 2 ASP N N 2 121.707 121.707 116.854 4.853 19811 1085 1 4 . 1 1 2 2 ASP HA H 2 4.798 4.798 4.862 -0.064 19811 1086 1 4 . 1 1 2 2 ASP CA C 2 54.249 54.249 54.392 -0.143 19811 1087 1 4 . 1 1 2 2 ASP CB C 2 42.163 42.163 43.509 -1.346 19811 1088 1 4 . 1 1 2 2 ASP H H 2 8.479 8.479 8.283 0.196 19811 1089 1 4 . 1 1 3 3 THR N N 3 109.876 109.876 111.955 -2.079 19811 1090 1 4 . 1 1 3 3 THR HA H 3 5.324 5.324 5.177 0.147 19811 1091 1 4 . 1 1 3 3 THR CA C 3 59.553 59.553 60.479 -0.926 19811 1092 1 4 . 1 1 3 3 THR CB C 3 72.235 72.235 70.959 1.276 19811 1093 1 4 . 1 1 3 3 THR H H 3 7.857 7.857 7.557 0.300 19811 1094 1 4 . 1 1 4 4 ILE N N 4 115.792 115.792 115.899 -0.107 19811 1095 1 4 . 1 1 4 4 ILE HA H 4 4.464 4.464 4.578 -0.114 19811 1096 1 4 . 1 1 4 4 ILE CA C 4 59.314 59.314 59.117 0.197 19811 1097 1 4 . 1 1 4 4 ILE CB C 4 41.940 41.940 41.120 0.820 19811 1098 1 4 . 1 1 4 4 ILE H H 4 8.665 8.665 8.992 -0.327 19811 1099 1 4 . 1 1 5 5 ASN N N 5 119.913 119.913 119.644 0.269 19811 1100 1 4 . 1 1 5 5 ASN HA H 5 5.438 5.438 5.689 -0.251 19811 1101 1 4 . 1 1 5 5 ASN CA C 5 51.594 51.594 51.632 -0.038 19811 1102 1 4 . 1 1 5 5 ASN CB C 5 41.031 41.031 40.926 0.104 19811 1103 1 4 . 1 1 5 5 ASN H H 5 8.457 8.457 8.048 0.409 19811 1104 1 4 . 1 1 6 6 ILE N N 6 122.674 122.674 122.216 0.458 19811 1105 1 4 . 1 1 6 6 ILE HA H 6 5.035 5.035 4.426 0.609 19811 1106 1 4 . 1 1 6 6 ILE CA C 6 57.857 57.857 59.166 -1.309 19811 1107 1 4 . 1 1 6 6 ILE CB C 6 38.947 38.947 38.446 0.501 19811 1108 1 4 . 1 1 6 6 ILE H H 6 9.426 9.426 8.824 0.602 19811 1109 1 4 . 1 1 7 7 THR N N 7 124.398 124.398 123.388 1.010 19811 1110 1 4 . 1 1 7 7 THR HA H 7 4.512 4.512 4.696 -0.184 19811 1111 1 4 . 1 1 7 7 THR CA C 7 62.639 62.639 61.448 1.191 19811 1112 1 4 . 1 1 7 7 THR CB C 7 69.074 69.074 69.009 0.065 19811 1113 1 4 . 1 1 7 7 THR H H 7 9.152 9.152 8.419 0.733 19811 1114 1 4 . 1 1 8 8 LEU N N 8 127.909 127.909 127.100 0.809 19811 1115 1 4 . 1 1 8 8 LEU HA H 8 4.601 4.601 4.707 -0.106 19811 1116 1 4 . 1 1 8 8 LEU CA C 8 53.537 53.537 52.240 1.297 19811 1117 1 4 . 1 1 8 8 LEU CB C 8 39.928 39.928 43.132 -3.204 19811 1118 1 4 . 1 1 8 8 LEU H H 8 8.992 8.992 7.867 1.125 19811 1119 1 4 . 1 1 9 9 PRO HA H 9 4.419 4.419 4.419 0.000 19811 1120 1 4 . 1 1 9 9 PRO CA C 9 65.184 65.184 64.628 0.556 19811 1121 1 4 . 1 1 9 9 PRO CB C 9 31.999 31.999 31.751 0.248 19811 1122 1 4 . 1 1 10 10 ASP N N 10 113.521 113.521 117.306 -3.785 19811 1123 1 4 . 1 1 10 10 ASP HA H 10 4.490 4.490 4.651 -0.161 19811 1124 1 4 . 1 1 10 10 ASP CA C 10 53.129 53.129 54.500 -1.371 19811 1125 1 4 . 1 1 10 10 ASP CB C 10 39.986 39.986 41.073 -1.087 19811 1126 1 4 . 1 1 10 10 ASP H H 10 7.678 7.678 8.169 -0.491 19811 1127 1 4 . 1 1 11 11 GLY N N 11 108.658 108.658 106.982 1.676 19811 1128 1 4 . 1 1 11 11 GLY CA C 11 45.218 45.218 44.943 0.275 19811 1129 1 4 . 1 1 11 11 GLY H H 11 8.376 8.376 7.785 0.591 19811 1130 1 4 . 1 1 12 12 LYS N N 12 121.449 121.449 119.665 1.784 19811 1131 1 4 . 1 1 12 12 LYS HA H 12 4.331 4.331 4.616 -0.285 19811 1132 1 4 . 1 1 12 12 LYS CA C 12 56.660 56.660 55.465 1.195 19811 1133 1 4 . 1 1 12 12 LYS CB C 12 33.199 33.199 33.430 -0.231 19811 1134 1 4 . 1 1 12 12 LYS H H 12 7.766 7.766 7.764 0.002 19811 1135 1 4 . 1 1 13 13 THR N N 13 113.928 113.928 112.478 1.450 19811 1136 1 4 . 1 1 13 13 THR HA H 13 5.193 5.193 5.632 -0.439 19811 1137 1 4 . 1 1 13 13 THR CA C 13 61.734 61.734 60.389 1.345 19811 1138 1 4 . 1 1 13 13 THR CB C 13 71.481 71.481 71.195 0.286 19811 1139 1 4 . 1 1 13 13 THR H H 13 8.248 8.248 8.196 0.052 19811 1140 1 4 . 1 1 14 14 LEU N N 14 128.446 128.446 122.347 6.099 19811 1141 1 4 . 1 1 14 14 LEU HA H 14 4.739 4.739 4.834 -0.095 19811 1142 1 4 . 1 1 14 14 LEU CA C 14 53.403 53.403 54.088 -0.685 19811 1143 1 4 . 1 1 14 14 LEU CB C 14 45.480 45.480 46.552 -1.072 19811 1144 1 4 . 1 1 14 14 LEU H H 14 9.270 9.270 8.289 0.981 19811 1145 1 4 . 1 1 15 15 THR N N 15 123.048 123.048 117.610 5.438 19811 1146 1 4 . 1 1 15 15 THR HA H 15 5.191 5.191 5.394 -0.203 19811 1147 1 4 . 1 1 15 15 THR CA C 15 61.986 61.986 61.044 0.942 19811 1148 1 4 . 1 1 15 15 THR CB C 15 70.339 70.339 69.578 0.761 19811 1149 1 4 . 1 1 15 15 THR H H 15 8.759 8.759 8.248 0.511 19811 1150 1 4 . 1 1 16 16 LEU N N 16 125.874 125.874 127.539 -1.665 19811 1151 1 4 . 1 1 16 16 LEU HA H 16 4.770 4.770 4.891 -0.121 19811 1152 1 4 . 1 1 16 16 LEU CA C 16 53.222 53.222 53.262 -0.040 19811 1153 1 4 . 1 1 16 16 LEU CB C 16 45.322 45.322 46.213 -0.891 19811 1154 1 4 . 1 1 16 16 LEU H H 16 8.551 8.551 8.700 -0.149 19811 1155 1 4 . 1 1 17 17 THR N N 17 117.080 117.080 117.944 -0.864 19811 1156 1 4 . 1 1 17 17 THR HA H 17 4.629 4.629 4.595 0.034 19811 1157 1 4 . 1 1 17 17 THR CA C 17 61.950 61.950 61.455 0.495 19811 1158 1 4 . 1 1 17 17 THR CB C 17 69.202 69.202 69.506 -0.304 19811 1159 1 4 . 1 1 17 17 THR H H 17 8.342 8.342 8.048 0.294 19811 1160 1 4 . 1 1 18 18 VAL N N 18 116.699 116.699 123.373 -6.674 19811 1161 1 4 . 1 1 18 18 VAL HA H 18 3.910 3.910 4.412 -0.502 19811 1162 1 4 . 1 1 18 18 VAL CA C 18 58.565 58.565 59.759 -1.194 19811 1163 1 4 . 1 1 18 18 VAL CB C 18 35.910 35.910 33.611 2.299 19811 1164 1 4 . 1 1 18 18 VAL H H 18 8.131 8.131 8.093 0.038 19811 1165 1 4 . 1 1 19 19 THR N N 19 110.389 110.389 112.344 -1.955 19811 1166 1 4 . 1 1 19 19 THR HA H 19 4.807 4.807 4.779 0.028 19811 1167 1 4 . 1 1 19 19 THR CA C 19 58.916 58.916 58.975 -0.059 19811 1168 1 4 . 1 1 19 19 THR CB C 19 68.674 68.674 69.827 -1.153 19811 1169 1 4 . 1 1 19 19 THR H H 19 6.219 6.219 7.723 -1.504 19811 1170 1 4 . 1 1 20 20 PRO HA H 20 4.382 4.382 4.473 -0.091 19811 1171 1 4 . 1 1 20 20 PRO CA C 20 65.110 65.110 64.116 0.994 19811 1172 1 4 . 1 1 20 20 PRO CB C 20 31.996 31.996 32.202 -0.206 19811 1173 1 4 . 1 1 21 21 GLU N N 21 113.087 113.087 115.905 -2.818 19811 1174 1 4 . 1 1 21 21 GLU HA H 21 4.350 4.350 4.362 -0.012 19811 1175 1 4 . 1 1 21 21 GLU CA C 21 56.513 56.513 55.878 0.635 19811 1176 1 4 . 1 1 21 21 GLU CB C 21 29.153 29.153 29.975 -0.822 19811 1177 1 4 . 1 1 21 21 GLU H H 21 7.960 7.960 8.328 -0.368 19811 1178 1 4 . 1 1 22 22 PHE N N 22 123.828 123.828 120.040 3.788 19811 1179 1 4 . 1 1 22 22 PHE HA H 22 4.518 4.518 4.618 -0.100 19811 1180 1 4 . 1 1 22 22 PHE CA C 22 58.778 58.778 58.392 0.386 19811 1181 1 4 . 1 1 22 22 PHE CB C 22 40.224 40.224 40.488 -0.264 19811 1182 1 4 . 1 1 22 22 PHE H H 22 7.724 7.724 7.533 0.191 19811 1183 1 4 . 1 1 23 23 THR N N 23 114.031 114.031 113.919 0.112 19811 1184 1 4 . 1 1 23 23 THR HA H 23 4.791 4.791 4.457 0.334 19811 1185 1 4 . 1 1 23 23 THR CA C 23 60.340 60.340 60.630 -0.290 19811 1186 1 4 . 1 1 23 23 THR CB C 23 71.791 71.791 70.475 1.316 19811 1187 1 4 . 1 1 23 23 THR H H 23 8.504 8.504 7.983 0.521 19811 1188 1 4 . 1 1 24 24 VAL N N 24 122.541 122.541 120.291 2.250 19811 1189 1 4 . 1 1 24 24 VAL HA H 24 3.427 3.427 3.771 -0.344 19811 1190 1 4 . 1 1 24 24 VAL CA C 24 66.745 66.745 66.760 -0.014 19811 1191 1 4 . 1 1 24 24 VAL CB C 24 30.735 30.735 31.340 -0.605 19811 1192 1 4 . 1 1 24 24 VAL H H 24 8.918 8.918 8.237 0.681 19811 1193 1 4 . 1 1 25 25 LYS N N 25 121.079 121.079 119.611 1.468 19811 1194 1 4 . 1 1 25 25 LYS HA H 25 3.912 3.912 4.030 -0.118 19811 1195 1 4 . 1 1 25 25 LYS CA C 25 59.950 59.950 59.705 0.245 19811 1196 1 4 . 1 1 25 25 LYS CB C 25 32.824 32.824 32.179 0.645 19811 1197 1 4 . 1 1 25 25 LYS H H 25 8.622 8.622 8.125 0.497 19811 1198 1 4 . 1 1 26 26 GLU N N 26 118.646 118.646 120.666 -2.020 19811 1199 1 4 . 1 1 26 26 GLU HA H 26 3.859 3.859 4.359 -0.500 19811 1200 1 4 . 1 1 26 26 GLU CA C 26 59.012 59.012 59.090 -0.078 19811 1201 1 4 . 1 1 26 26 GLU CB C 26 29.344 29.344 29.534 -0.190 19811 1202 1 4 . 1 1 26 26 GLU H H 26 7.734 7.734 7.545 0.189 19811 1203 1 4 . 1 1 27 27 LEU N N 27 122.155 122.155 120.302 1.853 19811 1204 1 4 . 1 1 27 27 LEU HA H 27 4.136 4.136 4.239 -0.103 19811 1205 1 4 . 1 1 27 27 LEU CA C 27 58.226 58.226 58.202 0.024 19811 1206 1 4 . 1 1 27 27 LEU CB C 27 41.986 41.986 42.113 -0.127 19811 1207 1 4 . 1 1 27 27 LEU H H 27 8.000 8.000 8.410 -0.410 19811 1208 1 4 . 1 1 28 28 ALA N N 28 121.362 121.362 120.287 1.075 19811 1209 1 4 . 1 1 28 28 ALA HA H 28 3.837 3.837 4.093 -0.256 19811 1210 1 4 . 1 1 28 28 ALA CA C 28 55.872 55.872 55.071 0.801 19811 1211 1 4 . 1 1 28 28 ALA CB C 28 17.902 17.902 18.298 -0.396 19811 1212 1 4 . 1 1 28 28 ALA H H 28 8.899 8.899 7.753 1.146 19811 1213 1 4 . 1 1 29 29 GLU N N 29 116.582 116.582 117.897 -1.315 19811 1214 1 4 . 1 1 29 29 GLU HA H 29 3.814 3.814 4.035 -0.221 19811 1215 1 4 . 1 1 29 29 GLU CA C 29 59.849 59.849 58.780 1.069 19811 1216 1 4 . 1 1 29 29 GLU CB C 29 29.185 29.185 29.178 0.007 19811 1217 1 4 . 1 1 29 29 GLU H H 29 8.437 8.437 8.012 0.425 19811 1218 1 4 . 1 1 30 30 GLU N N 30 121.430 121.430 120.422 1.008 19811 1219 1 4 . 1 1 30 30 GLU HA H 30 4.293 4.293 4.181 0.112 19811 1220 1 4 . 1 1 30 30 GLU CA C 30 58.829 58.829 59.086 -0.257 19811 1221 1 4 . 1 1 30 30 GLU CB C 30 28.720 28.720 29.558 -0.838 19811 1222 1 4 . 1 1 30 30 GLU H H 30 7.877 7.877 7.783 0.094 19811 1223 1 4 . 1 1 31 31 ILE N N 31 119.644 119.644 120.210 -0.566 19811 1224 1 4 . 1 1 31 31 ILE HA H 31 3.289 3.289 3.828 -0.539 19811 1225 1 4 . 1 1 31 31 ILE CA C 31 65.937 65.937 63.407 2.530 19811 1226 1 4 . 1 1 31 31 ILE CB C 31 38.338 38.338 38.062 0.276 19811 1227 1 4 . 1 1 31 31 ILE H H 31 8.438 8.438 7.418 1.020 19811 1228 1 4 . 1 1 32 32 ALA N N 32 120.190 120.190 121.279 -1.089 19811 1229 1 4 . 1 1 32 32 ALA HA H 32 3.637 3.637 4.132 -0.495 19811 1230 1 4 . 1 1 32 32 ALA CA C 32 56.071 56.071 54.668 1.403 19811 1231 1 4 . 1 1 32 32 ALA CB C 32 17.287 17.287 18.187 -0.900 19811 1232 1 4 . 1 1 32 32 ALA H H 32 8.609 8.609 7.830 0.779 19811 1233 1 4 . 1 1 33 33 ARG N N 33 116.846 116.846 117.784 -0.938 19811 1234 1 4 . 1 1 33 33 ARG HA H 33 4.085 4.085 4.063 0.022 19811 1235 1 4 . 1 1 33 33 ARG CA C 33 59.367 59.367 59.041 0.326 19811 1236 1 4 . 1 1 33 33 ARG CB C 33 30.575 30.575 30.448 0.127 19811 1237 1 4 . 1 1 33 33 ARG H H 33 7.817 7.817 7.566 0.251 19811 1238 1 4 . 1 1 34 34 ARG N N 34 118.212 118.212 117.168 1.044 19811 1239 1 4 . 1 1 34 34 ARG HA H 34 4.078 4.078 4.233 -0.155 19811 1240 1 4 . 1 1 34 34 ARG CA C 34 58.321 58.321 57.820 0.501 19811 1241 1 4 . 1 1 34 34 ARG CB C 34 29.771 29.771 30.091 -0.320 19811 1242 1 4 . 1 1 34 34 ARG H H 34 7.922 7.922 7.928 -0.006 19811 1243 1 4 . 1 1 35 35 LEU N N 35 115.523 115.523 118.647 -3.124 19811 1244 1 4 . 1 1 35 35 LEU HA H 35 4.426 4.426 4.532 -0.106 19811 1245 1 4 . 1 1 35 35 LEU CA C 35 54.601 54.601 55.098 -0.497 19811 1246 1 4 . 1 1 35 35 LEU CB C 35 42.895 42.895 42.856 0.039 19811 1247 1 4 . 1 1 35 35 LEU H H 35 7.999 7.999 7.464 0.535 19811 1248 1 4 . 1 1 36 36 GLY N N 36 110.277 110.277 107.665 2.612 19811 1249 1 4 . 1 1 36 36 GLY CA C 36 46.906 46.906 45.453 1.454 19811 1250 1 4 . 1 1 36 36 GLY H H 36 7.864 7.864 7.952 -0.088 19811 1251 1 4 . 1 1 37 37 LEU N N 37 119.310 119.310 118.677 0.633 19811 1252 1 4 . 1 1 37 37 LEU HA H 37 4.691 4.691 4.767 -0.076 19811 1253 1 4 . 1 1 37 37 LEU CA C 37 52.642 52.642 53.043 -0.401 19811 1254 1 4 . 1 1 37 37 LEU CB C 37 45.355 45.355 45.035 0.320 19811 1255 1 4 . 1 1 37 37 LEU H H 37 8.025 8.025 7.791 0.234 19811 1256 1 4 . 1 1 38 38 SER N N 38 115.906 115.906 116.073 -0.167 19811 1257 1 4 . 1 1 38 38 SER HA H 38 4.955 4.955 4.874 0.081 19811 1258 1 4 . 1 1 38 38 SER CA C 38 55.376 55.376 55.809 -0.433 19811 1259 1 4 . 1 1 38 38 SER CB C 38 63.732 63.732 63.585 0.147 19811 1260 1 4 . 1 1 38 38 SER H H 38 8.662 8.662 8.334 0.328 19811 1261 1 4 . 1 1 39 39 PRO HA H 39 3.976 3.976 4.284 -0.308 19811 1262 1 4 . 1 1 39 39 PRO CA C 39 65.434 65.434 64.435 0.999 19811 1263 1 4 . 1 1 39 39 PRO CB C 39 31.527 31.527 32.044 -0.517 19811 1264 1 4 . 1 1 40 40 GLU N N 40 115.609 115.609 114.858 0.751 19811 1265 1 4 . 1 1 40 40 GLU HA H 40 4.115 4.115 4.189 -0.074 19811 1266 1 4 . 1 1 40 40 GLU CA C 40 57.861 57.861 57.535 0.326 19811 1267 1 4 . 1 1 40 40 GLU CB C 40 28.842 28.842 29.388 -0.546 19811 1268 1 4 . 1 1 40 40 GLU H H 40 8.455 8.455 8.278 0.177 19811 1269 1 4 . 1 1 41 41 ASP N N 41 118.239 118.239 117.345 0.894 19811 1270 1 4 . 1 1 41 41 ASP HA H 41 4.711 4.711 4.719 -0.008 19811 1271 1 4 . 1 1 41 41 ASP CA C 41 54.862 54.862 55.715 -0.853 19811 1272 1 4 . 1 1 41 41 ASP CB C 41 41.920 41.920 42.885 -0.965 19811 1273 1 4 . 1 1 41 41 ASP H H 41 7.814 7.814 7.701 0.113 19811 1274 1 4 . 1 1 42 42 ILE N N 42 116.579 116.579 120.192 -3.613 19811 1275 1 4 . 1 1 42 42 ILE HA H 42 4.305 4.305 4.765 -0.460 19811 1276 1 4 . 1 1 42 42 ILE CA C 42 60.232 60.232 61.033 -0.801 19811 1277 1 4 . 1 1 42 42 ILE CB C 42 39.070 39.070 38.145 0.925 19811 1278 1 4 . 1 1 42 42 ILE H H 42 7.069 7.069 7.302 -0.233 19811 1279 1 4 . 1 1 43 43 LYS N N 43 128.374 128.374 127.741 0.633 19811 1280 1 4 . 1 1 43 43 LYS HA H 43 4.489 4.489 4.622 -0.133 19811 1281 1 4 . 1 1 43 43 LYS CA C 43 54.924 54.924 54.800 0.124 19811 1282 1 4 . 1 1 43 43 LYS CB C 43 35.322 35.322 36.049 -0.727 19811 1283 1 4 . 1 1 43 43 LYS H H 43 8.709 8.709 8.023 0.686 19811 1284 1 4 . 1 1 44 44 LEU N N 44 126.700 126.700 126.336 0.364 19811 1285 1 4 . 1 1 44 44 LEU HA H 44 5.368 5.368 4.618 0.750 19811 1286 1 4 . 1 1 44 44 LEU CA C 44 52.839 52.839 54.707 -1.868 19811 1287 1 4 . 1 1 44 44 LEU CB C 44 44.529 44.529 42.648 1.881 19811 1288 1 4 . 1 1 44 44 LEU H H 44 8.929 8.929 8.955 -0.026 19811 1289 1 4 . 1 1 45 45 THR N N 45 112.945 112.945 121.107 -8.162 19811 1290 1 4 . 1 1 45 45 THR HA H 45 5.282 5.282 4.996 0.286 19811 1291 1 4 . 1 1 45 45 THR CA C 45 59.240 59.240 61.477 -2.237 19811 1292 1 4 . 1 1 45 45 THR CB C 45 72.146 72.146 70.093 2.053 19811 1293 1 4 . 1 1 45 45 THR H H 45 8.846 8.846 8.413 0.433 19811 1294 1 4 . 1 1 46 46 HIS N N 46 120.347 120.347 125.532 -5.185 19811 1295 1 4 . 1 1 46 46 HIS HA H 46 4.956 4.956 4.853 0.103 19811 1296 1 4 . 1 1 46 46 HIS CA C 46 55.757 55.757 55.233 0.523 19811 1297 1 4 . 1 1 46 46 HIS CB C 46 34.673 34.673 32.218 2.455 19811 1298 1 4 . 1 1 46 46 HIS H H 46 8.620 8.620 9.011 -0.391 19811 1299 1 4 . 1 1 47 47 ASN N N 47 128.187 128.187 126.292 1.895 19811 1300 1 4 . 1 1 47 47 ASN HA H 47 4.178 4.178 4.268 -0.090 19811 1301 1 4 . 1 1 47 47 ASN CA C 47 53.481 53.481 53.836 -0.355 19811 1302 1 4 . 1 1 47 47 ASN CB C 47 36.888 36.888 37.504 -0.616 19811 1303 1 4 . 1 1 47 47 ASN H H 47 9.136 9.136 9.256 -0.120 19811 1304 1 4 . 1 1 48 48 GLY N N 48 103.028 103.028 103.658 -0.630 19811 1305 1 4 . 1 1 48 48 GLY CA C 48 45.279 45.279 45.112 0.167 19811 1306 1 4 . 1 1 48 48 GLY H H 48 8.633 8.633 8.533 0.100 19811 1307 1 4 . 1 1 49 49 LYS N N 49 121.730 121.730 123.039 -1.309 19811 1308 1 4 . 1 1 49 49 LYS HA H 49 4.572 4.572 4.630 -0.058 19811 1309 1 4 . 1 1 49 49 LYS CA C 49 54.677 54.677 55.269 -0.592 19811 1310 1 4 . 1 1 49 49 LYS CB C 49 33.823 33.823 33.708 0.115 19811 1311 1 4 . 1 1 49 49 LYS H H 49 7.790 7.790 7.696 0.094 19811 1312 1 4 . 1 1 50 50 THR N N 50 121.190 121.190 115.107 6.083 19811 1313 1 4 . 1 1 50 50 THR HA H 50 4.254 4.254 5.066 -0.812 19811 1314 1 4 . 1 1 50 50 THR CA C 50 63.304 63.304 60.681 2.623 19811 1315 1 4 . 1 1 50 50 THR CB C 50 68.732 68.732 69.912 -1.180 19811 1316 1 4 . 1 1 50 50 THR H H 50 8.735 8.735 8.398 0.337 19811 1317 1 4 . 1 1 51 51 LEU N N 51 127.406 127.406 123.899 3.507 19811 1318 1 4 . 1 1 51 51 LEU HA H 51 3.973 3.973 4.161 -0.188 19811 1319 1 4 . 1 1 51 51 LEU CA C 51 54.125 54.125 53.883 0.242 19811 1320 1 4 . 1 1 51 51 LEU CB C 51 41.715 41.715 42.891 -1.176 19811 1321 1 4 . 1 1 51 51 LEU H H 51 8.586 8.586 8.349 0.237 19811 1322 1 4 . 1 1 52 52 ASP N N 52 126.711 126.711 125.443 1.268 19811 1323 1 4 . 1 1 52 52 ASP HA H 52 4.840 4.840 4.893 -0.053 19811 1324 1 4 . 1 1 52 52 ASP CA C 52 51.377 51.377 52.655 -1.278 19811 1325 1 4 . 1 1 52 52 ASP CB C 52 43.019 43.019 42.089 0.930 19811 1326 1 4 . 1 1 52 52 ASP H H 52 8.974 8.974 8.135 0.839 19811 1327 1 4 . 1 1 53 53 PRO HA H 53 4.095 4.095 4.484 -0.389 19811 1328 1 4 . 1 1 53 53 PRO CA C 53 64.240 64.240 64.288 -0.048 19811 1329 1 4 . 1 1 53 53 PRO CB C 53 33.077 33.077 32.294 0.784 19811 1330 1 4 . 1 1 54 54 SER N N 54 110.024 110.024 113.277 -3.253 19811 1331 1 4 . 1 1 54 54 SER HA H 54 4.330 4.330 4.318 0.012 19811 1332 1 4 . 1 1 54 54 SER CA C 54 59.971 59.971 59.342 0.629 19811 1333 1 4 . 1 1 54 54 SER CB C 54 63.881 63.881 63.139 0.742 19811 1334 1 4 . 1 1 54 54 SER H H 54 8.643 8.643 8.385 0.258 19811 1335 1 4 . 1 1 55 55 LEU N N 55 123.514 123.514 120.284 3.230 19811 1336 1 4 . 1 1 55 55 LEU HA H 55 4.645 4.645 4.559 0.086 19811 1337 1 4 . 1 1 55 55 LEU CA C 55 50.579 50.579 54.364 -3.785 19811 1338 1 4 . 1 1 55 55 LEU CB C 55 43.928 43.928 43.151 0.777 19811 1339 1 4 . 1 1 55 55 LEU H H 55 7.722 7.722 7.369 0.353 19811 1340 1 4 . 1 1 56 56 THR N N 56 107.845 107.845 109.365 -1.520 19811 1341 1 4 . 1 1 56 56 THR HA H 56 4.921 4.921 4.572 0.349 19811 1342 1 4 . 1 1 56 56 THR CA C 56 60.266 60.266 60.882 -0.616 19811 1343 1 4 . 1 1 56 56 THR CB C 56 71.553 71.553 70.100 1.454 19811 1344 1 4 . 1 1 56 56 THR H H 56 8.335 8.335 8.062 0.273 19811 1345 1 4 . 1 1 57 57 LEU N N 57 118.354 118.354 120.254 -1.900 19811 1346 1 4 . 1 1 57 57 LEU HA H 57 3.992 3.992 4.573 -0.581 19811 1347 1 4 . 1 1 57 57 LEU CA C 57 58.658 58.658 57.048 1.610 19811 1348 1 4 . 1 1 57 57 LEU CB C 57 39.774 39.774 42.320 -2.546 19811 1349 1 4 . 1 1 57 57 LEU H H 57 8.117 8.117 8.697 -0.580 19811 1350 1 4 . 1 1 58 58 ALA N N 58 120.467 120.467 118.858 1.609 19811 1351 1 4 . 1 1 58 58 ALA HA H 58 4.075 4.075 4.233 -0.158 19811 1352 1 4 . 1 1 58 58 ALA CA C 58 55.047 55.047 53.675 1.372 19811 1353 1 4 . 1 1 58 58 ALA CB C 58 18.267 18.267 18.501 -0.234 19811 1354 1 4 . 1 1 58 58 ALA H H 58 8.730 8.730 8.383 0.347 19811 1355 1 4 . 1 1 59 59 GLU N N 59 119.907 119.907 117.726 2.181 19811 1356 1 4 . 1 1 59 59 GLU HA H 59 3.935 3.935 4.186 -0.251 19811 1357 1 4 . 1 1 59 59 GLU CA C 59 58.914 58.914 57.524 1.390 19811 1358 1 4 . 1 1 59 59 GLU CB C 59 29.623 29.623 29.816 -0.193 19811 1359 1 4 . 1 1 59 59 GLU H H 59 7.890 7.890 8.417 -0.527 19811 1360 1 4 . 1 1 60 60 TYR N N 60 116.582 116.582 118.732 -2.150 19811 1361 1 4 . 1 1 60 60 TYR HA H 60 4.554 4.554 4.477 0.077 19811 1362 1 4 . 1 1 60 60 TYR CA C 60 59.463 59.463 58.451 1.012 19811 1363 1 4 . 1 1 60 60 TYR CB C 60 40.288 40.288 39.483 0.805 19811 1364 1 4 . 1 1 60 60 TYR H H 60 7.448 7.448 7.581 -0.133 19811 1365 1 4 . 1 1 61 61 GLY N N 61 109.141 109.141 108.207 0.934 19811 1366 1 4 . 1 1 61 61 GLY CA C 61 46.380 46.380 45.023 1.357 19811 1367 1 4 . 1 1 61 61 GLY H H 61 8.067 8.067 7.871 0.196 19811 1368 1 4 . 1 1 62 62 ILE N N 62 120.506 120.506 121.761 -1.255 19811 1369 1 4 . 1 1 62 62 ILE HA H 62 3.614 3.614 4.467 -0.853 19811 1370 1 4 . 1 1 62 62 ILE CA C 62 61.392 61.392 60.855 0.537 19811 1371 1 4 . 1 1 62 62 ILE CB C 62 36.445 36.445 38.712 -2.267 19811 1372 1 4 . 1 1 62 62 ILE H H 62 7.416 7.416 7.613 -0.197 19811 1373 1 4 . 1 1 63 63 THR N N 63 117.984 117.984 118.638 -0.654 19811 1374 1 4 . 1 1 63 63 THR HA H 63 4.528 4.528 4.875 -0.347 19811 1375 1 4 . 1 1 63 63 THR CA C 63 58.942 58.942 59.158 -0.216 19811 1376 1 4 . 1 1 63 63 THR CB C 63 68.304 68.304 69.043 -0.739 19811 1377 1 4 . 1 1 63 63 THR H H 63 7.408 7.408 8.272 -0.864 19811 1378 1 4 . 1 1 64 64 PRO HA H 64 4.237 4.237 4.273 -0.036 19811 1379 1 4 . 1 1 64 64 PRO CA C 64 64.568 64.568 62.902 1.666 19811 1380 1 4 . 1 1 64 64 PRO CB C 64 31.861 31.861 31.949 -0.088 19811 1381 1 4 . 1 1 65 65 GLY N N 65 112.539 112.539 110.134 2.405 19811 1382 1 4 . 1 1 65 65 GLY CA C 65 44.719 44.719 45.038 -0.319 19811 1383 1 4 . 1 1 65 65 GLY H H 65 9.286 9.286 8.348 0.938 19811 1384 1 4 . 1 1 66 66 SER N N 66 116.523 116.523 117.319 -0.796 19811 1385 1 4 . 1 1 66 66 SER HA H 66 4.535 4.535 4.809 -0.274 19811 1386 1 4 . 1 1 66 66 SER CA C 66 60.415 60.415 57.347 3.068 19811 1387 1 4 . 1 1 66 66 SER CB C 66 64.604 64.604 64.698 -0.094 19811 1388 1 4 . 1 1 66 66 SER H H 66 7.822 7.822 7.850 -0.028 19811 1389 1 4 . 1 1 67 67 THR N N 67 118.238 118.238 114.785 3.453 19811 1390 1 4 . 1 1 67 67 THR HA H 67 5.342 5.342 4.452 0.890 19811 1391 1 4 . 1 1 67 67 THR CA C 67 62.059 62.059 61.635 0.424 19811 1392 1 4 . 1 1 67 67 THR CB C 67 70.858 70.858 69.150 1.708 19811 1393 1 4 . 1 1 67 67 THR H H 67 8.715 8.715 8.372 0.343 19811 1394 1 4 . 1 1 68 68 ILE N N 68 126.891 126.891 121.674 5.217 19811 1395 1 4 . 1 1 68 68 ILE HA H 68 4.761 4.761 4.684 0.077 19811 1396 1 4 . 1 1 68 68 ILE CA C 68 59.434 59.434 59.530 -0.096 19811 1397 1 4 . 1 1 68 68 ILE CB C 68 40.783 40.783 40.002 0.781 19811 1398 1 4 . 1 1 68 68 ILE H H 68 9.097 9.097 8.101 0.996 19811 1399 1 4 . 1 1 69 69 THR N N 69 120.333 120.333 117.278 3.055 19811 1400 1 4 . 1 1 69 69 THR HA H 69 4.566 4.566 4.795 -0.229 19811 1401 1 4 . 1 1 69 69 THR CA C 69 63.014 63.014 60.626 2.388 19811 1402 1 4 . 1 1 69 69 THR CB C 69 70.043 70.043 70.247 -0.204 19811 1403 1 4 . 1 1 69 69 THR H H 69 8.903 8.903 8.287 0.616 19811 1404 1 4 . 1 1 70 70 LEU N N 70 126.490 126.490 121.136 5.354 19811 1405 1 4 . 1 1 70 70 LEU HA H 70 4.984 4.984 5.427 -0.443 19811 1406 1 4 . 1 1 70 70 LEU CA C 70 54.088 54.088 53.097 0.991 19811 1407 1 4 . 1 1 70 70 LEU CB C 70 44.772 44.772 44.568 0.204 19811 1408 1 4 . 1 1 70 70 LEU H H 70 8.191 8.191 7.846 0.345 19811 1409 1 4 . 1 1 71 71 GLU N N 71 125.912 125.912 119.505 6.407 19811 1410 1 4 . 1 1 71 71 GLU HA H 71 4.505 4.505 4.686 -0.181 19811 1411 1 4 . 1 1 71 71 GLU CA C 71 54.828 54.828 55.215 -0.388 19811 1412 1 4 . 1 1 71 71 GLU CB C 71 33.391 33.391 33.693 -0.302 19811 1413 1 4 . 1 1 71 71 GLU H H 71 9.089 9.089 8.219 0.870 19811 1414 1 4 . 1 1 72 72 ILE N N 72 123.229 123.229 121.190 2.039 19811 1415 1 4 . 1 1 72 72 ILE HA H 72 4.570 4.570 4.416 0.154 19811 1416 1 4 . 1 1 72 72 ILE CA C 72 59.629 59.629 59.931 -0.302 19811 1417 1 4 . 1 1 72 72 ILE CB C 72 38.376 38.376 41.409 -3.033 19811 1418 1 4 . 1 1 72 72 ILE H H 72 8.526 8.526 8.398 0.128 19811 1419 1 4 . 1 1 73 73 LYS N N 73 129.392 129.392 126.444 2.948 19811 1420 1 4 . 1 1 73 73 LYS HA H 73 4.178 4.178 4.503 -0.325 19811 1421 1 4 . 1 1 73 73 LYS CA C 73 56.564 56.564 55.990 0.574 19811 1422 1 4 . 1 1 73 73 LYS CB C 73 33.320 33.320 33.055 0.265 19811 1423 1 4 . 1 1 73 73 LYS H H 73 8.837 8.837 8.572 0.265 19811 1424 1 4 . 1 1 74 74 LYS N N 74 123.476 123.476 123.032 0.444 19811 1425 1 4 . 1 1 74 74 LYS HA H 74 4.255 4.255 4.240 0.015 19811 1426 1 4 . 1 1 74 74 LYS CA C 74 56.000 56.000 56.857 -0.857 19811 1427 1 4 . 1 1 74 74 LYS CB C 74 33.223 33.223 33.132 0.091 19811 1428 1 4 . 1 1 74 74 LYS H H 74 8.266 8.266 8.583 -0.317 19811 1429 1 4 . 1 1 75 75 LYS N N 75 124.450 124.450 120.255 4.195 19811 1430 1 4 . 1 1 75 75 LYS HA H 75 4.245 4.245 4.402 -0.157 19811 1431 1 4 . 1 1 75 75 LYS CA C 75 56.677 56.677 56.061 0.616 19811 1432 1 4 . 1 1 75 75 LYS CB C 75 32.876 32.876 33.178 -0.302 19811 1433 1 4 . 1 1 75 75 LYS H H 75 8.572 8.572 7.918 0.654 19811 1434 1 4 . 1 1 76 76 GLY N N 76 110.666 110.666 109.434 1.232 19811 1435 1 4 . 1 1 76 76 GLY CA C 76 45.330 45.330 45.511 -0.181 19811 1436 1 4 . 1 1 76 76 GLY H H 76 8.549 8.549 8.503 0.046 19811 1437 1 4 . 1 1 77 77 GLY N N 77 108.740 108.740 107.383 1.357 19811 1438 1 4 . 1 1 77 77 GLY CA C 77 45.300 45.300 45.109 0.191 19811 1439 1 4 . 1 1 77 77 GLY H H 77 8.332 8.332 8.288 0.044 19811 1440 1 4 . 1 1 78 78 LEU N N 78 121.371 121.371 122.652 -1.281 19811 1441 1 4 . 1 1 78 78 LEU HA H 78 4.263 4.263 4.682 -0.419 19811 1442 1 4 . 1 1 78 78 LEU CA C 78 55.127 55.127 54.922 0.205 19811 1443 1 4 . 1 1 78 78 LEU CB C 78 42.290 42.290 43.140 -0.850 19811 1444 1 4 . 1 1 78 78 LEU H H 78 8.165 8.165 8.333 -0.168 19811 1445 1 5 . 1 1 2 2 ASP N N 2 121.707 121.707 116.738 4.969 19811 1446 1 5 . 1 1 2 2 ASP HA H 2 4.798 4.798 4.905 -0.107 19811 1447 1 5 . 1 1 2 2 ASP CA C 2 54.249 54.249 54.799 -0.550 19811 1448 1 5 . 1 1 2 2 ASP CB C 2 42.163 42.163 43.119 -0.956 19811 1449 1 5 . 1 1 2 2 ASP H H 2 8.479 8.479 8.268 0.211 19811 1450 1 5 . 1 1 3 3 THR N N 3 109.876 109.876 113.149 -3.273 19811 1451 1 5 . 1 1 3 3 THR HA H 3 5.324 5.324 5.282 0.042 19811 1452 1 5 . 1 1 3 3 THR CA C 3 59.553 59.553 60.586 -1.033 19811 1453 1 5 . 1 1 3 3 THR CB C 3 72.235 72.235 70.365 1.870 19811 1454 1 5 . 1 1 3 3 THR H H 3 7.857 7.857 7.648 0.209 19811 1455 1 5 . 1 1 4 4 ILE N N 4 115.792 115.792 116.665 -0.873 19811 1456 1 5 . 1 1 4 4 ILE HA H 4 4.464 4.464 4.664 -0.200 19811 1457 1 5 . 1 1 4 4 ILE CA C 4 59.314 59.314 59.160 0.153 19811 1458 1 5 . 1 1 4 4 ILE CB C 4 41.940 41.940 41.306 0.634 19811 1459 1 5 . 1 1 4 4 ILE H H 4 8.665 8.665 8.766 -0.101 19811 1460 1 5 . 1 1 5 5 ASN N N 5 119.913 119.913 121.028 -1.115 19811 1461 1 5 . 1 1 5 5 ASN HA H 5 5.438 5.438 5.380 0.058 19811 1462 1 5 . 1 1 5 5 ASN CA C 5 51.594 51.594 52.924 -1.330 19811 1463 1 5 . 1 1 5 5 ASN CB C 5 41.031 41.031 40.447 0.584 19811 1464 1 5 . 1 1 5 5 ASN H H 5 8.457 8.457 8.112 0.345 19811 1465 1 5 . 1 1 6 6 ILE N N 6 122.674 122.674 122.599 0.075 19811 1466 1 5 . 1 1 6 6 ILE HA H 6 5.035 5.035 4.428 0.607 19811 1467 1 5 . 1 1 6 6 ILE CA C 6 57.857 57.857 59.087 -1.230 19811 1468 1 5 . 1 1 6 6 ILE CB C 6 38.947 38.947 38.133 0.814 19811 1469 1 5 . 1 1 6 6 ILE H H 6 9.426 9.426 8.803 0.623 19811 1470 1 5 . 1 1 7 7 THR N N 7 124.398 124.398 123.858 0.540 19811 1471 1 5 . 1 1 7 7 THR HA H 7 4.512 4.512 4.662 -0.150 19811 1472 1 5 . 1 1 7 7 THR CA C 7 62.639 62.639 62.016 0.623 19811 1473 1 5 . 1 1 7 7 THR CB C 7 69.074 69.074 69.509 -0.435 19811 1474 1 5 . 1 1 7 7 THR H H 7 9.152 9.152 8.285 0.867 19811 1475 1 5 . 1 1 8 8 LEU N N 8 127.909 127.909 127.266 0.643 19811 1476 1 5 . 1 1 8 8 LEU HA H 8 4.601 4.601 4.905 -0.304 19811 1477 1 5 . 1 1 8 8 LEU CA C 8 53.537 53.537 51.698 1.839 19811 1478 1 5 . 1 1 8 8 LEU CB C 8 39.928 39.928 44.171 -4.243 19811 1479 1 5 . 1 1 8 8 LEU H H 8 8.992 8.992 7.943 1.049 19811 1480 1 5 . 1 1 9 9 PRO HA H 9 4.419 4.419 4.387 0.032 19811 1481 1 5 . 1 1 9 9 PRO CA C 9 65.184 65.184 65.151 0.033 19811 1482 1 5 . 1 1 9 9 PRO CB C 9 31.999 31.999 31.726 0.273 19811 1483 1 5 . 1 1 10 10 ASP N N 10 113.521 113.521 117.087 -3.566 19811 1484 1 5 . 1 1 10 10 ASP HA H 10 4.490 4.490 4.614 -0.124 19811 1485 1 5 . 1 1 10 10 ASP CA C 10 53.129 53.129 53.995 -0.866 19811 1486 1 5 . 1 1 10 10 ASP CB C 10 39.986 39.986 41.278 -1.292 19811 1487 1 5 . 1 1 10 10 ASP H H 10 7.678 7.678 8.033 -0.355 19811 1488 1 5 . 1 1 11 11 GLY N N 11 108.658 108.658 107.118 1.540 19811 1489 1 5 . 1 1 11 11 GLY CA C 11 45.218 45.218 44.966 0.252 19811 1490 1 5 . 1 1 11 11 GLY H H 11 8.376 8.376 7.777 0.599 19811 1491 1 5 . 1 1 12 12 LYS N N 12 121.449 121.449 119.510 1.939 19811 1492 1 5 . 1 1 12 12 LYS HA H 12 4.331 4.331 4.655 -0.324 19811 1493 1 5 . 1 1 12 12 LYS CA C 12 56.660 56.660 55.305 1.355 19811 1494 1 5 . 1 1 12 12 LYS CB C 12 33.199 33.199 33.678 -0.479 19811 1495 1 5 . 1 1 12 12 LYS H H 12 7.766 7.766 7.770 -0.004 19811 1496 1 5 . 1 1 13 13 THR N N 13 113.928 113.928 113.658 0.270 19811 1497 1 5 . 1 1 13 13 THR HA H 13 5.193 5.193 5.610 -0.417 19811 1498 1 5 . 1 1 13 13 THR CA C 13 61.734 61.734 59.979 1.755 19811 1499 1 5 . 1 1 13 13 THR CB C 13 71.481 71.481 70.486 0.995 19811 1500 1 5 . 1 1 13 13 THR H H 13 8.248 8.248 8.281 -0.033 19811 1501 1 5 . 1 1 14 14 LEU N N 14 128.446 128.446 124.030 4.416 19811 1502 1 5 . 1 1 14 14 LEU HA H 14 4.739 4.739 4.866 -0.127 19811 1503 1 5 . 1 1 14 14 LEU CA C 14 53.403 53.403 54.146 -0.743 19811 1504 1 5 . 1 1 14 14 LEU CB C 14 45.480 45.480 45.950 -0.471 19811 1505 1 5 . 1 1 14 14 LEU H H 14 9.270 9.270 8.333 0.937 19811 1506 1 5 . 1 1 15 15 THR N N 15 123.048 123.048 118.044 5.004 19811 1507 1 5 . 1 1 15 15 THR HA H 15 5.191 5.191 5.252 -0.061 19811 1508 1 5 . 1 1 15 15 THR CA C 15 61.986 61.986 60.769 1.217 19811 1509 1 5 . 1 1 15 15 THR CB C 15 70.339 70.339 69.686 0.653 19811 1510 1 5 . 1 1 15 15 THR H H 15 8.759 8.759 8.170 0.589 19811 1511 1 5 . 1 1 16 16 LEU N N 16 125.874 125.874 127.835 -1.961 19811 1512 1 5 . 1 1 16 16 LEU HA H 16 4.770 4.770 4.729 0.041 19811 1513 1 5 . 1 1 16 16 LEU CA C 16 53.222 53.222 53.474 -0.252 19811 1514 1 5 . 1 1 16 16 LEU CB C 16 45.322 45.322 46.174 -0.852 19811 1515 1 5 . 1 1 16 16 LEU H H 16 8.551 8.551 8.948 -0.397 19811 1516 1 5 . 1 1 17 17 THR N N 17 117.080 117.080 121.980 -4.900 19811 1517 1 5 . 1 1 17 17 THR HA H 17 4.629 4.629 4.430 0.199 19811 1518 1 5 . 1 1 17 17 THR CA C 17 61.950 61.950 62.070 -0.120 19811 1519 1 5 . 1 1 17 17 THR CB C 17 69.202 69.202 68.900 0.302 19811 1520 1 5 . 1 1 17 17 THR H H 17 8.342 8.342 8.354 -0.012 19811 1521 1 5 . 1 1 18 18 VAL N N 18 116.699 116.699 122.112 -5.413 19811 1522 1 5 . 1 1 18 18 VAL HA H 18 3.910 3.910 3.955 -0.045 19811 1523 1 5 . 1 1 18 18 VAL CA C 18 58.565 58.565 58.487 0.078 19811 1524 1 5 . 1 1 18 18 VAL CB C 18 35.910 35.910 34.155 1.755 19811 1525 1 5 . 1 1 18 18 VAL H H 18 8.131 8.131 7.990 0.141 19811 1526 1 5 . 1 1 19 19 THR N N 19 110.389 110.389 107.248 3.141 19811 1527 1 5 . 1 1 19 19 THR HA H 19 4.807 4.807 4.861 -0.054 19811 1528 1 5 . 1 1 19 19 THR CA C 19 58.916 58.916 58.297 0.619 19811 1529 1 5 . 1 1 19 19 THR CB C 19 68.674 68.674 70.350 -1.676 19811 1530 1 5 . 1 1 19 19 THR H H 19 6.219 6.219 7.460 -1.241 19811 1531 1 5 . 1 1 20 20 PRO HA H 20 4.382 4.382 4.362 0.020 19811 1532 1 5 . 1 1 20 20 PRO CA C 20 65.110 65.110 64.815 0.295 19811 1533 1 5 . 1 1 20 20 PRO CB C 20 31.996 31.996 31.993 0.003 19811 1534 1 5 . 1 1 21 21 GLU N N 21 113.087 113.087 115.161 -2.074 19811 1535 1 5 . 1 1 21 21 GLU HA H 21 4.350 4.350 4.313 0.037 19811 1536 1 5 . 1 1 21 21 GLU CA C 21 56.513 56.513 55.856 0.657 19811 1537 1 5 . 1 1 21 21 GLU CB C 21 29.153 29.153 29.718 -0.565 19811 1538 1 5 . 1 1 21 21 GLU H H 21 7.960 7.960 8.267 -0.307 19811 1539 1 5 . 1 1 22 22 PHE N N 22 123.828 123.828 119.917 3.911 19811 1540 1 5 . 1 1 22 22 PHE HA H 22 4.518 4.518 4.558 -0.040 19811 1541 1 5 . 1 1 22 22 PHE CA C 22 58.778 58.778 58.232 0.546 19811 1542 1 5 . 1 1 22 22 PHE CB C 22 40.224 40.224 40.293 -0.069 19811 1543 1 5 . 1 1 22 22 PHE H H 22 7.724 7.724 7.807 -0.083 19811 1544 1 5 . 1 1 23 23 THR N N 23 114.031 114.031 113.870 0.161 19811 1545 1 5 . 1 1 23 23 THR HA H 23 4.791 4.791 4.390 0.401 19811 1546 1 5 . 1 1 23 23 THR CA C 23 60.340 60.340 60.740 -0.400 19811 1547 1 5 . 1 1 23 23 THR CB C 23 71.791 71.791 71.102 0.689 19811 1548 1 5 . 1 1 23 23 THR H H 23 8.504 8.504 7.898 0.606 19811 1549 1 5 . 1 1 24 24 VAL N N 24 122.541 122.541 120.735 1.806 19811 1550 1 5 . 1 1 24 24 VAL HA H 24 3.427 3.427 3.792 -0.365 19811 1551 1 5 . 1 1 24 24 VAL CA C 24 66.745 66.745 66.161 0.584 19811 1552 1 5 . 1 1 24 24 VAL CB C 24 30.735 30.735 30.835 -0.100 19811 1553 1 5 . 1 1 24 24 VAL H H 24 8.918 8.918 8.287 0.631 19811 1554 1 5 . 1 1 25 25 LYS N N 25 121.079 121.079 120.002 1.077 19811 1555 1 5 . 1 1 25 25 LYS HA H 25 3.912 3.912 4.068 -0.156 19811 1556 1 5 . 1 1 25 25 LYS CA C 25 59.950 59.950 59.431 0.520 19811 1557 1 5 . 1 1 25 25 LYS CB C 25 32.824 32.824 32.190 0.634 19811 1558 1 5 . 1 1 25 25 LYS H H 25 8.622 8.622 8.151 0.471 19811 1559 1 5 . 1 1 26 26 GLU N N 26 118.646 118.646 120.448 -1.802 19811 1560 1 5 . 1 1 26 26 GLU HA H 26 3.859 3.859 4.091 -0.232 19811 1561 1 5 . 1 1 26 26 GLU CA C 26 59.012 59.012 59.111 -0.098 19811 1562 1 5 . 1 1 26 26 GLU CB C 26 29.344 29.344 29.636 -0.292 19811 1563 1 5 . 1 1 26 26 GLU H H 26 7.734 7.734 7.528 0.206 19811 1564 1 5 . 1 1 27 27 LEU N N 27 122.155 122.155 120.632 1.523 19811 1565 1 5 . 1 1 27 27 LEU HA H 27 4.136 4.136 4.299 -0.163 19811 1566 1 5 . 1 1 27 27 LEU CA C 27 58.226 58.226 57.758 0.468 19811 1567 1 5 . 1 1 27 27 LEU CB C 27 41.986 41.986 42.244 -0.258 19811 1568 1 5 . 1 1 27 27 LEU H H 27 8.000 8.000 8.326 -0.326 19811 1569 1 5 . 1 1 28 28 ALA N N 28 121.362 121.362 120.263 1.099 19811 1570 1 5 . 1 1 28 28 ALA HA H 28 3.837 3.837 4.091 -0.254 19811 1571 1 5 . 1 1 28 28 ALA CA C 28 55.872 55.872 55.115 0.757 19811 1572 1 5 . 1 1 28 28 ALA CB C 28 17.902 17.902 18.275 -0.373 19811 1573 1 5 . 1 1 28 28 ALA H H 28 8.899 8.899 7.766 1.133 19811 1574 1 5 . 1 1 29 29 GLU N N 29 116.582 116.582 118.392 -1.810 19811 1575 1 5 . 1 1 29 29 GLU HA H 29 3.814 3.814 4.042 -0.228 19811 1576 1 5 . 1 1 29 29 GLU CA C 29 59.849 59.849 59.039 0.810 19811 1577 1 5 . 1 1 29 29 GLU CB C 29 29.185 29.185 28.880 0.305 19811 1578 1 5 . 1 1 29 29 GLU H H 29 8.437 8.437 7.973 0.464 19811 1579 1 5 . 1 1 30 30 GLU N N 30 121.430 121.430 120.081 1.349 19811 1580 1 5 . 1 1 30 30 GLU HA H 30 4.293 4.293 4.157 0.136 19811 1581 1 5 . 1 1 30 30 GLU CA C 30 58.829 58.829 58.998 -0.169 19811 1582 1 5 . 1 1 30 30 GLU CB C 30 28.720 28.720 29.893 -1.173 19811 1583 1 5 . 1 1 30 30 GLU H H 30 7.877 7.877 7.715 0.162 19811 1584 1 5 . 1 1 31 31 ILE N N 31 119.644 119.644 120.283 -0.639 19811 1585 1 5 . 1 1 31 31 ILE HA H 31 3.289 3.289 3.850 -0.561 19811 1586 1 5 . 1 1 31 31 ILE CA C 31 65.937 65.937 63.412 2.525 19811 1587 1 5 . 1 1 31 31 ILE CB C 31 38.338 38.338 38.184 0.154 19811 1588 1 5 . 1 1 31 31 ILE H H 31 8.438 8.438 7.505 0.933 19811 1589 1 5 . 1 1 32 32 ALA N N 32 120.190 120.190 121.945 -1.755 19811 1590 1 5 . 1 1 32 32 ALA HA H 32 3.637 3.637 4.032 -0.395 19811 1591 1 5 . 1 1 32 32 ALA CA C 32 56.071 56.071 54.908 1.163 19811 1592 1 5 . 1 1 32 32 ALA CB C 32 17.287 17.287 18.235 -0.948 19811 1593 1 5 . 1 1 32 32 ALA H H 32 8.609 8.609 7.761 0.848 19811 1594 1 5 . 1 1 33 33 ARG N N 33 116.846 116.846 117.641 -0.795 19811 1595 1 5 . 1 1 33 33 ARG HA H 33 4.085 4.085 4.055 0.030 19811 1596 1 5 . 1 1 33 33 ARG CA C 33 59.367 59.367 58.971 0.396 19811 1597 1 5 . 1 1 33 33 ARG CB C 33 30.575 30.575 30.437 0.138 19811 1598 1 5 . 1 1 33 33 ARG H H 33 7.817 7.817 7.671 0.146 19811 1599 1 5 . 1 1 34 34 ARG N N 34 118.212 118.212 117.134 1.078 19811 1600 1 5 . 1 1 34 34 ARG HA H 34 4.078 4.078 4.234 -0.156 19811 1601 1 5 . 1 1 34 34 ARG CA C 34 58.321 58.321 57.887 0.434 19811 1602 1 5 . 1 1 34 34 ARG CB C 34 29.771 29.771 30.137 -0.366 19811 1603 1 5 . 1 1 34 34 ARG H H 34 7.922 7.922 7.997 -0.075 19811 1604 1 5 . 1 1 35 35 LEU N N 35 115.523 115.523 118.542 -3.019 19811 1605 1 5 . 1 1 35 35 LEU HA H 35 4.426 4.426 4.525 -0.099 19811 1606 1 5 . 1 1 35 35 LEU CA C 35 54.601 54.601 55.100 -0.499 19811 1607 1 5 . 1 1 35 35 LEU CB C 35 42.895 42.895 42.842 0.053 19811 1608 1 5 . 1 1 35 35 LEU H H 35 7.999 7.999 7.476 0.523 19811 1609 1 5 . 1 1 36 36 GLY N N 36 110.277 110.277 107.920 2.357 19811 1610 1 5 . 1 1 36 36 GLY CA C 36 46.906 46.906 45.648 1.258 19811 1611 1 5 . 1 1 36 36 GLY H H 36 7.864 7.864 8.007 -0.143 19811 1612 1 5 . 1 1 37 37 LEU N N 37 119.310 119.310 118.197 1.113 19811 1613 1 5 . 1 1 37 37 LEU HA H 37 4.691 4.691 4.674 0.017 19811 1614 1 5 . 1 1 37 37 LEU CA C 37 52.642 52.642 52.926 -0.284 19811 1615 1 5 . 1 1 37 37 LEU CB C 37 45.355 45.355 44.668 0.687 19811 1616 1 5 . 1 1 37 37 LEU H H 37 8.025 8.025 7.656 0.369 19811 1617 1 5 . 1 1 38 38 SER N N 38 115.906 115.906 115.148 0.758 19811 1618 1 5 . 1 1 38 38 SER HA H 38 4.955 4.955 4.924 0.031 19811 1619 1 5 . 1 1 38 38 SER CA C 38 55.376 55.376 55.953 -0.577 19811 1620 1 5 . 1 1 38 38 SER CB C 38 63.732 63.732 64.242 -0.510 19811 1621 1 5 . 1 1 38 38 SER H H 38 8.662 8.662 8.360 0.302 19811 1622 1 5 . 1 1 39 39 PRO HA H 39 3.976 3.976 4.317 -0.341 19811 1623 1 5 . 1 1 39 39 PRO CA C 39 65.434 65.434 64.358 1.077 19811 1624 1 5 . 1 1 39 39 PRO CB C 39 31.527 31.527 32.107 -0.580 19811 1625 1 5 . 1 1 40 40 GLU N N 40 115.609 115.609 115.074 0.535 19811 1626 1 5 . 1 1 40 40 GLU HA H 40 4.115 4.115 4.186 -0.071 19811 1627 1 5 . 1 1 40 40 GLU CA C 40 57.861 57.861 57.434 0.427 19811 1628 1 5 . 1 1 40 40 GLU CB C 40 28.842 28.842 29.288 -0.446 19811 1629 1 5 . 1 1 40 40 GLU H H 40 8.455 8.455 8.264 0.191 19811 1630 1 5 . 1 1 41 41 ASP N N 41 118.239 118.239 117.266 0.973 19811 1631 1 5 . 1 1 41 41 ASP HA H 41 4.711 4.711 4.731 -0.020 19811 1632 1 5 . 1 1 41 41 ASP CA C 41 54.862 54.862 55.970 -1.108 19811 1633 1 5 . 1 1 41 41 ASP CB C 41 41.920 41.920 42.861 -0.942 19811 1634 1 5 . 1 1 41 41 ASP H H 41 7.814 7.814 7.649 0.165 19811 1635 1 5 . 1 1 42 42 ILE N N 42 116.579 116.579 119.444 -2.865 19811 1636 1 5 . 1 1 42 42 ILE HA H 42 4.305 4.305 4.146 0.159 19811 1637 1 5 . 1 1 42 42 ILE CA C 42 60.232 60.232 61.330 -1.097 19811 1638 1 5 . 1 1 42 42 ILE CB C 42 39.070 39.070 38.262 0.808 19811 1639 1 5 . 1 1 42 42 ILE H H 42 7.069 7.069 7.283 -0.214 19811 1640 1 5 . 1 1 43 43 LYS N N 43 128.374 128.374 127.484 0.890 19811 1641 1 5 . 1 1 43 43 LYS HA H 43 4.489 4.489 4.696 -0.207 19811 1642 1 5 . 1 1 43 43 LYS CA C 43 54.924 54.924 54.682 0.242 19811 1643 1 5 . 1 1 43 43 LYS CB C 43 35.322 35.322 36.169 -0.847 19811 1644 1 5 . 1 1 43 43 LYS H H 43 8.709 8.709 8.126 0.583 19811 1645 1 5 . 1 1 44 44 LEU N N 44 126.700 126.700 126.186 0.514 19811 1646 1 5 . 1 1 44 44 LEU HA H 44 5.368 5.368 4.636 0.732 19811 1647 1 5 . 1 1 44 44 LEU CA C 44 52.839 52.839 54.401 -1.562 19811 1648 1 5 . 1 1 44 44 LEU CB C 44 44.529 44.529 43.469 1.060 19811 1649 1 5 . 1 1 44 44 LEU H H 44 8.929 8.929 8.781 0.148 19811 1650 1 5 . 1 1 45 45 THR N N 45 112.945 112.945 119.308 -6.363 19811 1651 1 5 . 1 1 45 45 THR HA H 45 5.282 5.282 5.043 0.239 19811 1652 1 5 . 1 1 45 45 THR CA C 45 59.240 59.240 61.288 -2.048 19811 1653 1 5 . 1 1 45 45 THR CB C 45 72.146 72.146 70.453 1.693 19811 1654 1 5 . 1 1 45 45 THR H H 45 8.846 8.846 8.334 0.512 19811 1655 1 5 . 1 1 46 46 HIS N N 46 120.347 120.347 124.613 -4.266 19811 1656 1 5 . 1 1 46 46 HIS HA H 46 4.956 4.956 4.843 0.113 19811 1657 1 5 . 1 1 46 46 HIS CA C 46 55.757 55.757 55.577 0.180 19811 1658 1 5 . 1 1 46 46 HIS CB C 46 34.673 34.673 32.562 2.111 19811 1659 1 5 . 1 1 46 46 HIS H H 46 8.620 8.620 9.139 -0.519 19811 1660 1 5 . 1 1 47 47 ASN N N 47 128.187 128.187 126.257 1.930 19811 1661 1 5 . 1 1 47 47 ASN HA H 47 4.178 4.178 4.281 -0.103 19811 1662 1 5 . 1 1 47 47 ASN CA C 47 53.481 53.481 53.836 -0.355 19811 1663 1 5 . 1 1 47 47 ASN CB C 47 36.888 36.888 37.555 -0.667 19811 1664 1 5 . 1 1 47 47 ASN H H 47 9.136 9.136 9.169 -0.033 19811 1665 1 5 . 1 1 48 48 GLY N N 48 103.028 103.028 103.539 -0.511 19811 1666 1 5 . 1 1 48 48 GLY CA C 48 45.279 45.279 45.098 0.181 19811 1667 1 5 . 1 1 48 48 GLY H H 48 8.633 8.633 8.490 0.143 19811 1668 1 5 . 1 1 49 49 LYS N N 49 121.730 121.730 122.572 -0.842 19811 1669 1 5 . 1 1 49 49 LYS HA H 49 4.572 4.572 4.659 -0.087 19811 1670 1 5 . 1 1 49 49 LYS CA C 49 54.677 54.677 55.251 -0.574 19811 1671 1 5 . 1 1 49 49 LYS CB C 49 33.823 33.823 34.216 -0.393 19811 1672 1 5 . 1 1 49 49 LYS H H 49 7.790 7.790 7.649 0.141 19811 1673 1 5 . 1 1 50 50 THR N N 50 121.190 121.190 113.788 7.402 19811 1674 1 5 . 1 1 50 50 THR HA H 50 4.254 4.254 5.152 -0.898 19811 1675 1 5 . 1 1 50 50 THR CA C 50 63.304 63.304 60.714 2.590 19811 1676 1 5 . 1 1 50 50 THR CB C 50 68.732 68.732 70.058 -1.326 19811 1677 1 5 . 1 1 50 50 THR H H 50 8.735 8.735 8.342 0.393 19811 1678 1 5 . 1 1 51 51 LEU N N 51 127.406 127.406 122.576 4.830 19811 1679 1 5 . 1 1 51 51 LEU HA H 51 3.973 3.973 4.180 -0.207 19811 1680 1 5 . 1 1 51 51 LEU CA C 51 54.125 54.125 54.130 -0.005 19811 1681 1 5 . 1 1 51 51 LEU CB C 51 41.715 41.715 42.988 -1.273 19811 1682 1 5 . 1 1 51 51 LEU H H 51 8.586 8.586 8.177 0.409 19811 1683 1 5 . 1 1 52 52 ASP N N 52 126.711 126.711 124.461 2.250 19811 1684 1 5 . 1 1 52 52 ASP HA H 52 4.840 4.840 4.924 -0.084 19811 1685 1 5 . 1 1 52 52 ASP CA C 52 51.377 51.377 51.559 -0.182 19811 1686 1 5 . 1 1 52 52 ASP CB C 52 43.019 43.019 43.230 -0.210 19811 1687 1 5 . 1 1 52 52 ASP H H 52 8.974 8.974 8.074 0.900 19811 1688 1 5 . 1 1 53 53 PRO HA H 53 4.095 4.095 4.327 -0.232 19811 1689 1 5 . 1 1 53 53 PRO CA C 53 64.240 64.240 64.458 -0.218 19811 1690 1 5 . 1 1 53 53 PRO CB C 53 33.077 33.077 32.189 0.888 19811 1691 1 5 . 1 1 54 54 SER N N 54 110.024 110.024 112.873 -2.849 19811 1692 1 5 . 1 1 54 54 SER HA H 54 4.330 4.330 4.287 0.043 19811 1693 1 5 . 1 1 54 54 SER CA C 54 59.971 59.971 59.844 0.127 19811 1694 1 5 . 1 1 54 54 SER CB C 54 63.881 63.881 63.338 0.543 19811 1695 1 5 . 1 1 54 54 SER H H 54 8.643 8.643 7.941 0.702 19811 1696 1 5 . 1 1 55 55 LEU N N 55 123.514 123.514 122.185 1.329 19811 1697 1 5 . 1 1 55 55 LEU HA H 55 4.645 4.645 4.514 0.131 19811 1698 1 5 . 1 1 55 55 LEU CA C 55 50.579 50.579 53.917 -3.338 19811 1699 1 5 . 1 1 55 55 LEU CB C 55 43.928 43.928 43.457 0.471 19811 1700 1 5 . 1 1 55 55 LEU H H 55 7.722 7.722 7.476 0.246 19811 1701 1 5 . 1 1 56 56 THR N N 56 107.845 107.845 109.288 -1.443 19811 1702 1 5 . 1 1 56 56 THR HA H 56 4.921 4.921 4.585 0.336 19811 1703 1 5 . 1 1 56 56 THR CA C 56 60.266 60.266 61.078 -0.812 19811 1704 1 5 . 1 1 56 56 THR CB C 56 71.553 71.553 70.847 0.707 19811 1705 1 5 . 1 1 56 56 THR H H 56 8.335 8.335 8.119 0.216 19811 1706 1 5 . 1 1 57 57 LEU N N 57 118.354 118.354 120.678 -2.324 19811 1707 1 5 . 1 1 57 57 LEU HA H 57 3.992 3.992 4.583 -0.591 19811 1708 1 5 . 1 1 57 57 LEU CA C 57 58.658 58.658 57.078 1.579 19811 1709 1 5 . 1 1 57 57 LEU CB C 57 39.774 39.774 42.164 -2.390 19811 1710 1 5 . 1 1 57 57 LEU H H 57 8.117 8.117 8.810 -0.693 19811 1711 1 5 . 1 1 58 58 ALA N N 58 120.467 120.467 119.309 1.158 19811 1712 1 5 . 1 1 58 58 ALA HA H 58 4.075 4.075 4.237 -0.162 19811 1713 1 5 . 1 1 58 58 ALA CA C 58 55.047 55.047 53.865 1.181 19811 1714 1 5 . 1 1 58 58 ALA CB C 58 18.267 18.267 18.404 -0.137 19811 1715 1 5 . 1 1 58 58 ALA H H 58 8.730 8.730 8.344 0.386 19811 1716 1 5 . 1 1 59 59 GLU N N 59 119.907 119.907 118.008 1.899 19811 1717 1 5 . 1 1 59 59 GLU HA H 59 3.935 3.935 4.181 -0.246 19811 1718 1 5 . 1 1 59 59 GLU CA C 59 58.914 58.914 57.891 1.023 19811 1719 1 5 . 1 1 59 59 GLU CB C 59 29.623 29.623 29.743 -0.120 19811 1720 1 5 . 1 1 59 59 GLU H H 59 7.890 7.890 8.372 -0.482 19811 1721 1 5 . 1 1 60 60 TYR N N 60 116.582 116.582 118.245 -1.663 19811 1722 1 5 . 1 1 60 60 TYR HA H 60 4.554 4.554 4.444 0.110 19811 1723 1 5 . 1 1 60 60 TYR CA C 60 59.463 59.463 58.877 0.586 19811 1724 1 5 . 1 1 60 60 TYR CB C 60 40.288 40.288 39.169 1.119 19811 1725 1 5 . 1 1 60 60 TYR H H 60 7.448 7.448 7.676 -0.228 19811 1726 1 5 . 1 1 61 61 GLY N N 61 109.141 109.141 107.828 1.313 19811 1727 1 5 . 1 1 61 61 GLY CA C 61 46.380 46.380 45.017 1.363 19811 1728 1 5 . 1 1 61 61 GLY H H 61 8.067 8.067 7.959 0.108 19811 1729 1 5 . 1 1 62 62 ILE N N 62 120.506 120.506 120.748 -0.242 19811 1730 1 5 . 1 1 62 62 ILE HA H 62 3.614 3.614 4.520 -0.906 19811 1731 1 5 . 1 1 62 62 ILE CA C 62 61.392 61.392 60.377 1.015 19811 1732 1 5 . 1 1 62 62 ILE CB C 62 36.445 36.445 39.230 -2.785 19811 1733 1 5 . 1 1 62 62 ILE H H 62 7.416 7.416 7.474 -0.058 19811 1734 1 5 . 1 1 63 63 THR N N 63 117.984 117.984 117.423 0.561 19811 1735 1 5 . 1 1 63 63 THR HA H 63 4.528 4.528 4.918 -0.390 19811 1736 1 5 . 1 1 63 63 THR CA C 63 58.942 58.942 58.963 -0.021 19811 1737 1 5 . 1 1 63 63 THR CB C 63 68.304 68.304 69.598 -1.294 19811 1738 1 5 . 1 1 63 63 THR H H 63 7.408 7.408 8.402 -0.994 19811 1739 1 5 . 1 1 64 64 PRO HA H 64 4.237 4.237 4.266 -0.029 19811 1740 1 5 . 1 1 64 64 PRO CA C 64 64.568 64.568 63.223 1.345 19811 1741 1 5 . 1 1 64 64 PRO CB C 64 31.861 31.861 31.869 -0.008 19811 1742 1 5 . 1 1 65 65 GLY N N 65 112.539 112.539 110.799 1.740 19811 1743 1 5 . 1 1 65 65 GLY CA C 65 44.719 44.719 44.989 -0.270 19811 1744 1 5 . 1 1 65 65 GLY H H 65 9.286 9.286 8.262 1.024 19811 1745 1 5 . 1 1 66 66 SER N N 66 116.523 116.523 116.918 -0.395 19811 1746 1 5 . 1 1 66 66 SER HA H 66 4.535 4.535 4.765 -0.230 19811 1747 1 5 . 1 1 66 66 SER CA C 66 60.415 60.415 57.561 2.854 19811 1748 1 5 . 1 1 66 66 SER CB C 66 64.604 64.604 65.265 -0.661 19811 1749 1 5 . 1 1 66 66 SER H H 66 7.822 7.822 7.660 0.162 19811 1750 1 5 . 1 1 67 67 THR N N 67 118.238 118.238 114.122 4.116 19811 1751 1 5 . 1 1 67 67 THR HA H 67 5.342 5.342 4.406 0.936 19811 1752 1 5 . 1 1 67 67 THR CA C 67 62.059 62.059 61.420 0.639 19811 1753 1 5 . 1 1 67 67 THR CB C 67 70.858 70.858 69.457 1.401 19811 1754 1 5 . 1 1 67 67 THR H H 67 8.715 8.715 8.282 0.433 19811 1755 1 5 . 1 1 68 68 ILE N N 68 126.891 126.891 126.105 0.786 19811 1756 1 5 . 1 1 68 68 ILE HA H 68 4.761 4.761 4.546 0.215 19811 1757 1 5 . 1 1 68 68 ILE CA C 68 59.434 59.434 58.747 0.687 19811 1758 1 5 . 1 1 68 68 ILE CB C 68 40.783 40.783 39.141 1.643 19811 1759 1 5 . 1 1 68 68 ILE H H 68 9.097 9.097 8.254 0.843 19811 1760 1 5 . 1 1 69 69 THR N N 69 120.333 120.333 119.669 0.664 19811 1761 1 5 . 1 1 69 69 THR HA H 69 4.566 4.566 4.627 -0.061 19811 1762 1 5 . 1 1 69 69 THR CA C 69 63.014 63.014 61.843 1.171 19811 1763 1 5 . 1 1 69 69 THR CB C 69 70.043 70.043 69.720 0.323 19811 1764 1 5 . 1 1 69 69 THR H H 69 8.903 8.903 8.613 0.290 19811 1765 1 5 . 1 1 70 70 LEU N N 70 126.490 126.490 127.934 -1.444 19811 1766 1 5 . 1 1 70 70 LEU HA H 70 4.984 4.984 4.773 0.211 19811 1767 1 5 . 1 1 70 70 LEU CA C 70 54.088 54.088 54.136 -0.048 19811 1768 1 5 . 1 1 70 70 LEU CB C 70 44.772 44.772 45.137 -0.365 19811 1769 1 5 . 1 1 70 70 LEU H H 70 8.191 8.191 8.023 0.168 19811 1770 1 5 . 1 1 71 71 GLU N N 71 125.912 125.912 125.004 0.908 19811 1771 1 5 . 1 1 71 71 GLU HA H 71 4.505 4.505 4.762 -0.257 19811 1772 1 5 . 1 1 71 71 GLU CA C 71 54.828 54.828 55.236 -0.408 19811 1773 1 5 . 1 1 71 71 GLU CB C 71 33.391 33.391 33.243 0.147 19811 1774 1 5 . 1 1 71 71 GLU H H 71 9.089 9.089 8.220 0.869 19811 1775 1 5 . 1 1 72 72 ILE N N 72 123.229 123.229 123.751 -0.522 19811 1776 1 5 . 1 1 72 72 ILE HA H 72 4.570 4.570 4.392 0.178 19811 1777 1 5 . 1 1 72 72 ILE CA C 72 59.629 59.629 60.401 -0.772 19811 1778 1 5 . 1 1 72 72 ILE CB C 72 38.376 38.376 39.546 -1.170 19811 1779 1 5 . 1 1 72 72 ILE H H 72 8.526 8.526 8.523 0.003 19811 1780 1 5 . 1 1 73 73 LYS N N 73 129.392 129.392 128.008 1.384 19811 1781 1 5 . 1 1 73 73 LYS HA H 73 4.178 4.178 4.629 -0.451 19811 1782 1 5 . 1 1 73 73 LYS CA C 73 56.564 56.564 55.543 1.021 19811 1783 1 5 . 1 1 73 73 LYS CB C 73 33.320 33.320 34.245 -0.925 19811 1784 1 5 . 1 1 73 73 LYS H H 73 8.837 8.837 8.054 0.783 19811 1785 1 5 . 1 1 74 74 LYS N N 74 123.476 123.476 119.818 3.658 19811 1786 1 5 . 1 1 74 74 LYS HA H 74 4.255 4.255 4.505 -0.250 19811 1787 1 5 . 1 1 74 74 LYS CA C 74 56.000 56.000 56.390 -0.390 19811 1788 1 5 . 1 1 74 74 LYS CB C 74 33.223 33.223 34.099 -0.876 19811 1789 1 5 . 1 1 74 74 LYS H H 74 8.266 8.266 8.375 -0.109 19811 1790 1 5 . 1 1 75 75 LYS N N 75 124.450 124.450 121.078 3.372 19811 1791 1 5 . 1 1 75 75 LYS HA H 75 4.245 4.245 4.533 -0.288 19811 1792 1 5 . 1 1 75 75 LYS CA C 75 56.677 56.677 55.517 1.160 19811 1793 1 5 . 1 1 75 75 LYS CB C 75 32.876 32.876 34.000 -1.124 19811 1794 1 5 . 1 1 75 75 LYS H H 75 8.572 8.572 7.985 0.587 19811 1795 1 5 . 1 1 76 76 GLY N N 76 110.666 110.666 108.274 2.392 19811 1796 1 5 . 1 1 76 76 GLY CA C 76 45.330 45.330 44.883 0.447 19811 1797 1 5 . 1 1 76 76 GLY H H 76 8.549 8.549 8.527 0.022 19811 1798 1 5 . 1 1 77 77 GLY N N 77 108.740 108.740 107.387 1.353 19811 1799 1 5 . 1 1 77 77 GLY CA C 77 45.300 45.300 44.886 0.414 19811 1800 1 5 . 1 1 77 77 GLY H H 77 8.332 8.332 8.400 -0.068 19811 1801 1 5 . 1 1 78 78 LEU N N 78 121.371 121.371 119.926 1.445 19811 1802 1 5 . 1 1 78 78 LEU HA H 78 4.263 4.263 4.747 -0.484 19811 1803 1 5 . 1 1 78 78 LEU CA C 78 55.127 55.127 55.469 -0.342 19811 1804 1 5 . 1 1 78 78 LEU CB C 78 42.290 42.290 42.980 -0.690 19811 1805 1 5 . 1 1 78 78 LEU H H 78 8.165 8.165 8.254 -0.089 19811 1806 1 6 . 1 1 2 2 ASP N N 2 121.707 121.707 117.044 4.663 19811 1807 1 6 . 1 1 2 2 ASP HA H 2 4.798 4.798 4.980 -0.182 19811 1808 1 6 . 1 1 2 2 ASP CA C 2 54.249 54.249 54.431 -0.182 19811 1809 1 6 . 1 1 2 2 ASP CB C 2 42.163 42.163 43.340 -1.177 19811 1810 1 6 . 1 1 2 2 ASP H H 2 8.479 8.479 8.307 0.172 19811 1811 1 6 . 1 1 3 3 THR N N 3 109.876 109.876 111.882 -2.006 19811 1812 1 6 . 1 1 3 3 THR HA H 3 5.324 5.324 5.396 -0.072 19811 1813 1 6 . 1 1 3 3 THR CA C 3 59.553 59.553 60.419 -0.866 19811 1814 1 6 . 1 1 3 3 THR CB C 3 72.235 72.235 70.891 1.344 19811 1815 1 6 . 1 1 3 3 THR H H 3 7.857 7.857 7.591 0.266 19811 1816 1 6 . 1 1 4 4 ILE N N 4 115.792 115.792 116.191 -0.399 19811 1817 1 6 . 1 1 4 4 ILE HA H 4 4.464 4.464 4.662 -0.198 19811 1818 1 6 . 1 1 4 4 ILE CA C 4 59.314 59.314 59.391 -0.077 19811 1819 1 6 . 1 1 4 4 ILE CB C 4 41.940 41.940 41.678 0.262 19811 1820 1 6 . 1 1 4 4 ILE H H 4 8.665 8.665 8.299 0.366 19811 1821 1 6 . 1 1 5 5 ASN N N 5 119.913 119.913 119.967 -0.054 19811 1822 1 6 . 1 1 5 5 ASN HA H 5 5.438 5.438 5.652 -0.214 19811 1823 1 6 . 1 1 5 5 ASN CA C 5 51.594 51.594 51.743 -0.149 19811 1824 1 6 . 1 1 5 5 ASN CB C 5 41.031 41.031 40.995 0.036 19811 1825 1 6 . 1 1 5 5 ASN H H 5 8.457 8.457 8.218 0.239 19811 1826 1 6 . 1 1 6 6 ILE N N 6 122.674 122.674 126.174 -3.500 19811 1827 1 6 . 1 1 6 6 ILE HA H 6 5.035 5.035 4.369 0.666 19811 1828 1 6 . 1 1 6 6 ILE CA C 6 57.857 57.857 60.508 -2.651 19811 1829 1 6 . 1 1 6 6 ILE CB C 6 38.947 38.947 38.885 0.062 19811 1830 1 6 . 1 1 6 6 ILE H H 6 9.426 9.426 8.942 0.484 19811 1831 1 6 . 1 1 7 7 THR N N 7 124.398 124.398 123.961 0.437 19811 1832 1 6 . 1 1 7 7 THR HA H 7 4.512 4.512 4.584 -0.072 19811 1833 1 6 . 1 1 7 7 THR CA C 7 62.639 62.639 61.995 0.645 19811 1834 1 6 . 1 1 7 7 THR CB C 7 69.074 69.074 69.231 -0.157 19811 1835 1 6 . 1 1 7 7 THR H H 7 9.152 9.152 8.715 0.437 19811 1836 1 6 . 1 1 8 8 LEU N N 8 127.909 127.909 126.589 1.320 19811 1837 1 6 . 1 1 8 8 LEU HA H 8 4.601 4.601 4.695 -0.094 19811 1838 1 6 . 1 1 8 8 LEU CA C 8 53.537 53.537 52.089 1.448 19811 1839 1 6 . 1 1 8 8 LEU CB C 8 39.928 39.928 43.164 -3.236 19811 1840 1 6 . 1 1 8 8 LEU H H 8 8.992 8.992 8.122 0.870 19811 1841 1 6 . 1 1 9 9 PRO HA H 9 4.419 4.419 4.396 0.023 19811 1842 1 6 . 1 1 9 9 PRO CA C 9 65.184 65.184 64.882 0.302 19811 1843 1 6 . 1 1 9 9 PRO CB C 9 31.999 31.999 31.782 0.217 19811 1844 1 6 . 1 1 10 10 ASP N N 10 113.521 113.521 116.809 -3.288 19811 1845 1 6 . 1 1 10 10 ASP HA H 10 4.490 4.490 4.619 -0.129 19811 1846 1 6 . 1 1 10 10 ASP CA C 10 53.129 53.129 53.979 -0.850 19811 1847 1 6 . 1 1 10 10 ASP CB C 10 39.986 39.986 41.352 -1.366 19811 1848 1 6 . 1 1 10 10 ASP H H 10 7.678 7.678 8.074 -0.396 19811 1849 1 6 . 1 1 11 11 GLY N N 11 108.658 108.658 107.385 1.273 19811 1850 1 6 . 1 1 11 11 GLY CA C 11 45.218 45.218 44.949 0.269 19811 1851 1 6 . 1 1 11 11 GLY H H 11 8.376 8.376 7.629 0.747 19811 1852 1 6 . 1 1 12 12 LYS N N 12 121.449 121.449 119.539 1.910 19811 1853 1 6 . 1 1 12 12 LYS HA H 12 4.331 4.331 4.614 -0.283 19811 1854 1 6 . 1 1 12 12 LYS CA C 12 56.660 56.660 55.447 1.213 19811 1855 1 6 . 1 1 12 12 LYS CB C 12 33.199 33.199 33.343 -0.143 19811 1856 1 6 . 1 1 12 12 LYS H H 12 7.766 7.766 7.883 -0.117 19811 1857 1 6 . 1 1 13 13 THR N N 13 113.928 113.928 112.595 1.333 19811 1858 1 6 . 1 1 13 13 THR HA H 13 5.193 5.193 5.435 -0.242 19811 1859 1 6 . 1 1 13 13 THR CA C 13 61.734 61.734 60.245 1.489 19811 1860 1 6 . 1 1 13 13 THR CB C 13 71.481 71.481 71.093 0.388 19811 1861 1 6 . 1 1 13 13 THR H H 13 8.248 8.248 8.210 0.038 19811 1862 1 6 . 1 1 14 14 LEU N N 14 128.446 128.446 122.193 6.253 19811 1863 1 6 . 1 1 14 14 LEU HA H 14 4.739 4.739 4.772 -0.033 19811 1864 1 6 . 1 1 14 14 LEU CA C 14 53.403 53.403 54.035 -0.632 19811 1865 1 6 . 1 1 14 14 LEU CB C 14 45.480 45.480 45.894 -0.414 19811 1866 1 6 . 1 1 14 14 LEU H H 14 9.270 9.270 8.365 0.905 19811 1867 1 6 . 1 1 15 15 THR N N 15 123.048 123.048 118.654 4.394 19811 1868 1 6 . 1 1 15 15 THR HA H 15 5.191 5.191 5.374 -0.183 19811 1869 1 6 . 1 1 15 15 THR CA C 15 61.986 61.986 61.354 0.632 19811 1870 1 6 . 1 1 15 15 THR CB C 15 70.339 70.339 69.596 0.744 19811 1871 1 6 . 1 1 15 15 THR H H 15 8.759 8.759 8.249 0.510 19811 1872 1 6 . 1 1 16 16 LEU N N 16 125.874 125.874 128.213 -2.339 19811 1873 1 6 . 1 1 16 16 LEU HA H 16 4.770 4.770 4.860 -0.090 19811 1874 1 6 . 1 1 16 16 LEU CA C 16 53.222 53.222 53.597 -0.375 19811 1875 1 6 . 1 1 16 16 LEU CB C 16 45.322 45.322 46.087 -0.765 19811 1876 1 6 . 1 1 16 16 LEU H H 16 8.551 8.551 8.223 0.328 19811 1877 1 6 . 1 1 17 17 THR N N 17 117.080 117.080 118.532 -1.452 19811 1878 1 6 . 1 1 17 17 THR HA H 17 4.629 4.629 5.063 -0.434 19811 1879 1 6 . 1 1 17 17 THR CA C 17 61.950 61.950 61.659 0.291 19811 1880 1 6 . 1 1 17 17 THR CB C 17 69.202 69.202 68.954 0.248 19811 1881 1 6 . 1 1 17 17 THR H H 17 8.342 8.342 8.174 0.168 19811 1882 1 6 . 1 1 18 18 VAL N N 18 116.699 116.699 122.298 -5.599 19811 1883 1 6 . 1 1 18 18 VAL HA H 18 3.910 3.910 4.268 -0.358 19811 1884 1 6 . 1 1 18 18 VAL CA C 18 58.565 58.565 59.092 -0.527 19811 1885 1 6 . 1 1 18 18 VAL CB C 18 35.910 35.910 34.958 0.952 19811 1886 1 6 . 1 1 18 18 VAL H H 18 8.131 8.131 8.675 -0.544 19811 1887 1 6 . 1 1 19 19 THR N N 19 110.389 110.389 107.975 2.414 19811 1888 1 6 . 1 1 19 19 THR HA H 19 4.807 4.807 4.919 -0.112 19811 1889 1 6 . 1 1 19 19 THR CA C 19 58.916 58.916 58.785 0.131 19811 1890 1 6 . 1 1 19 19 THR CB C 19 68.674 68.674 69.785 -1.111 19811 1891 1 6 . 1 1 19 19 THR H H 19 6.219 6.219 7.750 -1.531 19811 1892 1 6 . 1 1 20 20 PRO HA H 20 4.382 4.382 4.416 -0.034 19811 1893 1 6 . 1 1 20 20 PRO CA C 20 65.110 65.110 64.435 0.675 19811 1894 1 6 . 1 1 20 20 PRO CB C 20 31.996 31.996 32.153 -0.157 19811 1895 1 6 . 1 1 21 21 GLU N N 21 113.087 113.087 115.367 -2.280 19811 1896 1 6 . 1 1 21 21 GLU HA H 21 4.350 4.350 4.308 0.042 19811 1897 1 6 . 1 1 21 21 GLU CA C 21 56.513 56.513 55.915 0.598 19811 1898 1 6 . 1 1 21 21 GLU CB C 21 29.153 29.153 29.726 -0.573 19811 1899 1 6 . 1 1 21 21 GLU H H 21 7.960 7.960 8.297 -0.337 19811 1900 1 6 . 1 1 22 22 PHE N N 22 123.828 123.828 119.712 4.116 19811 1901 1 6 . 1 1 22 22 PHE HA H 22 4.518 4.518 4.769 -0.251 19811 1902 1 6 . 1 1 22 22 PHE CA C 22 58.778 58.778 58.347 0.431 19811 1903 1 6 . 1 1 22 22 PHE CB C 22 40.224 40.224 40.526 -0.302 19811 1904 1 6 . 1 1 22 22 PHE H H 22 7.724 7.724 7.660 0.064 19811 1905 1 6 . 1 1 23 23 THR N N 23 114.031 114.031 112.672 1.359 19811 1906 1 6 . 1 1 23 23 THR HA H 23 4.791 4.791 4.496 0.295 19811 1907 1 6 . 1 1 23 23 THR CA C 23 60.340 60.340 60.228 0.112 19811 1908 1 6 . 1 1 23 23 THR CB C 23 71.791 71.791 71.228 0.563 19811 1909 1 6 . 1 1 23 23 THR H H 23 8.504 8.504 7.841 0.663 19811 1910 1 6 . 1 1 24 24 VAL N N 24 122.541 122.541 120.398 2.143 19811 1911 1 6 . 1 1 24 24 VAL HA H 24 3.427 3.427 3.788 -0.361 19811 1912 1 6 . 1 1 24 24 VAL CA C 24 66.745 66.745 66.314 0.431 19811 1913 1 6 . 1 1 24 24 VAL CB C 24 30.735 30.735 30.813 -0.078 19811 1914 1 6 . 1 1 24 24 VAL H H 24 8.918 8.918 8.435 0.483 19811 1915 1 6 . 1 1 25 25 LYS N N 25 121.079 121.079 119.544 1.535 19811 1916 1 6 . 1 1 25 25 LYS HA H 25 3.912 3.912 4.037 -0.125 19811 1917 1 6 . 1 1 25 25 LYS CA C 25 59.950 59.950 59.701 0.249 19811 1918 1 6 . 1 1 25 25 LYS CB C 25 32.824 32.824 32.117 0.707 19811 1919 1 6 . 1 1 25 25 LYS H H 25 8.622 8.622 8.209 0.413 19811 1920 1 6 . 1 1 26 26 GLU N N 26 118.646 118.646 120.814 -2.168 19811 1921 1 6 . 1 1 26 26 GLU HA H 26 3.859 3.859 4.358 -0.499 19811 1922 1 6 . 1 1 26 26 GLU CA C 26 59.012 59.012 59.121 -0.109 19811 1923 1 6 . 1 1 26 26 GLU CB C 26 29.344 29.344 29.577 -0.233 19811 1924 1 6 . 1 1 26 26 GLU H H 26 7.734 7.734 7.522 0.212 19811 1925 1 6 . 1 1 27 27 LEU N N 27 122.155 122.155 120.340 1.815 19811 1926 1 6 . 1 1 27 27 LEU HA H 27 4.136 4.136 4.231 -0.095 19811 1927 1 6 . 1 1 27 27 LEU CA C 27 58.226 58.226 58.114 0.112 19811 1928 1 6 . 1 1 27 27 LEU CB C 27 41.986 41.986 42.189 -0.203 19811 1929 1 6 . 1 1 27 27 LEU H H 27 8.000 8.000 8.388 -0.388 19811 1930 1 6 . 1 1 28 28 ALA N N 28 121.362 121.362 119.973 1.389 19811 1931 1 6 . 1 1 28 28 ALA HA H 28 3.837 3.837 4.091 -0.254 19811 1932 1 6 . 1 1 28 28 ALA CA C 28 55.872 55.872 55.009 0.863 19811 1933 1 6 . 1 1 28 28 ALA CB C 28 17.902 17.902 18.289 -0.387 19811 1934 1 6 . 1 1 28 28 ALA H H 28 8.899 8.899 7.814 1.085 19811 1935 1 6 . 1 1 29 29 GLU N N 29 116.582 116.582 117.877 -1.295 19811 1936 1 6 . 1 1 29 29 GLU HA H 29 3.814 3.814 4.074 -0.260 19811 1937 1 6 . 1 1 29 29 GLU CA C 29 59.849 59.849 58.739 1.110 19811 1938 1 6 . 1 1 29 29 GLU CB C 29 29.185 29.185 29.245 -0.060 19811 1939 1 6 . 1 1 29 29 GLU H H 29 8.437 8.437 7.979 0.458 19811 1940 1 6 . 1 1 30 30 GLU N N 30 121.430 121.430 120.227 1.203 19811 1941 1 6 . 1 1 30 30 GLU HA H 30 4.293 4.293 4.214 0.079 19811 1942 1 6 . 1 1 30 30 GLU CA C 30 58.829 58.829 59.160 -0.332 19811 1943 1 6 . 1 1 30 30 GLU CB C 30 28.720 28.720 29.661 -0.941 19811 1944 1 6 . 1 1 30 30 GLU H H 30 7.877 7.877 7.893 -0.016 19811 1945 1 6 . 1 1 31 31 ILE N N 31 119.644 119.644 120.203 -0.559 19811 1946 1 6 . 1 1 31 31 ILE HA H 31 3.289 3.289 3.883 -0.594 19811 1947 1 6 . 1 1 31 31 ILE CA C 31 65.937 65.937 63.159 2.778 19811 1948 1 6 . 1 1 31 31 ILE CB C 31 38.338 38.338 38.112 0.226 19811 1949 1 6 . 1 1 31 31 ILE H H 31 8.438 8.438 7.506 0.932 19811 1950 1 6 . 1 1 32 32 ALA N N 32 120.190 120.190 121.562 -1.372 19811 1951 1 6 . 1 1 32 32 ALA HA H 32 3.637 3.637 4.163 -0.526 19811 1952 1 6 . 1 1 32 32 ALA CA C 32 56.071 56.071 54.719 1.352 19811 1953 1 6 . 1 1 32 32 ALA CB C 32 17.287 17.287 18.222 -0.935 19811 1954 1 6 . 1 1 32 32 ALA H H 32 8.609 8.609 7.832 0.777 19811 1955 1 6 . 1 1 33 33 ARG N N 33 116.846 116.846 118.046 -1.200 19811 1956 1 6 . 1 1 33 33 ARG HA H 33 4.085 4.085 4.092 -0.007 19811 1957 1 6 . 1 1 33 33 ARG CA C 33 59.367 59.367 58.869 0.498 19811 1958 1 6 . 1 1 33 33 ARG CB C 33 30.575 30.575 30.309 0.266 19811 1959 1 6 . 1 1 33 33 ARG H H 33 7.817 7.817 7.674 0.143 19811 1960 1 6 . 1 1 34 34 ARG N N 34 118.212 118.212 117.817 0.395 19811 1961 1 6 . 1 1 34 34 ARG HA H 34 4.078 4.078 4.228 -0.150 19811 1962 1 6 . 1 1 34 34 ARG CA C 34 58.321 58.321 58.317 0.004 19811 1963 1 6 . 1 1 34 34 ARG CB C 34 29.771 29.771 30.200 -0.429 19811 1964 1 6 . 1 1 34 34 ARG H H 34 7.922 7.922 7.779 0.143 19811 1965 1 6 . 1 1 35 35 LEU N N 35 115.523 115.523 118.251 -2.728 19811 1966 1 6 . 1 1 35 35 LEU HA H 35 4.426 4.426 4.473 -0.047 19811 1967 1 6 . 1 1 35 35 LEU CA C 35 54.601 54.601 55.266 -0.665 19811 1968 1 6 . 1 1 35 35 LEU CB C 35 42.895 42.895 42.838 0.057 19811 1969 1 6 . 1 1 35 35 LEU H H 35 7.999 7.999 7.557 0.442 19811 1970 1 6 . 1 1 36 36 GLY N N 36 110.277 110.277 107.529 2.748 19811 1971 1 6 . 1 1 36 36 GLY CA C 36 46.906 46.906 45.334 1.572 19811 1972 1 6 . 1 1 36 36 GLY H H 36 7.864 7.864 7.957 -0.093 19811 1973 1 6 . 1 1 37 37 LEU N N 37 119.310 119.310 119.228 0.082 19811 1974 1 6 . 1 1 37 37 LEU HA H 37 4.691 4.691 4.780 -0.089 19811 1975 1 6 . 1 1 37 37 LEU CA C 37 52.642 52.642 53.060 -0.418 19811 1976 1 6 . 1 1 37 37 LEU CB C 37 45.355 45.355 45.172 0.183 19811 1977 1 6 . 1 1 37 37 LEU H H 37 8.025 8.025 8.027 -0.002 19811 1978 1 6 . 1 1 38 38 SER N N 38 115.906 115.906 116.101 -0.195 19811 1979 1 6 . 1 1 38 38 SER HA H 38 4.955 4.955 4.891 0.064 19811 1980 1 6 . 1 1 38 38 SER CA C 38 55.376 55.376 55.722 -0.346 19811 1981 1 6 . 1 1 38 38 SER CB C 38 63.732 63.732 63.578 0.154 19811 1982 1 6 . 1 1 38 38 SER H H 38 8.662 8.662 8.336 0.326 19811 1983 1 6 . 1 1 39 39 PRO HA H 39 3.976 3.976 4.280 -0.304 19811 1984 1 6 . 1 1 39 39 PRO CA C 39 65.434 65.434 64.479 0.955 19811 1985 1 6 . 1 1 39 39 PRO CB C 39 31.527 31.527 31.989 -0.462 19811 1986 1 6 . 1 1 40 40 GLU N N 40 115.609 115.609 113.243 2.366 19811 1987 1 6 . 1 1 40 40 GLU HA H 40 4.115 4.115 4.144 -0.029 19811 1988 1 6 . 1 1 40 40 GLU CA C 40 57.861 57.861 57.734 0.127 19811 1989 1 6 . 1 1 40 40 GLU CB C 40 28.842 28.842 28.869 -0.027 19811 1990 1 6 . 1 1 40 40 GLU H H 40 8.455 8.455 8.330 0.125 19811 1991 1 6 . 1 1 41 41 ASP N N 41 118.239 118.239 118.667 -0.428 19811 1992 1 6 . 1 1 41 41 ASP HA H 41 4.711 4.711 4.794 -0.083 19811 1993 1 6 . 1 1 41 41 ASP CA C 41 54.862 54.862 56.071 -1.209 19811 1994 1 6 . 1 1 41 41 ASP CB C 41 41.920 41.920 43.134 -1.214 19811 1995 1 6 . 1 1 41 41 ASP H H 41 7.814 7.814 7.683 0.131 19811 1996 1 6 . 1 1 42 42 ILE N N 42 116.579 116.579 120.319 -3.740 19811 1997 1 6 . 1 1 42 42 ILE HA H 42 4.305 4.305 4.317 -0.012 19811 1998 1 6 . 1 1 42 42 ILE CA C 42 60.232 60.232 61.368 -1.136 19811 1999 1 6 . 1 1 42 42 ILE CB C 42 39.070 39.070 37.445 1.625 19811 2000 1 6 . 1 1 42 42 ILE H H 42 7.069 7.069 7.334 -0.265 19811 2001 1 6 . 1 1 43 43 LYS N N 43 128.374 128.374 128.314 0.060 19811 2002 1 6 . 1 1 43 43 LYS HA H 43 4.489 4.489 4.616 -0.127 19811 2003 1 6 . 1 1 43 43 LYS CA C 43 54.924 54.924 54.895 0.029 19811 2004 1 6 . 1 1 43 43 LYS CB C 43 35.322 35.322 35.706 -0.384 19811 2005 1 6 . 1 1 43 43 LYS H H 43 8.709 8.709 8.683 0.026 19811 2006 1 6 . 1 1 44 44 LEU N N 44 126.700 126.700 126.276 0.424 19811 2007 1 6 . 1 1 44 44 LEU HA H 44 5.368 5.368 4.486 0.882 19811 2008 1 6 . 1 1 44 44 LEU CA C 44 52.839 52.839 54.824 -1.985 19811 2009 1 6 . 1 1 44 44 LEU CB C 44 44.529 44.529 42.813 1.716 19811 2010 1 6 . 1 1 44 44 LEU H H 44 8.929 8.929 8.937 -0.008 19811 2011 1 6 . 1 1 45 45 THR N N 45 112.945 112.945 119.559 -6.614 19811 2012 1 6 . 1 1 45 45 THR HA H 45 5.282 5.282 4.996 0.286 19811 2013 1 6 . 1 1 45 45 THR CA C 45 59.240 59.240 61.173 -1.933 19811 2014 1 6 . 1 1 45 45 THR CB C 45 72.146 72.146 70.302 1.844 19811 2015 1 6 . 1 1 45 45 THR H H 45 8.846 8.846 7.995 0.851 19811 2016 1 6 . 1 1 46 46 HIS N N 46 120.347 120.347 124.509 -4.162 19811 2017 1 6 . 1 1 46 46 HIS HA H 46 4.956 4.956 4.859 0.097 19811 2018 1 6 . 1 1 46 46 HIS CA C 46 55.757 55.757 55.596 0.161 19811 2019 1 6 . 1 1 46 46 HIS CB C 46 34.673 34.673 32.677 1.996 19811 2020 1 6 . 1 1 46 46 HIS H H 46 8.620 8.620 9.089 -0.469 19811 2021 1 6 . 1 1 47 47 ASN N N 47 128.187 128.187 122.713 5.474 19811 2022 1 6 . 1 1 47 47 ASN HA H 47 4.178 4.178 4.373 -0.195 19811 2023 1 6 . 1 1 47 47 ASN CA C 47 53.481 53.481 53.950 -0.470 19811 2024 1 6 . 1 1 47 47 ASN CB C 47 36.888 36.888 37.973 -1.085 19811 2025 1 6 . 1 1 47 47 ASN H H 47 9.136 9.136 9.365 -0.229 19811 2026 1 6 . 1 1 48 48 GLY N N 48 103.028 103.028 102.552 0.476 19811 2027 1 6 . 1 1 48 48 GLY CA C 48 45.279 45.279 44.914 0.365 19811 2028 1 6 . 1 1 48 48 GLY H H 48 8.633 8.633 8.449 0.184 19811 2029 1 6 . 1 1 49 49 LYS N N 49 121.730 121.730 122.469 -0.739 19811 2030 1 6 . 1 1 49 49 LYS HA H 49 4.572 4.572 4.669 -0.097 19811 2031 1 6 . 1 1 49 49 LYS CA C 49 54.677 54.677 55.266 -0.589 19811 2032 1 6 . 1 1 49 49 LYS CB C 49 33.823 33.823 34.077 -0.254 19811 2033 1 6 . 1 1 49 49 LYS H H 49 7.790 7.790 7.763 0.027 19811 2034 1 6 . 1 1 50 50 THR N N 50 121.190 121.190 113.846 7.344 19811 2035 1 6 . 1 1 50 50 THR HA H 50 4.254 4.254 5.088 -0.834 19811 2036 1 6 . 1 1 50 50 THR CA C 50 63.304 63.304 60.746 2.558 19811 2037 1 6 . 1 1 50 50 THR CB C 50 68.732 68.732 70.320 -1.588 19811 2038 1 6 . 1 1 50 50 THR H H 50 8.735 8.735 8.372 0.363 19811 2039 1 6 . 1 1 51 51 LEU N N 51 127.406 127.406 122.867 4.539 19811 2040 1 6 . 1 1 51 51 LEU HA H 51 3.973 3.973 4.193 -0.220 19811 2041 1 6 . 1 1 51 51 LEU CA C 51 54.125 54.125 54.137 -0.012 19811 2042 1 6 . 1 1 51 51 LEU CB C 51 41.715 41.715 43.951 -2.236 19811 2043 1 6 . 1 1 51 51 LEU H H 51 8.586 8.586 8.145 0.441 19811 2044 1 6 . 1 1 52 52 ASP N N 52 126.711 126.711 124.622 2.089 19811 2045 1 6 . 1 1 52 52 ASP HA H 52 4.840 4.840 4.924 -0.084 19811 2046 1 6 . 1 1 52 52 ASP CA C 52 51.377 51.377 51.643 -0.266 19811 2047 1 6 . 1 1 52 52 ASP CB C 52 43.019 43.019 43.134 -0.115 19811 2048 1 6 . 1 1 52 52 ASP H H 52 8.974 8.974 8.031 0.943 19811 2049 1 6 . 1 1 53 53 PRO HA H 53 4.095 4.095 4.323 -0.228 19811 2050 1 6 . 1 1 53 53 PRO CA C 53 64.240 64.240 64.602 -0.362 19811 2051 1 6 . 1 1 53 53 PRO CB C 53 33.077 33.077 32.146 0.931 19811 2052 1 6 . 1 1 54 54 SER N N 54 110.024 110.024 113.320 -3.296 19811 2053 1 6 . 1 1 54 54 SER HA H 54 4.330 4.330 4.329 0.001 19811 2054 1 6 . 1 1 54 54 SER CA C 54 59.971 59.971 60.030 -0.059 19811 2055 1 6 . 1 1 54 54 SER CB C 54 63.881 63.881 63.501 0.380 19811 2056 1 6 . 1 1 54 54 SER H H 54 8.643 8.643 7.915 0.728 19811 2057 1 6 . 1 1 55 55 LEU N N 55 123.514 123.514 120.854 2.660 19811 2058 1 6 . 1 1 55 55 LEU HA H 55 4.645 4.645 4.560 0.085 19811 2059 1 6 . 1 1 55 55 LEU CA C 55 50.579 50.579 54.392 -3.813 19811 2060 1 6 . 1 1 55 55 LEU CB C 55 43.928 43.928 42.957 0.971 19811 2061 1 6 . 1 1 55 55 LEU H H 55 7.722 7.722 7.377 0.345 19811 2062 1 6 . 1 1 56 56 THR N N 56 107.845 107.845 109.590 -1.745 19811 2063 1 6 . 1 1 56 56 THR HA H 56 4.921 4.921 4.606 0.315 19811 2064 1 6 . 1 1 56 56 THR CA C 56 60.266 60.266 60.678 -0.412 19811 2065 1 6 . 1 1 56 56 THR CB C 56 71.553 71.553 70.725 0.828 19811 2066 1 6 . 1 1 56 56 THR H H 56 8.335 8.335 7.995 0.340 19811 2067 1 6 . 1 1 57 57 LEU N N 57 118.354 118.354 120.397 -2.043 19811 2068 1 6 . 1 1 57 57 LEU HA H 57 3.992 3.992 4.566 -0.574 19811 2069 1 6 . 1 1 57 57 LEU CA C 57 58.658 58.658 57.180 1.478 19811 2070 1 6 . 1 1 57 57 LEU CB C 57 39.774 39.774 42.360 -2.586 19811 2071 1 6 . 1 1 57 57 LEU H H 57 8.117 8.117 8.821 -0.704 19811 2072 1 6 . 1 1 58 58 ALA N N 58 120.467 120.467 119.714 0.753 19811 2073 1 6 . 1 1 58 58 ALA HA H 58 4.075 4.075 4.210 -0.135 19811 2074 1 6 . 1 1 58 58 ALA CA C 58 55.047 55.047 53.681 1.366 19811 2075 1 6 . 1 1 58 58 ALA CB C 58 18.267 18.267 18.498 -0.231 19811 2076 1 6 . 1 1 58 58 ALA H H 58 8.730 8.730 8.358 0.372 19811 2077 1 6 . 1 1 59 59 GLU N N 59 119.907 119.907 117.564 2.343 19811 2078 1 6 . 1 1 59 59 GLU HA H 59 3.935 3.935 4.163 -0.228 19811 2079 1 6 . 1 1 59 59 GLU CA C 59 58.914 58.914 57.536 1.377 19811 2080 1 6 . 1 1 59 59 GLU CB C 59 29.623 29.623 29.749 -0.126 19811 2081 1 6 . 1 1 59 59 GLU H H 59 7.890 7.890 8.410 -0.520 19811 2082 1 6 . 1 1 60 60 TYR N N 60 116.582 116.582 118.418 -1.836 19811 2083 1 6 . 1 1 60 60 TYR HA H 60 4.554 4.554 4.475 0.079 19811 2084 1 6 . 1 1 60 60 TYR CA C 60 59.463 59.463 58.793 0.670 19811 2085 1 6 . 1 1 60 60 TYR CB C 60 40.288 40.288 39.352 0.936 19811 2086 1 6 . 1 1 60 60 TYR H H 60 7.448 7.448 7.602 -0.154 19811 2087 1 6 . 1 1 61 61 GLY N N 61 109.141 109.141 108.160 0.981 19811 2088 1 6 . 1 1 61 61 GLY CA C 61 46.380 46.380 45.050 1.330 19811 2089 1 6 . 1 1 61 61 GLY H H 61 8.067 8.067 7.965 0.102 19811 2090 1 6 . 1 1 62 62 ILE N N 62 120.506 120.506 120.736 -0.230 19811 2091 1 6 . 1 1 62 62 ILE HA H 62 3.614 3.614 4.465 -0.851 19811 2092 1 6 . 1 1 62 62 ILE CA C 62 61.392 61.392 60.233 1.159 19811 2093 1 6 . 1 1 62 62 ILE CB C 62 36.445 36.445 39.448 -3.003 19811 2094 1 6 . 1 1 62 62 ILE H H 62 7.416 7.416 7.530 -0.114 19811 2095 1 6 . 1 1 63 63 THR N N 63 117.984 117.984 117.320 0.664 19811 2096 1 6 . 1 1 63 63 THR HA H 63 4.528 4.528 4.886 -0.358 19811 2097 1 6 . 1 1 63 63 THR CA C 63 58.942 58.942 59.287 -0.345 19811 2098 1 6 . 1 1 63 63 THR CB C 63 68.304 68.304 69.564 -1.260 19811 2099 1 6 . 1 1 63 63 THR H H 63 7.408 7.408 8.182 -0.774 19811 2100 1 6 . 1 1 64 64 PRO HA H 64 4.237 4.237 4.448 -0.211 19811 2101 1 6 . 1 1 64 64 PRO CA C 64 64.568 64.568 63.291 1.277 19811 2102 1 6 . 1 1 64 64 PRO CB C 64 31.861 31.861 31.895 -0.034 19811 2103 1 6 . 1 1 65 65 GLY N N 65 112.539 112.539 108.920 3.619 19811 2104 1 6 . 1 1 65 65 GLY CA C 65 44.719 44.719 44.930 -0.211 19811 2105 1 6 . 1 1 65 65 GLY H H 65 9.286 9.286 8.515 0.771 19811 2106 1 6 . 1 1 66 66 SER N N 66 116.523 116.523 116.821 -0.298 19811 2107 1 6 . 1 1 66 66 SER HA H 66 4.535 4.535 4.868 -0.333 19811 2108 1 6 . 1 1 66 66 SER CA C 66 60.415 60.415 57.401 3.014 19811 2109 1 6 . 1 1 66 66 SER CB C 66 64.604 64.604 64.270 0.334 19811 2110 1 6 . 1 1 66 66 SER H H 66 7.822 7.822 7.802 0.020 19811 2111 1 6 . 1 1 67 67 THR N N 67 118.238 118.238 112.544 5.694 19811 2112 1 6 . 1 1 67 67 THR HA H 67 5.342 5.342 4.492 0.850 19811 2113 1 6 . 1 1 67 67 THR CA C 67 62.059 62.059 61.347 0.711 19811 2114 1 6 . 1 1 67 67 THR CB C 67 70.858 70.858 69.621 1.238 19811 2115 1 6 . 1 1 67 67 THR H H 67 8.715 8.715 8.076 0.639 19811 2116 1 6 . 1 1 68 68 ILE N N 68 126.891 126.891 127.309 -0.418 19811 2117 1 6 . 1 1 68 68 ILE HA H 68 4.761 4.761 4.227 0.534 19811 2118 1 6 . 1 1 68 68 ILE CA C 68 59.434 59.434 60.541 -1.107 19811 2119 1 6 . 1 1 68 68 ILE CB C 68 40.783 40.783 41.013 -0.230 19811 2120 1 6 . 1 1 68 68 ILE H H 68 9.097 9.097 8.197 0.900 19811 2121 1 6 . 1 1 69 69 THR N N 69 120.333 120.333 122.018 -1.685 19811 2122 1 6 . 1 1 69 69 THR HA H 69 4.566 4.566 4.750 -0.184 19811 2123 1 6 . 1 1 69 69 THR CA C 69 63.014 63.014 61.419 1.595 19811 2124 1 6 . 1 1 69 69 THR CB C 69 70.043 70.043 69.604 0.439 19811 2125 1 6 . 1 1 69 69 THR H H 69 8.903 8.903 8.186 0.717 19811 2126 1 6 . 1 1 70 70 LEU N N 70 126.490 126.490 124.334 2.156 19811 2127 1 6 . 1 1 70 70 LEU HA H 70 4.984 4.984 5.223 -0.239 19811 2128 1 6 . 1 1 70 70 LEU CA C 70 54.088 54.088 53.360 0.728 19811 2129 1 6 . 1 1 70 70 LEU CB C 70 44.772 44.772 43.602 1.170 19811 2130 1 6 . 1 1 70 70 LEU H H 70 8.191 8.191 7.792 0.399 19811 2131 1 6 . 1 1 71 71 GLU N N 71 125.912 125.912 120.590 5.322 19811 2132 1 6 . 1 1 71 71 GLU HA H 71 4.505 4.505 4.689 -0.184 19811 2133 1 6 . 1 1 71 71 GLU CA C 71 54.828 54.828 55.503 -0.675 19811 2134 1 6 . 1 1 71 71 GLU CB C 71 33.391 33.391 33.168 0.223 19811 2135 1 6 . 1 1 71 71 GLU H H 71 9.089 9.089 8.455 0.634 19811 2136 1 6 . 1 1 72 72 ILE N N 72 123.229 123.229 124.399 -1.170 19811 2137 1 6 . 1 1 72 72 ILE HA H 72 4.570 4.570 4.908 -0.338 19811 2138 1 6 . 1 1 72 72 ILE CA C 72 59.629 59.629 60.185 -0.556 19811 2139 1 6 . 1 1 72 72 ILE CB C 72 38.376 38.376 39.718 -1.343 19811 2140 1 6 . 1 1 72 72 ILE H H 72 8.526 8.526 8.543 -0.017 19811 2141 1 6 . 1 1 73 73 LYS N N 73 129.392 129.392 127.629 1.763 19811 2142 1 6 . 1 1 73 73 LYS HA H 73 4.178 4.178 4.648 -0.470 19811 2143 1 6 . 1 1 73 73 LYS CA C 73 56.564 56.564 55.734 0.830 19811 2144 1 6 . 1 1 73 73 LYS CB C 73 33.320 33.320 34.134 -0.814 19811 2145 1 6 . 1 1 73 73 LYS H H 73 8.837 8.837 8.177 0.660 19811 2146 1 6 . 1 1 74 74 LYS N N 74 123.476 123.476 120.582 2.894 19811 2147 1 6 . 1 1 74 74 LYS HA H 74 4.255 4.255 4.463 -0.208 19811 2148 1 6 . 1 1 74 74 LYS CA C 74 56.000 56.000 56.233 -0.233 19811 2149 1 6 . 1 1 74 74 LYS CB C 74 33.223 33.223 34.103 -0.880 19811 2150 1 6 . 1 1 74 74 LYS H H 74 8.266 8.266 8.412 -0.146 19811 2151 1 6 . 1 1 75 75 LYS N N 75 124.450 124.450 121.489 2.961 19811 2152 1 6 . 1 1 75 75 LYS HA H 75 4.245 4.245 4.381 -0.136 19811 2153 1 6 . 1 1 75 75 LYS CA C 75 56.677 56.677 56.276 0.401 19811 2154 1 6 . 1 1 75 75 LYS CB C 75 32.876 32.876 32.545 0.331 19811 2155 1 6 . 1 1 75 75 LYS H H 75 8.572 8.572 8.119 0.453 19811 2156 1 6 . 1 1 76 76 GLY N N 76 110.666 110.666 109.950 0.716 19811 2157 1 6 . 1 1 76 76 GLY CA C 76 45.330 45.330 45.545 -0.215 19811 2158 1 6 . 1 1 76 76 GLY H H 76 8.549 8.549 8.461 0.088 19811 2159 1 6 . 1 1 77 77 GLY N N 77 108.740 108.740 109.146 -0.406 19811 2160 1 6 . 1 1 77 77 GLY CA C 77 45.300 45.300 45.139 0.161 19811 2161 1 6 . 1 1 77 77 GLY H H 77 8.332 8.332 7.891 0.441 19811 2162 1 6 . 1 1 78 78 LEU N N 78 121.371 121.371 123.114 -1.743 19811 2163 1 6 . 1 1 78 78 LEU HA H 78 4.263 4.263 4.808 -0.545 19811 2164 1 6 . 1 1 78 78 LEU CA C 78 55.127 55.127 54.603 0.524 19811 2165 1 6 . 1 1 78 78 LEU CB C 78 42.290 42.290 43.702 -1.412 19811 2166 1 6 . 1 1 78 78 LEU H H 78 8.165 8.165 8.268 -0.103 19811 2167 1 7 . 1 1 2 2 ASP N N 2 121.707 121.707 116.688 5.019 19811 2168 1 7 . 1 1 2 2 ASP HA H 2 4.798 4.798 4.885 -0.087 19811 2169 1 7 . 1 1 2 2 ASP CA C 2 54.249 54.249 54.389 -0.140 19811 2170 1 7 . 1 1 2 2 ASP CB C 2 42.163 42.163 43.330 -1.167 19811 2171 1 7 . 1 1 2 2 ASP H H 2 8.479 8.479 8.245 0.234 19811 2172 1 7 . 1 1 3 3 THR N N 3 109.876 109.876 112.988 -3.112 19811 2173 1 7 . 1 1 3 3 THR HA H 3 5.324 5.324 5.269 0.055 19811 2174 1 7 . 1 1 3 3 THR CA C 3 59.553 59.553 60.779 -1.226 19811 2175 1 7 . 1 1 3 3 THR CB C 3 72.235 72.235 70.724 1.511 19811 2176 1 7 . 1 1 3 3 THR H H 3 7.857 7.857 7.613 0.244 19811 2177 1 7 . 1 1 4 4 ILE N N 4 115.792 115.792 116.109 -0.317 19811 2178 1 7 . 1 1 4 4 ILE HA H 4 4.464 4.464 4.541 -0.077 19811 2179 1 7 . 1 1 4 4 ILE CA C 4 59.314 59.314 59.463 -0.149 19811 2180 1 7 . 1 1 4 4 ILE CB C 4 41.940 41.940 41.126 0.814 19811 2181 1 7 . 1 1 4 4 ILE H H 4 8.665 8.665 8.849 -0.184 19811 2182 1 7 . 1 1 5 5 ASN N N 5 119.913 119.913 119.558 0.355 19811 2183 1 7 . 1 1 5 5 ASN HA H 5 5.438 5.438 5.649 -0.211 19811 2184 1 7 . 1 1 5 5 ASN CA C 5 51.594 51.594 51.569 0.025 19811 2185 1 7 . 1 1 5 5 ASN CB C 5 41.031 41.031 41.185 -0.154 19811 2186 1 7 . 1 1 5 5 ASN H H 5 8.457 8.457 8.078 0.379 19811 2187 1 7 . 1 1 6 6 ILE N N 6 122.674 122.674 122.287 0.387 19811 2188 1 7 . 1 1 6 6 ILE HA H 6 5.035 5.035 4.553 0.482 19811 2189 1 7 . 1 1 6 6 ILE CA C 6 57.857 57.857 59.189 -1.332 19811 2190 1 7 . 1 1 6 6 ILE CB C 6 38.947 38.947 38.655 0.292 19811 2191 1 7 . 1 1 6 6 ILE H H 6 9.426 9.426 8.534 0.892 19811 2192 1 7 . 1 1 7 7 THR N N 7 124.398 124.398 123.780 0.618 19811 2193 1 7 . 1 1 7 7 THR HA H 7 4.512 4.512 4.667 -0.155 19811 2194 1 7 . 1 1 7 7 THR CA C 7 62.639 62.639 61.673 0.966 19811 2195 1 7 . 1 1 7 7 THR CB C 7 69.074 69.074 68.959 0.115 19811 2196 1 7 . 1 1 7 7 THR H H 7 9.152 9.152 9.054 0.098 19811 2197 1 7 . 1 1 8 8 LEU N N 8 127.909 127.909 127.112 0.797 19811 2198 1 7 . 1 1 8 8 LEU HA H 8 4.601 4.601 4.712 -0.111 19811 2199 1 7 . 1 1 8 8 LEU CA C 8 53.537 53.537 52.137 1.400 19811 2200 1 7 . 1 1 8 8 LEU CB C 8 39.928 39.928 43.160 -3.232 19811 2201 1 7 . 1 1 8 8 LEU H H 8 8.992 8.992 7.941 1.051 19811 2202 1 7 . 1 1 9 9 PRO HA H 9 4.419 4.419 4.408 0.011 19811 2203 1 7 . 1 1 9 9 PRO CA C 9 65.184 65.184 64.652 0.532 19811 2204 1 7 . 1 1 9 9 PRO CB C 9 31.999 31.999 31.751 0.248 19811 2205 1 7 . 1 1 10 10 ASP N N 10 113.521 113.521 117.333 -3.812 19811 2206 1 7 . 1 1 10 10 ASP HA H 10 4.490 4.490 4.648 -0.158 19811 2207 1 7 . 1 1 10 10 ASP CA C 10 53.129 53.129 54.490 -1.361 19811 2208 1 7 . 1 1 10 10 ASP CB C 10 39.986 39.986 41.045 -1.059 19811 2209 1 7 . 1 1 10 10 ASP H H 10 7.678 7.678 8.176 -0.498 19811 2210 1 7 . 1 1 11 11 GLY N N 11 108.658 108.658 106.916 1.742 19811 2211 1 7 . 1 1 11 11 GLY CA C 11 45.218 45.218 44.921 0.297 19811 2212 1 7 . 1 1 11 11 GLY H H 11 8.376 8.376 7.780 0.596 19811 2213 1 7 . 1 1 12 12 LYS N N 12 121.449 121.449 119.398 2.051 19811 2214 1 7 . 1 1 12 12 LYS HA H 12 4.331 4.331 4.662 -0.331 19811 2215 1 7 . 1 1 12 12 LYS CA C 12 56.660 56.660 55.272 1.388 19811 2216 1 7 . 1 1 12 12 LYS CB C 12 33.199 33.199 33.669 -0.470 19811 2217 1 7 . 1 1 12 12 LYS H H 12 7.766 7.766 7.779 -0.013 19811 2218 1 7 . 1 1 13 13 THR N N 13 113.928 113.928 112.990 0.938 19811 2219 1 7 . 1 1 13 13 THR HA H 13 5.193 5.193 5.628 -0.435 19811 2220 1 7 . 1 1 13 13 THR CA C 13 61.734 61.734 60.227 1.507 19811 2221 1 7 . 1 1 13 13 THR CB C 13 71.481 71.481 70.969 0.512 19811 2222 1 7 . 1 1 13 13 THR H H 13 8.248 8.248 8.229 0.019 19811 2223 1 7 . 1 1 14 14 LEU N N 14 128.446 128.446 123.323 5.123 19811 2224 1 7 . 1 1 14 14 LEU HA H 14 4.739 4.739 4.746 -0.007 19811 2225 1 7 . 1 1 14 14 LEU CA C 14 53.403 53.403 54.003 -0.600 19811 2226 1 7 . 1 1 14 14 LEU CB C 14 45.480 45.480 45.891 -0.411 19811 2227 1 7 . 1 1 14 14 LEU H H 14 9.270 9.270 8.342 0.928 19811 2228 1 7 . 1 1 15 15 THR N N 15 123.048 123.048 118.477 4.571 19811 2229 1 7 . 1 1 15 15 THR HA H 15 5.191 5.191 5.269 -0.078 19811 2230 1 7 . 1 1 15 15 THR CA C 15 61.986 61.986 60.732 1.254 19811 2231 1 7 . 1 1 15 15 THR CB C 15 70.339 70.339 69.488 0.851 19811 2232 1 7 . 1 1 15 15 THR H H 15 8.759 8.759 8.285 0.474 19811 2233 1 7 . 1 1 16 16 LEU N N 16 125.874 125.874 126.778 -0.904 19811 2234 1 7 . 1 1 16 16 LEU HA H 16 4.770 4.770 4.870 -0.100 19811 2235 1 7 . 1 1 16 16 LEU CA C 16 53.222 53.222 53.241 -0.019 19811 2236 1 7 . 1 1 16 16 LEU CB C 16 45.322 45.322 46.630 -1.308 19811 2237 1 7 . 1 1 16 16 LEU H H 16 8.551 8.551 8.578 -0.027 19811 2238 1 7 . 1 1 17 17 THR N N 17 117.080 117.080 117.270 -0.190 19811 2239 1 7 . 1 1 17 17 THR HA H 17 4.629 4.629 4.824 -0.195 19811 2240 1 7 . 1 1 17 17 THR CA C 17 61.950 61.950 61.423 0.527 19811 2241 1 7 . 1 1 17 17 THR CB C 17 69.202 69.202 69.504 -0.302 19811 2242 1 7 . 1 1 17 17 THR H H 17 8.342 8.342 8.023 0.319 19811 2243 1 7 . 1 1 18 18 VAL N N 18 116.699 116.699 121.160 -4.461 19811 2244 1 7 . 1 1 18 18 VAL HA H 18 3.910 3.910 4.430 -0.520 19811 2245 1 7 . 1 1 18 18 VAL CA C 18 58.565 58.565 60.326 -1.761 19811 2246 1 7 . 1 1 18 18 VAL CB C 18 35.910 35.910 33.811 2.099 19811 2247 1 7 . 1 1 18 18 VAL H H 18 8.131 8.131 7.955 0.176 19811 2248 1 7 . 1 1 19 19 THR N N 19 110.389 110.389 112.108 -1.719 19811 2249 1 7 . 1 1 19 19 THR HA H 19 4.807 4.807 4.855 -0.048 19811 2250 1 7 . 1 1 19 19 THR CA C 19 58.916 58.916 58.598 0.318 19811 2251 1 7 . 1 1 19 19 THR CB C 19 68.674 68.674 70.072 -1.398 19811 2252 1 7 . 1 1 19 19 THR H H 19 6.219 6.219 7.784 -1.565 19811 2253 1 7 . 1 1 20 20 PRO HA H 20 4.382 4.382 4.492 -0.110 19811 2254 1 7 . 1 1 20 20 PRO CA C 20 65.110 65.110 64.213 0.897 19811 2255 1 7 . 1 1 20 20 PRO CB C 20 31.996 31.996 32.005 -0.009 19811 2256 1 7 . 1 1 21 21 GLU N N 21 113.087 113.087 115.955 -2.868 19811 2257 1 7 . 1 1 21 21 GLU HA H 21 4.350 4.350 4.380 -0.030 19811 2258 1 7 . 1 1 21 21 GLU CA C 21 56.513 56.513 55.754 0.759 19811 2259 1 7 . 1 1 21 21 GLU CB C 21 29.153 29.153 29.984 -0.831 19811 2260 1 7 . 1 1 21 21 GLU H H 21 7.960 7.960 8.298 -0.338 19811 2261 1 7 . 1 1 22 22 PHE N N 22 123.828 123.828 120.182 3.646 19811 2262 1 7 . 1 1 22 22 PHE HA H 22 4.518 4.518 4.775 -0.257 19811 2263 1 7 . 1 1 22 22 PHE CA C 22 58.778 58.778 58.385 0.393 19811 2264 1 7 . 1 1 22 22 PHE CB C 22 40.224 40.224 40.524 -0.300 19811 2265 1 7 . 1 1 22 22 PHE H H 22 7.724 7.724 7.531 0.193 19811 2266 1 7 . 1 1 23 23 THR N N 23 114.031 114.031 113.671 0.360 19811 2267 1 7 . 1 1 23 23 THR HA H 23 4.791 4.791 4.513 0.278 19811 2268 1 7 . 1 1 23 23 THR CA C 23 60.340 60.340 60.497 -0.157 19811 2269 1 7 . 1 1 23 23 THR CB C 23 71.791 71.791 70.705 1.086 19811 2270 1 7 . 1 1 23 23 THR H H 23 8.504 8.504 7.988 0.516 19811 2271 1 7 . 1 1 24 24 VAL N N 24 122.541 122.541 120.034 2.507 19811 2272 1 7 . 1 1 24 24 VAL HA H 24 3.427 3.427 3.713 -0.286 19811 2273 1 7 . 1 1 24 24 VAL CA C 24 66.745 66.745 66.700 0.045 19811 2274 1 7 . 1 1 24 24 VAL CB C 24 30.735 30.735 31.354 -0.619 19811 2275 1 7 . 1 1 24 24 VAL H H 24 8.918 8.918 8.254 0.664 19811 2276 1 7 . 1 1 25 25 LYS N N 25 121.079 121.079 119.205 1.874 19811 2277 1 7 . 1 1 25 25 LYS HA H 25 3.912 3.912 4.022 -0.110 19811 2278 1 7 . 1 1 25 25 LYS CA C 25 59.950 59.950 59.629 0.321 19811 2279 1 7 . 1 1 25 25 LYS CB C 25 32.824 32.824 32.221 0.603 19811 2280 1 7 . 1 1 25 25 LYS H H 25 8.622 8.622 8.224 0.398 19811 2281 1 7 . 1 1 26 26 GLU N N 26 118.646 118.646 120.727 -2.081 19811 2282 1 7 . 1 1 26 26 GLU HA H 26 3.859 3.859 4.355 -0.496 19811 2283 1 7 . 1 1 26 26 GLU CA C 26 59.012 59.012 59.102 -0.090 19811 2284 1 7 . 1 1 26 26 GLU CB C 26 29.344 29.344 29.515 -0.171 19811 2285 1 7 . 1 1 26 26 GLU H H 26 7.734 7.734 7.535 0.199 19811 2286 1 7 . 1 1 27 27 LEU N N 27 122.155 122.155 120.290 1.865 19811 2287 1 7 . 1 1 27 27 LEU HA H 27 4.136 4.136 4.253 -0.117 19811 2288 1 7 . 1 1 27 27 LEU CA C 27 58.226 58.226 58.229 -0.003 19811 2289 1 7 . 1 1 27 27 LEU CB C 27 41.986 41.986 42.129 -0.143 19811 2290 1 7 . 1 1 27 27 LEU H H 27 8.000 8.000 8.430 -0.430 19811 2291 1 7 . 1 1 28 28 ALA N N 28 121.362 121.362 120.227 1.135 19811 2292 1 7 . 1 1 28 28 ALA HA H 28 3.837 3.837 4.110 -0.273 19811 2293 1 7 . 1 1 28 28 ALA CA C 28 55.872 55.872 55.056 0.816 19811 2294 1 7 . 1 1 28 28 ALA CB C 28 17.902 17.902 18.315 -0.413 19811 2295 1 7 . 1 1 28 28 ALA H H 28 8.899 8.899 7.763 1.136 19811 2296 1 7 . 1 1 29 29 GLU N N 29 116.582 116.582 118.020 -1.438 19811 2297 1 7 . 1 1 29 29 GLU HA H 29 3.814 3.814 4.052 -0.238 19811 2298 1 7 . 1 1 29 29 GLU CA C 29 59.849 59.849 58.768 1.081 19811 2299 1 7 . 1 1 29 29 GLU CB C 29 29.185 29.185 29.191 -0.006 19811 2300 1 7 . 1 1 29 29 GLU H H 29 8.437 8.437 8.011 0.426 19811 2301 1 7 . 1 1 30 30 GLU N N 30 121.430 121.430 120.370 1.060 19811 2302 1 7 . 1 1 30 30 GLU HA H 30 4.293 4.293 4.186 0.107 19811 2303 1 7 . 1 1 30 30 GLU CA C 30 58.829 58.829 59.140 -0.311 19811 2304 1 7 . 1 1 30 30 GLU CB C 30 28.720 28.720 29.599 -0.878 19811 2305 1 7 . 1 1 30 30 GLU H H 30 7.877 7.877 7.803 0.074 19811 2306 1 7 . 1 1 31 31 ILE N N 31 119.644 119.644 120.226 -0.582 19811 2307 1 7 . 1 1 31 31 ILE HA H 31 3.289 3.289 3.831 -0.542 19811 2308 1 7 . 1 1 31 31 ILE CA C 31 65.937 65.937 63.297 2.640 19811 2309 1 7 . 1 1 31 31 ILE CB C 31 38.338 38.338 38.138 0.200 19811 2310 1 7 . 1 1 31 31 ILE H H 31 8.438 8.438 7.434 1.004 19811 2311 1 7 . 1 1 32 32 ALA N N 32 120.190 120.190 121.212 -1.022 19811 2312 1 7 . 1 1 32 32 ALA HA H 32 3.637 3.637 4.138 -0.501 19811 2313 1 7 . 1 1 32 32 ALA CA C 32 56.071 56.071 54.618 1.453 19811 2314 1 7 . 1 1 32 32 ALA CB C 32 17.287 17.287 18.201 -0.913 19811 2315 1 7 . 1 1 32 32 ALA H H 32 8.609 8.609 7.821 0.788 19811 2316 1 7 . 1 1 33 33 ARG N N 33 116.846 116.846 117.882 -1.036 19811 2317 1 7 . 1 1 33 33 ARG HA H 33 4.085 4.085 4.060 0.025 19811 2318 1 7 . 1 1 33 33 ARG CA C 33 59.367 59.367 59.094 0.272 19811 2319 1 7 . 1 1 33 33 ARG CB C 33 30.575 30.575 30.444 0.131 19811 2320 1 7 . 1 1 33 33 ARG H H 33 7.817 7.817 7.592 0.225 19811 2321 1 7 . 1 1 34 34 ARG N N 34 118.212 118.212 117.485 0.727 19811 2322 1 7 . 1 1 34 34 ARG HA H 34 4.078 4.078 4.232 -0.154 19811 2323 1 7 . 1 1 34 34 ARG CA C 34 58.321 58.321 57.877 0.444 19811 2324 1 7 . 1 1 34 34 ARG CB C 34 29.771 29.771 29.826 -0.055 19811 2325 1 7 . 1 1 34 34 ARG H H 34 7.922 7.922 8.002 -0.080 19811 2326 1 7 . 1 1 35 35 LEU N N 35 115.523 115.523 118.695 -3.172 19811 2327 1 7 . 1 1 35 35 LEU HA H 35 4.426 4.426 4.547 -0.121 19811 2328 1 7 . 1 1 35 35 LEU CA C 35 54.601 54.601 55.031 -0.430 19811 2329 1 7 . 1 1 35 35 LEU CB C 35 42.895 42.895 42.462 0.432 19811 2330 1 7 . 1 1 35 35 LEU H H 35 7.999 7.999 7.184 0.815 19811 2331 1 7 . 1 1 36 36 GLY N N 36 110.277 110.277 107.451 2.826 19811 2332 1 7 . 1 1 36 36 GLY CA C 36 46.906 46.906 45.398 1.508 19811 2333 1 7 . 1 1 36 36 GLY H H 36 7.864 7.864 8.000 -0.136 19811 2334 1 7 . 1 1 37 37 LEU N N 37 119.310 119.310 118.363 0.947 19811 2335 1 7 . 1 1 37 37 LEU HA H 37 4.691 4.691 4.811 -0.120 19811 2336 1 7 . 1 1 37 37 LEU CA C 37 52.642 52.642 53.088 -0.446 19811 2337 1 7 . 1 1 37 37 LEU CB C 37 45.355 45.355 44.862 0.493 19811 2338 1 7 . 1 1 37 37 LEU H H 37 8.025 8.025 7.914 0.111 19811 2339 1 7 . 1 1 38 38 SER N N 38 115.906 115.906 115.071 0.835 19811 2340 1 7 . 1 1 38 38 SER HA H 38 4.955 4.955 4.923 0.032 19811 2341 1 7 . 1 1 38 38 SER CA C 38 55.376 55.376 54.904 0.471 19811 2342 1 7 . 1 1 38 38 SER CB C 38 63.732 63.732 64.374 -0.642 19811 2343 1 7 . 1 1 38 38 SER H H 38 8.662 8.662 8.255 0.407 19811 2344 1 7 . 1 1 39 39 PRO HA H 39 3.976 3.976 4.447 -0.471 19811 2345 1 7 . 1 1 39 39 PRO CA C 39 65.434 65.434 64.013 1.421 19811 2346 1 7 . 1 1 39 39 PRO CB C 39 31.527 31.527 32.100 -0.573 19811 2347 1 7 . 1 1 40 40 GLU N N 40 115.609 115.609 115.929 -0.320 19811 2348 1 7 . 1 1 40 40 GLU HA H 40 4.115 4.115 4.202 -0.087 19811 2349 1 7 . 1 1 40 40 GLU CA C 40 57.861 57.861 57.471 0.390 19811 2350 1 7 . 1 1 40 40 GLU CB C 40 28.842 28.842 29.575 -0.733 19811 2351 1 7 . 1 1 40 40 GLU H H 40 8.455 8.455 7.680 0.775 19811 2352 1 7 . 1 1 41 41 ASP N N 41 118.239 118.239 118.309 -0.070 19811 2353 1 7 . 1 1 41 41 ASP HA H 41 4.711 4.711 4.689 0.022 19811 2354 1 7 . 1 1 41 41 ASP CA C 41 54.862 54.862 56.178 -1.316 19811 2355 1 7 . 1 1 41 41 ASP CB C 41 41.920 41.920 42.892 -0.972 19811 2356 1 7 . 1 1 41 41 ASP H H 41 7.814 7.814 7.552 0.262 19811 2357 1 7 . 1 1 42 42 ILE N N 42 116.579 116.579 119.746 -3.167 19811 2358 1 7 . 1 1 42 42 ILE HA H 42 4.305 4.305 4.510 -0.205 19811 2359 1 7 . 1 1 42 42 ILE CA C 42 60.232 60.232 61.259 -1.027 19811 2360 1 7 . 1 1 42 42 ILE CB C 42 39.070 39.070 38.271 0.799 19811 2361 1 7 . 1 1 42 42 ILE H H 42 7.069 7.069 7.291 -0.222 19811 2362 1 7 . 1 1 43 43 LYS N N 43 128.374 128.374 127.850 0.524 19811 2363 1 7 . 1 1 43 43 LYS HA H 43 4.489 4.489 4.692 -0.203 19811 2364 1 7 . 1 1 43 43 LYS CA C 43 54.924 54.924 54.517 0.407 19811 2365 1 7 . 1 1 43 43 LYS CB C 43 35.322 35.322 36.135 -0.813 19811 2366 1 7 . 1 1 43 43 LYS H H 43 8.709 8.709 8.966 -0.257 19811 2367 1 7 . 1 1 44 44 LEU N N 44 126.700 126.700 125.548 1.152 19811 2368 1 7 . 1 1 44 44 LEU HA H 44 5.368 5.368 4.537 0.831 19811 2369 1 7 . 1 1 44 44 LEU CA C 44 52.839 52.839 54.852 -2.013 19811 2370 1 7 . 1 1 44 44 LEU CB C 44 44.529 44.529 43.169 1.360 19811 2371 1 7 . 1 1 44 44 LEU H H 44 8.929 8.929 8.731 0.198 19811 2372 1 7 . 1 1 45 45 THR N N 45 112.945 112.945 119.461 -6.516 19811 2373 1 7 . 1 1 45 45 THR HA H 45 5.282 5.282 5.183 0.099 19811 2374 1 7 . 1 1 45 45 THR CA C 45 59.240 59.240 61.387 -2.147 19811 2375 1 7 . 1 1 45 45 THR CB C 45 72.146 72.146 70.406 1.740 19811 2376 1 7 . 1 1 45 45 THR H H 45 8.846 8.846 8.523 0.323 19811 2377 1 7 . 1 1 46 46 HIS N N 46 120.347 120.347 125.441 -5.094 19811 2378 1 7 . 1 1 46 46 HIS HA H 46 4.956 4.956 4.968 -0.012 19811 2379 1 7 . 1 1 46 46 HIS CA C 46 55.757 55.757 55.740 0.017 19811 2380 1 7 . 1 1 46 46 HIS CB C 46 34.673 34.673 33.413 1.260 19811 2381 1 7 . 1 1 46 46 HIS H H 46 8.620 8.620 9.032 -0.412 19811 2382 1 7 . 1 1 47 47 ASN N N 47 128.187 128.187 125.403 2.784 19811 2383 1 7 . 1 1 47 47 ASN HA H 47 4.178 4.178 4.337 -0.159 19811 2384 1 7 . 1 1 47 47 ASN CA C 47 53.481 53.481 53.366 0.115 19811 2385 1 7 . 1 1 47 47 ASN CB C 47 36.888 36.888 36.697 0.191 19811 2386 1 7 . 1 1 47 47 ASN H H 47 9.136 9.136 9.026 0.110 19811 2387 1 7 . 1 1 48 48 GLY N N 48 103.028 103.028 104.128 -1.100 19811 2388 1 7 . 1 1 48 48 GLY CA C 48 45.279 45.279 44.974 0.305 19811 2389 1 7 . 1 1 48 48 GLY H H 48 8.633 8.633 8.602 0.031 19811 2390 1 7 . 1 1 49 49 LYS N N 49 121.730 121.730 120.454 1.276 19811 2391 1 7 . 1 1 49 49 LYS HA H 49 4.572 4.572 4.708 -0.136 19811 2392 1 7 . 1 1 49 49 LYS CA C 49 54.677 54.677 54.866 -0.189 19811 2393 1 7 . 1 1 49 49 LYS CB C 49 33.823 33.823 36.031 -2.208 19811 2394 1 7 . 1 1 49 49 LYS H H 49 7.790 7.790 7.817 -0.027 19811 2395 1 7 . 1 1 50 50 THR N N 50 121.190 121.190 114.669 6.521 19811 2396 1 7 . 1 1 50 50 THR HA H 50 4.254 4.254 5.153 -0.899 19811 2397 1 7 . 1 1 50 50 THR CA C 50 63.304 63.304 60.922 2.382 19811 2398 1 7 . 1 1 50 50 THR CB C 50 68.732 68.732 69.836 -1.104 19811 2399 1 7 . 1 1 50 50 THR H H 50 8.735 8.735 8.411 0.324 19811 2400 1 7 . 1 1 51 51 LEU N N 51 127.406 127.406 124.501 2.905 19811 2401 1 7 . 1 1 51 51 LEU HA H 51 3.973 3.973 4.211 -0.238 19811 2402 1 7 . 1 1 51 51 LEU CA C 51 54.125 54.125 54.258 -0.133 19811 2403 1 7 . 1 1 51 51 LEU CB C 51 41.715 41.715 43.375 -1.660 19811 2404 1 7 . 1 1 51 51 LEU H H 51 8.586 8.586 8.189 0.397 19811 2405 1 7 . 1 1 52 52 ASP N N 52 126.711 126.711 124.775 1.936 19811 2406 1 7 . 1 1 52 52 ASP HA H 52 4.840 4.840 4.891 -0.051 19811 2407 1 7 . 1 1 52 52 ASP CA C 52 51.377 51.377 51.850 -0.473 19811 2408 1 7 . 1 1 52 52 ASP CB C 52 43.019 43.019 42.977 0.042 19811 2409 1 7 . 1 1 52 52 ASP H H 52 8.974 8.974 7.943 1.031 19811 2410 1 7 . 1 1 53 53 PRO HA H 53 4.095 4.095 4.391 -0.296 19811 2411 1 7 . 1 1 53 53 PRO CA C 53 64.240 64.240 64.344 -0.103 19811 2412 1 7 . 1 1 53 53 PRO CB C 53 33.077 33.077 32.185 0.892 19811 2413 1 7 . 1 1 54 54 SER N N 54 110.024 110.024 113.784 -3.760 19811 2414 1 7 . 1 1 54 54 SER HA H 54 4.330 4.330 4.333 -0.003 19811 2415 1 7 . 1 1 54 54 SER CA C 54 59.971 59.971 60.078 -0.107 19811 2416 1 7 . 1 1 54 54 SER CB C 54 63.881 63.881 63.431 0.450 19811 2417 1 7 . 1 1 54 54 SER H H 54 8.643 8.643 7.974 0.669 19811 2418 1 7 . 1 1 55 55 LEU N N 55 123.514 123.514 120.252 3.262 19811 2419 1 7 . 1 1 55 55 LEU HA H 55 4.645 4.645 4.577 0.068 19811 2420 1 7 . 1 1 55 55 LEU CA C 55 50.579 50.579 54.267 -3.688 19811 2421 1 7 . 1 1 55 55 LEU CB C 55 43.928 43.928 43.081 0.847 19811 2422 1 7 . 1 1 55 55 LEU H H 55 7.722 7.722 7.409 0.313 19811 2423 1 7 . 1 1 56 56 THR N N 56 107.845 107.845 108.690 -0.845 19811 2424 1 7 . 1 1 56 56 THR HA H 56 4.921 4.921 4.588 0.333 19811 2425 1 7 . 1 1 56 56 THR CA C 56 60.266 60.266 60.474 -0.208 19811 2426 1 7 . 1 1 56 56 THR CB C 56 71.553 71.553 70.652 0.901 19811 2427 1 7 . 1 1 56 56 THR H H 56 8.335 8.335 7.998 0.337 19811 2428 1 7 . 1 1 57 57 LEU N N 57 118.354 118.354 120.077 -1.723 19811 2429 1 7 . 1 1 57 57 LEU HA H 57 3.992 3.992 4.556 -0.564 19811 2430 1 7 . 1 1 57 57 LEU CA C 57 58.658 58.658 57.129 1.529 19811 2431 1 7 . 1 1 57 57 LEU CB C 57 39.774 39.774 42.502 -2.728 19811 2432 1 7 . 1 1 57 57 LEU H H 57 8.117 8.117 8.809 -0.692 19811 2433 1 7 . 1 1 58 58 ALA N N 58 120.467 120.467 118.642 1.825 19811 2434 1 7 . 1 1 58 58 ALA HA H 58 4.075 4.075 4.197 -0.122 19811 2435 1 7 . 1 1 58 58 ALA CA C 58 55.047 55.047 53.722 1.325 19811 2436 1 7 . 1 1 58 58 ALA CB C 58 18.267 18.267 18.464 -0.197 19811 2437 1 7 . 1 1 58 58 ALA H H 58 8.730 8.730 8.374 0.356 19811 2438 1 7 . 1 1 59 59 GLU N N 59 119.907 119.907 117.548 2.359 19811 2439 1 7 . 1 1 59 59 GLU HA H 59 3.935 3.935 4.179 -0.244 19811 2440 1 7 . 1 1 59 59 GLU CA C 59 58.914 58.914 57.402 1.512 19811 2441 1 7 . 1 1 59 59 GLU CB C 59 29.623 29.623 29.819 -0.196 19811 2442 1 7 . 1 1 59 59 GLU H H 59 7.890 7.890 8.392 -0.502 19811 2443 1 7 . 1 1 60 60 TYR N N 60 116.582 116.582 118.979 -2.397 19811 2444 1 7 . 1 1 60 60 TYR HA H 60 4.554 4.554 4.443 0.111 19811 2445 1 7 . 1 1 60 60 TYR CA C 60 59.463 59.463 58.413 1.050 19811 2446 1 7 . 1 1 60 60 TYR CB C 60 40.288 40.288 39.452 0.836 19811 2447 1 7 . 1 1 60 60 TYR H H 60 7.448 7.448 7.579 -0.131 19811 2448 1 7 . 1 1 61 61 GLY N N 61 109.141 109.141 108.225 0.916 19811 2449 1 7 . 1 1 61 61 GLY CA C 61 46.380 46.380 45.029 1.351 19811 2450 1 7 . 1 1 61 61 GLY H H 61 8.067 8.067 7.897 0.170 19811 2451 1 7 . 1 1 62 62 ILE N N 62 120.506 120.506 121.027 -0.521 19811 2452 1 7 . 1 1 62 62 ILE HA H 62 3.614 3.614 4.259 -0.645 19811 2453 1 7 . 1 1 62 62 ILE CA C 62 61.392 61.392 60.910 0.482 19811 2454 1 7 . 1 1 62 62 ILE CB C 62 36.445 36.445 38.514 -2.069 19811 2455 1 7 . 1 1 62 62 ILE H H 62 7.416 7.416 7.650 -0.234 19811 2456 1 7 . 1 1 63 63 THR N N 63 117.984 117.984 118.772 -0.788 19811 2457 1 7 . 1 1 63 63 THR HA H 63 4.528 4.528 4.824 -0.296 19811 2458 1 7 . 1 1 63 63 THR CA C 63 58.942 58.942 59.244 -0.302 19811 2459 1 7 . 1 1 63 63 THR CB C 63 68.304 68.304 69.260 -0.956 19811 2460 1 7 . 1 1 63 63 THR H H 63 7.408 7.408 8.123 -0.715 19811 2461 1 7 . 1 1 64 64 PRO HA H 64 4.237 4.237 4.294 -0.057 19811 2462 1 7 . 1 1 64 64 PRO CA C 64 64.568 64.568 62.809 1.759 19811 2463 1 7 . 1 1 64 64 PRO CB C 64 31.861 31.861 32.021 -0.160 19811 2464 1 7 . 1 1 65 65 GLY N N 65 112.539 112.539 110.264 2.275 19811 2465 1 7 . 1 1 65 65 GLY CA C 65 44.719 44.719 44.984 -0.265 19811 2466 1 7 . 1 1 65 65 GLY H H 65 9.286 9.286 8.251 1.035 19811 2467 1 7 . 1 1 66 66 SER N N 66 116.523 116.523 116.560 -0.037 19811 2468 1 7 . 1 1 66 66 SER HA H 66 4.535 4.535 4.816 -0.281 19811 2469 1 7 . 1 1 66 66 SER CA C 66 60.415 60.415 57.841 2.574 19811 2470 1 7 . 1 1 66 66 SER CB C 66 64.604 64.604 65.420 -0.816 19811 2471 1 7 . 1 1 66 66 SER H H 66 7.822 7.822 7.985 -0.163 19811 2472 1 7 . 1 1 67 67 THR N N 67 118.238 118.238 115.291 2.947 19811 2473 1 7 . 1 1 67 67 THR HA H 67 5.342 5.342 4.421 0.921 19811 2474 1 7 . 1 1 67 67 THR CA C 67 62.059 62.059 61.499 0.560 19811 2475 1 7 . 1 1 67 67 THR CB C 67 70.858 70.858 69.374 1.484 19811 2476 1 7 . 1 1 67 67 THR H H 67 8.715 8.715 8.382 0.333 19811 2477 1 7 . 1 1 68 68 ILE N N 68 126.891 126.891 127.630 -0.739 19811 2478 1 7 . 1 1 68 68 ILE HA H 68 4.761 4.761 4.363 0.398 19811 2479 1 7 . 1 1 68 68 ILE CA C 68 59.434 59.434 60.529 -1.095 19811 2480 1 7 . 1 1 68 68 ILE CB C 68 40.783 40.783 39.861 0.922 19811 2481 1 7 . 1 1 68 68 ILE H H 68 9.097 9.097 8.177 0.920 19811 2482 1 7 . 1 1 69 69 THR N N 69 120.333 120.333 120.041 0.292 19811 2483 1 7 . 1 1 69 69 THR HA H 69 4.566 4.566 4.793 -0.227 19811 2484 1 7 . 1 1 69 69 THR CA C 69 63.014 63.014 60.482 2.532 19811 2485 1 7 . 1 1 69 69 THR CB C 69 70.043 70.043 69.650 0.393 19811 2486 1 7 . 1 1 69 69 THR H H 69 8.903 8.903 8.232 0.671 19811 2487 1 7 . 1 1 70 70 LEU N N 70 126.490 126.490 121.900 4.590 19811 2488 1 7 . 1 1 70 70 LEU HA H 70 4.984 4.984 5.373 -0.389 19811 2489 1 7 . 1 1 70 70 LEU CA C 70 54.088 54.088 53.246 0.842 19811 2490 1 7 . 1 1 70 70 LEU CB C 70 44.772 44.772 44.464 0.308 19811 2491 1 7 . 1 1 70 70 LEU H H 70 8.191 8.191 7.801 0.390 19811 2492 1 7 . 1 1 71 71 GLU N N 71 125.912 125.912 119.901 6.011 19811 2493 1 7 . 1 1 71 71 GLU HA H 71 4.505 4.505 4.720 -0.215 19811 2494 1 7 . 1 1 71 71 GLU CA C 71 54.828 54.828 55.399 -0.571 19811 2495 1 7 . 1 1 71 71 GLU CB C 71 33.391 33.391 33.881 -0.490 19811 2496 1 7 . 1 1 71 71 GLU H H 71 9.089 9.089 8.670 0.419 19811 2497 1 7 . 1 1 72 72 ILE N N 72 123.229 123.229 122.175 1.054 19811 2498 1 7 . 1 1 72 72 ILE HA H 72 4.570 4.570 4.976 -0.406 19811 2499 1 7 . 1 1 72 72 ILE CA C 72 59.629 59.629 60.079 -0.450 19811 2500 1 7 . 1 1 72 72 ILE CB C 72 38.376 38.376 40.346 -1.970 19811 2501 1 7 . 1 1 72 72 ILE H H 72 8.526 8.526 8.511 0.015 19811 2502 1 7 . 1 1 73 73 LYS N N 73 129.392 129.392 127.439 1.953 19811 2503 1 7 . 1 1 73 73 LYS HA H 73 4.178 4.178 4.674 -0.496 19811 2504 1 7 . 1 1 73 73 LYS CA C 73 56.564 56.564 55.588 0.976 19811 2505 1 7 . 1 1 73 73 LYS CB C 73 33.320 33.320 34.146 -0.826 19811 2506 1 7 . 1 1 73 73 LYS H H 73 8.837 8.837 8.331 0.506 19811 2507 1 7 . 1 1 74 74 LYS N N 74 123.476 123.476 123.086 0.390 19811 2508 1 7 . 1 1 74 74 LYS HA H 74 4.255 4.255 4.577 -0.322 19811 2509 1 7 . 1 1 74 74 LYS CA C 74 56.000 56.000 55.636 0.363 19811 2510 1 7 . 1 1 74 74 LYS CB C 74 33.223 33.223 33.988 -0.765 19811 2511 1 7 . 1 1 74 74 LYS H H 74 8.266 8.266 8.366 -0.100 19811 2512 1 7 . 1 1 75 75 LYS N N 75 124.450 124.450 122.995 1.455 19811 2513 1 7 . 1 1 75 75 LYS HA H 75 4.245 4.245 4.542 -0.297 19811 2514 1 7 . 1 1 75 75 LYS CA C 75 56.677 56.677 56.293 0.384 19811 2515 1 7 . 1 1 75 75 LYS CB C 75 32.876 32.876 33.744 -0.868 19811 2516 1 7 . 1 1 75 75 LYS H H 75 8.572 8.572 8.525 0.047 19811 2517 1 7 . 1 1 76 76 GLY N N 76 110.666 110.666 109.142 1.524 19811 2518 1 7 . 1 1 76 76 GLY CA C 76 45.330 45.330 45.713 -0.383 19811 2519 1 7 . 1 1 76 76 GLY H H 76 8.549 8.549 8.756 -0.207 19811 2520 1 7 . 1 1 77 77 GLY N N 77 108.740 108.740 109.184 -0.444 19811 2521 1 7 . 1 1 77 77 GLY CA C 77 45.300 45.300 44.526 0.774 19811 2522 1 7 . 1 1 77 77 GLY H H 77 8.332 8.332 8.014 0.318 19811 2523 1 7 . 1 1 78 78 LEU N N 78 121.371 121.371 124.301 -2.930 19811 2524 1 7 . 1 1 78 78 LEU HA H 78 4.263 4.263 4.575 -0.312 19811 2525 1 7 . 1 1 78 78 LEU CA C 78 55.127 55.127 54.745 0.382 19811 2526 1 7 . 1 1 78 78 LEU CB C 78 42.290 42.290 42.568 -0.278 19811 2527 1 7 . 1 1 78 78 LEU H H 78 8.165 8.165 8.396 -0.231 19811 2528 1 8 . 1 1 2 2 ASP N N 2 121.707 121.707 116.987 4.720 19811 2529 1 8 . 1 1 2 2 ASP HA H 2 4.798 4.798 4.375 0.423 19811 2530 1 8 . 1 1 2 2 ASP CA C 2 54.249 54.249 55.529 -1.280 19811 2531 1 8 . 1 1 2 2 ASP CB C 2 42.163 42.163 40.223 1.940 19811 2532 1 8 . 1 1 2 2 ASP H H 2 8.479 8.479 8.416 0.063 19811 2533 1 8 . 1 1 3 3 THR N N 3 109.876 109.876 108.424 1.452 19811 2534 1 8 . 1 1 3 3 THR HA H 3 5.324 5.324 5.417 -0.093 19811 2535 1 8 . 1 1 3 3 THR CA C 3 59.553 59.553 60.575 -1.022 19811 2536 1 8 . 1 1 3 3 THR CB C 3 72.235 72.235 70.854 1.381 19811 2537 1 8 . 1 1 3 3 THR H H 3 7.857 7.857 7.438 0.419 19811 2538 1 8 . 1 1 4 4 ILE N N 4 115.792 115.792 117.103 -1.311 19811 2539 1 8 . 1 1 4 4 ILE HA H 4 4.464 4.464 4.588 -0.124 19811 2540 1 8 . 1 1 4 4 ILE CA C 4 59.314 59.314 59.368 -0.054 19811 2541 1 8 . 1 1 4 4 ILE CB C 4 41.940 41.940 41.209 0.731 19811 2542 1 8 . 1 1 4 4 ILE H H 4 8.665 8.665 8.902 -0.237 19811 2543 1 8 . 1 1 5 5 ASN N N 5 119.913 119.913 119.860 0.053 19811 2544 1 8 . 1 1 5 5 ASN HA H 5 5.438 5.438 5.832 -0.394 19811 2545 1 8 . 1 1 5 5 ASN CA C 5 51.594 51.594 51.513 0.081 19811 2546 1 8 . 1 1 5 5 ASN CB C 5 41.031 41.031 41.539 -0.508 19811 2547 1 8 . 1 1 5 5 ASN H H 5 8.457 8.457 8.063 0.394 19811 2548 1 8 . 1 1 6 6 ILE N N 6 122.674 122.674 122.131 0.543 19811 2549 1 8 . 1 1 6 6 ILE HA H 6 5.035 5.035 4.489 0.546 19811 2550 1 8 . 1 1 6 6 ILE CA C 6 57.857 57.857 60.854 -2.997 19811 2551 1 8 . 1 1 6 6 ILE CB C 6 38.947 38.947 40.712 -1.764 19811 2552 1 8 . 1 1 6 6 ILE H H 6 9.426 9.426 8.278 1.148 19811 2553 1 8 . 1 1 7 7 THR N N 7 124.398 124.398 124.158 0.240 19811 2554 1 8 . 1 1 7 7 THR HA H 7 4.512 4.512 5.004 -0.492 19811 2555 1 8 . 1 1 7 7 THR CA C 7 62.639 62.639 61.627 1.012 19811 2556 1 8 . 1 1 7 7 THR CB C 7 69.074 69.074 68.829 0.245 19811 2557 1 8 . 1 1 7 7 THR H H 7 9.152 9.152 9.097 0.055 19811 2558 1 8 . 1 1 8 8 LEU N N 8 127.909 127.909 123.562 4.347 19811 2559 1 8 . 1 1 8 8 LEU HA H 8 4.601 4.601 5.027 -0.426 19811 2560 1 8 . 1 1 8 8 LEU CA C 8 53.537 53.537 51.570 1.967 19811 2561 1 8 . 1 1 8 8 LEU CB C 8 39.928 39.928 41.102 -1.175 19811 2562 1 8 . 1 1 8 8 LEU H H 8 8.992 8.992 7.823 1.169 19811 2563 1 8 . 1 1 9 9 PRO HA H 9 4.419 4.419 4.202 0.217 19811 2564 1 8 . 1 1 9 9 PRO CA C 9 65.184 65.184 65.368 -0.184 19811 2565 1 8 . 1 1 9 9 PRO CB C 9 31.999 31.999 31.601 0.398 19811 2566 1 8 . 1 1 10 10 ASP N N 10 113.521 113.521 117.394 -3.873 19811 2567 1 8 . 1 1 10 10 ASP HA H 10 4.490 4.490 4.522 -0.032 19811 2568 1 8 . 1 1 10 10 ASP CA C 10 53.129 53.129 54.773 -1.643 19811 2569 1 8 . 1 1 10 10 ASP CB C 10 39.986 39.986 40.744 -0.758 19811 2570 1 8 . 1 1 10 10 ASP H H 10 7.678 7.678 8.070 -0.392 19811 2571 1 8 . 1 1 11 11 GLY N N 11 108.658 108.658 107.247 1.411 19811 2572 1 8 . 1 1 11 11 GLY CA C 11 45.218 45.218 44.867 0.351 19811 2573 1 8 . 1 1 11 11 GLY H H 11 8.376 8.376 7.893 0.483 19811 2574 1 8 . 1 1 12 12 LYS N N 12 121.449 121.449 120.614 0.835 19811 2575 1 8 . 1 1 12 12 LYS HA H 12 4.331 4.331 4.536 -0.205 19811 2576 1 8 . 1 1 12 12 LYS CA C 12 56.660 56.660 55.593 1.067 19811 2577 1 8 . 1 1 12 12 LYS CB C 12 33.199 33.199 33.265 -0.066 19811 2578 1 8 . 1 1 12 12 LYS H H 12 7.766 7.766 8.037 -0.271 19811 2579 1 8 . 1 1 13 13 THR N N 13 113.928 113.928 110.450 3.478 19811 2580 1 8 . 1 1 13 13 THR HA H 13 5.193 5.193 5.574 -0.381 19811 2581 1 8 . 1 1 13 13 THR CA C 13 61.734 61.734 60.306 1.428 19811 2582 1 8 . 1 1 13 13 THR CB C 13 71.481 71.481 71.426 0.055 19811 2583 1 8 . 1 1 13 13 THR H H 13 8.248 8.248 8.134 0.114 19811 2584 1 8 . 1 1 14 14 LEU N N 14 128.446 128.446 122.296 6.150 19811 2585 1 8 . 1 1 14 14 LEU HA H 14 4.739 4.739 4.739 -0.000 19811 2586 1 8 . 1 1 14 14 LEU CA C 14 53.403 53.403 53.782 -0.380 19811 2587 1 8 . 1 1 14 14 LEU CB C 14 45.480 45.480 46.285 -0.805 19811 2588 1 8 . 1 1 14 14 LEU H H 14 9.270 9.270 8.306 0.964 19811 2589 1 8 . 1 1 15 15 THR N N 15 123.048 123.048 118.901 4.147 19811 2590 1 8 . 1 1 15 15 THR HA H 15 5.191 5.191 5.181 0.010 19811 2591 1 8 . 1 1 15 15 THR CA C 15 61.986 61.986 61.600 0.386 19811 2592 1 8 . 1 1 15 15 THR CB C 15 70.339 70.339 69.471 0.868 19811 2593 1 8 . 1 1 15 15 THR H H 15 8.759 8.759 8.225 0.534 19811 2594 1 8 . 1 1 16 16 LEU N N 16 125.874 125.874 128.672 -2.798 19811 2595 1 8 . 1 1 16 16 LEU HA H 16 4.770 4.770 4.761 0.009 19811 2596 1 8 . 1 1 16 16 LEU CA C 16 53.222 53.222 53.231 -0.009 19811 2597 1 8 . 1 1 16 16 LEU CB C 16 45.322 45.322 46.785 -1.463 19811 2598 1 8 . 1 1 16 16 LEU H H 16 8.551 8.551 8.580 -0.029 19811 2599 1 8 . 1 1 17 17 THR N N 17 117.080 117.080 118.538 -1.458 19811 2600 1 8 . 1 1 17 17 THR HA H 17 4.629 4.629 5.166 -0.537 19811 2601 1 8 . 1 1 17 17 THR CA C 17 61.950 61.950 61.389 0.561 19811 2602 1 8 . 1 1 17 17 THR CB C 17 69.202 69.202 69.779 -0.577 19811 2603 1 8 . 1 1 17 17 THR H H 17 8.342 8.342 8.284 0.058 19811 2604 1 8 . 1 1 18 18 VAL N N 18 116.699 116.699 122.871 -6.172 19811 2605 1 8 . 1 1 18 18 VAL HA H 18 3.910 3.910 4.416 -0.506 19811 2606 1 8 . 1 1 18 18 VAL CA C 18 58.565 58.565 59.904 -1.339 19811 2607 1 8 . 1 1 18 18 VAL CB C 18 35.910 35.910 33.171 2.739 19811 2608 1 8 . 1 1 18 18 VAL H H 18 8.131 8.131 7.967 0.164 19811 2609 1 8 . 1 1 19 19 THR N N 19 110.389 110.389 111.528 -1.139 19811 2610 1 8 . 1 1 19 19 THR HA H 19 4.807 4.807 4.871 -0.064 19811 2611 1 8 . 1 1 19 19 THR CA C 19 58.916 58.916 59.008 -0.092 19811 2612 1 8 . 1 1 19 19 THR CB C 19 68.674 68.674 69.861 -1.187 19811 2613 1 8 . 1 1 19 19 THR H H 19 6.219 6.219 7.832 -1.613 19811 2614 1 8 . 1 1 20 20 PRO HA H 20 4.382 4.382 4.477 -0.095 19811 2615 1 8 . 1 1 20 20 PRO CA C 20 65.110 65.110 64.075 1.035 19811 2616 1 8 . 1 1 20 20 PRO CB C 20 31.996 31.996 32.201 -0.205 19811 2617 1 8 . 1 1 21 21 GLU N N 21 113.087 113.087 115.962 -2.875 19811 2618 1 8 . 1 1 21 21 GLU HA H 21 4.350 4.350 4.369 -0.019 19811 2619 1 8 . 1 1 21 21 GLU CA C 21 56.513 56.513 55.791 0.722 19811 2620 1 8 . 1 1 21 21 GLU CB C 21 29.153 29.153 29.981 -0.828 19811 2621 1 8 . 1 1 21 21 GLU H H 21 7.960 7.960 8.295 -0.335 19811 2622 1 8 . 1 1 22 22 PHE N N 22 123.828 123.828 120.358 3.470 19811 2623 1 8 . 1 1 22 22 PHE HA H 22 4.518 4.518 4.593 -0.075 19811 2624 1 8 . 1 1 22 22 PHE CA C 22 58.778 58.778 58.506 0.272 19811 2625 1 8 . 1 1 22 22 PHE CB C 22 40.224 40.224 40.497 -0.273 19811 2626 1 8 . 1 1 22 22 PHE H H 22 7.724 7.724 7.540 0.184 19811 2627 1 8 . 1 1 23 23 THR N N 23 114.031 114.031 113.404 0.627 19811 2628 1 8 . 1 1 23 23 THR HA H 23 4.791 4.791 4.515 0.276 19811 2629 1 8 . 1 1 23 23 THR CA C 23 60.340 60.340 60.456 -0.116 19811 2630 1 8 . 1 1 23 23 THR CB C 23 71.791 71.791 71.275 0.516 19811 2631 1 8 . 1 1 23 23 THR H H 23 8.504 8.504 7.929 0.575 19811 2632 1 8 . 1 1 24 24 VAL N N 24 122.541 122.541 120.481 2.060 19811 2633 1 8 . 1 1 24 24 VAL HA H 24 3.427 3.427 3.712 -0.285 19811 2634 1 8 . 1 1 24 24 VAL CA C 24 66.745 66.745 66.519 0.226 19811 2635 1 8 . 1 1 24 24 VAL CB C 24 30.735 30.735 31.411 -0.676 19811 2636 1 8 . 1 1 24 24 VAL H H 24 8.918 8.918 8.339 0.579 19811 2637 1 8 . 1 1 25 25 LYS N N 25 121.079 121.079 119.357 1.722 19811 2638 1 8 . 1 1 25 25 LYS HA H 25 3.912 3.912 4.042 -0.130 19811 2639 1 8 . 1 1 25 25 LYS CA C 25 59.950 59.950 59.559 0.391 19811 2640 1 8 . 1 1 25 25 LYS CB C 25 32.824 32.824 32.146 0.678 19811 2641 1 8 . 1 1 25 25 LYS H H 25 8.622 8.622 8.337 0.285 19811 2642 1 8 . 1 1 26 26 GLU N N 26 118.646 118.646 120.673 -2.027 19811 2643 1 8 . 1 1 26 26 GLU HA H 26 3.859 3.859 4.354 -0.495 19811 2644 1 8 . 1 1 26 26 GLU CA C 26 59.012 59.012 59.014 -0.001 19811 2645 1 8 . 1 1 26 26 GLU CB C 26 29.344 29.344 29.474 -0.130 19811 2646 1 8 . 1 1 26 26 GLU H H 26 7.734 7.734 7.499 0.235 19811 2647 1 8 . 1 1 27 27 LEU N N 27 122.155 122.155 120.357 1.798 19811 2648 1 8 . 1 1 27 27 LEU HA H 27 4.136 4.136 4.381 -0.245 19811 2649 1 8 . 1 1 27 27 LEU CA C 27 58.226 58.226 57.984 0.242 19811 2650 1 8 . 1 1 27 27 LEU CB C 27 41.986 41.986 42.184 -0.198 19811 2651 1 8 . 1 1 27 27 LEU H H 27 8.000 8.000 8.480 -0.480 19811 2652 1 8 . 1 1 28 28 ALA N N 28 121.362 121.362 120.416 0.946 19811 2653 1 8 . 1 1 28 28 ALA HA H 28 3.837 3.837 4.079 -0.242 19811 2654 1 8 . 1 1 28 28 ALA CA C 28 55.872 55.872 55.102 0.770 19811 2655 1 8 . 1 1 28 28 ALA CB C 28 17.902 17.902 18.239 -0.337 19811 2656 1 8 . 1 1 28 28 ALA H H 28 8.899 8.899 7.692 1.207 19811 2657 1 8 . 1 1 29 29 GLU N N 29 116.582 116.582 118.105 -1.523 19811 2658 1 8 . 1 1 29 29 GLU HA H 29 3.814 3.814 4.026 -0.212 19811 2659 1 8 . 1 1 29 29 GLU CA C 29 59.849 59.849 58.872 0.977 19811 2660 1 8 . 1 1 29 29 GLU CB C 29 29.185 29.185 29.104 0.081 19811 2661 1 8 . 1 1 29 29 GLU H H 29 8.437 8.437 7.906 0.531 19811 2662 1 8 . 1 1 30 30 GLU N N 30 121.430 121.430 120.370 1.060 19811 2663 1 8 . 1 1 30 30 GLU HA H 30 4.293 4.293 4.166 0.127 19811 2664 1 8 . 1 1 30 30 GLU CA C 30 58.829 58.829 59.078 -0.249 19811 2665 1 8 . 1 1 30 30 GLU CB C 30 28.720 28.720 29.887 -1.167 19811 2666 1 8 . 1 1 30 30 GLU H H 30 7.877 7.877 7.648 0.229 19811 2667 1 8 . 1 1 31 31 ILE N N 31 119.644 119.644 120.337 -0.693 19811 2668 1 8 . 1 1 31 31 ILE HA H 31 3.289 3.289 3.844 -0.555 19811 2669 1 8 . 1 1 31 31 ILE CA C 31 65.937 65.937 63.461 2.476 19811 2670 1 8 . 1 1 31 31 ILE CB C 31 38.338 38.338 38.158 0.180 19811 2671 1 8 . 1 1 31 31 ILE H H 31 8.438 8.438 7.506 0.932 19811 2672 1 8 . 1 1 32 32 ALA N N 32 120.190 120.190 121.685 -1.495 19811 2673 1 8 . 1 1 32 32 ALA HA H 32 3.637 3.637 4.126 -0.489 19811 2674 1 8 . 1 1 32 32 ALA CA C 32 56.071 56.071 54.775 1.296 19811 2675 1 8 . 1 1 32 32 ALA CB C 32 17.287 17.287 18.145 -0.858 19811 2676 1 8 . 1 1 32 32 ALA H H 32 8.609 8.609 7.869 0.740 19811 2677 1 8 . 1 1 33 33 ARG N N 33 116.846 116.846 117.758 -0.912 19811 2678 1 8 . 1 1 33 33 ARG HA H 33 4.085 4.085 4.078 0.007 19811 2679 1 8 . 1 1 33 33 ARG CA C 33 59.367 59.367 58.912 0.455 19811 2680 1 8 . 1 1 33 33 ARG CB C 33 30.575 30.575 30.407 0.168 19811 2681 1 8 . 1 1 33 33 ARG H H 33 7.817 7.817 7.690 0.127 19811 2682 1 8 . 1 1 34 34 ARG N N 34 118.212 118.212 117.670 0.542 19811 2683 1 8 . 1 1 34 34 ARG HA H 34 4.078 4.078 4.195 -0.117 19811 2684 1 8 . 1 1 34 34 ARG CA C 34 58.321 58.321 58.278 0.043 19811 2685 1 8 . 1 1 34 34 ARG CB C 34 29.771 29.771 30.034 -0.263 19811 2686 1 8 . 1 1 34 34 ARG H H 34 7.922 7.922 7.873 0.049 19811 2687 1 8 . 1 1 35 35 LEU N N 35 115.523 115.523 118.209 -2.686 19811 2688 1 8 . 1 1 35 35 LEU HA H 35 4.426 4.426 4.457 -0.031 19811 2689 1 8 . 1 1 35 35 LEU CA C 35 54.601 54.601 55.315 -0.714 19811 2690 1 8 . 1 1 35 35 LEU CB C 35 42.895 42.895 42.762 0.133 19811 2691 1 8 . 1 1 35 35 LEU H H 35 7.999 7.999 7.548 0.451 19811 2692 1 8 . 1 1 36 36 GLY N N 36 110.277 110.277 107.476 2.801 19811 2693 1 8 . 1 1 36 36 GLY CA C 36 46.906 46.906 45.367 1.539 19811 2694 1 8 . 1 1 36 36 GLY H H 36 7.864 7.864 7.968 -0.104 19811 2695 1 8 . 1 1 37 37 LEU N N 37 119.310 119.310 119.094 0.216 19811 2696 1 8 . 1 1 37 37 LEU HA H 37 4.691 4.691 4.779 -0.088 19811 2697 1 8 . 1 1 37 37 LEU CA C 37 52.642 52.642 53.031 -0.389 19811 2698 1 8 . 1 1 37 37 LEU CB C 37 45.355 45.355 44.894 0.461 19811 2699 1 8 . 1 1 37 37 LEU H H 37 8.025 8.025 7.978 0.047 19811 2700 1 8 . 1 1 38 38 SER N N 38 115.906 115.906 115.492 0.414 19811 2701 1 8 . 1 1 38 38 SER HA H 38 4.955 4.955 4.912 0.043 19811 2702 1 8 . 1 1 38 38 SER CA C 38 55.376 55.376 54.924 0.452 19811 2703 1 8 . 1 1 38 38 SER CB C 38 63.732 63.732 64.157 -0.425 19811 2704 1 8 . 1 1 38 38 SER H H 38 8.662 8.662 8.305 0.357 19811 2705 1 8 . 1 1 39 39 PRO HA H 39 3.976 3.976 4.383 -0.407 19811 2706 1 8 . 1 1 39 39 PRO CA C 39 65.434 65.434 64.180 1.254 19811 2707 1 8 . 1 1 39 39 PRO CB C 39 31.527 31.527 31.991 -0.463 19811 2708 1 8 . 1 1 40 40 GLU N N 40 115.609 115.609 115.119 0.490 19811 2709 1 8 . 1 1 40 40 GLU HA H 40 4.115 4.115 4.183 -0.068 19811 2710 1 8 . 1 1 40 40 GLU CA C 40 57.861 57.861 57.515 0.346 19811 2711 1 8 . 1 1 40 40 GLU CB C 40 28.842 28.842 29.717 -0.875 19811 2712 1 8 . 1 1 40 40 GLU H H 40 8.455 8.455 7.622 0.833 19811 2713 1 8 . 1 1 41 41 ASP N N 41 118.239 118.239 117.666 0.573 19811 2714 1 8 . 1 1 41 41 ASP HA H 41 4.711 4.711 4.745 -0.034 19811 2715 1 8 . 1 1 41 41 ASP CA C 41 54.862 54.862 56.154 -1.292 19811 2716 1 8 . 1 1 41 41 ASP CB C 41 41.920 41.920 42.787 -0.867 19811 2717 1 8 . 1 1 41 41 ASP H H 41 7.814 7.814 7.742 0.072 19811 2718 1 8 . 1 1 42 42 ILE N N 42 116.579 116.579 119.138 -2.559 19811 2719 1 8 . 1 1 42 42 ILE HA H 42 4.305 4.305 4.237 0.068 19811 2720 1 8 . 1 1 42 42 ILE CA C 42 60.232 60.232 61.316 -1.084 19811 2721 1 8 . 1 1 42 42 ILE CB C 42 39.070 39.070 38.575 0.495 19811 2722 1 8 . 1 1 42 42 ILE H H 42 7.069 7.069 7.286 -0.217 19811 2723 1 8 . 1 1 43 43 LYS N N 43 128.374 128.374 126.341 2.033 19811 2724 1 8 . 1 1 43 43 LYS HA H 43 4.489 4.489 4.704 -0.215 19811 2725 1 8 . 1 1 43 43 LYS CA C 43 54.924 54.924 54.556 0.367 19811 2726 1 8 . 1 1 43 43 LYS CB C 43 35.322 35.322 35.939 -0.617 19811 2727 1 8 . 1 1 43 43 LYS H H 43 8.709 8.709 8.263 0.446 19811 2728 1 8 . 1 1 44 44 LEU N N 44 126.700 126.700 126.902 -0.202 19811 2729 1 8 . 1 1 44 44 LEU HA H 44 5.368 5.368 4.485 0.883 19811 2730 1 8 . 1 1 44 44 LEU CA C 44 52.839 52.839 55.158 -2.319 19811 2731 1 8 . 1 1 44 44 LEU CB C 44 44.529 44.529 43.074 1.456 19811 2732 1 8 . 1 1 44 44 LEU H H 44 8.929 8.929 8.736 0.193 19811 2733 1 8 . 1 1 45 45 THR N N 45 112.945 112.945 119.881 -6.936 19811 2734 1 8 . 1 1 45 45 THR HA H 45 5.282 5.282 5.015 0.267 19811 2735 1 8 . 1 1 45 45 THR CA C 45 59.240 59.240 61.163 -1.923 19811 2736 1 8 . 1 1 45 45 THR CB C 45 72.146 72.146 70.114 2.032 19811 2737 1 8 . 1 1 45 45 THR H H 45 8.846 8.846 8.283 0.563 19811 2738 1 8 . 1 1 46 46 HIS N N 46 120.347 120.347 125.402 -5.055 19811 2739 1 8 . 1 1 46 46 HIS HA H 46 4.956 4.956 4.856 0.100 19811 2740 1 8 . 1 1 46 46 HIS CA C 46 55.757 55.757 55.351 0.406 19811 2741 1 8 . 1 1 46 46 HIS CB C 46 34.673 34.673 32.492 2.181 19811 2742 1 8 . 1 1 46 46 HIS H H 46 8.620 8.620 9.173 -0.553 19811 2743 1 8 . 1 1 47 47 ASN N N 47 128.187 128.187 125.735 2.452 19811 2744 1 8 . 1 1 47 47 ASN HA H 47 4.178 4.178 4.249 -0.071 19811 2745 1 8 . 1 1 47 47 ASN CA C 47 53.481 53.481 53.825 -0.344 19811 2746 1 8 . 1 1 47 47 ASN CB C 47 36.888 36.888 37.956 -1.068 19811 2747 1 8 . 1 1 47 47 ASN H H 47 9.136 9.136 9.085 0.051 19811 2748 1 8 . 1 1 48 48 GLY N N 48 103.028 103.028 103.325 -0.297 19811 2749 1 8 . 1 1 48 48 GLY CA C 48 45.279 45.279 45.024 0.255 19811 2750 1 8 . 1 1 48 48 GLY H H 48 8.633 8.633 8.509 0.124 19811 2751 1 8 . 1 1 49 49 LYS N N 49 121.730 121.730 122.723 -0.993 19811 2752 1 8 . 1 1 49 49 LYS HA H 49 4.572 4.572 4.652 -0.080 19811 2753 1 8 . 1 1 49 49 LYS CA C 49 54.677 54.677 55.225 -0.548 19811 2754 1 8 . 1 1 49 49 LYS CB C 49 33.823 33.823 33.873 -0.050 19811 2755 1 8 . 1 1 49 49 LYS H H 49 7.790 7.790 7.694 0.096 19811 2756 1 8 . 1 1 50 50 THR N N 50 121.190 121.190 114.615 6.575 19811 2757 1 8 . 1 1 50 50 THR HA H 50 4.254 4.254 5.068 -0.814 19811 2758 1 8 . 1 1 50 50 THR CA C 50 63.304 63.304 60.650 2.654 19811 2759 1 8 . 1 1 50 50 THR CB C 50 68.732 68.732 69.997 -1.265 19811 2760 1 8 . 1 1 50 50 THR H H 50 8.735 8.735 8.379 0.356 19811 2761 1 8 . 1 1 51 51 LEU N N 51 127.406 127.406 123.354 4.052 19811 2762 1 8 . 1 1 51 51 LEU HA H 51 3.973 3.973 4.153 -0.180 19811 2763 1 8 . 1 1 51 51 LEU CA C 51 54.125 54.125 54.275 -0.150 19811 2764 1 8 . 1 1 51 51 LEU CB C 51 41.715 41.715 42.981 -1.266 19811 2765 1 8 . 1 1 51 51 LEU H H 51 8.586 8.586 8.183 0.403 19811 2766 1 8 . 1 1 52 52 ASP N N 52 126.711 126.711 125.229 1.482 19811 2767 1 8 . 1 1 52 52 ASP HA H 52 4.840 4.840 4.946 -0.106 19811 2768 1 8 . 1 1 52 52 ASP CA C 52 51.377 51.377 52.275 -0.898 19811 2769 1 8 . 1 1 52 52 ASP CB C 52 43.019 43.019 42.431 0.588 19811 2770 1 8 . 1 1 52 52 ASP H H 52 8.974 8.974 7.970 1.004 19811 2771 1 8 . 1 1 53 53 PRO HA H 53 4.095 4.095 4.463 -0.368 19811 2772 1 8 . 1 1 53 53 PRO CA C 53 64.240 64.240 64.466 -0.226 19811 2773 1 8 . 1 1 53 53 PRO CB C 53 33.077 33.077 32.240 0.837 19811 2774 1 8 . 1 1 54 54 SER N N 54 110.024 110.024 113.034 -3.010 19811 2775 1 8 . 1 1 54 54 SER HA H 54 4.330 4.330 4.333 -0.003 19811 2776 1 8 . 1 1 54 54 SER CA C 54 59.971 59.971 59.720 0.251 19811 2777 1 8 . 1 1 54 54 SER CB C 54 63.881 63.881 63.229 0.652 19811 2778 1 8 . 1 1 54 54 SER H H 54 8.643 8.643 8.438 0.205 19811 2779 1 8 . 1 1 55 55 LEU N N 55 123.514 123.514 119.699 3.815 19811 2780 1 8 . 1 1 55 55 LEU HA H 55 4.645 4.645 4.533 0.112 19811 2781 1 8 . 1 1 55 55 LEU CA C 55 50.579 50.579 53.888 -3.309 19811 2782 1 8 . 1 1 55 55 LEU CB C 55 43.928 43.928 43.833 0.095 19811 2783 1 8 . 1 1 55 55 LEU H H 55 7.722 7.722 7.399 0.323 19811 2784 1 8 . 1 1 56 56 THR N N 56 107.845 107.845 109.317 -1.472 19811 2785 1 8 . 1 1 56 56 THR HA H 56 4.921 4.921 4.563 0.358 19811 2786 1 8 . 1 1 56 56 THR CA C 56 60.266 60.266 61.230 -0.964 19811 2787 1 8 . 1 1 56 56 THR CB C 56 71.553 71.553 70.931 0.622 19811 2788 1 8 . 1 1 56 56 THR H H 56 8.335 8.335 8.131 0.204 19811 2789 1 8 . 1 1 57 57 LEU N N 57 118.354 118.354 120.120 -1.766 19811 2790 1 8 . 1 1 57 57 LEU HA H 57 3.992 3.992 4.592 -0.600 19811 2791 1 8 . 1 1 57 57 LEU CA C 57 58.658 58.658 56.983 1.675 19811 2792 1 8 . 1 1 57 57 LEU CB C 57 39.774 39.774 42.530 -2.756 19811 2793 1 8 . 1 1 57 57 LEU H H 57 8.117 8.117 8.864 -0.747 19811 2794 1 8 . 1 1 58 58 ALA N N 58 120.467 120.467 118.454 2.013 19811 2795 1 8 . 1 1 58 58 ALA HA H 58 4.075 4.075 4.209 -0.134 19811 2796 1 8 . 1 1 58 58 ALA CA C 58 55.047 55.047 53.974 1.073 19811 2797 1 8 . 1 1 58 58 ALA CB C 58 18.267 18.267 18.397 -0.130 19811 2798 1 8 . 1 1 58 58 ALA H H 58 8.730 8.730 8.360 0.370 19811 2799 1 8 . 1 1 59 59 GLU N N 59 119.907 119.907 117.690 2.217 19811 2800 1 8 . 1 1 59 59 GLU HA H 59 3.935 3.935 4.208 -0.273 19811 2801 1 8 . 1 1 59 59 GLU CA C 59 58.914 58.914 57.628 1.286 19811 2802 1 8 . 1 1 59 59 GLU CB C 59 29.623 29.623 29.808 -0.185 19811 2803 1 8 . 1 1 59 59 GLU H H 59 7.890 7.890 8.408 -0.518 19811 2804 1 8 . 1 1 60 60 TYR N N 60 116.582 116.582 118.594 -2.012 19811 2805 1 8 . 1 1 60 60 TYR HA H 60 4.554 4.554 4.448 0.106 19811 2806 1 8 . 1 1 60 60 TYR CA C 60 59.463 59.463 58.836 0.627 19811 2807 1 8 . 1 1 60 60 TYR CB C 60 40.288 40.288 39.202 1.086 19811 2808 1 8 . 1 1 60 60 TYR H H 60 7.448 7.448 7.636 -0.188 19811 2809 1 8 . 1 1 61 61 GLY N N 61 109.141 109.141 107.921 1.220 19811 2810 1 8 . 1 1 61 61 GLY CA C 61 46.380 46.380 45.110 1.270 19811 2811 1 8 . 1 1 61 61 GLY H H 61 8.067 8.067 8.047 0.020 19811 2812 1 8 . 1 1 62 62 ILE N N 62 120.506 120.506 120.920 -0.414 19811 2813 1 8 . 1 1 62 62 ILE HA H 62 3.614 3.614 4.431 -0.817 19811 2814 1 8 . 1 1 62 62 ILE CA C 62 61.392 61.392 60.965 0.427 19811 2815 1 8 . 1 1 62 62 ILE CB C 62 36.445 36.445 38.663 -2.218 19811 2816 1 8 . 1 1 62 62 ILE H H 62 7.416 7.416 7.595 -0.179 19811 2817 1 8 . 1 1 63 63 THR N N 63 117.984 117.984 118.691 -0.707 19811 2818 1 8 . 1 1 63 63 THR HA H 63 4.528 4.528 4.910 -0.382 19811 2819 1 8 . 1 1 63 63 THR CA C 63 58.942 58.942 58.374 0.568 19811 2820 1 8 . 1 1 63 63 THR CB C 63 68.304 68.304 69.695 -1.391 19811 2821 1 8 . 1 1 63 63 THR H H 63 7.408 7.408 8.223 -0.815 19811 2822 1 8 . 1 1 64 64 PRO HA H 64 4.237 4.237 4.310 -0.073 19811 2823 1 8 . 1 1 64 64 PRO CA C 64 64.568 64.568 62.761 1.807 19811 2824 1 8 . 1 1 64 64 PRO CB C 64 31.861 31.861 31.830 0.031 19811 2825 1 8 . 1 1 65 65 GLY N N 65 112.539 112.539 110.580 1.959 19811 2826 1 8 . 1 1 65 65 GLY CA C 65 44.719 44.719 45.140 -0.421 19811 2827 1 8 . 1 1 65 65 GLY H H 65 9.286 9.286 8.675 0.611 19811 2828 1 8 . 1 1 66 66 SER N N 66 116.523 116.523 116.514 0.009 19811 2829 1 8 . 1 1 66 66 SER HA H 66 4.535 4.535 4.832 -0.297 19811 2830 1 8 . 1 1 66 66 SER CA C 66 60.415 60.415 57.114 3.301 19811 2831 1 8 . 1 1 66 66 SER CB C 66 64.604 64.604 65.544 -0.940 19811 2832 1 8 . 1 1 66 66 SER H H 66 7.822 7.822 7.914 -0.092 19811 2833 1 8 . 1 1 67 67 THR N N 67 118.238 118.238 115.167 3.071 19811 2834 1 8 . 1 1 67 67 THR HA H 67 5.342 5.342 4.431 0.911 19811 2835 1 8 . 1 1 67 67 THR CA C 67 62.059 62.059 61.607 0.452 19811 2836 1 8 . 1 1 67 67 THR CB C 67 70.858 70.858 69.502 1.356 19811 2837 1 8 . 1 1 67 67 THR H H 67 8.715 8.715 8.358 0.357 19811 2838 1 8 . 1 1 68 68 ILE N N 68 126.891 126.891 127.355 -0.464 19811 2839 1 8 . 1 1 68 68 ILE HA H 68 4.761 4.761 4.464 0.297 19811 2840 1 8 . 1 1 68 68 ILE CA C 68 59.434 59.434 60.535 -1.101 19811 2841 1 8 . 1 1 68 68 ILE CB C 68 40.783 40.783 40.814 -0.031 19811 2842 1 8 . 1 1 68 68 ILE H H 68 9.097 9.097 8.103 0.994 19811 2843 1 8 . 1 1 69 69 THR N N 69 120.333 120.333 121.531 -1.198 19811 2844 1 8 . 1 1 69 69 THR HA H 69 4.566 4.566 5.036 -0.470 19811 2845 1 8 . 1 1 69 69 THR CA C 69 63.014 63.014 61.458 1.556 19811 2846 1 8 . 1 1 69 69 THR CB C 69 70.043 70.043 70.027 0.016 19811 2847 1 8 . 1 1 69 69 THR H H 69 8.903 8.903 8.228 0.675 19811 2848 1 8 . 1 1 70 70 LEU N N 70 126.490 126.490 123.455 3.035 19811 2849 1 8 . 1 1 70 70 LEU HA H 70 4.984 4.984 5.424 -0.440 19811 2850 1 8 . 1 1 70 70 LEU CA C 70 54.088 54.088 53.205 0.883 19811 2851 1 8 . 1 1 70 70 LEU CB C 70 44.772 44.772 43.898 0.874 19811 2852 1 8 . 1 1 70 70 LEU H H 70 8.191 8.191 7.841 0.350 19811 2853 1 8 . 1 1 71 71 GLU N N 71 125.912 125.912 120.165 5.747 19811 2854 1 8 . 1 1 71 71 GLU HA H 71 4.505 4.505 4.678 -0.173 19811 2855 1 8 . 1 1 71 71 GLU CA C 71 54.828 54.828 55.462 -0.634 19811 2856 1 8 . 1 1 71 71 GLU CB C 71 33.391 33.391 33.347 0.044 19811 2857 1 8 . 1 1 71 71 GLU H H 71 9.089 9.089 8.431 0.658 19811 2858 1 8 . 1 1 72 72 ILE N N 72 123.229 123.229 122.999 0.230 19811 2859 1 8 . 1 1 72 72 ILE HA H 72 4.570 4.570 4.724 -0.154 19811 2860 1 8 . 1 1 72 72 ILE CA C 72 59.629 59.629 59.860 -0.231 19811 2861 1 8 . 1 1 72 72 ILE CB C 72 38.376 38.376 39.731 -1.355 19811 2862 1 8 . 1 1 72 72 ILE H H 72 8.526 8.526 8.481 0.045 19811 2863 1 8 . 1 1 73 73 LYS N N 73 129.392 129.392 126.957 2.435 19811 2864 1 8 . 1 1 73 73 LYS HA H 73 4.178 4.178 4.447 -0.269 19811 2865 1 8 . 1 1 73 73 LYS CA C 73 56.564 56.564 55.977 0.587 19811 2866 1 8 . 1 1 73 73 LYS CB C 73 33.320 33.320 33.237 0.083 19811 2867 1 8 . 1 1 73 73 LYS H H 73 8.837 8.837 8.393 0.444 19811 2868 1 8 . 1 1 74 74 LYS N N 74 123.476 123.476 122.185 1.291 19811 2869 1 8 . 1 1 74 74 LYS HA H 74 4.255 4.255 4.450 -0.195 19811 2870 1 8 . 1 1 74 74 LYS CA C 74 56.000 56.000 55.695 0.305 19811 2871 1 8 . 1 1 74 74 LYS CB C 74 33.223 33.223 33.703 -0.480 19811 2872 1 8 . 1 1 74 74 LYS H H 74 8.266 8.266 8.390 -0.124 19811 2873 1 8 . 1 1 75 75 LYS N N 75 124.450 124.450 121.164 3.286 19811 2874 1 8 . 1 1 75 75 LYS HA H 75 4.245 4.245 4.430 -0.185 19811 2875 1 8 . 1 1 75 75 LYS CA C 75 56.677 56.677 56.372 0.305 19811 2876 1 8 . 1 1 75 75 LYS CB C 75 32.876 32.876 32.874 0.002 19811 2877 1 8 . 1 1 75 75 LYS H H 75 8.572 8.572 8.376 0.196 19811 2878 1 8 . 1 1 76 76 GLY N N 76 110.666 110.666 110.340 0.326 19811 2879 1 8 . 1 1 76 76 GLY CA C 76 45.330 45.330 45.426 -0.096 19811 2880 1 8 . 1 1 76 76 GLY H H 76 8.549 8.549 8.755 -0.206 19811 2881 1 8 . 1 1 77 77 GLY N N 77 108.740 108.740 108.610 0.130 19811 2882 1 8 . 1 1 77 77 GLY CA C 77 45.300 45.300 45.487 -0.187 19811 2883 1 8 . 1 1 77 77 GLY H H 77 8.332 8.332 7.941 0.391 19811 2884 1 8 . 1 1 78 78 LEU N N 78 121.371 121.371 119.431 1.940 19811 2885 1 8 . 1 1 78 78 LEU HA H 78 4.263 4.263 4.685 -0.422 19811 2886 1 8 . 1 1 78 78 LEU CA C 78 55.127 55.127 55.266 -0.139 19811 2887 1 8 . 1 1 78 78 LEU CB C 78 42.290 42.290 43.173 -0.883 19811 2888 1 8 . 1 1 78 78 LEU H H 78 8.165 8.165 8.206 -0.041 19811 2889 1 9 . 1 1 2 2 ASP N N 2 121.707 121.707 116.797 4.910 19811 2890 1 9 . 1 1 2 2 ASP HA H 2 4.798 4.798 4.878 -0.080 19811 2891 1 9 . 1 1 2 2 ASP CA C 2 54.249 54.249 54.328 -0.079 19811 2892 1 9 . 1 1 2 2 ASP CB C 2 42.163 42.163 43.494 -1.331 19811 2893 1 9 . 1 1 2 2 ASP H H 2 8.479 8.479 8.293 0.186 19811 2894 1 9 . 1 1 3 3 THR N N 3 109.876 109.876 112.166 -2.290 19811 2895 1 9 . 1 1 3 3 THR HA H 3 5.324 5.324 5.289 0.035 19811 2896 1 9 . 1 1 3 3 THR CA C 3 59.553 59.553 60.537 -0.984 19811 2897 1 9 . 1 1 3 3 THR CB C 3 72.235 72.235 70.835 1.400 19811 2898 1 9 . 1 1 3 3 THR H H 3 7.857 7.857 7.565 0.292 19811 2899 1 9 . 1 1 4 4 ILE N N 4 115.792 115.792 115.994 -0.202 19811 2900 1 9 . 1 1 4 4 ILE HA H 4 4.464 4.464 4.608 -0.144 19811 2901 1 9 . 1 1 4 4 ILE CA C 4 59.314 59.314 59.184 0.130 19811 2902 1 9 . 1 1 4 4 ILE CB C 4 41.940 41.940 41.361 0.579 19811 2903 1 9 . 1 1 4 4 ILE H H 4 8.665 8.665 8.912 -0.247 19811 2904 1 9 . 1 1 5 5 ASN N N 5 119.913 119.913 119.793 0.120 19811 2905 1 9 . 1 1 5 5 ASN HA H 5 5.438 5.438 5.729 -0.291 19811 2906 1 9 . 1 1 5 5 ASN CA C 5 51.594 51.594 51.548 0.046 19811 2907 1 9 . 1 1 5 5 ASN CB C 5 41.031 41.031 41.068 -0.037 19811 2908 1 9 . 1 1 5 5 ASN H H 5 8.457 8.457 8.065 0.392 19811 2909 1 9 . 1 1 6 6 ILE N N 6 122.674 122.674 122.187 0.487 19811 2910 1 9 . 1 1 6 6 ILE HA H 6 5.035 5.035 4.448 0.587 19811 2911 1 9 . 1 1 6 6 ILE CA C 6 57.857 57.857 58.927 -1.070 19811 2912 1 9 . 1 1 6 6 ILE CB C 6 38.947 38.947 37.719 1.228 19811 2913 1 9 . 1 1 6 6 ILE H H 6 9.426 9.426 8.734 0.692 19811 2914 1 9 . 1 1 7 7 THR N N 7 124.398 124.398 123.834 0.564 19811 2915 1 9 . 1 1 7 7 THR HA H 7 4.512 4.512 4.635 -0.123 19811 2916 1 9 . 1 1 7 7 THR CA C 7 62.639 62.639 62.038 0.601 19811 2917 1 9 . 1 1 7 7 THR CB C 7 69.074 69.074 69.070 0.004 19811 2918 1 9 . 1 1 7 7 THR H H 7 9.152 9.152 8.538 0.614 19811 2919 1 9 . 1 1 8 8 LEU N N 8 127.909 127.909 126.659 1.250 19811 2920 1 9 . 1 1 8 8 LEU HA H 8 4.601 4.601 4.760 -0.159 19811 2921 1 9 . 1 1 8 8 LEU CA C 8 53.537 53.537 52.124 1.413 19811 2922 1 9 . 1 1 8 8 LEU CB C 8 39.928 39.928 43.219 -3.291 19811 2923 1 9 . 1 1 8 8 LEU H H 8 8.992 8.992 7.909 1.083 19811 2924 1 9 . 1 1 9 9 PRO HA H 9 4.419 4.419 4.416 0.003 19811 2925 1 9 . 1 1 9 9 PRO CA C 9 65.184 65.184 64.633 0.551 19811 2926 1 9 . 1 1 9 9 PRO CB C 9 31.999 31.999 31.754 0.245 19811 2927 1 9 . 1 1 10 10 ASP N N 10 113.521 113.521 117.347 -3.826 19811 2928 1 9 . 1 1 10 10 ASP HA H 10 4.490 4.490 4.645 -0.155 19811 2929 1 9 . 1 1 10 10 ASP CA C 10 53.129 53.129 54.513 -1.384 19811 2930 1 9 . 1 1 10 10 ASP CB C 10 39.986 39.986 41.037 -1.051 19811 2931 1 9 . 1 1 10 10 ASP H H 10 7.678 7.678 8.173 -0.495 19811 2932 1 9 . 1 1 11 11 GLY N N 11 108.658 108.658 106.954 1.704 19811 2933 1 9 . 1 1 11 11 GLY CA C 11 45.218 45.218 44.934 0.284 19811 2934 1 9 . 1 1 11 11 GLY H H 11 8.376 8.376 7.782 0.594 19811 2935 1 9 . 1 1 12 12 LYS N N 12 121.449 121.449 119.665 1.784 19811 2936 1 9 . 1 1 12 12 LYS HA H 12 4.331 4.331 4.613 -0.282 19811 2937 1 9 . 1 1 12 12 LYS CA C 12 56.660 56.660 55.475 1.185 19811 2938 1 9 . 1 1 12 12 LYS CB C 12 33.199 33.199 33.441 -0.242 19811 2939 1 9 . 1 1 12 12 LYS H H 12 7.766 7.766 7.764 0.002 19811 2940 1 9 . 1 1 13 13 THR N N 13 113.928 113.928 112.616 1.312 19811 2941 1 9 . 1 1 13 13 THR HA H 13 5.193 5.193 5.634 -0.441 19811 2942 1 9 . 1 1 13 13 THR CA C 13 61.734 61.734 60.221 1.513 19811 2943 1 9 . 1 1 13 13 THR CB C 13 71.481 71.481 71.105 0.376 19811 2944 1 9 . 1 1 13 13 THR H H 13 8.248 8.248 8.189 0.059 19811 2945 1 9 . 1 1 14 14 LEU N N 14 128.446 128.446 122.581 5.865 19811 2946 1 9 . 1 1 14 14 LEU HA H 14 4.739 4.739 4.796 -0.057 19811 2947 1 9 . 1 1 14 14 LEU CA C 14 53.403 53.403 53.889 -0.486 19811 2948 1 9 . 1 1 14 14 LEU CB C 14 45.480 45.480 45.995 -0.515 19811 2949 1 9 . 1 1 14 14 LEU H H 14 9.270 9.270 8.332 0.938 19811 2950 1 9 . 1 1 15 15 THR N N 15 123.048 123.048 118.252 4.796 19811 2951 1 9 . 1 1 15 15 THR HA H 15 5.191 5.191 5.201 -0.010 19811 2952 1 9 . 1 1 15 15 THR CA C 15 61.986 61.986 61.596 0.390 19811 2953 1 9 . 1 1 15 15 THR CB C 15 70.339 70.339 69.811 0.528 19811 2954 1 9 . 1 1 15 15 THR H H 15 8.759 8.759 8.238 0.521 19811 2955 1 9 . 1 1 16 16 LEU N N 16 125.874 125.874 128.525 -2.651 19811 2956 1 9 . 1 1 16 16 LEU HA H 16 4.770 4.770 4.847 -0.077 19811 2957 1 9 . 1 1 16 16 LEU CA C 16 53.222 53.222 52.855 0.367 19811 2958 1 9 . 1 1 16 16 LEU CB C 16 45.322 45.322 46.239 -0.917 19811 2959 1 9 . 1 1 16 16 LEU H H 16 8.551 8.551 8.746 -0.195 19811 2960 1 9 . 1 1 17 17 THR N N 17 117.080 117.080 117.810 -0.730 19811 2961 1 9 . 1 1 17 17 THR HA H 17 4.629 4.629 4.974 -0.345 19811 2962 1 9 . 1 1 17 17 THR CA C 17 61.950 61.950 61.349 0.602 19811 2963 1 9 . 1 1 17 17 THR CB C 17 69.202 69.202 69.605 -0.403 19811 2964 1 9 . 1 1 17 17 THR H H 17 8.342 8.342 8.021 0.321 19811 2965 1 9 . 1 1 18 18 VAL N N 18 116.699 116.699 121.705 -5.006 19811 2966 1 9 . 1 1 18 18 VAL HA H 18 3.910 3.910 4.391 -0.481 19811 2967 1 9 . 1 1 18 18 VAL CA C 18 58.565 58.565 59.612 -1.047 19811 2968 1 9 . 1 1 18 18 VAL CB C 18 35.910 35.910 33.639 2.271 19811 2969 1 9 . 1 1 18 18 VAL H H 18 8.131 8.131 8.377 -0.246 19811 2970 1 9 . 1 1 19 19 THR N N 19 110.389 110.389 112.143 -1.754 19811 2971 1 9 . 1 1 19 19 THR HA H 19 4.807 4.807 4.901 -0.094 19811 2972 1 9 . 1 1 19 19 THR CA C 19 58.916 58.916 59.104 -0.188 19811 2973 1 9 . 1 1 19 19 THR CB C 19 68.674 68.674 69.987 -1.313 19811 2974 1 9 . 1 1 19 19 THR H H 19 6.219 6.219 7.947 -1.728 19811 2975 1 9 . 1 1 20 20 PRO HA H 20 4.382 4.382 4.513 -0.131 19811 2976 1 9 . 1 1 20 20 PRO CA C 20 65.110 65.110 64.283 0.827 19811 2977 1 9 . 1 1 20 20 PRO CB C 20 31.996 31.996 32.068 -0.072 19811 2978 1 9 . 1 1 21 21 GLU N N 21 113.087 113.087 115.883 -2.796 19811 2979 1 9 . 1 1 21 21 GLU HA H 21 4.350 4.350 4.364 -0.014 19811 2980 1 9 . 1 1 21 21 GLU CA C 21 56.513 56.513 55.820 0.693 19811 2981 1 9 . 1 1 21 21 GLU CB C 21 29.153 29.153 29.972 -0.819 19811 2982 1 9 . 1 1 21 21 GLU H H 21 7.960 7.960 8.296 -0.336 19811 2983 1 9 . 1 1 22 22 PHE N N 22 123.828 123.828 120.311 3.517 19811 2984 1 9 . 1 1 22 22 PHE HA H 22 4.518 4.518 4.742 -0.224 19811 2985 1 9 . 1 1 22 22 PHE CA C 22 58.778 58.778 58.474 0.304 19811 2986 1 9 . 1 1 22 22 PHE CB C 22 40.224 40.224 40.463 -0.239 19811 2987 1 9 . 1 1 22 22 PHE H H 22 7.724 7.724 7.573 0.151 19811 2988 1 9 . 1 1 23 23 THR N N 23 114.031 114.031 113.322 0.709 19811 2989 1 9 . 1 1 23 23 THR HA H 23 4.791 4.791 4.488 0.303 19811 2990 1 9 . 1 1 23 23 THR CA C 23 60.340 60.340 60.535 -0.195 19811 2991 1 9 . 1 1 23 23 THR CB C 23 71.791 71.791 71.113 0.678 19811 2992 1 9 . 1 1 23 23 THR H H 23 8.504 8.504 7.949 0.555 19811 2993 1 9 . 1 1 24 24 VAL N N 24 122.541 122.541 121.014 1.527 19811 2994 1 9 . 1 1 24 24 VAL HA H 24 3.427 3.427 3.732 -0.305 19811 2995 1 9 . 1 1 24 24 VAL CA C 24 66.745 66.745 66.805 -0.059 19811 2996 1 9 . 1 1 24 24 VAL CB C 24 30.735 30.735 31.259 -0.524 19811 2997 1 9 . 1 1 24 24 VAL H H 24 8.918 8.918 8.326 0.592 19811 2998 1 9 . 1 1 25 25 LYS N N 25 121.079 121.079 119.102 1.977 19811 2999 1 9 . 1 1 25 25 LYS HA H 25 3.912 3.912 3.989 -0.077 19811 3000 1 9 . 1 1 25 25 LYS CA C 25 59.950 59.950 59.709 0.241 19811 3001 1 9 . 1 1 25 25 LYS CB C 25 32.824 32.824 32.233 0.591 19811 3002 1 9 . 1 1 25 25 LYS H H 25 8.622 8.622 8.197 0.425 19811 3003 1 9 . 1 1 26 26 GLU N N 26 118.646 118.646 120.786 -2.140 19811 3004 1 9 . 1 1 26 26 GLU HA H 26 3.859 3.859 4.366 -0.507 19811 3005 1 9 . 1 1 26 26 GLU CA C 26 59.012 59.012 59.027 -0.015 19811 3006 1 9 . 1 1 26 26 GLU CB C 26 29.344 29.344 29.527 -0.183 19811 3007 1 9 . 1 1 26 26 GLU H H 26 7.734 7.734 7.520 0.214 19811 3008 1 9 . 1 1 27 27 LEU N N 27 122.155 122.155 120.092 2.063 19811 3009 1 9 . 1 1 27 27 LEU HA H 27 4.136 4.136 4.293 -0.157 19811 3010 1 9 . 1 1 27 27 LEU CA C 27 58.226 58.226 58.160 0.066 19811 3011 1 9 . 1 1 27 27 LEU CB C 27 41.986 41.986 42.154 -0.168 19811 3012 1 9 . 1 1 27 27 LEU H H 27 8.000 8.000 8.377 -0.377 19811 3013 1 9 . 1 1 28 28 ALA N N 28 121.362 121.362 120.197 1.165 19811 3014 1 9 . 1 1 28 28 ALA HA H 28 3.837 3.837 4.097 -0.260 19811 3015 1 9 . 1 1 28 28 ALA CA C 28 55.872 55.872 55.070 0.802 19811 3016 1 9 . 1 1 28 28 ALA CB C 28 17.902 17.902 18.310 -0.408 19811 3017 1 9 . 1 1 28 28 ALA H H 28 8.899 8.899 7.768 1.131 19811 3018 1 9 . 1 1 29 29 GLU N N 29 116.582 116.582 118.045 -1.463 19811 3019 1 9 . 1 1 29 29 GLU HA H 29 3.814 3.814 4.020 -0.206 19811 3020 1 9 . 1 1 29 29 GLU CA C 29 59.849 59.849 58.889 0.960 19811 3021 1 9 . 1 1 29 29 GLU CB C 29 29.185 29.185 29.161 0.024 19811 3022 1 9 . 1 1 29 29 GLU H H 29 8.437 8.437 7.954 0.483 19811 3023 1 9 . 1 1 30 30 GLU N N 30 121.430 121.430 119.920 1.510 19811 3024 1 9 . 1 1 30 30 GLU HA H 30 4.293 4.293 4.185 0.108 19811 3025 1 9 . 1 1 30 30 GLU CA C 30 58.829 58.829 59.105 -0.276 19811 3026 1 9 . 1 1 30 30 GLU CB C 30 28.720 28.720 29.633 -0.913 19811 3027 1 9 . 1 1 30 30 GLU H H 30 7.877 7.877 7.742 0.135 19811 3028 1 9 . 1 1 31 31 ILE N N 31 119.644 119.644 120.457 -0.813 19811 3029 1 9 . 1 1 31 31 ILE HA H 31 3.289 3.289 3.837 -0.548 19811 3030 1 9 . 1 1 31 31 ILE CA C 31 65.937 65.937 63.083 2.854 19811 3031 1 9 . 1 1 31 31 ILE CB C 31 38.338 38.338 38.100 0.238 19811 3032 1 9 . 1 1 31 31 ILE H H 31 8.438 8.438 7.387 1.051 19811 3033 1 9 . 1 1 32 32 ALA N N 32 120.190 120.190 121.812 -1.622 19811 3034 1 9 . 1 1 32 32 ALA HA H 32 3.637 3.637 3.987 -0.350 19811 3035 1 9 . 1 1 32 32 ALA CA C 32 56.071 56.071 55.106 0.965 19811 3036 1 9 . 1 1 32 32 ALA CB C 32 17.287 17.287 18.134 -0.847 19811 3037 1 9 . 1 1 32 32 ALA H H 32 8.609 8.609 7.849 0.760 19811 3038 1 9 . 1 1 33 33 ARG N N 33 116.846 116.846 117.410 -0.564 19811 3039 1 9 . 1 1 33 33 ARG HA H 33 4.085 4.085 4.072 0.013 19811 3040 1 9 . 1 1 33 33 ARG CA C 33 59.367 59.367 58.998 0.369 19811 3041 1 9 . 1 1 33 33 ARG CB C 33 30.575 30.575 30.415 0.160 19811 3042 1 9 . 1 1 33 33 ARG H H 33 7.817 7.817 7.656 0.161 19811 3043 1 9 . 1 1 34 34 ARG N N 34 118.212 118.212 118.183 0.029 19811 3044 1 9 . 1 1 34 34 ARG HA H 34 4.078 4.078 4.155 -0.077 19811 3045 1 9 . 1 1 34 34 ARG CA C 34 58.321 58.321 58.322 -0.001 19811 3046 1 9 . 1 1 34 34 ARG CB C 34 29.771 29.771 29.683 0.088 19811 3047 1 9 . 1 1 34 34 ARG H H 34 7.922 7.922 7.746 0.176 19811 3048 1 9 . 1 1 35 35 LEU N N 35 115.523 115.523 118.461 -2.938 19811 3049 1 9 . 1 1 35 35 LEU HA H 35 4.426 4.426 4.474 -0.048 19811 3050 1 9 . 1 1 35 35 LEU CA C 35 54.601 54.601 55.142 -0.541 19811 3051 1 9 . 1 1 35 35 LEU CB C 35 42.895 42.895 42.492 0.403 19811 3052 1 9 . 1 1 35 35 LEU H H 35 7.999 7.999 7.259 0.740 19811 3053 1 9 . 1 1 36 36 GLY N N 36 110.277 110.277 107.291 2.986 19811 3054 1 9 . 1 1 36 36 GLY CA C 36 46.906 46.906 45.446 1.460 19811 3055 1 9 . 1 1 36 36 GLY H H 36 7.864 7.864 7.709 0.155 19811 3056 1 9 . 1 1 37 37 LEU N N 37 119.310 119.310 116.367 2.943 19811 3057 1 9 . 1 1 37 37 LEU HA H 37 4.691 4.691 5.006 -0.315 19811 3058 1 9 . 1 1 37 37 LEU CA C 37 52.642 52.642 52.904 -0.262 19811 3059 1 9 . 1 1 37 37 LEU CB C 37 45.355 45.355 43.715 1.640 19811 3060 1 9 . 1 1 37 37 LEU H H 37 8.025 8.025 7.756 0.269 19811 3061 1 9 . 1 1 38 38 SER N N 38 115.906 115.906 113.196 2.710 19811 3062 1 9 . 1 1 38 38 SER HA H 38 4.955 4.955 4.842 0.113 19811 3063 1 9 . 1 1 38 38 SER CA C 38 55.376 55.376 56.422 -1.046 19811 3064 1 9 . 1 1 38 38 SER CB C 38 63.732 63.732 63.164 0.568 19811 3065 1 9 . 1 1 38 38 SER H H 38 8.662 8.662 8.294 0.368 19811 3066 1 9 . 1 1 39 39 PRO HA H 39 3.976 3.976 4.527 -0.551 19811 3067 1 9 . 1 1 39 39 PRO CA C 39 65.434 65.434 64.396 1.038 19811 3068 1 9 . 1 1 39 39 PRO CB C 39 31.527 31.527 31.993 -0.466 19811 3069 1 9 . 1 1 40 40 GLU N N 40 115.609 115.609 117.420 -1.811 19811 3070 1 9 . 1 1 40 40 GLU HA H 40 4.115 4.115 4.135 -0.020 19811 3071 1 9 . 1 1 40 40 GLU CA C 40 57.861 57.861 58.141 -0.280 19811 3072 1 9 . 1 1 40 40 GLU CB C 40 28.842 28.842 29.053 -0.211 19811 3073 1 9 . 1 1 40 40 GLU H H 40 8.455 8.455 8.370 0.085 19811 3074 1 9 . 1 1 41 41 ASP N N 41 118.239 118.239 116.452 1.787 19811 3075 1 9 . 1 1 41 41 ASP HA H 41 4.711 4.711 4.789 -0.078 19811 3076 1 9 . 1 1 41 41 ASP CA C 41 54.862 54.862 55.585 -0.723 19811 3077 1 9 . 1 1 41 41 ASP CB C 41 41.920 41.920 42.199 -0.279 19811 3078 1 9 . 1 1 41 41 ASP H H 41 7.814 7.814 7.646 0.168 19811 3079 1 9 . 1 1 42 42 ILE N N 42 116.579 116.579 118.887 -2.308 19811 3080 1 9 . 1 1 42 42 ILE HA H 42 4.305 4.305 4.848 -0.543 19811 3081 1 9 . 1 1 42 42 ILE CA C 42 60.232 60.232 60.609 -0.377 19811 3082 1 9 . 1 1 42 42 ILE CB C 42 39.070 39.070 38.917 0.153 19811 3083 1 9 . 1 1 42 42 ILE H H 42 7.069 7.069 7.180 -0.111 19811 3084 1 9 . 1 1 43 43 LYS N N 43 128.374 128.374 126.378 1.996 19811 3085 1 9 . 1 1 43 43 LYS HA H 43 4.489 4.489 4.651 -0.162 19811 3086 1 9 . 1 1 43 43 LYS CA C 43 54.924 54.924 54.846 0.078 19811 3087 1 9 . 1 1 43 43 LYS CB C 43 35.322 35.322 36.330 -1.008 19811 3088 1 9 . 1 1 43 43 LYS H H 43 8.709 8.709 8.790 -0.081 19811 3089 1 9 . 1 1 44 44 LEU N N 44 126.700 126.700 127.557 -0.857 19811 3090 1 9 . 1 1 44 44 LEU HA H 44 5.368 5.368 4.601 0.767 19811 3091 1 9 . 1 1 44 44 LEU CA C 44 52.839 52.839 54.912 -2.073 19811 3092 1 9 . 1 1 44 44 LEU CB C 44 44.529 44.529 42.387 2.142 19811 3093 1 9 . 1 1 44 44 LEU H H 44 8.929 8.929 8.980 -0.051 19811 3094 1 9 . 1 1 45 45 THR N N 45 112.945 112.945 121.015 -8.070 19811 3095 1 9 . 1 1 45 45 THR HA H 45 5.282 5.282 5.432 -0.150 19811 3096 1 9 . 1 1 45 45 THR CA C 45 59.240 59.240 60.858 -1.618 19811 3097 1 9 . 1 1 45 45 THR CB C 45 72.146 72.146 70.136 2.010 19811 3098 1 9 . 1 1 45 45 THR H H 45 8.846 8.846 8.513 0.333 19811 3099 1 9 . 1 1 46 46 HIS N N 46 120.347 120.347 123.328 -2.981 19811 3100 1 9 . 1 1 46 46 HIS HA H 46 4.956 4.956 4.973 -0.017 19811 3101 1 9 . 1 1 46 46 HIS CA C 46 55.757 55.757 53.983 1.774 19811 3102 1 9 . 1 1 46 46 HIS CB C 46 34.673 34.673 30.875 3.798 19811 3103 1 9 . 1 1 46 46 HIS H H 46 8.620 8.620 9.135 -0.515 19811 3104 1 9 . 1 1 47 47 ASN N N 47 128.187 128.187 125.369 2.818 19811 3105 1 9 . 1 1 47 47 ASN HA H 47 4.178 4.178 4.318 -0.140 19811 3106 1 9 . 1 1 47 47 ASN CA C 47 53.481 53.481 53.928 -0.447 19811 3107 1 9 . 1 1 47 47 ASN CB C 47 36.888 36.888 37.175 -0.287 19811 3108 1 9 . 1 1 47 47 ASN H H 47 9.136 9.136 9.301 -0.165 19811 3109 1 9 . 1 1 48 48 GLY N N 48 103.028 103.028 103.257 -0.229 19811 3110 1 9 . 1 1 48 48 GLY CA C 48 45.279 45.279 44.962 0.316 19811 3111 1 9 . 1 1 48 48 GLY H H 48 8.633 8.633 8.473 0.160 19811 3112 1 9 . 1 1 49 49 LYS N N 49 121.730 121.730 122.170 -0.440 19811 3113 1 9 . 1 1 49 49 LYS HA H 49 4.572 4.572 4.547 0.025 19811 3114 1 9 . 1 1 49 49 LYS CA C 49 54.677 54.677 55.097 -0.420 19811 3115 1 9 . 1 1 49 49 LYS CB C 49 33.823 33.823 33.896 -0.073 19811 3116 1 9 . 1 1 49 49 LYS H H 49 7.790 7.790 7.518 0.272 19811 3117 1 9 . 1 1 50 50 THR N N 50 121.190 121.190 113.410 7.780 19811 3118 1 9 . 1 1 50 50 THR HA H 50 4.254 4.254 5.117 -0.863 19811 3119 1 9 . 1 1 50 50 THR CA C 50 63.304 63.304 60.556 2.748 19811 3120 1 9 . 1 1 50 50 THR CB C 50 68.732 68.732 70.252 -1.520 19811 3121 1 9 . 1 1 50 50 THR H H 50 8.735 8.735 8.314 0.421 19811 3122 1 9 . 1 1 51 51 LEU N N 51 127.406 127.406 123.577 3.829 19811 3123 1 9 . 1 1 51 51 LEU HA H 51 3.973 3.973 4.194 -0.221 19811 3124 1 9 . 1 1 51 51 LEU CA C 51 54.125 54.125 53.762 0.363 19811 3125 1 9 . 1 1 51 51 LEU CB C 51 41.715 41.715 43.160 -1.445 19811 3126 1 9 . 1 1 51 51 LEU H H 51 8.586 8.586 8.371 0.215 19811 3127 1 9 . 1 1 52 52 ASP N N 52 126.711 126.711 125.110 1.601 19811 3128 1 9 . 1 1 52 52 ASP HA H 52 4.840 4.840 4.939 -0.099 19811 3129 1 9 . 1 1 52 52 ASP CA C 52 51.377 51.377 52.497 -1.120 19811 3130 1 9 . 1 1 52 52 ASP CB C 52 43.019 43.019 42.250 0.769 19811 3131 1 9 . 1 1 52 52 ASP H H 52 8.974 8.974 8.188 0.785 19811 3132 1 9 . 1 1 53 53 PRO HA H 53 4.095 4.095 4.496 -0.401 19811 3133 1 9 . 1 1 53 53 PRO CA C 53 64.240 64.240 64.308 -0.068 19811 3134 1 9 . 1 1 53 53 PRO CB C 53 33.077 33.077 32.285 0.792 19811 3135 1 9 . 1 1 54 54 SER N N 54 110.024 110.024 113.974 -3.950 19811 3136 1 9 . 1 1 54 54 SER HA H 54 4.330 4.330 4.300 0.030 19811 3137 1 9 . 1 1 54 54 SER CA C 54 59.971 59.971 59.908 0.063 19811 3138 1 9 . 1 1 54 54 SER CB C 54 63.881 63.881 63.112 0.769 19811 3139 1 9 . 1 1 54 54 SER H H 54 8.643 8.643 8.490 0.153 19811 3140 1 9 . 1 1 55 55 LEU N N 55 123.514 123.514 121.072 2.442 19811 3141 1 9 . 1 1 55 55 LEU HA H 55 4.645 4.645 4.562 0.083 19811 3142 1 9 . 1 1 55 55 LEU CA C 55 50.579 50.579 54.246 -3.667 19811 3143 1 9 . 1 1 55 55 LEU CB C 55 43.928 43.928 43.146 0.782 19811 3144 1 9 . 1 1 55 55 LEU H H 55 7.722 7.722 7.384 0.338 19811 3145 1 9 . 1 1 56 56 THR N N 56 107.845 107.845 109.287 -1.442 19811 3146 1 9 . 1 1 56 56 THR HA H 56 4.921 4.921 4.567 0.354 19811 3147 1 9 . 1 1 56 56 THR CA C 56 60.266 60.266 60.839 -0.573 19811 3148 1 9 . 1 1 56 56 THR CB C 56 71.553 71.553 70.134 1.419 19811 3149 1 9 . 1 1 56 56 THR H H 56 8.335 8.335 8.060 0.275 19811 3150 1 9 . 1 1 57 57 LEU N N 57 118.354 118.354 120.358 -2.004 19811 3151 1 9 . 1 1 57 57 LEU HA H 57 3.992 3.992 4.522 -0.530 19811 3152 1 9 . 1 1 57 57 LEU CA C 57 58.658 58.658 57.038 1.620 19811 3153 1 9 . 1 1 57 57 LEU CB C 57 39.774 39.774 42.263 -2.489 19811 3154 1 9 . 1 1 57 57 LEU H H 57 8.117 8.117 8.736 -0.619 19811 3155 1 9 . 1 1 58 58 ALA N N 58 120.467 120.467 118.773 1.694 19811 3156 1 9 . 1 1 58 58 ALA HA H 58 4.075 4.075 4.213 -0.138 19811 3157 1 9 . 1 1 58 58 ALA CA C 58 55.047 55.047 53.717 1.330 19811 3158 1 9 . 1 1 58 58 ALA CB C 58 18.267 18.267 18.471 -0.204 19811 3159 1 9 . 1 1 58 58 ALA H H 58 8.730 8.730 8.372 0.358 19811 3160 1 9 . 1 1 59 59 GLU N N 59 119.907 119.907 117.744 2.163 19811 3161 1 9 . 1 1 59 59 GLU HA H 59 3.935 3.935 4.182 -0.247 19811 3162 1 9 . 1 1 59 59 GLU CA C 59 58.914 58.914 57.530 1.384 19811 3163 1 9 . 1 1 59 59 GLU CB C 59 29.623 29.623 29.836 -0.213 19811 3164 1 9 . 1 1 59 59 GLU H H 59 7.890 7.890 8.391 -0.501 19811 3165 1 9 . 1 1 60 60 TYR N N 60 116.582 116.582 118.622 -2.040 19811 3166 1 9 . 1 1 60 60 TYR HA H 60 4.554 4.554 4.505 0.049 19811 3167 1 9 . 1 1 60 60 TYR CA C 60 59.463 59.463 58.607 0.856 19811 3168 1 9 . 1 1 60 60 TYR CB C 60 40.288 40.288 39.436 0.852 19811 3169 1 9 . 1 1 60 60 TYR H H 60 7.448 7.448 7.560 -0.112 19811 3170 1 9 . 1 1 61 61 GLY N N 61 109.141 109.141 108.398 0.743 19811 3171 1 9 . 1 1 61 61 GLY CA C 61 46.380 46.380 44.984 1.396 19811 3172 1 9 . 1 1 61 61 GLY H H 61 8.067 8.067 7.873 0.194 19811 3173 1 9 . 1 1 62 62 ILE N N 62 120.506 120.506 121.580 -1.074 19811 3174 1 9 . 1 1 62 62 ILE HA H 62 3.614 3.614 4.364 -0.750 19811 3175 1 9 . 1 1 62 62 ILE CA C 62 61.392 61.392 61.151 0.241 19811 3176 1 9 . 1 1 62 62 ILE CB C 62 36.445 36.445 38.903 -2.458 19811 3177 1 9 . 1 1 62 62 ILE H H 62 7.416 7.416 7.593 -0.177 19811 3178 1 9 . 1 1 63 63 THR N N 63 117.984 117.984 119.421 -1.437 19811 3179 1 9 . 1 1 63 63 THR HA H 63 4.528 4.528 4.844 -0.316 19811 3180 1 9 . 1 1 63 63 THR CA C 63 58.942 58.942 59.325 -0.383 19811 3181 1 9 . 1 1 63 63 THR CB C 63 68.304 68.304 69.182 -0.878 19811 3182 1 9 . 1 1 63 63 THR H H 63 7.408 7.408 8.196 -0.788 19811 3183 1 9 . 1 1 64 64 PRO HA H 64 4.237 4.237 4.278 -0.041 19811 3184 1 9 . 1 1 64 64 PRO CA C 64 64.568 64.568 62.715 1.853 19811 3185 1 9 . 1 1 64 64 PRO CB C 64 31.861 31.861 32.050 -0.189 19811 3186 1 9 . 1 1 65 65 GLY N N 65 112.539 112.539 110.041 2.498 19811 3187 1 9 . 1 1 65 65 GLY CA C 65 44.719 44.719 45.109 -0.390 19811 3188 1 9 . 1 1 65 65 GLY H H 65 9.286 9.286 8.365 0.921 19811 3189 1 9 . 1 1 66 66 SER N N 66 116.523 116.523 116.193 0.330 19811 3190 1 9 . 1 1 66 66 SER HA H 66 4.535 4.535 4.757 -0.222 19811 3191 1 9 . 1 1 66 66 SER CA C 66 60.415 60.415 56.217 4.198 19811 3192 1 9 . 1 1 66 66 SER CB C 66 64.604 64.604 64.616 -0.012 19811 3193 1 9 . 1 1 66 66 SER H H 66 7.822 7.822 7.877 -0.055 19811 3194 1 9 . 1 1 67 67 THR N N 67 118.238 118.238 115.899 2.339 19811 3195 1 9 . 1 1 67 67 THR HA H 67 5.342 5.342 4.466 0.876 19811 3196 1 9 . 1 1 67 67 THR CA C 67 62.059 62.059 61.511 0.548 19811 3197 1 9 . 1 1 67 67 THR CB C 67 70.858 70.858 69.242 1.616 19811 3198 1 9 . 1 1 67 67 THR H H 67 8.715 8.715 8.294 0.421 19811 3199 1 9 . 1 1 68 68 ILE N N 68 126.891 126.891 122.712 4.179 19811 3200 1 9 . 1 1 68 68 ILE HA H 68 4.761 4.761 4.566 0.195 19811 3201 1 9 . 1 1 68 68 ILE CA C 68 59.434 59.434 59.690 -0.256 19811 3202 1 9 . 1 1 68 68 ILE CB C 68 40.783 40.783 39.861 0.922 19811 3203 1 9 . 1 1 68 68 ILE H H 68 9.097 9.097 8.032 1.065 19811 3204 1 9 . 1 1 69 69 THR N N 69 120.333 120.333 117.010 3.323 19811 3205 1 9 . 1 1 69 69 THR HA H 69 4.566 4.566 4.776 -0.209 19811 3206 1 9 . 1 1 69 69 THR CA C 69 63.014 63.014 60.444 2.570 19811 3207 1 9 . 1 1 69 69 THR CB C 69 70.043 70.043 70.066 -0.023 19811 3208 1 9 . 1 1 69 69 THR H H 69 8.903 8.903 8.201 0.702 19811 3209 1 9 . 1 1 70 70 LEU N N 70 126.490 126.490 121.811 4.679 19811 3210 1 9 . 1 1 70 70 LEU HA H 70 4.984 4.984 5.424 -0.440 19811 3211 1 9 . 1 1 70 70 LEU CA C 70 54.088 54.088 53.427 0.661 19811 3212 1 9 . 1 1 70 70 LEU CB C 70 44.772 44.772 44.571 0.201 19811 3213 1 9 . 1 1 70 70 LEU H H 70 8.191 8.191 7.866 0.325 19811 3214 1 9 . 1 1 71 71 GLU N N 71 125.912 125.912 118.707 7.205 19811 3215 1 9 . 1 1 71 71 GLU HA H 71 4.505 4.505 4.653 -0.148 19811 3216 1 9 . 1 1 71 71 GLU CA C 71 54.828 54.828 54.674 0.154 19811 3217 1 9 . 1 1 71 71 GLU CB C 71 33.391 33.391 33.983 -0.592 19811 3218 1 9 . 1 1 71 71 GLU H H 71 9.089 9.089 8.351 0.738 19811 3219 1 9 . 1 1 72 72 ILE N N 72 123.229 123.229 121.491 1.738 19811 3220 1 9 . 1 1 72 72 ILE HA H 72 4.570 4.570 5.083 -0.513 19811 3221 1 9 . 1 1 72 72 ILE CA C 72 59.629 59.629 59.873 -0.244 19811 3222 1 9 . 1 1 72 72 ILE CB C 72 38.376 38.376 40.535 -2.159 19811 3223 1 9 . 1 1 72 72 ILE H H 72 8.526 8.526 8.548 -0.022 19811 3224 1 9 . 1 1 73 73 LYS N N 73 129.392 129.392 127.824 1.568 19811 3225 1 9 . 1 1 73 73 LYS HA H 73 4.178 4.178 4.576 -0.398 19811 3226 1 9 . 1 1 73 73 LYS CA C 73 56.564 56.564 55.398 1.167 19811 3227 1 9 . 1 1 73 73 LYS CB C 73 33.320 33.320 33.914 -0.594 19811 3228 1 9 . 1 1 73 73 LYS H H 73 8.837 8.837 8.207 0.630 19811 3229 1 9 . 1 1 74 74 LYS N N 74 123.476 123.476 121.240 2.236 19811 3230 1 9 . 1 1 74 74 LYS HA H 74 4.255 4.255 4.475 -0.220 19811 3231 1 9 . 1 1 74 74 LYS CA C 74 56.000 56.000 55.833 0.168 19811 3232 1 9 . 1 1 74 74 LYS CB C 74 33.223 33.223 33.733 -0.510 19811 3233 1 9 . 1 1 74 74 LYS H H 74 8.266 8.266 8.377 -0.111 19811 3234 1 9 . 1 1 75 75 LYS N N 75 124.450 124.450 120.759 3.691 19811 3235 1 9 . 1 1 75 75 LYS HA H 75 4.245 4.245 4.528 -0.283 19811 3236 1 9 . 1 1 75 75 LYS CA C 75 56.677 56.677 56.149 0.528 19811 3237 1 9 . 1 1 75 75 LYS CB C 75 32.876 32.876 33.190 -0.314 19811 3238 1 9 . 1 1 75 75 LYS H H 75 8.572 8.572 8.684 -0.112 19811 3239 1 9 . 1 1 76 76 GLY N N 76 110.666 110.666 107.434 3.232 19811 3240 1 9 . 1 1 76 76 GLY CA C 76 45.330 45.330 44.719 0.611 19811 3241 1 9 . 1 1 76 76 GLY H H 76 8.549 8.549 7.672 0.877 19811 3242 1 9 . 1 1 77 77 GLY N N 77 108.740 108.740 108.633 0.107 19811 3243 1 9 . 1 1 77 77 GLY CA C 77 45.300 45.300 44.831 0.469 19811 3244 1 9 . 1 1 77 77 GLY H H 77 8.332 8.332 8.078 0.254 19811 3245 1 9 . 1 1 78 78 LEU N N 78 121.371 121.371 121.537 -0.166 19811 3246 1 9 . 1 1 78 78 LEU HA H 78 4.263 4.263 4.780 -0.517 19811 3247 1 9 . 1 1 78 78 LEU CA C 78 55.127 55.127 55.126 0.001 19811 3248 1 9 . 1 1 78 78 LEU CB C 78 42.290 42.290 43.909 -1.619 19811 3249 1 9 . 1 1 78 78 LEU H H 78 8.165 8.165 8.118 0.047 19811 3250 1 10 . 1 1 2 2 ASP N N 2 121.707 121.707 116.612 5.095 19811 3251 1 10 . 1 1 2 2 ASP HA H 2 4.798 4.798 4.943 -0.145 19811 3252 1 10 . 1 1 2 2 ASP CA C 2 54.249 54.249 54.478 -0.229 19811 3253 1 10 . 1 1 2 2 ASP CB C 2 42.163 42.163 43.180 -1.017 19811 3254 1 10 . 1 1 2 2 ASP H H 2 8.479 8.479 8.277 0.202 19811 3255 1 10 . 1 1 3 3 THR N N 3 109.876 109.876 113.245 -3.369 19811 3256 1 10 . 1 1 3 3 THR HA H 3 5.324 5.324 5.313 0.011 19811 3257 1 10 . 1 1 3 3 THR CA C 3 59.553 59.553 60.619 -1.066 19811 3258 1 10 . 1 1 3 3 THR CB C 3 72.235 72.235 70.455 1.780 19811 3259 1 10 . 1 1 3 3 THR H H 3 7.857 7.857 7.647 0.210 19811 3260 1 10 . 1 1 4 4 ILE N N 4 115.792 115.792 116.115 -0.323 19811 3261 1 10 . 1 1 4 4 ILE HA H 4 4.464 4.464 4.610 -0.146 19811 3262 1 10 . 1 1 4 4 ILE CA C 4 59.314 59.314 59.474 -0.160 19811 3263 1 10 . 1 1 4 4 ILE CB C 4 41.940 41.940 41.356 0.584 19811 3264 1 10 . 1 1 4 4 ILE H H 4 8.665 8.665 8.801 -0.136 19811 3265 1 10 . 1 1 5 5 ASN N N 5 119.913 119.913 119.128 0.785 19811 3266 1 10 . 1 1 5 5 ASN HA H 5 5.438 5.438 5.891 -0.453 19811 3267 1 10 . 1 1 5 5 ASN CA C 5 51.594 51.594 51.484 0.110 19811 3268 1 10 . 1 1 5 5 ASN CB C 5 41.031 41.031 41.808 -0.777 19811 3269 1 10 . 1 1 5 5 ASN H H 5 8.457 8.457 8.080 0.377 19811 3270 1 10 . 1 1 6 6 ILE N N 6 122.674 122.674 122.191 0.483 19811 3271 1 10 . 1 1 6 6 ILE HA H 6 5.035 5.035 4.577 0.458 19811 3272 1 10 . 1 1 6 6 ILE CA C 6 57.857 57.857 60.909 -3.052 19811 3273 1 10 . 1 1 6 6 ILE CB C 6 38.947 38.947 40.729 -1.782 19811 3274 1 10 . 1 1 6 6 ILE H H 6 9.426 9.426 8.343 1.083 19811 3275 1 10 . 1 1 7 7 THR N N 7 124.398 124.398 123.560 0.838 19811 3276 1 10 . 1 1 7 7 THR HA H 7 4.512 4.512 4.707 -0.195 19811 3277 1 10 . 1 1 7 7 THR CA C 7 62.639 62.639 61.766 0.873 19811 3278 1 10 . 1 1 7 7 THR CB C 7 69.074 69.074 69.820 -0.747 19811 3279 1 10 . 1 1 7 7 THR H H 7 9.152 9.152 9.100 0.052 19811 3280 1 10 . 1 1 8 8 LEU N N 8 127.909 127.909 126.356 1.553 19811 3281 1 10 . 1 1 8 8 LEU HA H 8 4.601 4.601 4.716 -0.115 19811 3282 1 10 . 1 1 8 8 LEU CA C 8 53.537 53.537 51.863 1.674 19811 3283 1 10 . 1 1 8 8 LEU CB C 8 39.928 39.928 43.365 -3.437 19811 3284 1 10 . 1 1 8 8 LEU H H 8 8.992 8.992 8.014 0.978 19811 3285 1 10 . 1 1 9 9 PRO HA H 9 4.419 4.419 4.401 0.018 19811 3286 1 10 . 1 1 9 9 PRO CA C 9 65.184 65.184 64.727 0.457 19811 3287 1 10 . 1 1 9 9 PRO CB C 9 31.999 31.999 31.756 0.243 19811 3288 1 10 . 1 1 10 10 ASP N N 10 113.521 113.521 117.235 -3.714 19811 3289 1 10 . 1 1 10 10 ASP HA H 10 4.490 4.490 4.651 -0.161 19811 3290 1 10 . 1 1 10 10 ASP CA C 10 53.129 53.129 54.488 -1.359 19811 3291 1 10 . 1 1 10 10 ASP CB C 10 39.986 39.986 41.065 -1.079 19811 3292 1 10 . 1 1 10 10 ASP H H 10 7.678 7.678 8.165 -0.487 19811 3293 1 10 . 1 1 11 11 GLY N N 11 108.658 108.658 106.891 1.767 19811 3294 1 10 . 1 1 11 11 GLY CA C 11 45.218 45.218 44.914 0.304 19811 3295 1 10 . 1 1 11 11 GLY H H 11 8.376 8.376 7.680 0.696 19811 3296 1 10 . 1 1 12 12 LYS N N 12 121.449 121.449 119.498 1.951 19811 3297 1 10 . 1 1 12 12 LYS HA H 12 4.331 4.331 4.672 -0.341 19811 3298 1 10 . 1 1 12 12 LYS CA C 12 56.660 56.660 55.276 1.385 19811 3299 1 10 . 1 1 12 12 LYS CB C 12 33.199 33.199 33.635 -0.436 19811 3300 1 10 . 1 1 12 12 LYS H H 12 7.766 7.766 7.784 -0.018 19811 3301 1 10 . 1 1 13 13 THR N N 13 113.928 113.928 112.963 0.965 19811 3302 1 10 . 1 1 13 13 THR HA H 13 5.193 5.193 5.605 -0.412 19811 3303 1 10 . 1 1 13 13 THR CA C 13 61.734 61.734 60.220 1.514 19811 3304 1 10 . 1 1 13 13 THR CB C 13 71.481 71.481 71.058 0.423 19811 3305 1 10 . 1 1 13 13 THR H H 13 8.248 8.248 8.234 0.014 19811 3306 1 10 . 1 1 14 14 LEU N N 14 128.446 128.446 122.352 6.094 19811 3307 1 10 . 1 1 14 14 LEU HA H 14 4.739 4.739 4.767 -0.028 19811 3308 1 10 . 1 1 14 14 LEU CA C 14 53.403 53.403 54.009 -0.606 19811 3309 1 10 . 1 1 14 14 LEU CB C 14 45.480 45.480 45.901 -0.421 19811 3310 1 10 . 1 1 14 14 LEU H H 14 9.270 9.270 8.272 0.998 19811 3311 1 10 . 1 1 15 15 THR N N 15 123.048 123.048 118.416 4.632 19811 3312 1 10 . 1 1 15 15 THR HA H 15 5.191 5.191 5.308 -0.117 19811 3313 1 10 . 1 1 15 15 THR CA C 15 61.986 61.986 61.465 0.521 19811 3314 1 10 . 1 1 15 15 THR CB C 15 70.339 70.339 69.650 0.689 19811 3315 1 10 . 1 1 15 15 THR H H 15 8.759 8.759 8.229 0.530 19811 3316 1 10 . 1 1 16 16 LEU N N 16 125.874 125.874 128.474 -2.600 19811 3317 1 10 . 1 1 16 16 LEU HA H 16 4.770 4.770 4.835 -0.065 19811 3318 1 10 . 1 1 16 16 LEU CA C 16 53.222 53.222 53.337 -0.114 19811 3319 1 10 . 1 1 16 16 LEU CB C 16 45.322 45.322 46.561 -1.239 19811 3320 1 10 . 1 1 16 16 LEU H H 16 8.551 8.551 8.641 -0.090 19811 3321 1 10 . 1 1 17 17 THR N N 17 117.080 117.080 118.414 -1.334 19811 3322 1 10 . 1 1 17 17 THR HA H 17 4.629 4.629 4.978 -0.349 19811 3323 1 10 . 1 1 17 17 THR CA C 17 61.950 61.950 62.102 -0.152 19811 3324 1 10 . 1 1 17 17 THR CB C 17 69.202 69.202 69.826 -0.624 19811 3325 1 10 . 1 1 17 17 THR H H 17 8.342 8.342 8.496 -0.154 19811 3326 1 10 . 1 1 18 18 VAL N N 18 116.699 116.699 119.640 -2.941 19811 3327 1 10 . 1 1 18 18 VAL HA H 18 3.910 3.910 4.625 -0.715 19811 3328 1 10 . 1 1 18 18 VAL CA C 18 58.565 58.565 60.302 -1.737 19811 3329 1 10 . 1 1 18 18 VAL CB C 18 35.910 35.910 34.527 1.383 19811 3330 1 10 . 1 1 18 18 VAL H H 18 8.131 8.131 8.132 -0.001 19811 3331 1 10 . 1 1 19 19 THR N N 19 110.389 110.389 108.470 1.919 19811 3332 1 10 . 1 1 19 19 THR HA H 19 4.807 4.807 4.600 0.207 19811 3333 1 10 . 1 1 19 19 THR CA C 19 58.916 58.916 58.673 0.243 19811 3334 1 10 . 1 1 19 19 THR CB C 19 68.674 68.674 69.933 -1.259 19811 3335 1 10 . 1 1 19 19 THR H H 19 6.219 6.219 7.618 -1.399 19811 3336 1 10 . 1 1 20 20 PRO HA H 20 4.382 4.382 3.830 0.552 19811 3337 1 10 . 1 1 20 20 PRO CA C 20 65.110 65.110 64.533 0.577 19811 3338 1 10 . 1 1 20 20 PRO CB C 20 31.996 31.996 31.942 0.054 19811 3339 1 10 . 1 1 21 21 GLU N N 21 113.087 113.087 115.547 -2.460 19811 3340 1 10 . 1 1 21 21 GLU HA H 21 4.350 4.350 4.295 0.055 19811 3341 1 10 . 1 1 21 21 GLU CA C 21 56.513 56.513 55.571 0.943 19811 3342 1 10 . 1 1 21 21 GLU CB C 21 29.153 29.153 29.481 -0.328 19811 3343 1 10 . 1 1 21 21 GLU H H 21 7.960 7.960 8.007 -0.047 19811 3344 1 10 . 1 1 22 22 PHE N N 22 123.828 123.828 117.694 6.134 19811 3345 1 10 . 1 1 22 22 PHE HA H 22 4.518 4.518 4.844 -0.326 19811 3346 1 10 . 1 1 22 22 PHE CA C 22 58.778 58.778 54.341 4.437 19811 3347 1 10 . 1 1 22 22 PHE CB C 22 40.224 40.224 39.148 1.076 19811 3348 1 10 . 1 1 22 22 PHE H H 22 7.724 7.724 7.711 0.013 19811 3349 1 10 . 1 1 23 23 THR N N 23 114.031 114.031 110.270 3.761 19811 3350 1 10 . 1 1 23 23 THR HA H 23 4.791 4.791 4.473 0.318 19811 3351 1 10 . 1 1 23 23 THR CA C 23 60.340 60.340 60.020 0.320 19811 3352 1 10 . 1 1 23 23 THR CB C 23 71.791 71.791 72.573 -0.782 19811 3353 1 10 . 1 1 23 23 THR H H 23 8.504 8.504 7.853 0.651 19811 3354 1 10 . 1 1 24 24 VAL N N 24 122.541 122.541 120.631 1.910 19811 3355 1 10 . 1 1 24 24 VAL HA H 24 3.427 3.427 3.669 -0.242 19811 3356 1 10 . 1 1 24 24 VAL CA C 24 66.745 66.745 65.756 0.989 19811 3357 1 10 . 1 1 24 24 VAL CB C 24 30.735 30.735 30.907 -0.171 19811 3358 1 10 . 1 1 24 24 VAL H H 24 8.918 8.918 8.308 0.610 19811 3359 1 10 . 1 1 25 25 LYS N N 25 121.079 121.079 119.736 1.343 19811 3360 1 10 . 1 1 25 25 LYS HA H 25 3.912 3.912 3.967 -0.055 19811 3361 1 10 . 1 1 25 25 LYS CA C 25 59.950 59.950 59.336 0.614 19811 3362 1 10 . 1 1 25 25 LYS CB C 25 32.824 32.824 32.094 0.730 19811 3363 1 10 . 1 1 25 25 LYS H H 25 8.622 8.622 8.173 0.449 19811 3364 1 10 . 1 1 26 26 GLU N N 26 118.646 118.646 119.383 -0.737 19811 3365 1 10 . 1 1 26 26 GLU HA H 26 3.859 3.859 4.338 -0.479 19811 3366 1 10 . 1 1 26 26 GLU CA C 26 59.012 59.012 58.996 0.016 19811 3367 1 10 . 1 1 26 26 GLU CB C 26 29.344 29.344 29.495 -0.151 19811 3368 1 10 . 1 1 26 26 GLU H H 26 7.734 7.734 7.631 0.103 19811 3369 1 10 . 1 1 27 27 LEU N N 27 122.155 122.155 120.127 2.028 19811 3370 1 10 . 1 1 27 27 LEU HA H 27 4.136 4.136 4.198 -0.062 19811 3371 1 10 . 1 1 27 27 LEU CA C 27 58.226 58.226 57.517 0.709 19811 3372 1 10 . 1 1 27 27 LEU CB C 27 41.986 41.986 42.020 -0.034 19811 3373 1 10 . 1 1 27 27 LEU H H 27 8.000 8.000 7.439 0.561 19811 3374 1 10 . 1 1 28 28 ALA N N 28 121.362 121.362 120.527 0.835 19811 3375 1 10 . 1 1 28 28 ALA HA H 28 3.837 3.837 4.082 -0.245 19811 3376 1 10 . 1 1 28 28 ALA CA C 28 55.872 55.872 54.955 0.917 19811 3377 1 10 . 1 1 28 28 ALA CB C 28 17.902 17.902 18.346 -0.444 19811 3378 1 10 . 1 1 28 28 ALA H H 28 8.899 8.899 7.630 1.269 19811 3379 1 10 . 1 1 29 29 GLU N N 29 116.582 116.582 117.660 -1.078 19811 3380 1 10 . 1 1 29 29 GLU HA H 29 3.814 3.814 4.065 -0.251 19811 3381 1 10 . 1 1 29 29 GLU CA C 29 59.849 59.849 58.702 1.147 19811 3382 1 10 . 1 1 29 29 GLU CB C 29 29.185 29.185 29.287 -0.102 19811 3383 1 10 . 1 1 29 29 GLU H H 29 8.437 8.437 7.922 0.515 19811 3384 1 10 . 1 1 30 30 GLU N N 30 121.430 121.430 120.153 1.277 19811 3385 1 10 . 1 1 30 30 GLU HA H 30 4.293 4.293 4.147 0.146 19811 3386 1 10 . 1 1 30 30 GLU CA C 30 58.829 58.829 58.849 -0.020 19811 3387 1 10 . 1 1 30 30 GLU CB C 30 28.720 28.720 29.897 -1.177 19811 3388 1 10 . 1 1 30 30 GLU H H 30 7.877 7.877 7.739 0.138 19811 3389 1 10 . 1 1 31 31 ILE N N 31 119.644 119.644 119.803 -0.159 19811 3390 1 10 . 1 1 31 31 ILE HA H 31 3.289 3.289 3.910 -0.621 19811 3391 1 10 . 1 1 31 31 ILE CA C 31 65.937 65.937 62.941 2.996 19811 3392 1 10 . 1 1 31 31 ILE CB C 31 38.338 38.338 38.258 0.081 19811 3393 1 10 . 1 1 31 31 ILE H H 31 8.438 8.438 7.457 0.981 19811 3394 1 10 . 1 1 32 32 ALA N N 32 120.190 120.190 121.759 -1.569 19811 3395 1 10 . 1 1 32 32 ALA HA H 32 3.637 3.637 4.154 -0.517 19811 3396 1 10 . 1 1 32 32 ALA CA C 32 56.071 56.071 54.760 1.311 19811 3397 1 10 . 1 1 32 32 ALA CB C 32 17.287 17.287 18.252 -0.965 19811 3398 1 10 . 1 1 32 32 ALA H H 32 8.609 8.609 7.680 0.929 19811 3399 1 10 . 1 1 33 33 ARG N N 33 116.846 116.846 117.738 -0.892 19811 3400 1 10 . 1 1 33 33 ARG HA H 33 4.085 4.085 4.113 -0.028 19811 3401 1 10 . 1 1 33 33 ARG CA C 33 59.367 59.367 58.772 0.595 19811 3402 1 10 . 1 1 33 33 ARG CB C 33 30.575 30.575 30.362 0.213 19811 3403 1 10 . 1 1 33 33 ARG H H 33 7.817 7.817 7.654 0.163 19811 3404 1 10 . 1 1 34 34 ARG N N 34 118.212 118.212 117.657 0.555 19811 3405 1 10 . 1 1 34 34 ARG HA H 34 4.078 4.078 4.240 -0.162 19811 3406 1 10 . 1 1 34 34 ARG CA C 34 58.321 58.321 58.097 0.224 19811 3407 1 10 . 1 1 34 34 ARG CB C 34 29.771 29.771 30.302 -0.531 19811 3408 1 10 . 1 1 34 34 ARG H H 34 7.922 7.922 7.843 0.079 19811 3409 1 10 . 1 1 35 35 LEU N N 35 115.523 115.523 118.142 -2.619 19811 3410 1 10 . 1 1 35 35 LEU HA H 35 4.426 4.426 4.552 -0.126 19811 3411 1 10 . 1 1 35 35 LEU CA C 35 54.601 54.601 55.011 -0.410 19811 3412 1 10 . 1 1 35 35 LEU CB C 35 42.895 42.895 42.985 -0.090 19811 3413 1 10 . 1 1 35 35 LEU H H 35 7.999 7.999 7.541 0.458 19811 3414 1 10 . 1 1 36 36 GLY N N 36 110.277 110.277 107.872 2.405 19811 3415 1 10 . 1 1 36 36 GLY CA C 36 46.906 46.906 45.380 1.526 19811 3416 1 10 . 1 1 36 36 GLY H H 36 7.864 7.864 7.919 -0.055 19811 3417 1 10 . 1 1 37 37 LEU N N 37 119.310 119.310 118.955 0.355 19811 3418 1 10 . 1 1 37 37 LEU HA H 37 4.691 4.691 4.782 -0.091 19811 3419 1 10 . 1 1 37 37 LEU CA C 37 52.642 52.642 53.058 -0.416 19811 3420 1 10 . 1 1 37 37 LEU CB C 37 45.355 45.355 45.084 0.272 19811 3421 1 10 . 1 1 37 37 LEU H H 37 8.025 8.025 8.041 -0.016 19811 3422 1 10 . 1 1 38 38 SER N N 38 115.906 115.906 116.160 -0.254 19811 3423 1 10 . 1 1 38 38 SER HA H 38 4.955 4.955 4.874 0.081 19811 3424 1 10 . 1 1 38 38 SER CA C 38 55.376 55.376 55.775 -0.399 19811 3425 1 10 . 1 1 38 38 SER CB C 38 63.732 63.732 63.549 0.183 19811 3426 1 10 . 1 1 38 38 SER H H 38 8.662 8.662 8.335 0.327 19811 3427 1 10 . 1 1 39 39 PRO HA H 39 3.976 3.976 4.298 -0.322 19811 3428 1 10 . 1 1 39 39 PRO CA C 39 65.434 65.434 64.534 0.900 19811 3429 1 10 . 1 1 39 39 PRO CB C 39 31.527 31.527 32.030 -0.503 19811 3430 1 10 . 1 1 40 40 GLU N N 40 115.609 115.609 115.036 0.573 19811 3431 1 10 . 1 1 40 40 GLU HA H 40 4.115 4.115 4.165 -0.050 19811 3432 1 10 . 1 1 40 40 GLU CA C 40 57.861 57.861 57.380 0.481 19811 3433 1 10 . 1 1 40 40 GLU CB C 40 28.842 28.842 29.489 -0.647 19811 3434 1 10 . 1 1 40 40 GLU H H 40 8.455 8.455 8.244 0.211 19811 3435 1 10 . 1 1 41 41 ASP N N 41 118.239 118.239 117.293 0.946 19811 3436 1 10 . 1 1 41 41 ASP HA H 41 4.711 4.711 4.704 0.007 19811 3437 1 10 . 1 1 41 41 ASP CA C 41 54.862 54.862 56.030 -1.168 19811 3438 1 10 . 1 1 41 41 ASP CB C 41 41.920 41.920 42.432 -0.512 19811 3439 1 10 . 1 1 41 41 ASP H H 41 7.814 7.814 7.646 0.168 19811 3440 1 10 . 1 1 42 42 ILE N N 42 116.579 116.579 119.184 -2.605 19811 3441 1 10 . 1 1 42 42 ILE HA H 42 4.305 4.305 4.428 -0.123 19811 3442 1 10 . 1 1 42 42 ILE CA C 42 60.232 60.232 61.242 -1.010 19811 3443 1 10 . 1 1 42 42 ILE CB C 42 39.070 39.070 38.042 1.028 19811 3444 1 10 . 1 1 42 42 ILE H H 42 7.069 7.069 7.274 -0.205 19811 3445 1 10 . 1 1 43 43 LYS N N 43 128.374 128.374 128.126 0.248 19811 3446 1 10 . 1 1 43 43 LYS HA H 43 4.489 4.489 4.675 -0.186 19811 3447 1 10 . 1 1 43 43 LYS CA C 43 54.924 54.924 54.501 0.423 19811 3448 1 10 . 1 1 43 43 LYS CB C 43 35.322 35.322 36.233 -0.912 19811 3449 1 10 . 1 1 43 43 LYS H H 43 8.709 8.709 8.987 -0.278 19811 3450 1 10 . 1 1 44 44 LEU N N 44 126.700 126.700 126.864 -0.164 19811 3451 1 10 . 1 1 44 44 LEU HA H 44 5.368 5.368 4.519 0.849 19811 3452 1 10 . 1 1 44 44 LEU CA C 44 52.839 52.839 54.630 -1.791 19811 3453 1 10 . 1 1 44 44 LEU CB C 44 44.529 44.529 43.254 1.275 19811 3454 1 10 . 1 1 44 44 LEU H H 44 8.929 8.929 8.724 0.205 19811 3455 1 10 . 1 1 45 45 THR N N 45 112.945 112.945 119.869 -6.924 19811 3456 1 10 . 1 1 45 45 THR HA H 45 5.282 5.282 5.003 0.279 19811 3457 1 10 . 1 1 45 45 THR CA C 45 59.240 59.240 61.262 -2.022 19811 3458 1 10 . 1 1 45 45 THR CB C 45 72.146 72.146 69.966 2.180 19811 3459 1 10 . 1 1 45 45 THR H H 45 8.846 8.846 8.183 0.663 19811 3460 1 10 . 1 1 46 46 HIS N N 46 120.347 120.347 125.373 -5.026 19811 3461 1 10 . 1 1 46 46 HIS HA H 46 4.956 4.956 4.774 0.182 19811 3462 1 10 . 1 1 46 46 HIS CA C 46 55.757 55.757 55.426 0.331 19811 3463 1 10 . 1 1 46 46 HIS CB C 46 34.673 34.673 32.617 2.056 19811 3464 1 10 . 1 1 46 46 HIS H H 46 8.620 8.620 9.031 -0.411 19811 3465 1 10 . 1 1 47 47 ASN N N 47 128.187 128.187 125.627 2.560 19811 3466 1 10 . 1 1 47 47 ASN HA H 47 4.178 4.178 4.271 -0.093 19811 3467 1 10 . 1 1 47 47 ASN CA C 47 53.481 53.481 53.821 -0.340 19811 3468 1 10 . 1 1 47 47 ASN CB C 47 36.888 36.888 37.778 -0.890 19811 3469 1 10 . 1 1 47 47 ASN H H 47 9.136 9.136 9.153 -0.017 19811 3470 1 10 . 1 1 48 48 GLY N N 48 103.028 103.028 103.482 -0.454 19811 3471 1 10 . 1 1 48 48 GLY CA C 48 45.279 45.279 45.074 0.205 19811 3472 1 10 . 1 1 48 48 GLY H H 48 8.633 8.633 8.547 0.086 19811 3473 1 10 . 1 1 49 49 LYS N N 49 121.730 121.730 122.500 -0.770 19811 3474 1 10 . 1 1 49 49 LYS HA H 49 4.572 4.572 4.652 -0.080 19811 3475 1 10 . 1 1 49 49 LYS CA C 49 54.677 54.677 55.114 -0.437 19811 3476 1 10 . 1 1 49 49 LYS CB C 49 33.823 33.823 33.974 -0.151 19811 3477 1 10 . 1 1 49 49 LYS H H 49 7.790 7.790 7.675 0.115 19811 3478 1 10 . 1 1 50 50 THR N N 50 121.190 121.190 114.483 6.707 19811 3479 1 10 . 1 1 50 50 THR HA H 50 4.254 4.254 4.950 -0.696 19811 3480 1 10 . 1 1 50 50 THR CA C 50 63.304 63.304 60.825 2.479 19811 3481 1 10 . 1 1 50 50 THR CB C 50 68.732 68.732 69.907 -1.175 19811 3482 1 10 . 1 1 50 50 THR H H 50 8.735 8.735 8.358 0.377 19811 3483 1 10 . 1 1 51 51 LEU N N 51 127.406 127.406 123.458 3.948 19811 3484 1 10 . 1 1 51 51 LEU HA H 51 3.973 3.973 4.083 -0.110 19811 3485 1 10 . 1 1 51 51 LEU CA C 51 54.125 54.125 53.940 0.185 19811 3486 1 10 . 1 1 51 51 LEU CB C 51 41.715 41.715 42.857 -1.142 19811 3487 1 10 . 1 1 51 51 LEU H H 51 8.586 8.586 8.079 0.507 19811 3488 1 10 . 1 1 52 52 ASP N N 52 126.711 126.711 124.764 1.947 19811 3489 1 10 . 1 1 52 52 ASP HA H 52 4.840 4.840 4.915 -0.075 19811 3490 1 10 . 1 1 52 52 ASP CA C 52 51.377 51.377 52.442 -1.065 19811 3491 1 10 . 1 1 52 52 ASP CB C 52 43.019 43.019 42.361 0.658 19811 3492 1 10 . 1 1 52 52 ASP H H 52 8.974 8.974 8.102 0.872 19811 3493 1 10 . 1 1 53 53 PRO HA H 53 4.095 4.095 4.408 -0.313 19811 3494 1 10 . 1 1 53 53 PRO CA C 53 64.240 64.240 64.485 -0.245 19811 3495 1 10 . 1 1 53 53 PRO CB C 53 33.077 33.077 32.197 0.880 19811 3496 1 10 . 1 1 54 54 SER N N 54 110.024 110.024 112.795 -2.771 19811 3497 1 10 . 1 1 54 54 SER HA H 54 4.330 4.330 4.336 -0.006 19811 3498 1 10 . 1 1 54 54 SER CA C 54 59.971 59.971 59.763 0.208 19811 3499 1 10 . 1 1 54 54 SER CB C 54 63.881 63.881 63.202 0.679 19811 3500 1 10 . 1 1 54 54 SER H H 54 8.643 8.643 8.429 0.214 19811 3501 1 10 . 1 1 55 55 LEU N N 55 123.514 123.514 119.553 3.961 19811 3502 1 10 . 1 1 55 55 LEU HA H 55 4.645 4.645 4.592 0.053 19811 3503 1 10 . 1 1 55 55 LEU CA C 55 50.579 50.579 54.122 -3.543 19811 3504 1 10 . 1 1 55 55 LEU CB C 55 43.928 43.928 43.169 0.759 19811 3505 1 10 . 1 1 55 55 LEU H H 55 7.722 7.722 7.380 0.342 19811 3506 1 10 . 1 1 56 56 THR N N 56 107.845 107.845 109.081 -1.236 19811 3507 1 10 . 1 1 56 56 THR HA H 56 4.921 4.921 4.522 0.399 19811 3508 1 10 . 1 1 56 56 THR CA C 56 60.266 60.266 60.741 -0.475 19811 3509 1 10 . 1 1 56 56 THR CB C 56 71.553 71.553 70.147 1.406 19811 3510 1 10 . 1 1 56 56 THR H H 56 8.335 8.335 8.040 0.295 19811 3511 1 10 . 1 1 57 57 LEU N N 57 118.354 118.354 119.633 -1.279 19811 3512 1 10 . 1 1 57 57 LEU HA H 57 3.992 3.992 4.422 -0.430 19811 3513 1 10 . 1 1 57 57 LEU CA C 57 58.658 58.658 56.696 1.962 19811 3514 1 10 . 1 1 57 57 LEU CB C 57 39.774 39.774 41.798 -2.024 19811 3515 1 10 . 1 1 57 57 LEU H H 57 8.117 8.117 8.051 0.066 19811 3516 1 10 . 1 1 58 58 ALA N N 58 120.467 120.467 119.501 0.966 19811 3517 1 10 . 1 1 58 58 ALA HA H 58 4.075 4.075 4.369 -0.294 19811 3518 1 10 . 1 1 58 58 ALA CA C 58 55.047 55.047 53.824 1.224 19811 3519 1 10 . 1 1 58 58 ALA CB C 58 18.267 18.267 18.912 -0.645 19811 3520 1 10 . 1 1 58 58 ALA H H 58 8.730 8.730 8.601 0.129 19811 3521 1 10 . 1 1 59 59 GLU N N 59 119.907 119.907 117.533 2.374 19811 3522 1 10 . 1 1 59 59 GLU HA H 59 3.935 3.935 4.251 -0.316 19811 3523 1 10 . 1 1 59 59 GLU CA C 59 58.914 58.914 57.529 1.385 19811 3524 1 10 . 1 1 59 59 GLU CB C 59 29.623 29.623 29.655 -0.032 19811 3525 1 10 . 1 1 59 59 GLU H H 59 7.890 7.890 8.406 -0.516 19811 3526 1 10 . 1 1 60 60 TYR N N 60 116.582 116.582 118.849 -2.267 19811 3527 1 10 . 1 1 60 60 TYR HA H 60 4.554 4.554 4.546 0.008 19811 3528 1 10 . 1 1 60 60 TYR CA C 60 59.463 59.463 58.539 0.924 19811 3529 1 10 . 1 1 60 60 TYR CB C 60 40.288 40.288 39.566 0.722 19811 3530 1 10 . 1 1 60 60 TYR H H 60 7.448 7.448 7.545 -0.097 19811 3531 1 10 . 1 1 61 61 GLY N N 61 109.141 109.141 108.444 0.697 19811 3532 1 10 . 1 1 61 61 GLY CA C 61 46.380 46.380 44.813 1.567 19811 3533 1 10 . 1 1 61 61 GLY H H 61 8.067 8.067 7.855 0.212 19811 3534 1 10 . 1 1 62 62 ILE N N 62 120.506 120.506 122.758 -2.252 19811 3535 1 10 . 1 1 62 62 ILE HA H 62 3.614 3.614 4.413 -0.799 19811 3536 1 10 . 1 1 62 62 ILE CA C 62 61.392 61.392 60.793 0.599 19811 3537 1 10 . 1 1 62 62 ILE CB C 62 36.445 36.445 38.908 -2.463 19811 3538 1 10 . 1 1 62 62 ILE H H 62 7.416 7.416 7.672 -0.256 19811 3539 1 10 . 1 1 63 63 THR N N 63 117.984 117.984 119.456 -1.472 19811 3540 1 10 . 1 1 63 63 THR HA H 63 4.528 4.528 4.951 -0.423 19811 3541 1 10 . 1 1 63 63 THR CA C 63 58.942 58.942 58.360 0.582 19811 3542 1 10 . 1 1 63 63 THR CB C 63 68.304 68.304 68.978 -0.674 19811 3543 1 10 . 1 1 63 63 THR H H 63 7.408 7.408 8.528 -1.120 19811 3544 1 10 . 1 1 64 64 PRO HA H 64 4.237 4.237 4.293 -0.056 19811 3545 1 10 . 1 1 64 64 PRO CA C 64 64.568 64.568 63.539 1.029 19811 3546 1 10 . 1 1 64 64 PRO CB C 64 31.861 31.861 31.852 0.009 19811 3547 1 10 . 1 1 65 65 GLY N N 65 112.539 112.539 111.180 1.359 19811 3548 1 10 . 1 1 65 65 GLY CA C 65 44.719 44.719 45.093 -0.374 19811 3549 1 10 . 1 1 65 65 GLY H H 65 9.286 9.286 8.177 1.109 19811 3550 1 10 . 1 1 66 66 SER N N 66 116.523 116.523 114.908 1.615 19811 3551 1 10 . 1 1 66 66 SER HA H 66 4.535 4.535 4.894 -0.359 19811 3552 1 10 . 1 1 66 66 SER CA C 66 60.415 60.415 56.959 3.456 19811 3553 1 10 . 1 1 66 66 SER CB C 66 64.604 64.604 65.291 -0.687 19811 3554 1 10 . 1 1 66 66 SER H H 66 7.822 7.822 8.042 -0.220 19811 3555 1 10 . 1 1 67 67 THR N N 67 118.238 118.238 114.649 3.589 19811 3556 1 10 . 1 1 67 67 THR HA H 67 5.342 5.342 4.549 0.793 19811 3557 1 10 . 1 1 67 67 THR CA C 67 62.059 62.059 61.090 0.969 19811 3558 1 10 . 1 1 67 67 THR CB C 67 70.858 70.858 69.520 1.337 19811 3559 1 10 . 1 1 67 67 THR H H 67 8.715 8.715 8.303 0.412 19811 3560 1 10 . 1 1 68 68 ILE N N 68 126.891 126.891 128.239 -1.348 19811 3561 1 10 . 1 1 68 68 ILE HA H 68 4.761 4.761 4.518 0.243 19811 3562 1 10 . 1 1 68 68 ILE CA C 68 59.434 59.434 60.574 -1.139 19811 3563 1 10 . 1 1 68 68 ILE CB C 68 40.783 40.783 39.646 1.137 19811 3564 1 10 . 1 1 68 68 ILE H H 68 9.097 9.097 8.128 0.969 19811 3565 1 10 . 1 1 69 69 THR N N 69 120.333 120.333 120.693 -0.360 19811 3566 1 10 . 1 1 69 69 THR HA H 69 4.566 4.566 4.791 -0.225 19811 3567 1 10 . 1 1 69 69 THR CA C 69 63.014 63.014 60.693 2.321 19811 3568 1 10 . 1 1 69 69 THR CB C 69 70.043 70.043 69.682 0.361 19811 3569 1 10 . 1 1 69 69 THR H H 69 8.903 8.903 8.678 0.225 19811 3570 1 10 . 1 1 70 70 LEU N N 70 126.490 126.490 121.927 4.563 19811 3571 1 10 . 1 1 70 70 LEU HA H 70 4.984 4.984 5.256 -0.272 19811 3572 1 10 . 1 1 70 70 LEU CA C 70 54.088 54.088 53.292 0.796 19811 3573 1 10 . 1 1 70 70 LEU CB C 70 44.772 44.772 44.693 0.079 19811 3574 1 10 . 1 1 70 70 LEU H H 70 8.191 8.191 7.837 0.354 19811 3575 1 10 . 1 1 71 71 GLU N N 71 125.912 125.912 119.833 6.079 19811 3576 1 10 . 1 1 71 71 GLU HA H 71 4.505 4.505 4.736 -0.231 19811 3577 1 10 . 1 1 71 71 GLU CA C 71 54.828 54.828 55.501 -0.673 19811 3578 1 10 . 1 1 71 71 GLU CB C 71 33.391 33.391 33.873 -0.482 19811 3579 1 10 . 1 1 71 71 GLU H H 71 9.089 9.089 8.726 0.363 19811 3580 1 10 . 1 1 72 72 ILE N N 72 123.229 123.229 121.696 1.533 19811 3581 1 10 . 1 1 72 72 ILE HA H 72 4.570 4.570 5.058 -0.488 19811 3582 1 10 . 1 1 72 72 ILE CA C 72 59.629 59.629 59.902 -0.273 19811 3583 1 10 . 1 1 72 72 ILE CB C 72 38.376 38.376 40.990 -2.614 19811 3584 1 10 . 1 1 72 72 ILE H H 72 8.526 8.526 8.482 0.044 19811 3585 1 10 . 1 1 73 73 LYS N N 73 129.392 129.392 126.148 3.244 19811 3586 1 10 . 1 1 73 73 LYS HA H 73 4.178 4.178 4.657 -0.479 19811 3587 1 10 . 1 1 73 73 LYS CA C 73 56.564 56.564 55.854 0.710 19811 3588 1 10 . 1 1 73 73 LYS CB C 73 33.320 33.320 33.434 -0.114 19811 3589 1 10 . 1 1 73 73 LYS H H 73 8.837 8.837 8.285 0.552 19811 3590 1 10 . 1 1 74 74 LYS N N 74 123.476 123.476 122.459 1.017 19811 3591 1 10 . 1 1 74 74 LYS HA H 74 4.255 4.255 4.409 -0.154 19811 3592 1 10 . 1 1 74 74 LYS CA C 74 56.000 56.000 56.403 -0.403 19811 3593 1 10 . 1 1 74 74 LYS CB C 74 33.223 33.223 34.327 -1.104 19811 3594 1 10 . 1 1 74 74 LYS H H 74 8.266 8.266 8.508 -0.242 19811 3595 1 10 . 1 1 75 75 LYS N N 75 124.450 124.450 121.165 3.285 19811 3596 1 10 . 1 1 75 75 LYS HA H 75 4.245 4.245 4.545 -0.300 19811 3597 1 10 . 1 1 75 75 LYS CA C 75 56.677 56.677 55.605 1.072 19811 3598 1 10 . 1 1 75 75 LYS CB C 75 32.876 32.876 33.813 -0.937 19811 3599 1 10 . 1 1 75 75 LYS H H 75 8.572 8.572 8.141 0.431 19811 3600 1 10 . 1 1 76 76 GLY N N 76 110.666 110.666 108.444 2.222 19811 3601 1 10 . 1 1 76 76 GLY CA C 76 45.330 45.330 45.616 -0.286 19811 3602 1 10 . 1 1 76 76 GLY H H 76 8.549 8.549 8.420 0.129 19811 3603 1 10 . 1 1 77 77 GLY N N 77 108.740 108.740 109.609 -0.869 19811 3604 1 10 . 1 1 77 77 GLY CA C 77 45.300 45.300 44.773 0.527 19811 3605 1 10 . 1 1 77 77 GLY H H 77 8.332 8.332 8.068 0.264 19811 3606 1 10 . 1 1 78 78 LEU N N 78 121.371 121.371 120.724 0.647 19811 3607 1 10 . 1 1 78 78 LEU HA H 78 4.263 4.263 4.768 -0.505 19811 3608 1 10 . 1 1 78 78 LEU CA C 78 55.127 55.127 54.940 0.187 19811 3609 1 10 . 1 1 78 78 LEU CB C 78 42.290 42.290 43.766 -1.476 19811 3610 1 10 . 1 1 78 78 LEU H H 78 8.165 8.165 8.040 0.125 19811 3611 1 11 . 1 1 2 2 ASP N N 2 121.707 121.707 117.056 4.651 19811 3612 1 11 . 1 1 2 2 ASP HA H 2 4.798 4.798 4.882 -0.084 19811 3613 1 11 . 1 1 2 2 ASP CA C 2 54.249 54.249 54.645 -0.396 19811 3614 1 11 . 1 1 2 2 ASP CB C 2 42.163 42.163 43.241 -1.078 19811 3615 1 11 . 1 1 2 2 ASP H H 2 8.479 8.479 8.249 0.230 19811 3616 1 11 . 1 1 3 3 THR N N 3 109.876 109.876 113.193 -3.317 19811 3617 1 11 . 1 1 3 3 THR HA H 3 5.324 5.324 5.172 0.152 19811 3618 1 11 . 1 1 3 3 THR CA C 3 59.553 59.553 60.697 -1.144 19811 3619 1 11 . 1 1 3 3 THR CB C 3 72.235 72.235 70.431 1.804 19811 3620 1 11 . 1 1 3 3 THR H H 3 7.857 7.857 7.637 0.220 19811 3621 1 11 . 1 1 4 4 ILE N N 4 115.792 115.792 115.997 -0.205 19811 3622 1 11 . 1 1 4 4 ILE HA H 4 4.464 4.464 4.605 -0.141 19811 3623 1 11 . 1 1 4 4 ILE CA C 4 59.314 59.314 59.465 -0.152 19811 3624 1 11 . 1 1 4 4 ILE CB C 4 41.940 41.940 41.399 0.541 19811 3625 1 11 . 1 1 4 4 ILE H H 4 8.665 8.665 8.436 0.229 19811 3626 1 11 . 1 1 5 5 ASN N N 5 119.913 119.913 119.450 0.463 19811 3627 1 11 . 1 1 5 5 ASN HA H 5 5.438 5.438 5.677 -0.239 19811 3628 1 11 . 1 1 5 5 ASN CA C 5 51.594 51.594 51.749 -0.155 19811 3629 1 11 . 1 1 5 5 ASN CB C 5 41.031 41.031 41.494 -0.463 19811 3630 1 11 . 1 1 5 5 ASN H H 5 8.457 8.457 8.120 0.337 19811 3631 1 11 . 1 1 6 6 ILE N N 6 122.674 122.674 125.811 -3.137 19811 3632 1 11 . 1 1 6 6 ILE HA H 6 5.035 5.035 4.899 0.136 19811 3633 1 11 . 1 1 6 6 ILE CA C 6 57.857 57.857 60.087 -2.230 19811 3634 1 11 . 1 1 6 6 ILE CB C 6 38.947 38.947 39.323 -0.376 19811 3635 1 11 . 1 1 6 6 ILE H H 6 9.426 9.426 8.741 0.685 19811 3636 1 11 . 1 1 7 7 THR N N 7 124.398 124.398 123.243 1.155 19811 3637 1 11 . 1 1 7 7 THR HA H 7 4.512 4.512 4.564 -0.052 19811 3638 1 11 . 1 1 7 7 THR CA C 7 62.639 62.639 62.114 0.525 19811 3639 1 11 . 1 1 7 7 THR CB C 7 69.074 69.074 69.519 -0.445 19811 3640 1 11 . 1 1 7 7 THR H H 7 9.152 9.152 9.018 0.134 19811 3641 1 11 . 1 1 8 8 LEU N N 8 127.909 127.909 125.206 2.703 19811 3642 1 11 . 1 1 8 8 LEU HA H 8 4.601 4.601 4.757 -0.156 19811 3643 1 11 . 1 1 8 8 LEU CA C 8 53.537 53.537 51.802 1.735 19811 3644 1 11 . 1 1 8 8 LEU CB C 8 39.928 39.928 43.505 -3.577 19811 3645 1 11 . 1 1 8 8 LEU H H 8 8.992 8.992 7.973 1.019 19811 3646 1 11 . 1 1 9 9 PRO HA H 9 4.419 4.419 4.372 0.047 19811 3647 1 11 . 1 1 9 9 PRO CA C 9 65.184 65.184 64.825 0.359 19811 3648 1 11 . 1 1 9 9 PRO CB C 9 31.999 31.999 31.442 0.557 19811 3649 1 11 . 1 1 10 10 ASP N N 10 113.521 113.521 116.627 -3.106 19811 3650 1 11 . 1 1 10 10 ASP HA H 10 4.490 4.490 4.618 -0.128 19811 3651 1 11 . 1 1 10 10 ASP CA C 10 53.129 53.129 54.728 -1.599 19811 3652 1 11 . 1 1 10 10 ASP CB C 10 39.986 39.986 41.518 -1.532 19811 3653 1 11 . 1 1 10 10 ASP H H 10 7.678 7.678 8.255 -0.577 19811 3654 1 11 . 1 1 11 11 GLY N N 11 108.658 108.658 107.944 0.714 19811 3655 1 11 . 1 1 11 11 GLY CA C 11 45.218 45.218 44.952 0.266 19811 3656 1 11 . 1 1 11 11 GLY H H 11 8.376 8.376 7.664 0.712 19811 3657 1 11 . 1 1 12 12 LYS N N 12 121.449 121.449 120.367 1.082 19811 3658 1 11 . 1 1 12 12 LYS HA H 12 4.331 4.331 4.558 -0.227 19811 3659 1 11 . 1 1 12 12 LYS CA C 12 56.660 56.660 55.487 1.173 19811 3660 1 11 . 1 1 12 12 LYS CB C 12 33.199 33.199 33.256 -0.057 19811 3661 1 11 . 1 1 12 12 LYS H H 12 7.766 7.766 7.925 -0.159 19811 3662 1 11 . 1 1 13 13 THR N N 13 113.928 113.928 112.660 1.268 19811 3663 1 11 . 1 1 13 13 THR HA H 13 5.193 5.193 5.151 0.042 19811 3664 1 11 . 1 1 13 13 THR CA C 13 61.734 61.734 60.163 1.571 19811 3665 1 11 . 1 1 13 13 THR CB C 13 71.481 71.481 70.909 0.572 19811 3666 1 11 . 1 1 13 13 THR H H 13 8.248 8.248 8.218 0.030 19811 3667 1 11 . 1 1 14 14 LEU N N 14 128.446 128.446 122.252 6.194 19811 3668 1 11 . 1 1 14 14 LEU HA H 14 4.739 4.739 4.820 -0.081 19811 3669 1 11 . 1 1 14 14 LEU CA C 14 53.403 53.403 53.874 -0.471 19811 3670 1 11 . 1 1 14 14 LEU CB C 14 45.480 45.480 46.059 -0.579 19811 3671 1 11 . 1 1 14 14 LEU H H 14 9.270 9.270 8.491 0.779 19811 3672 1 11 . 1 1 15 15 THR N N 15 123.048 123.048 118.471 4.577 19811 3673 1 11 . 1 1 15 15 THR HA H 15 5.191 5.191 5.287 -0.096 19811 3674 1 11 . 1 1 15 15 THR CA C 15 61.986 61.986 61.285 0.701 19811 3675 1 11 . 1 1 15 15 THR CB C 15 70.339 70.339 69.925 0.413 19811 3676 1 11 . 1 1 15 15 THR H H 15 8.759 8.759 8.268 0.491 19811 3677 1 11 . 1 1 16 16 LEU N N 16 125.874 125.874 127.879 -2.005 19811 3678 1 11 . 1 1 16 16 LEU HA H 16 4.770 4.770 4.795 -0.025 19811 3679 1 11 . 1 1 16 16 LEU CA C 16 53.222 53.222 53.316 -0.095 19811 3680 1 11 . 1 1 16 16 LEU CB C 16 45.322 45.322 46.665 -1.343 19811 3681 1 11 . 1 1 16 16 LEU H H 16 8.551 8.551 8.145 0.406 19811 3682 1 11 . 1 1 17 17 THR N N 17 117.080 117.080 117.659 -0.579 19811 3683 1 11 . 1 1 17 17 THR HA H 17 4.629 4.629 4.770 -0.141 19811 3684 1 11 . 1 1 17 17 THR CA C 17 61.950 61.950 61.917 0.033 19811 3685 1 11 . 1 1 17 17 THR CB C 17 69.202 69.202 69.435 -0.233 19811 3686 1 11 . 1 1 17 17 THR H H 17 8.342 8.342 8.166 0.176 19811 3687 1 11 . 1 1 18 18 VAL N N 18 116.699 116.699 122.408 -5.709 19811 3688 1 11 . 1 1 18 18 VAL HA H 18 3.910 3.910 4.404 -0.494 19811 3689 1 11 . 1 1 18 18 VAL CA C 18 58.565 58.565 60.895 -2.330 19811 3690 1 11 . 1 1 18 18 VAL CB C 18 35.910 35.910 33.025 2.885 19811 3691 1 11 . 1 1 18 18 VAL H H 18 8.131 8.131 7.963 0.168 19811 3692 1 11 . 1 1 19 19 THR N N 19 110.389 110.389 112.443 -2.054 19811 3693 1 11 . 1 1 19 19 THR HA H 19 4.807 4.807 4.844 -0.037 19811 3694 1 11 . 1 1 19 19 THR CA C 19 58.916 58.916 59.185 -0.269 19811 3695 1 11 . 1 1 19 19 THR CB C 19 68.674 68.674 69.927 -1.253 19811 3696 1 11 . 1 1 19 19 THR H H 19 6.219 6.219 7.879 -1.660 19811 3697 1 11 . 1 1 20 20 PRO HA H 20 4.382 4.382 4.481 -0.099 19811 3698 1 11 . 1 1 20 20 PRO CA C 20 65.110 65.110 64.061 1.049 19811 3699 1 11 . 1 1 20 20 PRO CB C 20 31.996 31.996 32.200 -0.204 19811 3700 1 11 . 1 1 21 21 GLU N N 21 113.087 113.087 115.957 -2.870 19811 3701 1 11 . 1 1 21 21 GLU HA H 21 4.350 4.350 4.371 -0.021 19811 3702 1 11 . 1 1 21 21 GLU CA C 21 56.513 56.513 55.752 0.761 19811 3703 1 11 . 1 1 21 21 GLU CB C 21 29.153 29.153 29.975 -0.822 19811 3704 1 11 . 1 1 21 21 GLU H H 21 7.960 7.960 8.289 -0.329 19811 3705 1 11 . 1 1 22 22 PHE N N 22 123.828 123.828 119.987 3.841 19811 3706 1 11 . 1 1 22 22 PHE HA H 22 4.518 4.518 4.656 -0.138 19811 3707 1 11 . 1 1 22 22 PHE CA C 22 58.778 58.778 58.221 0.556 19811 3708 1 11 . 1 1 22 22 PHE CB C 22 40.224 40.224 40.732 -0.508 19811 3709 1 11 . 1 1 22 22 PHE H H 22 7.724 7.724 7.489 0.235 19811 3710 1 11 . 1 1 23 23 THR N N 23 114.031 114.031 113.118 0.913 19811 3711 1 11 . 1 1 23 23 THR HA H 23 4.791 4.791 4.518 0.273 19811 3712 1 11 . 1 1 23 23 THR CA C 23 60.340 60.340 60.217 0.123 19811 3713 1 11 . 1 1 23 23 THR CB C 23 71.791 71.791 71.075 0.716 19811 3714 1 11 . 1 1 23 23 THR H H 23 8.504 8.504 7.871 0.633 19811 3715 1 11 . 1 1 24 24 VAL N N 24 122.541 122.541 120.239 2.302 19811 3716 1 11 . 1 1 24 24 VAL HA H 24 3.427 3.427 3.806 -0.379 19811 3717 1 11 . 1 1 24 24 VAL CA C 24 66.745 66.745 66.069 0.676 19811 3718 1 11 . 1 1 24 24 VAL CB C 24 30.735 30.735 30.776 -0.041 19811 3719 1 11 . 1 1 24 24 VAL H H 24 8.918 8.918 8.500 0.418 19811 3720 1 11 . 1 1 25 25 LYS N N 25 121.079 121.079 119.589 1.490 19811 3721 1 11 . 1 1 25 25 LYS HA H 25 3.912 3.912 4.013 -0.101 19811 3722 1 11 . 1 1 25 25 LYS CA C 25 59.950 59.950 59.776 0.174 19811 3723 1 11 . 1 1 25 25 LYS CB C 25 32.824 32.824 32.237 0.587 19811 3724 1 11 . 1 1 25 25 LYS H H 25 8.622 8.622 8.160 0.462 19811 3725 1 11 . 1 1 26 26 GLU N N 26 118.646 118.646 120.296 -1.650 19811 3726 1 11 . 1 1 26 26 GLU HA H 26 3.859 3.859 4.043 -0.184 19811 3727 1 11 . 1 1 26 26 GLU CA C 26 59.012 59.012 59.145 -0.133 19811 3728 1 11 . 1 1 26 26 GLU CB C 26 29.344 29.344 29.462 -0.117 19811 3729 1 11 . 1 1 26 26 GLU H H 26 7.734 7.734 7.522 0.212 19811 3730 1 11 . 1 1 27 27 LEU N N 27 122.155 122.155 120.505 1.650 19811 3731 1 11 . 1 1 27 27 LEU HA H 27 4.136 4.136 4.368 -0.232 19811 3732 1 11 . 1 1 27 27 LEU CA C 27 58.226 58.226 58.141 0.085 19811 3733 1 11 . 1 1 27 27 LEU CB C 27 41.986 41.986 42.259 -0.273 19811 3734 1 11 . 1 1 27 27 LEU H H 27 8.000 8.000 8.485 -0.485 19811 3735 1 11 . 1 1 28 28 ALA N N 28 121.362 121.362 120.239 1.123 19811 3736 1 11 . 1 1 28 28 ALA HA H 28 3.837 3.837 4.133 -0.296 19811 3737 1 11 . 1 1 28 28 ALA CA C 28 55.872 55.872 54.813 1.059 19811 3738 1 11 . 1 1 28 28 ALA CB C 28 17.902 17.902 18.199 -0.297 19811 3739 1 11 . 1 1 28 28 ALA H H 28 8.899 8.899 7.840 1.059 19811 3740 1 11 . 1 1 29 29 GLU N N 29 116.582 116.582 118.442 -1.860 19811 3741 1 11 . 1 1 29 29 GLU HA H 29 3.814 3.814 4.049 -0.235 19811 3742 1 11 . 1 1 29 29 GLU CA C 29 59.849 59.849 59.196 0.653 19811 3743 1 11 . 1 1 29 29 GLU CB C 29 29.185 29.185 29.578 -0.393 19811 3744 1 11 . 1 1 29 29 GLU H H 29 8.437 8.437 7.917 0.520 19811 3745 1 11 . 1 1 30 30 GLU N N 30 121.430 121.430 119.879 1.551 19811 3746 1 11 . 1 1 30 30 GLU HA H 30 4.293 4.293 4.186 0.107 19811 3747 1 11 . 1 1 30 30 GLU CA C 30 58.829 58.829 59.081 -0.252 19811 3748 1 11 . 1 1 30 30 GLU CB C 30 28.720 28.720 29.893 -1.173 19811 3749 1 11 . 1 1 30 30 GLU H H 30 7.877 7.877 7.642 0.235 19811 3750 1 11 . 1 1 31 31 ILE N N 31 119.644 119.644 120.108 -0.464 19811 3751 1 11 . 1 1 31 31 ILE HA H 31 3.289 3.289 3.831 -0.542 19811 3752 1 11 . 1 1 31 31 ILE CA C 31 65.937 65.937 63.610 2.327 19811 3753 1 11 . 1 1 31 31 ILE CB C 31 38.338 38.338 38.256 0.082 19811 3754 1 11 . 1 1 31 31 ILE H H 31 8.438 8.438 7.513 0.925 19811 3755 1 11 . 1 1 32 32 ALA N N 32 120.190 120.190 121.132 -0.942 19811 3756 1 11 . 1 1 32 32 ALA HA H 32 3.637 3.637 4.201 -0.564 19811 3757 1 11 . 1 1 32 32 ALA CA C 32 56.071 56.071 54.590 1.481 19811 3758 1 11 . 1 1 32 32 ALA CB C 32 17.287 17.287 18.307 -1.020 19811 3759 1 11 . 1 1 32 32 ALA H H 32 8.609 8.609 7.682 0.927 19811 3760 1 11 . 1 1 33 33 ARG N N 33 116.846 116.846 118.460 -1.614 19811 3761 1 11 . 1 1 33 33 ARG HA H 33 4.085 4.085 4.108 -0.023 19811 3762 1 11 . 1 1 33 33 ARG CA C 33 59.367 59.367 58.907 0.460 19811 3763 1 11 . 1 1 33 33 ARG CB C 33 30.575 30.575 30.378 0.197 19811 3764 1 11 . 1 1 33 33 ARG H H 33 7.817 7.817 7.660 0.157 19811 3765 1 11 . 1 1 34 34 ARG N N 34 118.212 118.212 117.519 0.693 19811 3766 1 11 . 1 1 34 34 ARG HA H 34 4.078 4.078 4.262 -0.184 19811 3767 1 11 . 1 1 34 34 ARG CA C 34 58.321 58.321 57.991 0.330 19811 3768 1 11 . 1 1 34 34 ARG CB C 34 29.771 29.771 30.276 -0.505 19811 3769 1 11 . 1 1 34 34 ARG H H 34 7.922 7.922 7.695 0.227 19811 3770 1 11 . 1 1 35 35 LEU N N 35 115.523 115.523 118.457 -2.934 19811 3771 1 11 . 1 1 35 35 LEU HA H 35 4.426 4.426 4.548 -0.122 19811 3772 1 11 . 1 1 35 35 LEU CA C 35 54.601 54.601 55.051 -0.450 19811 3773 1 11 . 1 1 35 35 LEU CB C 35 42.895 42.895 42.957 -0.062 19811 3774 1 11 . 1 1 35 35 LEU H H 35 7.999 7.999 7.504 0.495 19811 3775 1 11 . 1 1 36 36 GLY N N 36 110.277 110.277 107.522 2.755 19811 3776 1 11 . 1 1 36 36 GLY CA C 36 46.906 46.906 45.290 1.616 19811 3777 1 11 . 1 1 36 36 GLY H H 36 7.864 7.864 7.948 -0.084 19811 3778 1 11 . 1 1 37 37 LEU N N 37 119.310 119.310 118.353 0.957 19811 3779 1 11 . 1 1 37 37 LEU HA H 37 4.691 4.691 4.769 -0.078 19811 3780 1 11 . 1 1 37 37 LEU CA C 37 52.642 52.642 52.914 -0.272 19811 3781 1 11 . 1 1 37 37 LEU CB C 37 45.355 45.355 44.928 0.427 19811 3782 1 11 . 1 1 37 37 LEU H H 37 8.025 8.025 8.094 -0.069 19811 3783 1 11 . 1 1 38 38 SER N N 38 115.906 115.906 115.352 0.554 19811 3784 1 11 . 1 1 38 38 SER HA H 38 4.955 4.955 4.912 0.043 19811 3785 1 11 . 1 1 38 38 SER CA C 38 55.376 55.376 55.766 -0.390 19811 3786 1 11 . 1 1 38 38 SER CB C 38 63.732 63.732 63.436 0.296 19811 3787 1 11 . 1 1 38 38 SER H H 38 8.662 8.662 8.259 0.403 19811 3788 1 11 . 1 1 39 39 PRO HA H 39 3.976 3.976 4.484 -0.508 19811 3789 1 11 . 1 1 39 39 PRO CA C 39 65.434 65.434 64.146 1.288 19811 3790 1 11 . 1 1 39 39 PRO CB C 39 31.527 31.527 32.334 -0.807 19811 3791 1 11 . 1 1 40 40 GLU N N 40 115.609 115.609 114.037 1.572 19811 3792 1 11 . 1 1 40 40 GLU HA H 40 4.115 4.115 4.117 -0.002 19811 3793 1 11 . 1 1 40 40 GLU CA C 40 57.861 57.861 57.836 0.025 19811 3794 1 11 . 1 1 40 40 GLU CB C 40 28.842 28.842 28.788 0.054 19811 3795 1 11 . 1 1 40 40 GLU H H 40 8.455 8.455 8.400 0.055 19811 3796 1 11 . 1 1 41 41 ASP N N 41 118.239 118.239 118.630 -0.391 19811 3797 1 11 . 1 1 41 41 ASP HA H 41 4.711 4.711 4.775 -0.064 19811 3798 1 11 . 1 1 41 41 ASP CA C 41 54.862 54.862 56.263 -1.401 19811 3799 1 11 . 1 1 41 41 ASP CB C 41 41.920 41.920 42.854 -0.934 19811 3800 1 11 . 1 1 41 41 ASP H H 41 7.814 7.814 7.588 0.226 19811 3801 1 11 . 1 1 42 42 ILE N N 42 116.579 116.579 119.875 -3.296 19811 3802 1 11 . 1 1 42 42 ILE HA H 42 4.305 4.305 4.735 -0.430 19811 3803 1 11 . 1 1 42 42 ILE CA C 42 60.232 60.232 61.076 -0.844 19811 3804 1 11 . 1 1 42 42 ILE CB C 42 39.070 39.070 38.310 0.760 19811 3805 1 11 . 1 1 42 42 ILE H H 42 7.069 7.069 7.272 -0.203 19811 3806 1 11 . 1 1 43 43 LYS N N 43 128.374 128.374 127.960 0.414 19811 3807 1 11 . 1 1 43 43 LYS HA H 43 4.489 4.489 4.683 -0.194 19811 3808 1 11 . 1 1 43 43 LYS CA C 43 54.924 54.924 54.606 0.318 19811 3809 1 11 . 1 1 43 43 LYS CB C 43 35.322 35.322 36.072 -0.750 19811 3810 1 11 . 1 1 43 43 LYS H H 43 8.709 8.709 8.745 -0.036 19811 3811 1 11 . 1 1 44 44 LEU N N 44 126.700 126.700 125.677 1.023 19811 3812 1 11 . 1 1 44 44 LEU HA H 44 5.368 5.368 4.517 0.851 19811 3813 1 11 . 1 1 44 44 LEU CA C 44 52.839 52.839 54.871 -2.032 19811 3814 1 11 . 1 1 44 44 LEU CB C 44 44.529 44.529 43.193 1.336 19811 3815 1 11 . 1 1 44 44 LEU H H 44 8.929 8.929 8.760 0.169 19811 3816 1 11 . 1 1 45 45 THR N N 45 112.945 112.945 119.567 -6.622 19811 3817 1 11 . 1 1 45 45 THR HA H 45 5.282 5.282 4.976 0.306 19811 3818 1 11 . 1 1 45 45 THR CA C 45 59.240 59.240 61.443 -2.203 19811 3819 1 11 . 1 1 45 45 THR CB C 45 72.146 72.146 70.380 1.766 19811 3820 1 11 . 1 1 45 45 THR H H 45 8.846 8.846 8.202 0.644 19811 3821 1 11 . 1 1 46 46 HIS N N 46 120.347 120.347 124.815 -4.468 19811 3822 1 11 . 1 1 46 46 HIS HA H 46 4.956 4.956 4.855 0.101 19811 3823 1 11 . 1 1 46 46 HIS CA C 46 55.757 55.757 55.900 -0.143 19811 3824 1 11 . 1 1 46 46 HIS CB C 46 34.673 34.673 33.283 1.390 19811 3825 1 11 . 1 1 46 46 HIS H H 46 8.620 8.620 9.067 -0.447 19811 3826 1 11 . 1 1 47 47 ASN N N 47 128.187 128.187 125.269 2.918 19811 3827 1 11 . 1 1 47 47 ASN HA H 47 4.178 4.178 4.346 -0.168 19811 3828 1 11 . 1 1 47 47 ASN CA C 47 53.481 53.481 53.929 -0.448 19811 3829 1 11 . 1 1 47 47 ASN CB C 47 36.888 36.888 38.008 -1.119 19811 3830 1 11 . 1 1 47 47 ASN H H 47 9.136 9.136 9.174 -0.038 19811 3831 1 11 . 1 1 48 48 GLY N N 48 103.028 103.028 103.678 -0.650 19811 3832 1 11 . 1 1 48 48 GLY CA C 48 45.279 45.279 45.133 0.146 19811 3833 1 11 . 1 1 48 48 GLY H H 48 8.633 8.633 8.552 0.081 19811 3834 1 11 . 1 1 49 49 LYS N N 49 121.730 121.730 122.160 -0.430 19811 3835 1 11 . 1 1 49 49 LYS HA H 49 4.572 4.572 4.667 -0.095 19811 3836 1 11 . 1 1 49 49 LYS CA C 49 54.677 54.677 55.158 -0.481 19811 3837 1 11 . 1 1 49 49 LYS CB C 49 33.823 33.823 34.217 -0.394 19811 3838 1 11 . 1 1 49 49 LYS H H 49 7.790 7.790 7.684 0.106 19811 3839 1 11 . 1 1 50 50 THR N N 50 121.190 121.190 113.412 7.778 19811 3840 1 11 . 1 1 50 50 THR HA H 50 4.254 4.254 5.044 -0.790 19811 3841 1 11 . 1 1 50 50 THR CA C 50 63.304 63.304 60.735 2.569 19811 3842 1 11 . 1 1 50 50 THR CB C 50 68.732 68.732 70.300 -1.568 19811 3843 1 11 . 1 1 50 50 THR H H 50 8.735 8.735 8.305 0.430 19811 3844 1 11 . 1 1 51 51 LEU N N 51 127.406 127.406 122.567 4.839 19811 3845 1 11 . 1 1 51 51 LEU HA H 51 3.973 3.973 4.207 -0.234 19811 3846 1 11 . 1 1 51 51 LEU CA C 51 54.125 54.125 54.209 -0.084 19811 3847 1 11 . 1 1 51 51 LEU CB C 51 41.715 41.715 43.309 -1.594 19811 3848 1 11 . 1 1 51 51 LEU H H 51 8.586 8.586 8.003 0.583 19811 3849 1 11 . 1 1 52 52 ASP N N 52 126.711 126.711 125.057 1.654 19811 3850 1 11 . 1 1 52 52 ASP HA H 52 4.840 4.840 4.871 -0.031 19811 3851 1 11 . 1 1 52 52 ASP CA C 52 51.377 51.377 51.898 -0.521 19811 3852 1 11 . 1 1 52 52 ASP CB C 52 43.019 43.019 42.742 0.277 19811 3853 1 11 . 1 1 52 52 ASP H H 52 8.974 8.974 8.185 0.789 19811 3854 1 11 . 1 1 53 53 PRO HA H 53 4.095 4.095 4.412 -0.317 19811 3855 1 11 . 1 1 53 53 PRO CA C 53 64.240 64.240 64.240 0.000 19811 3856 1 11 . 1 1 53 53 PRO CB C 53 33.077 33.077 32.374 0.703 19811 3857 1 11 . 1 1 54 54 SER N N 54 110.024 110.024 114.025 -4.001 19811 3858 1 11 . 1 1 54 54 SER HA H 54 4.330 4.330 4.282 0.048 19811 3859 1 11 . 1 1 54 54 SER CA C 54 59.971 59.971 59.732 0.239 19811 3860 1 11 . 1 1 54 54 SER CB C 54 63.881 63.881 63.413 0.468 19811 3861 1 11 . 1 1 54 54 SER H H 54 8.643 8.643 7.937 0.706 19811 3862 1 11 . 1 1 55 55 LEU N N 55 123.514 123.514 120.361 3.153 19811 3863 1 11 . 1 1 55 55 LEU HA H 55 4.645 4.645 4.441 0.204 19811 3864 1 11 . 1 1 55 55 LEU CA C 55 50.579 50.579 54.060 -3.481 19811 3865 1 11 . 1 1 55 55 LEU CB C 55 43.928 43.928 43.505 0.423 19811 3866 1 11 . 1 1 55 55 LEU H H 55 7.722 7.722 7.372 0.350 19811 3867 1 11 . 1 1 56 56 THR N N 56 107.845 107.845 109.681 -1.836 19811 3868 1 11 . 1 1 56 56 THR HA H 56 4.921 4.921 4.542 0.379 19811 3869 1 11 . 1 1 56 56 THR CA C 56 60.266 60.266 61.166 -0.900 19811 3870 1 11 . 1 1 56 56 THR CB C 56 71.553 71.553 71.079 0.474 19811 3871 1 11 . 1 1 56 56 THR H H 56 8.335 8.335 8.212 0.123 19811 3872 1 11 . 1 1 57 57 LEU N N 57 118.354 118.354 120.558 -2.204 19811 3873 1 11 . 1 1 57 57 LEU HA H 57 3.992 3.992 4.552 -0.560 19811 3874 1 11 . 1 1 57 57 LEU CA C 57 58.658 58.658 57.120 1.538 19811 3875 1 11 . 1 1 57 57 LEU CB C 57 39.774 39.774 42.330 -2.556 19811 3876 1 11 . 1 1 57 57 LEU H H 57 8.117 8.117 8.726 -0.609 19811 3877 1 11 . 1 1 58 58 ALA N N 58 120.467 120.467 118.618 1.849 19811 3878 1 11 . 1 1 58 58 ALA HA H 58 4.075 4.075 4.216 -0.141 19811 3879 1 11 . 1 1 58 58 ALA CA C 58 55.047 55.047 53.886 1.161 19811 3880 1 11 . 1 1 58 58 ALA CB C 58 18.267 18.267 18.398 -0.132 19811 3881 1 11 . 1 1 58 58 ALA H H 58 8.730 8.730 8.356 0.374 19811 3882 1 11 . 1 1 59 59 GLU N N 59 119.907 119.907 117.959 1.948 19811 3883 1 11 . 1 1 59 59 GLU HA H 59 3.935 3.935 4.182 -0.247 19811 3884 1 11 . 1 1 59 59 GLU CA C 59 58.914 58.914 57.820 1.094 19811 3885 1 11 . 1 1 59 59 GLU CB C 59 29.623 29.623 29.737 -0.114 19811 3886 1 11 . 1 1 59 59 GLU H H 59 7.890 7.890 8.405 -0.515 19811 3887 1 11 . 1 1 60 60 TYR N N 60 116.582 116.582 118.285 -1.703 19811 3888 1 11 . 1 1 60 60 TYR HA H 60 4.554 4.554 4.427 0.127 19811 3889 1 11 . 1 1 60 60 TYR CA C 60 59.463 59.463 58.797 0.666 19811 3890 1 11 . 1 1 60 60 TYR CB C 60 40.288 40.288 39.117 1.171 19811 3891 1 11 . 1 1 60 60 TYR H H 60 7.448 7.448 7.686 -0.238 19811 3892 1 11 . 1 1 61 61 GLY N N 61 109.141 109.141 107.877 1.264 19811 3893 1 11 . 1 1 61 61 GLY CA C 61 46.380 46.380 44.991 1.389 19811 3894 1 11 . 1 1 61 61 GLY H H 61 8.067 8.067 7.974 0.093 19811 3895 1 11 . 1 1 62 62 ILE N N 62 120.506 120.506 122.112 -1.606 19811 3896 1 11 . 1 1 62 62 ILE HA H 62 3.614 3.614 4.334 -0.720 19811 3897 1 11 . 1 1 62 62 ILE CA C 62 61.392 61.392 60.804 0.588 19811 3898 1 11 . 1 1 62 62 ILE CB C 62 36.445 36.445 38.422 -1.978 19811 3899 1 11 . 1 1 62 62 ILE H H 62 7.416 7.416 7.626 -0.210 19811 3900 1 11 . 1 1 63 63 THR N N 63 117.984 117.984 118.715 -0.731 19811 3901 1 11 . 1 1 63 63 THR HA H 63 4.528 4.528 4.863 -0.335 19811 3902 1 11 . 1 1 63 63 THR CA C 63 58.942 58.942 59.101 -0.159 19811 3903 1 11 . 1 1 63 63 THR CB C 63 68.304 68.304 69.073 -0.769 19811 3904 1 11 . 1 1 63 63 THR H H 63 7.408 7.408 8.213 -0.805 19811 3905 1 11 . 1 1 64 64 PRO HA H 64 4.237 4.237 4.392 -0.155 19811 3906 1 11 . 1 1 64 64 PRO CA C 64 64.568 64.568 63.029 1.539 19811 3907 1 11 . 1 1 64 64 PRO CB C 64 31.861 31.861 31.843 0.018 19811 3908 1 11 . 1 1 65 65 GLY N N 65 112.539 112.539 110.831 1.708 19811 3909 1 11 . 1 1 65 65 GLY CA C 65 44.719 44.719 44.997 -0.278 19811 3910 1 11 . 1 1 65 65 GLY H H 65 9.286 9.286 8.364 0.922 19811 3911 1 11 . 1 1 66 66 SER N N 66 116.523 116.523 116.253 0.270 19811 3912 1 11 . 1 1 66 66 SER HA H 66 4.535 4.535 4.756 -0.221 19811 3913 1 11 . 1 1 66 66 SER CA C 66 60.415 60.415 56.441 3.974 19811 3914 1 11 . 1 1 66 66 SER CB C 66 64.604 64.604 64.864 -0.260 19811 3915 1 11 . 1 1 66 66 SER H H 66 7.822 7.822 7.890 -0.068 19811 3916 1 11 . 1 1 67 67 THR N N 67 118.238 118.238 115.710 2.528 19811 3917 1 11 . 1 1 67 67 THR HA H 67 5.342 5.342 4.426 0.916 19811 3918 1 11 . 1 1 67 67 THR CA C 67 62.059 62.059 61.734 0.325 19811 3919 1 11 . 1 1 67 67 THR CB C 67 70.858 70.858 68.836 2.022 19811 3920 1 11 . 1 1 67 67 THR H H 67 8.715 8.715 8.297 0.418 19811 3921 1 11 . 1 1 68 68 ILE N N 68 126.891 126.891 127.292 -0.401 19811 3922 1 11 . 1 1 68 68 ILE HA H 68 4.761 4.761 4.320 0.441 19811 3923 1 11 . 1 1 68 68 ILE CA C 68 59.434 59.434 60.670 -1.236 19811 3924 1 11 . 1 1 68 68 ILE CB C 68 40.783 40.783 39.744 1.039 19811 3925 1 11 . 1 1 68 68 ILE H H 68 9.097 9.097 8.554 0.543 19811 3926 1 11 . 1 1 69 69 THR N N 69 120.333 120.333 119.803 0.530 19811 3927 1 11 . 1 1 69 69 THR HA H 69 4.566 4.566 5.003 -0.437 19811 3928 1 11 . 1 1 69 69 THR CA C 69 63.014 63.014 60.510 2.504 19811 3929 1 11 . 1 1 69 69 THR CB C 69 70.043 70.043 69.772 0.271 19811 3930 1 11 . 1 1 69 69 THR H H 69 8.903 8.903 8.136 0.767 19811 3931 1 11 . 1 1 70 70 LEU N N 70 126.490 126.490 123.044 3.446 19811 3932 1 11 . 1 1 70 70 LEU HA H 70 4.984 4.984 5.164 -0.180 19811 3933 1 11 . 1 1 70 70 LEU CA C 70 54.088 54.088 53.090 0.998 19811 3934 1 11 . 1 1 70 70 LEU CB C 70 44.772 44.772 43.882 0.890 19811 3935 1 11 . 1 1 70 70 LEU H H 70 8.191 8.191 8.073 0.118 19811 3936 1 11 . 1 1 71 71 GLU N N 71 125.912 125.912 119.341 6.571 19811 3937 1 11 . 1 1 71 71 GLU HA H 71 4.505 4.505 4.697 -0.192 19811 3938 1 11 . 1 1 71 71 GLU CA C 71 54.828 54.828 55.237 -0.409 19811 3939 1 11 . 1 1 71 71 GLU CB C 71 33.391 33.391 33.782 -0.391 19811 3940 1 11 . 1 1 71 71 GLU H H 71 9.089 9.089 8.445 0.644 19811 3941 1 11 . 1 1 72 72 ILE N N 72 123.229 123.229 121.450 1.779 19811 3942 1 11 . 1 1 72 72 ILE HA H 72 4.570 4.570 4.921 -0.351 19811 3943 1 11 . 1 1 72 72 ILE CA C 72 59.629 59.629 59.726 -0.097 19811 3944 1 11 . 1 1 72 72 ILE CB C 72 38.376 38.376 40.703 -2.327 19811 3945 1 11 . 1 1 72 72 ILE H H 72 8.526 8.526 8.516 0.010 19811 3946 1 11 . 1 1 73 73 LYS N N 73 129.392 129.392 124.527 4.865 19811 3947 1 11 . 1 1 73 73 LYS HA H 73 4.178 4.178 4.469 -0.291 19811 3948 1 11 . 1 1 73 73 LYS CA C 73 56.564 56.564 55.847 0.717 19811 3949 1 11 . 1 1 73 73 LYS CB C 73 33.320 33.320 33.198 0.122 19811 3950 1 11 . 1 1 73 73 LYS H H 73 8.837 8.837 8.494 0.343 19811 3951 1 11 . 1 1 74 74 LYS N N 74 123.476 123.476 117.660 5.816 19811 3952 1 11 . 1 1 74 74 LYS HA H 74 4.255 4.255 3.882 0.373 19811 3953 1 11 . 1 1 74 74 LYS CA C 74 56.000 56.000 58.426 -2.426 19811 3954 1 11 . 1 1 74 74 LYS CB C 74 33.223 33.223 31.813 1.410 19811 3955 1 11 . 1 1 74 74 LYS H H 74 8.266 8.266 8.682 -0.416 19811 3956 1 11 . 1 1 75 75 LYS N N 75 124.450 124.450 122.061 2.389 19811 3957 1 11 . 1 1 75 75 LYS HA H 75 4.245 4.245 4.301 -0.056 19811 3958 1 11 . 1 1 75 75 LYS CA C 75 56.677 56.677 56.362 0.315 19811 3959 1 11 . 1 1 75 75 LYS CB C 75 32.876 32.876 32.831 0.045 19811 3960 1 11 . 1 1 75 75 LYS H H 75 8.572 8.572 7.953 0.619 19811 3961 1 11 . 1 1 76 76 GLY N N 76 110.666 110.666 111.321 -0.655 19811 3962 1 11 . 1 1 76 76 GLY CA C 76 45.330 45.330 44.941 0.390 19811 3963 1 11 . 1 1 76 76 GLY H H 76 8.549 8.549 8.634 -0.085 19811 3964 1 11 . 1 1 77 77 GLY N N 77 108.740 108.740 108.164 0.576 19811 3965 1 11 . 1 1 77 77 GLY CA C 77 45.300 45.300 45.341 -0.041 19811 3966 1 11 . 1 1 77 77 GLY H H 77 8.332 8.332 8.018 0.314 19811 3967 1 11 . 1 1 78 78 LEU N N 78 121.371 121.371 122.523 -1.152 19811 3968 1 11 . 1 1 78 78 LEU HA H 78 4.263 4.263 4.754 -0.491 19811 3969 1 11 . 1 1 78 78 LEU CA C 78 55.127 55.127 54.963 0.164 19811 3970 1 11 . 1 1 78 78 LEU CB C 78 42.290 42.290 44.218 -1.928 19811 3971 1 11 . 1 1 78 78 LEU H H 78 8.165 8.165 8.241 -0.076 19811 3972 1 12 . 1 1 2 2 ASP N N 2 121.707 121.707 117.002 4.705 19811 3973 1 12 . 1 1 2 2 ASP HA H 2 4.798 4.798 4.884 -0.086 19811 3974 1 12 . 1 1 2 2 ASP CA C 2 54.249 54.249 54.573 -0.324 19811 3975 1 12 . 1 1 2 2 ASP CB C 2 42.163 42.163 43.263 -1.100 19811 3976 1 12 . 1 1 2 2 ASP H H 2 8.479 8.479 8.251 0.228 19811 3977 1 12 . 1 1 3 3 THR N N 3 109.876 109.876 113.270 -3.394 19811 3978 1 12 . 1 1 3 3 THR HA H 3 5.324 5.324 5.233 0.091 19811 3979 1 12 . 1 1 3 3 THR CA C 3 59.553 59.553 60.711 -1.158 19811 3980 1 12 . 1 1 3 3 THR CB C 3 72.235 72.235 70.318 1.917 19811 3981 1 12 . 1 1 3 3 THR H H 3 7.857 7.857 7.633 0.224 19811 3982 1 12 . 1 1 4 4 ILE N N 4 115.792 115.792 116.318 -0.526 19811 3983 1 12 . 1 1 4 4 ILE HA H 4 4.464 4.464 4.603 -0.139 19811 3984 1 12 . 1 1 4 4 ILE CA C 4 59.314 59.314 59.559 -0.244 19811 3985 1 12 . 1 1 4 4 ILE CB C 4 41.940 41.940 41.439 0.501 19811 3986 1 12 . 1 1 4 4 ILE H H 4 8.665 8.665 8.385 0.280 19811 3987 1 12 . 1 1 5 5 ASN N N 5 119.913 119.913 119.584 0.329 19811 3988 1 12 . 1 1 5 5 ASN HA H 5 5.438 5.438 5.524 -0.086 19811 3989 1 12 . 1 1 5 5 ASN CA C 5 51.594 51.594 51.910 -0.316 19811 3990 1 12 . 1 1 5 5 ASN CB C 5 41.031 41.031 41.370 -0.339 19811 3991 1 12 . 1 1 5 5 ASN H H 5 8.457 8.457 8.298 0.159 19811 3992 1 12 . 1 1 6 6 ILE N N 6 122.674 122.674 125.438 -2.764 19811 3993 1 12 . 1 1 6 6 ILE HA H 6 5.035 5.035 4.379 0.656 19811 3994 1 12 . 1 1 6 6 ILE CA C 6 57.857 57.857 60.477 -2.620 19811 3995 1 12 . 1 1 6 6 ILE CB C 6 38.947 38.947 39.294 -0.347 19811 3996 1 12 . 1 1 6 6 ILE H H 6 9.426 9.426 8.285 1.141 19811 3997 1 12 . 1 1 7 7 THR N N 7 124.398 124.398 124.015 0.383 19811 3998 1 12 . 1 1 7 7 THR HA H 7 4.512 4.512 4.865 -0.353 19811 3999 1 12 . 1 1 7 7 THR CA C 7 62.639 62.639 61.745 0.894 19811 4000 1 12 . 1 1 7 7 THR CB C 7 69.074 69.074 68.621 0.453 19811 4001 1 12 . 1 1 7 7 THR H H 7 9.152 9.152 8.094 1.058 19811 4002 1 12 . 1 1 8 8 LEU N N 8 127.909 127.909 124.915 2.994 19811 4003 1 12 . 1 1 8 8 LEU HA H 8 4.601 4.601 5.065 -0.464 19811 4004 1 12 . 1 1 8 8 LEU CA C 8 53.537 53.537 51.847 1.690 19811 4005 1 12 . 1 1 8 8 LEU CB C 8 39.928 39.928 40.974 -1.046 19811 4006 1 12 . 1 1 8 8 LEU H H 8 8.992 8.992 7.757 1.235 19811 4007 1 12 . 1 1 9 9 PRO HA H 9 4.419 4.419 4.241 0.178 19811 4008 1 12 . 1 1 9 9 PRO CA C 9 65.184 65.184 65.843 -0.659 19811 4009 1 12 . 1 1 9 9 PRO CB C 9 31.999 31.999 31.595 0.404 19811 4010 1 12 . 1 1 10 10 ASP N N 10 113.521 113.521 116.124 -2.603 19811 4011 1 12 . 1 1 10 10 ASP HA H 10 4.490 4.490 4.519 -0.029 19811 4012 1 12 . 1 1 10 10 ASP CA C 10 53.129 53.129 54.326 -1.197 19811 4013 1 12 . 1 1 10 10 ASP CB C 10 39.986 39.986 41.053 -1.067 19811 4014 1 12 . 1 1 10 10 ASP H H 10 7.678 7.678 8.043 -0.365 19811 4015 1 12 . 1 1 11 11 GLY N N 11 108.658 108.658 107.152 1.506 19811 4016 1 12 . 1 1 11 11 GLY CA C 11 45.218 45.218 44.858 0.359 19811 4017 1 12 . 1 1 11 11 GLY H H 11 8.376 8.376 7.790 0.586 19811 4018 1 12 . 1 1 12 12 LYS N N 12 121.449 121.449 120.838 0.611 19811 4019 1 12 . 1 1 12 12 LYS HA H 12 4.331 4.331 4.559 -0.228 19811 4020 1 12 . 1 1 12 12 LYS CA C 12 56.660 56.660 55.875 0.785 19811 4021 1 12 . 1 1 12 12 LYS CB C 12 33.199 33.199 33.343 -0.144 19811 4022 1 12 . 1 1 12 12 LYS H H 12 7.766 7.766 8.000 -0.234 19811 4023 1 12 . 1 1 13 13 THR N N 13 113.928 113.928 111.683 2.245 19811 4024 1 12 . 1 1 13 13 THR HA H 13 5.193 5.193 5.449 -0.256 19811 4025 1 12 . 1 1 13 13 THR CA C 13 61.734 61.734 60.476 1.258 19811 4026 1 12 . 1 1 13 13 THR CB C 13 71.481 71.481 71.627 -0.146 19811 4027 1 12 . 1 1 13 13 THR H H 13 8.248 8.248 8.099 0.149 19811 4028 1 12 . 1 1 14 14 LEU N N 14 128.446 128.446 122.503 5.943 19811 4029 1 12 . 1 1 14 14 LEU HA H 14 4.739 4.739 4.715 0.024 19811 4030 1 12 . 1 1 14 14 LEU CA C 14 53.403 53.403 54.606 -1.203 19811 4031 1 12 . 1 1 14 14 LEU CB C 14 45.480 45.480 46.097 -0.617 19811 4032 1 12 . 1 1 14 14 LEU H H 14 9.270 9.270 8.144 1.126 19811 4033 1 12 . 1 1 15 15 THR N N 15 123.048 123.048 117.833 5.215 19811 4034 1 12 . 1 1 15 15 THR HA H 15 5.191 5.191 5.241 -0.050 19811 4035 1 12 . 1 1 15 15 THR CA C 15 61.986 61.986 61.602 0.384 19811 4036 1 12 . 1 1 15 15 THR CB C 15 70.339 70.339 69.644 0.695 19811 4037 1 12 . 1 1 15 15 THR H H 15 8.759 8.759 8.280 0.479 19811 4038 1 12 . 1 1 16 16 LEU N N 16 125.874 125.874 127.238 -1.364 19811 4039 1 12 . 1 1 16 16 LEU HA H 16 4.770 4.770 4.748 0.022 19811 4040 1 12 . 1 1 16 16 LEU CA C 16 53.222 53.222 53.661 -0.439 19811 4041 1 12 . 1 1 16 16 LEU CB C 16 45.322 45.322 46.852 -1.530 19811 4042 1 12 . 1 1 16 16 LEU H H 16 8.551 8.551 8.049 0.502 19811 4043 1 12 . 1 1 17 17 THR N N 17 117.080 117.080 118.544 -1.464 19811 4044 1 12 . 1 1 17 17 THR HA H 17 4.629 4.629 4.938 -0.309 19811 4045 1 12 . 1 1 17 17 THR CA C 17 61.950 61.950 61.619 0.331 19811 4046 1 12 . 1 1 17 17 THR CB C 17 69.202 69.202 69.527 -0.325 19811 4047 1 12 . 1 1 17 17 THR H H 17 8.342 8.342 8.258 0.084 19811 4048 1 12 . 1 1 18 18 VAL N N 18 116.699 116.699 123.311 -6.612 19811 4049 1 12 . 1 1 18 18 VAL HA H 18 3.910 3.910 4.426 -0.516 19811 4050 1 12 . 1 1 18 18 VAL CA C 18 58.565 58.565 60.005 -1.440 19811 4051 1 12 . 1 1 18 18 VAL CB C 18 35.910 35.910 33.214 2.696 19811 4052 1 12 . 1 1 18 18 VAL H H 18 8.131 8.131 7.929 0.202 19811 4053 1 12 . 1 1 19 19 THR N N 19 110.389 110.389 112.707 -2.318 19811 4054 1 12 . 1 1 19 19 THR HA H 19 4.807 4.807 4.872 -0.065 19811 4055 1 12 . 1 1 19 19 THR CA C 19 58.916 58.916 58.780 0.136 19811 4056 1 12 . 1 1 19 19 THR CB C 19 68.674 68.674 70.024 -1.350 19811 4057 1 12 . 1 1 19 19 THR H H 19 6.219 6.219 7.818 -1.599 19811 4058 1 12 . 1 1 20 20 PRO HA H 20 4.382 4.382 4.478 -0.096 19811 4059 1 12 . 1 1 20 20 PRO CA C 20 65.110 65.110 64.187 0.923 19811 4060 1 12 . 1 1 20 20 PRO CB C 20 31.996 31.996 31.974 0.022 19811 4061 1 12 . 1 1 21 21 GLU N N 21 113.087 113.087 116.576 -3.489 19811 4062 1 12 . 1 1 21 21 GLU HA H 21 4.350 4.350 4.373 -0.023 19811 4063 1 12 . 1 1 21 21 GLU CA C 21 56.513 56.513 56.254 0.259 19811 4064 1 12 . 1 1 21 21 GLU CB C 21 29.153 29.153 29.982 -0.829 19811 4065 1 12 . 1 1 21 21 GLU H H 21 7.960 7.960 8.381 -0.421 19811 4066 1 12 . 1 1 22 22 PHE N N 22 123.828 123.828 119.695 4.133 19811 4067 1 12 . 1 1 22 22 PHE HA H 22 4.518 4.518 4.544 -0.026 19811 4068 1 12 . 1 1 22 22 PHE CA C 22 58.778 58.778 58.721 0.057 19811 4069 1 12 . 1 1 22 22 PHE CB C 22 40.224 40.224 40.110 0.114 19811 4070 1 12 . 1 1 22 22 PHE H H 22 7.724 7.724 7.528 0.196 19811 4071 1 12 . 1 1 23 23 THR N N 23 114.031 114.031 113.633 0.398 19811 4072 1 12 . 1 1 23 23 THR HA H 23 4.791 4.791 4.471 0.320 19811 4073 1 12 . 1 1 23 23 THR CA C 23 60.340 60.340 60.455 -0.115 19811 4074 1 12 . 1 1 23 23 THR CB C 23 71.791 71.791 70.829 0.962 19811 4075 1 12 . 1 1 23 23 THR H H 23 8.504 8.504 7.810 0.694 19811 4076 1 12 . 1 1 24 24 VAL N N 24 122.541 122.541 119.996 2.545 19811 4077 1 12 . 1 1 24 24 VAL HA H 24 3.427 3.427 3.720 -0.293 19811 4078 1 12 . 1 1 24 24 VAL CA C 24 66.745 66.745 66.672 0.073 19811 4079 1 12 . 1 1 24 24 VAL CB C 24 30.735 30.735 31.325 -0.590 19811 4080 1 12 . 1 1 24 24 VAL H H 24 8.918 8.918 8.298 0.620 19811 4081 1 12 . 1 1 25 25 LYS N N 25 121.079 121.079 119.426 1.653 19811 4082 1 12 . 1 1 25 25 LYS HA H 25 3.912 3.912 4.052 -0.140 19811 4083 1 12 . 1 1 25 25 LYS CA C 25 59.950 59.950 59.553 0.397 19811 4084 1 12 . 1 1 25 25 LYS CB C 25 32.824 32.824 32.133 0.691 19811 4085 1 12 . 1 1 25 25 LYS H H 25 8.622 8.622 8.362 0.260 19811 4086 1 12 . 1 1 26 26 GLU N N 26 118.646 118.646 120.692 -2.046 19811 4087 1 12 . 1 1 26 26 GLU HA H 26 3.859 3.859 4.374 -0.515 19811 4088 1 12 . 1 1 26 26 GLU CA C 26 59.012 59.012 59.005 0.007 19811 4089 1 12 . 1 1 26 26 GLU CB C 26 29.344 29.344 29.502 -0.158 19811 4090 1 12 . 1 1 26 26 GLU H H 26 7.734 7.734 7.511 0.223 19811 4091 1 12 . 1 1 27 27 LEU N N 27 122.155 122.155 120.492 1.663 19811 4092 1 12 . 1 1 27 27 LEU HA H 27 4.136 4.136 4.376 -0.240 19811 4093 1 12 . 1 1 27 27 LEU CA C 27 58.226 58.226 57.996 0.230 19811 4094 1 12 . 1 1 27 27 LEU CB C 27 41.986 41.986 42.192 -0.206 19811 4095 1 12 . 1 1 27 27 LEU H H 27 8.000 8.000 8.481 -0.481 19811 4096 1 12 . 1 1 28 28 ALA N N 28 121.362 121.362 120.424 0.938 19811 4097 1 12 . 1 1 28 28 ALA HA H 28 3.837 3.837 4.078 -0.241 19811 4098 1 12 . 1 1 28 28 ALA CA C 28 55.872 55.872 55.122 0.750 19811 4099 1 12 . 1 1 28 28 ALA CB C 28 17.902 17.902 18.238 -0.336 19811 4100 1 12 . 1 1 28 28 ALA H H 28 8.899 8.899 7.787 1.112 19811 4101 1 12 . 1 1 29 29 GLU N N 29 116.582 116.582 118.113 -1.531 19811 4102 1 12 . 1 1 29 29 GLU HA H 29 3.814 3.814 4.024 -0.210 19811 4103 1 12 . 1 1 29 29 GLU CA C 29 59.849 59.849 58.907 0.942 19811 4104 1 12 . 1 1 29 29 GLU CB C 29 29.185 29.185 29.086 0.099 19811 4105 1 12 . 1 1 29 29 GLU H H 29 8.437 8.437 7.912 0.525 19811 4106 1 12 . 1 1 30 30 GLU N N 30 121.430 121.430 120.121 1.309 19811 4107 1 12 . 1 1 30 30 GLU HA H 30 4.293 4.293 4.138 0.155 19811 4108 1 12 . 1 1 30 30 GLU CA C 30 58.829 58.829 59.033 -0.204 19811 4109 1 12 . 1 1 30 30 GLU CB C 30 28.720 28.720 29.976 -1.256 19811 4110 1 12 . 1 1 30 30 GLU H H 30 7.877 7.877 7.593 0.284 19811 4111 1 12 . 1 1 31 31 ILE N N 31 119.644 119.644 119.590 0.054 19811 4112 1 12 . 1 1 31 31 ILE HA H 31 3.289 3.289 3.846 -0.557 19811 4113 1 12 . 1 1 31 31 ILE CA C 31 65.937 65.937 63.363 2.574 19811 4114 1 12 . 1 1 31 31 ILE CB C 31 38.338 38.338 38.043 0.295 19811 4115 1 12 . 1 1 31 31 ILE H H 31 8.438 8.438 7.450 0.988 19811 4116 1 12 . 1 1 32 32 ALA N N 32 120.190 120.190 122.050 -1.860 19811 4117 1 12 . 1 1 32 32 ALA HA H 32 3.637 3.637 4.043 -0.406 19811 4118 1 12 . 1 1 32 32 ALA CA C 32 56.071 56.071 54.912 1.159 19811 4119 1 12 . 1 1 32 32 ALA CB C 32 17.287 17.287 18.089 -0.802 19811 4120 1 12 . 1 1 32 32 ALA H H 32 8.609 8.609 8.102 0.507 19811 4121 1 12 . 1 1 33 33 ARG N N 33 116.846 116.846 116.774 0.072 19811 4122 1 12 . 1 1 33 33 ARG HA H 33 4.085 4.085 4.090 -0.005 19811 4123 1 12 . 1 1 33 33 ARG CA C 33 59.367 59.367 58.723 0.644 19811 4124 1 12 . 1 1 33 33 ARG CB C 33 30.575 30.575 30.310 0.265 19811 4125 1 12 . 1 1 33 33 ARG H H 33 7.817 7.817 7.658 0.159 19811 4126 1 12 . 1 1 34 34 ARG N N 34 118.212 118.212 117.823 0.389 19811 4127 1 12 . 1 1 34 34 ARG HA H 34 4.078 4.078 4.220 -0.142 19811 4128 1 12 . 1 1 34 34 ARG CA C 34 58.321 58.321 58.233 0.088 19811 4129 1 12 . 1 1 34 34 ARG CB C 34 29.771 29.771 30.240 -0.469 19811 4130 1 12 . 1 1 34 34 ARG H H 34 7.922 7.922 7.672 0.250 19811 4131 1 12 . 1 1 35 35 LEU N N 35 115.523 115.523 118.222 -2.699 19811 4132 1 12 . 1 1 35 35 LEU HA H 35 4.426 4.426 4.467 -0.041 19811 4133 1 12 . 1 1 35 35 LEU CA C 35 54.601 54.601 55.330 -0.729 19811 4134 1 12 . 1 1 35 35 LEU CB C 35 42.895 42.895 42.725 0.170 19811 4135 1 12 . 1 1 35 35 LEU H H 35 7.999 7.999 7.552 0.447 19811 4136 1 12 . 1 1 36 36 GLY N N 36 110.277 110.277 107.606 2.671 19811 4137 1 12 . 1 1 36 36 GLY CA C 36 46.906 46.906 45.552 1.354 19811 4138 1 12 . 1 1 36 36 GLY H H 36 7.864 7.864 7.991 -0.127 19811 4139 1 12 . 1 1 37 37 LEU N N 37 119.310 119.310 118.932 0.378 19811 4140 1 12 . 1 1 37 37 LEU HA H 37 4.691 4.691 4.757 -0.066 19811 4141 1 12 . 1 1 37 37 LEU CA C 37 52.642 52.642 53.062 -0.420 19811 4142 1 12 . 1 1 37 37 LEU CB C 37 45.355 45.355 44.991 0.364 19811 4143 1 12 . 1 1 37 37 LEU H H 37 8.025 8.025 7.709 0.316 19811 4144 1 12 . 1 1 38 38 SER N N 38 115.906 115.906 116.120 -0.214 19811 4145 1 12 . 1 1 38 38 SER HA H 38 4.955 4.955 4.883 0.072 19811 4146 1 12 . 1 1 38 38 SER CA C 38 55.376 55.376 55.825 -0.449 19811 4147 1 12 . 1 1 38 38 SER CB C 38 63.732 63.732 63.626 0.106 19811 4148 1 12 . 1 1 38 38 SER H H 38 8.662 8.662 8.344 0.318 19811 4149 1 12 . 1 1 39 39 PRO HA H 39 3.976 3.976 4.266 -0.290 19811 4150 1 12 . 1 1 39 39 PRO CA C 39 65.434 65.434 64.607 0.827 19811 4151 1 12 . 1 1 39 39 PRO CB C 39 31.527 31.527 31.987 -0.460 19811 4152 1 12 . 1 1 40 40 GLU N N 40 115.609 115.609 115.224 0.385 19811 4153 1 12 . 1 1 40 40 GLU HA H 40 4.115 4.115 4.227 -0.112 19811 4154 1 12 . 1 1 40 40 GLU CA C 40 57.861 57.861 57.190 0.671 19811 4155 1 12 . 1 1 40 40 GLU CB C 40 28.842 28.842 29.433 -0.591 19811 4156 1 12 . 1 1 40 40 GLU H H 40 8.455 8.455 8.435 0.020 19811 4157 1 12 . 1 1 41 41 ASP N N 41 118.239 118.239 118.709 -0.470 19811 4158 1 12 . 1 1 41 41 ASP HA H 41 4.711 4.711 4.760 -0.049 19811 4159 1 12 . 1 1 41 41 ASP CA C 41 54.862 54.862 55.788 -0.926 19811 4160 1 12 . 1 1 41 41 ASP CB C 41 41.920 41.920 42.864 -0.944 19811 4161 1 12 . 1 1 41 41 ASP H H 41 7.814 7.814 7.895 -0.081 19811 4162 1 12 . 1 1 42 42 ILE N N 42 116.579 116.579 119.720 -3.141 19811 4163 1 12 . 1 1 42 42 ILE HA H 42 4.305 4.305 4.097 0.208 19811 4164 1 12 . 1 1 42 42 ILE CA C 42 60.232 60.232 61.471 -1.239 19811 4165 1 12 . 1 1 42 42 ILE CB C 42 39.070 39.070 38.318 0.752 19811 4166 1 12 . 1 1 42 42 ILE H H 42 7.069 7.069 7.344 -0.275 19811 4167 1 12 . 1 1 43 43 LYS N N 43 128.374 128.374 126.772 1.602 19811 4168 1 12 . 1 1 43 43 LYS HA H 43 4.489 4.489 4.668 -0.179 19811 4169 1 12 . 1 1 43 43 LYS CA C 43 54.924 54.924 54.922 0.002 19811 4170 1 12 . 1 1 43 43 LYS CB C 43 35.322 35.322 36.461 -1.139 19811 4171 1 12 . 1 1 43 43 LYS H H 43 8.709 8.709 8.064 0.645 19811 4172 1 12 . 1 1 44 44 LEU N N 44 126.700 126.700 126.271 0.429 19811 4173 1 12 . 1 1 44 44 LEU HA H 44 5.368 5.368 4.589 0.779 19811 4174 1 12 . 1 1 44 44 LEU CA C 44 52.839 52.839 54.446 -1.607 19811 4175 1 12 . 1 1 44 44 LEU CB C 44 44.529 44.529 43.341 1.188 19811 4176 1 12 . 1 1 44 44 LEU H H 44 8.929 8.929 8.928 0.001 19811 4177 1 12 . 1 1 45 45 THR N N 45 112.945 112.945 119.667 -6.722 19811 4178 1 12 . 1 1 45 45 THR HA H 45 5.282 5.282 4.959 0.323 19811 4179 1 12 . 1 1 45 45 THR CA C 45 59.240 59.240 61.674 -2.434 19811 4180 1 12 . 1 1 45 45 THR CB C 45 72.146 72.146 70.017 2.129 19811 4181 1 12 . 1 1 45 45 THR H H 45 8.846 8.846 8.383 0.463 19811 4182 1 12 . 1 1 46 46 HIS N N 46 120.347 120.347 125.487 -5.140 19811 4183 1 12 . 1 1 46 46 HIS HA H 46 4.956 4.956 4.910 0.046 19811 4184 1 12 . 1 1 46 46 HIS CA C 46 55.757 55.757 55.561 0.196 19811 4185 1 12 . 1 1 46 46 HIS CB C 46 34.673 34.673 33.465 1.208 19811 4186 1 12 . 1 1 46 46 HIS H H 46 8.620 8.620 9.090 -0.470 19811 4187 1 12 . 1 1 47 47 ASN N N 47 128.187 128.187 124.732 3.455 19811 4188 1 12 . 1 1 47 47 ASN HA H 47 4.178 4.178 4.272 -0.094 19811 4189 1 12 . 1 1 47 47 ASN CA C 47 53.481 53.481 54.023 -0.542 19811 4190 1 12 . 1 1 47 47 ASN CB C 47 36.888 36.888 37.318 -0.430 19811 4191 1 12 . 1 1 47 47 ASN H H 47 9.136 9.136 8.834 0.302 19811 4192 1 12 . 1 1 48 48 GLY N N 48 103.028 103.028 105.229 -2.201 19811 4193 1 12 . 1 1 48 48 GLY CA C 48 45.279 45.279 44.817 0.462 19811 4194 1 12 . 1 1 48 48 GLY H H 48 8.633 8.633 8.332 0.301 19811 4195 1 12 . 1 1 49 49 LYS N N 49 121.730 121.730 121.962 -0.232 19811 4196 1 12 . 1 1 49 49 LYS HA H 49 4.572 4.572 4.737 -0.165 19811 4197 1 12 . 1 1 49 49 LYS CA C 49 54.677 54.677 55.034 -0.357 19811 4198 1 12 . 1 1 49 49 LYS CB C 49 33.823 33.823 34.075 -0.252 19811 4199 1 12 . 1 1 49 49 LYS H H 49 7.790 7.790 8.058 -0.268 19811 4200 1 12 . 1 1 50 50 THR N N 50 121.190 121.190 112.728 8.462 19811 4201 1 12 . 1 1 50 50 THR HA H 50 4.254 4.254 5.088 -0.834 19811 4202 1 12 . 1 1 50 50 THR CA C 50 63.304 63.304 60.482 2.822 19811 4203 1 12 . 1 1 50 50 THR CB C 50 68.732 68.732 70.466 -1.734 19811 4204 1 12 . 1 1 50 50 THR H H 50 8.735 8.735 8.227 0.508 19811 4205 1 12 . 1 1 51 51 LEU N N 51 127.406 127.406 122.923 4.483 19811 4206 1 12 . 1 1 51 51 LEU HA H 51 3.973 3.973 4.163 -0.190 19811 4207 1 12 . 1 1 51 51 LEU CA C 51 54.125 54.125 54.264 -0.140 19811 4208 1 12 . 1 1 51 51 LEU CB C 51 41.715 41.715 43.022 -1.307 19811 4209 1 12 . 1 1 51 51 LEU H H 51 8.586 8.586 8.203 0.383 19811 4210 1 12 . 1 1 52 52 ASP N N 52 126.711 126.711 124.882 1.829 19811 4211 1 12 . 1 1 52 52 ASP HA H 52 4.840 4.840 4.971 -0.131 19811 4212 1 12 . 1 1 52 52 ASP CA C 52 51.377 51.377 52.252 -0.875 19811 4213 1 12 . 1 1 52 52 ASP CB C 52 43.019 43.019 42.525 0.494 19811 4214 1 12 . 1 1 52 52 ASP H H 52 8.974 8.974 8.149 0.825 19811 4215 1 12 . 1 1 53 53 PRO HA H 53 4.095 4.095 4.457 -0.362 19811 4216 1 12 . 1 1 53 53 PRO CA C 53 64.240 64.240 64.425 -0.185 19811 4217 1 12 . 1 1 53 53 PRO CB C 53 33.077 33.077 32.243 0.834 19811 4218 1 12 . 1 1 54 54 SER N N 54 110.024 110.024 112.833 -2.809 19811 4219 1 12 . 1 1 54 54 SER HA H 54 4.330 4.330 4.329 0.001 19811 4220 1 12 . 1 1 54 54 SER CA C 54 59.971 59.971 59.142 0.829 19811 4221 1 12 . 1 1 54 54 SER CB C 54 63.881 63.881 63.208 0.673 19811 4222 1 12 . 1 1 54 54 SER H H 54 8.643 8.643 8.378 0.265 19811 4223 1 12 . 1 1 55 55 LEU N N 55 123.514 123.514 120.359 3.155 19811 4224 1 12 . 1 1 55 55 LEU HA H 55 4.645 4.645 4.516 0.129 19811 4225 1 12 . 1 1 55 55 LEU CA C 55 50.579 50.579 53.959 -3.381 19811 4226 1 12 . 1 1 55 55 LEU CB C 55 43.928 43.928 43.779 0.149 19811 4227 1 12 . 1 1 55 55 LEU H H 55 7.722 7.722 7.359 0.363 19811 4228 1 12 . 1 1 56 56 THR N N 56 107.845 107.845 109.661 -1.816 19811 4229 1 12 . 1 1 56 56 THR HA H 56 4.921 4.921 4.574 0.347 19811 4230 1 12 . 1 1 56 56 THR CA C 56 60.266 60.266 61.158 -0.892 19811 4231 1 12 . 1 1 56 56 THR CB C 56 71.553 71.553 70.709 0.844 19811 4232 1 12 . 1 1 56 56 THR H H 56 8.335 8.335 8.142 0.193 19811 4233 1 12 . 1 1 57 57 LEU N N 57 118.354 118.354 120.454 -2.100 19811 4234 1 12 . 1 1 57 57 LEU HA H 57 3.992 3.992 4.585 -0.593 19811 4235 1 12 . 1 1 57 57 LEU CA C 57 58.658 58.658 56.853 1.805 19811 4236 1 12 . 1 1 57 57 LEU CB C 57 39.774 39.774 42.312 -2.538 19811 4237 1 12 . 1 1 57 57 LEU H H 57 8.117 8.117 8.804 -0.687 19811 4238 1 12 . 1 1 58 58 ALA N N 58 120.467 120.467 118.515 1.952 19811 4239 1 12 . 1 1 58 58 ALA HA H 58 4.075 4.075 4.221 -0.146 19811 4240 1 12 . 1 1 58 58 ALA CA C 58 55.047 55.047 53.774 1.273 19811 4241 1 12 . 1 1 58 58 ALA CB C 58 18.267 18.267 18.422 -0.155 19811 4242 1 12 . 1 1 58 58 ALA H H 58 8.730 8.730 8.271 0.459 19811 4243 1 12 . 1 1 59 59 GLU N N 59 119.907 119.907 118.112 1.795 19811 4244 1 12 . 1 1 59 59 GLU HA H 59 3.935 3.935 4.184 -0.249 19811 4245 1 12 . 1 1 59 59 GLU CA C 59 58.914 58.914 57.872 1.042 19811 4246 1 12 . 1 1 59 59 GLU CB C 59 29.623 29.623 29.820 -0.197 19811 4247 1 12 . 1 1 59 59 GLU H H 59 7.890 7.890 8.346 -0.456 19811 4248 1 12 . 1 1 60 60 TYR N N 60 116.582 116.582 118.916 -2.334 19811 4249 1 12 . 1 1 60 60 TYR HA H 60 4.554 4.554 4.438 0.116 19811 4250 1 12 . 1 1 60 60 TYR CA C 60 59.463 59.463 59.275 0.188 19811 4251 1 12 . 1 1 60 60 TYR CB C 60 40.288 40.288 39.425 0.863 19811 4252 1 12 . 1 1 60 60 TYR H H 60 7.448 7.448 7.613 -0.165 19811 4253 1 12 . 1 1 61 61 GLY N N 61 109.141 109.141 107.246 1.895 19811 4254 1 12 . 1 1 61 61 GLY CA C 61 46.380 46.380 44.878 1.502 19811 4255 1 12 . 1 1 61 61 GLY H H 61 8.067 8.067 7.866 0.201 19811 4256 1 12 . 1 1 62 62 ILE N N 62 120.506 120.506 121.571 -1.065 19811 4257 1 12 . 1 1 62 62 ILE HA H 62 3.614 3.614 4.303 -0.689 19811 4258 1 12 . 1 1 62 62 ILE CA C 62 61.392 61.392 60.991 0.401 19811 4259 1 12 . 1 1 62 62 ILE CB C 62 36.445 36.445 38.884 -2.439 19811 4260 1 12 . 1 1 62 62 ILE H H 62 7.416 7.416 7.555 -0.139 19811 4261 1 12 . 1 1 63 63 THR N N 63 117.984 117.984 119.002 -1.018 19811 4262 1 12 . 1 1 63 63 THR HA H 63 4.528 4.528 4.830 -0.302 19811 4263 1 12 . 1 1 63 63 THR CA C 63 58.942 58.942 59.224 -0.282 19811 4264 1 12 . 1 1 63 63 THR CB C 63 68.304 68.304 69.282 -0.978 19811 4265 1 12 . 1 1 63 63 THR H H 63 7.408 7.408 8.198 -0.790 19811 4266 1 12 . 1 1 64 64 PRO HA H 64 4.237 4.237 4.359 -0.122 19811 4267 1 12 . 1 1 64 64 PRO CA C 64 64.568 64.568 62.945 1.623 19811 4268 1 12 . 1 1 64 64 PRO CB C 64 31.861 31.861 31.923 -0.062 19811 4269 1 12 . 1 1 65 65 GLY N N 65 112.539 112.539 111.174 1.365 19811 4270 1 12 . 1 1 65 65 GLY CA C 65 44.719 44.719 44.972 -0.253 19811 4271 1 12 . 1 1 65 65 GLY H H 65 9.286 9.286 8.399 0.887 19811 4272 1 12 . 1 1 66 66 SER N N 66 116.523 116.523 116.776 -0.253 19811 4273 1 12 . 1 1 66 66 SER HA H 66 4.535 4.535 4.757 -0.222 19811 4274 1 12 . 1 1 66 66 SER CA C 66 60.415 60.415 57.105 3.311 19811 4275 1 12 . 1 1 66 66 SER CB C 66 64.604 64.604 65.021 -0.417 19811 4276 1 12 . 1 1 66 66 SER H H 66 7.822 7.822 7.894 -0.072 19811 4277 1 12 . 1 1 67 67 THR N N 67 118.238 118.238 115.775 2.463 19811 4278 1 12 . 1 1 67 67 THR HA H 67 5.342 5.342 4.467 0.875 19811 4279 1 12 . 1 1 67 67 THR CA C 67 62.059 62.059 61.904 0.154 19811 4280 1 12 . 1 1 67 67 THR CB C 67 70.858 70.858 69.128 1.730 19811 4281 1 12 . 1 1 67 67 THR H H 67 8.715 8.715 8.254 0.461 19811 4282 1 12 . 1 1 68 68 ILE N N 68 126.891 126.891 126.815 0.076 19811 4283 1 12 . 1 1 68 68 ILE HA H 68 4.761 4.761 4.452 0.309 19811 4284 1 12 . 1 1 68 68 ILE CA C 68 59.434 59.434 60.299 -0.865 19811 4285 1 12 . 1 1 68 68 ILE CB C 68 40.783 40.783 40.267 0.516 19811 4286 1 12 . 1 1 68 68 ILE H H 68 9.097 9.097 8.085 1.012 19811 4287 1 12 . 1 1 69 69 THR N N 69 120.333 120.333 119.787 0.546 19811 4288 1 12 . 1 1 69 69 THR HA H 69 4.566 4.566 4.891 -0.325 19811 4289 1 12 . 1 1 69 69 THR CA C 69 63.014 63.014 61.518 1.496 19811 4290 1 12 . 1 1 69 69 THR CB C 69 70.043 70.043 69.733 0.310 19811 4291 1 12 . 1 1 69 69 THR H H 69 8.903 8.903 8.266 0.637 19811 4292 1 12 . 1 1 70 70 LEU N N 70 126.490 126.490 128.666 -2.176 19811 4293 1 12 . 1 1 70 70 LEU HA H 70 4.984 4.984 4.616 0.368 19811 4294 1 12 . 1 1 70 70 LEU CA C 70 54.088 54.088 54.270 -0.182 19811 4295 1 12 . 1 1 70 70 LEU CB C 70 44.772 44.772 44.078 0.694 19811 4296 1 12 . 1 1 70 70 LEU H H 70 8.191 8.191 8.487 -0.296 19811 4297 1 12 . 1 1 71 71 GLU N N 71 125.912 125.912 125.800 0.112 19811 4298 1 12 . 1 1 71 71 GLU HA H 71 4.505 4.505 4.728 -0.223 19811 4299 1 12 . 1 1 71 71 GLU CA C 71 54.828 54.828 55.228 -0.400 19811 4300 1 12 . 1 1 71 71 GLU CB C 71 33.391 33.391 33.524 -0.133 19811 4301 1 12 . 1 1 71 71 GLU H H 71 9.089 9.089 8.180 0.909 19811 4302 1 12 . 1 1 72 72 ILE N N 72 123.229 123.229 123.443 -0.214 19811 4303 1 12 . 1 1 72 72 ILE HA H 72 4.570 4.570 4.349 0.221 19811 4304 1 12 . 1 1 72 72 ILE CA C 72 59.629 59.629 60.387 -0.758 19811 4305 1 12 . 1 1 72 72 ILE CB C 72 38.376 38.376 39.484 -1.108 19811 4306 1 12 . 1 1 72 72 ILE H H 72 8.526 8.526 8.517 0.009 19811 4307 1 12 . 1 1 73 73 LYS N N 73 129.392 129.392 127.378 2.014 19811 4308 1 12 . 1 1 73 73 LYS HA H 73 4.178 4.178 4.576 -0.398 19811 4309 1 12 . 1 1 73 73 LYS CA C 73 56.564 56.564 55.592 0.972 19811 4310 1 12 . 1 1 73 73 LYS CB C 73 33.320 33.320 33.709 -0.389 19811 4311 1 12 . 1 1 73 73 LYS H H 73 8.837 8.837 8.160 0.677 19811 4312 1 12 . 1 1 74 74 LYS N N 74 123.476 123.476 123.213 0.263 19811 4313 1 12 . 1 1 74 74 LYS HA H 74 4.255 4.255 4.509 -0.254 19811 4314 1 12 . 1 1 74 74 LYS CA C 74 56.000 56.000 55.799 0.201 19811 4315 1 12 . 1 1 74 74 LYS CB C 74 33.223 33.223 33.951 -0.728 19811 4316 1 12 . 1 1 74 74 LYS H H 74 8.266 8.266 8.420 -0.154 19811 4317 1 12 . 1 1 75 75 LYS N N 75 124.450 124.450 122.481 1.969 19811 4318 1 12 . 1 1 75 75 LYS HA H 75 4.245 4.245 4.603 -0.358 19811 4319 1 12 . 1 1 75 75 LYS CA C 75 56.677 56.677 56.107 0.570 19811 4320 1 12 . 1 1 75 75 LYS CB C 75 32.876 32.876 33.946 -1.070 19811 4321 1 12 . 1 1 75 75 LYS H H 75 8.572 8.572 8.559 0.013 19811 4322 1 12 . 1 1 76 76 GLY N N 76 110.666 110.666 109.406 1.260 19811 4323 1 12 . 1 1 76 76 GLY CA C 76 45.330 45.330 45.400 -0.070 19811 4324 1 12 . 1 1 76 76 GLY H H 76 8.549 8.549 8.566 -0.017 19811 4325 1 12 . 1 1 77 77 GLY N N 77 108.740 108.740 108.653 0.087 19811 4326 1 12 . 1 1 77 77 GLY CA C 77 45.300 45.300 45.116 0.184 19811 4327 1 12 . 1 1 77 77 GLY H H 77 8.332 8.332 8.106 0.226 19811 4328 1 12 . 1 1 78 78 LEU N N 78 121.371 121.371 124.957 -3.586 19811 4329 1 12 . 1 1 78 78 LEU HA H 78 4.263 4.263 4.585 -0.322 19811 4330 1 12 . 1 1 78 78 LEU CA C 78 55.127 55.127 54.618 0.509 19811 4331 1 12 . 1 1 78 78 LEU CB C 78 42.290 42.290 42.748 -0.458 19811 4332 1 12 . 1 1 78 78 LEU H H 78 8.165 8.165 8.183 -0.018 19811 4333 1 13 . 1 1 2 2 ASP N N 2 121.707 121.707 119.882 1.825 19811 4334 1 13 . 1 1 2 2 ASP HA H 2 4.798 4.798 4.838 -0.040 19811 4335 1 13 . 1 1 2 2 ASP CA C 2 54.249 54.249 54.199 0.050 19811 4336 1 13 . 1 1 2 2 ASP CB C 2 42.163 42.163 43.064 -0.901 19811 4337 1 13 . 1 1 2 2 ASP H H 2 8.479 8.479 8.587 -0.108 19811 4338 1 13 . 1 1 3 3 THR N N 3 109.876 109.876 112.223 -2.347 19811 4339 1 13 . 1 1 3 3 THR HA H 3 5.324 5.324 5.226 0.098 19811 4340 1 13 . 1 1 3 3 THR CA C 3 59.553 59.553 60.927 -1.374 19811 4341 1 13 . 1 1 3 3 THR CB C 3 72.235 72.235 70.459 1.776 19811 4342 1 13 . 1 1 3 3 THR H H 3 7.857 7.857 7.638 0.219 19811 4343 1 13 . 1 1 4 4 ILE N N 4 115.792 115.792 116.453 -0.661 19811 4344 1 13 . 1 1 4 4 ILE HA H 4 4.464 4.464 4.571 -0.107 19811 4345 1 13 . 1 1 4 4 ILE CA C 4 59.314 59.314 59.410 -0.096 19811 4346 1 13 . 1 1 4 4 ILE CB C 4 41.940 41.940 41.429 0.510 19811 4347 1 13 . 1 1 4 4 ILE H H 4 8.665 8.665 8.782 -0.117 19811 4348 1 13 . 1 1 5 5 ASN N N 5 119.913 119.913 119.303 0.610 19811 4349 1 13 . 1 1 5 5 ASN HA H 5 5.438 5.438 5.798 -0.360 19811 4350 1 13 . 1 1 5 5 ASN CA C 5 51.594 51.594 51.596 -0.002 19811 4351 1 13 . 1 1 5 5 ASN CB C 5 41.031 41.031 41.332 -0.301 19811 4352 1 13 . 1 1 5 5 ASN H H 5 8.457 8.457 8.067 0.390 19811 4353 1 13 . 1 1 6 6 ILE N N 6 122.674 122.674 122.060 0.614 19811 4354 1 13 . 1 1 6 6 ILE HA H 6 5.035 5.035 4.567 0.468 19811 4355 1 13 . 1 1 6 6 ILE CA C 6 57.857 57.857 60.798 -2.942 19811 4356 1 13 . 1 1 6 6 ILE CB C 6 38.947 38.947 40.878 -1.931 19811 4357 1 13 . 1 1 6 6 ILE H H 6 9.426 9.426 8.510 0.916 19811 4358 1 13 . 1 1 7 7 THR N N 7 124.398 124.398 123.369 1.029 19811 4359 1 13 . 1 1 7 7 THR HA H 7 4.512 4.512 4.669 -0.157 19811 4360 1 13 . 1 1 7 7 THR CA C 7 62.639 62.639 62.004 0.635 19811 4361 1 13 . 1 1 7 7 THR CB C 7 69.074 69.074 69.500 -0.426 19811 4362 1 13 . 1 1 7 7 THR H H 7 9.152 9.152 9.047 0.105 19811 4363 1 13 . 1 1 8 8 LEU N N 8 127.909 127.909 125.761 2.148 19811 4364 1 13 . 1 1 8 8 LEU HA H 8 4.601 4.601 4.810 -0.209 19811 4365 1 13 . 1 1 8 8 LEU CA C 8 53.537 53.537 51.904 1.633 19811 4366 1 13 . 1 1 8 8 LEU CB C 8 39.928 39.928 43.311 -3.383 19811 4367 1 13 . 1 1 8 8 LEU H H 8 8.992 8.992 8.051 0.941 19811 4368 1 13 . 1 1 9 9 PRO HA H 9 4.419 4.419 4.396 0.023 19811 4369 1 13 . 1 1 9 9 PRO CA C 9 65.184 65.184 64.467 0.717 19811 4370 1 13 . 1 1 9 9 PRO CB C 9 31.999 31.999 31.572 0.427 19811 4371 1 13 . 1 1 10 10 ASP N N 10 113.521 113.521 116.807 -3.286 19811 4372 1 13 . 1 1 10 10 ASP HA H 10 4.490 4.490 4.600 -0.110 19811 4373 1 13 . 1 1 10 10 ASP CA C 10 53.129 53.129 54.719 -1.590 19811 4374 1 13 . 1 1 10 10 ASP CB C 10 39.986 39.986 41.348 -1.362 19811 4375 1 13 . 1 1 10 10 ASP H H 10 7.678 7.678 8.224 -0.546 19811 4376 1 13 . 1 1 11 11 GLY N N 11 108.658 108.658 107.967 0.691 19811 4377 1 13 . 1 1 11 11 GLY CA C 11 45.218 45.218 44.973 0.245 19811 4378 1 13 . 1 1 11 11 GLY H H 11 8.376 8.376 7.793 0.584 19811 4379 1 13 . 1 1 12 12 LYS N N 12 121.449 121.449 119.988 1.461 19811 4380 1 13 . 1 1 12 12 LYS HA H 12 4.331 4.331 4.645 -0.314 19811 4381 1 13 . 1 1 12 12 LYS CA C 12 56.660 56.660 55.380 1.280 19811 4382 1 13 . 1 1 12 12 LYS CB C 12 33.199 33.199 33.464 -0.265 19811 4383 1 13 . 1 1 12 12 LYS H H 12 7.766 7.766 7.781 -0.015 19811 4384 1 13 . 1 1 13 13 THR N N 13 113.928 113.928 113.174 0.754 19811 4385 1 13 . 1 1 13 13 THR HA H 13 5.193 5.193 5.462 -0.269 19811 4386 1 13 . 1 1 13 13 THR CA C 13 61.734 61.734 60.223 1.511 19811 4387 1 13 . 1 1 13 13 THR CB C 13 71.481 71.481 70.791 0.690 19811 4388 1 13 . 1 1 13 13 THR H H 13 8.248 8.248 8.285 -0.037 19811 4389 1 13 . 1 1 14 14 LEU N N 14 128.446 128.446 122.000 6.446 19811 4390 1 13 . 1 1 14 14 LEU HA H 14 4.739 4.739 4.713 0.026 19811 4391 1 13 . 1 1 14 14 LEU CA C 14 53.403 53.403 54.035 -0.632 19811 4392 1 13 . 1 1 14 14 LEU CB C 14 45.480 45.480 45.803 -0.323 19811 4393 1 13 . 1 1 14 14 LEU H H 14 9.270 9.270 8.402 0.868 19811 4394 1 13 . 1 1 15 15 THR N N 15 123.048 123.048 118.444 4.604 19811 4395 1 13 . 1 1 15 15 THR HA H 15 5.191 5.191 5.175 0.016 19811 4396 1 13 . 1 1 15 15 THR CA C 15 61.986 61.986 61.574 0.412 19811 4397 1 13 . 1 1 15 15 THR CB C 15 70.339 70.339 69.706 0.633 19811 4398 1 13 . 1 1 15 15 THR H H 15 8.759 8.759 8.227 0.532 19811 4399 1 13 . 1 1 16 16 LEU N N 16 125.874 125.874 127.336 -1.462 19811 4400 1 13 . 1 1 16 16 LEU HA H 16 4.770 4.770 4.766 0.004 19811 4401 1 13 . 1 1 16 16 LEU CA C 16 53.222 53.222 53.739 -0.517 19811 4402 1 13 . 1 1 16 16 LEU CB C 16 45.322 45.322 46.462 -1.140 19811 4403 1 13 . 1 1 16 16 LEU H H 16 8.551 8.551 8.889 -0.338 19811 4404 1 13 . 1 1 17 17 THR N N 17 117.080 117.080 120.072 -2.992 19811 4405 1 13 . 1 1 17 17 THR HA H 17 4.629 4.629 4.988 -0.359 19811 4406 1 13 . 1 1 17 17 THR CA C 17 61.950 61.950 61.448 0.502 19811 4407 1 13 . 1 1 17 17 THR CB C 17 69.202 69.202 69.340 -0.138 19811 4408 1 13 . 1 1 17 17 THR H H 17 8.342 8.342 8.281 0.061 19811 4409 1 13 . 1 1 18 18 VAL N N 18 116.699 116.699 122.318 -5.619 19811 4410 1 13 . 1 1 18 18 VAL HA H 18 3.910 3.910 4.106 -0.196 19811 4411 1 13 . 1 1 18 18 VAL CA C 18 58.565 58.565 58.887 -0.322 19811 4412 1 13 . 1 1 18 18 VAL CB C 18 35.910 35.910 34.082 1.828 19811 4413 1 13 . 1 1 18 18 VAL H H 18 8.131 8.131 7.928 0.203 19811 4414 1 13 . 1 1 19 19 THR N N 19 110.389 110.389 106.935 3.454 19811 4415 1 13 . 1 1 19 19 THR HA H 19 4.807 4.807 4.894 -0.087 19811 4416 1 13 . 1 1 19 19 THR CA C 19 58.916 58.916 58.308 0.608 19811 4417 1 13 . 1 1 19 19 THR CB C 19 68.674 68.674 70.439 -1.764 19811 4418 1 13 . 1 1 19 19 THR H H 19 6.219 6.219 7.590 -1.371 19811 4419 1 13 . 1 1 20 20 PRO HA H 20 4.382 4.382 4.299 0.083 19811 4420 1 13 . 1 1 20 20 PRO CA C 20 65.110 65.110 64.844 0.266 19811 4421 1 13 . 1 1 20 20 PRO CB C 20 31.996 31.996 32.220 -0.224 19811 4422 1 13 . 1 1 21 21 GLU N N 21 113.087 113.087 116.256 -3.169 19811 4423 1 13 . 1 1 21 21 GLU HA H 21 4.350 4.350 4.300 0.050 19811 4424 1 13 . 1 1 21 21 GLU CA C 21 56.513 56.513 55.953 0.560 19811 4425 1 13 . 1 1 21 21 GLU CB C 21 29.153 29.153 29.701 -0.548 19811 4426 1 13 . 1 1 21 21 GLU H H 21 7.960 7.960 8.317 -0.357 19811 4427 1 13 . 1 1 22 22 PHE N N 22 123.828 123.828 120.141 3.687 19811 4428 1 13 . 1 1 22 22 PHE HA H 22 4.518 4.518 4.595 -0.077 19811 4429 1 13 . 1 1 22 22 PHE CA C 22 58.778 58.778 58.392 0.386 19811 4430 1 13 . 1 1 22 22 PHE CB C 22 40.224 40.224 40.287 -0.063 19811 4431 1 13 . 1 1 22 22 PHE H H 22 7.724 7.724 7.879 -0.155 19811 4432 1 13 . 1 1 23 23 THR N N 23 114.031 114.031 113.501 0.530 19811 4433 1 13 . 1 1 23 23 THR HA H 23 4.791 4.791 4.424 0.367 19811 4434 1 13 . 1 1 23 23 THR CA C 23 60.340 60.340 60.752 -0.412 19811 4435 1 13 . 1 1 23 23 THR CB C 23 71.791 71.791 70.845 0.946 19811 4436 1 13 . 1 1 23 23 THR H H 23 8.504 8.504 7.938 0.566 19811 4437 1 13 . 1 1 24 24 VAL N N 24 122.541 122.541 120.942 1.599 19811 4438 1 13 . 1 1 24 24 VAL HA H 24 3.427 3.427 3.773 -0.346 19811 4439 1 13 . 1 1 24 24 VAL CA C 24 66.745 66.745 66.964 -0.219 19811 4440 1 13 . 1 1 24 24 VAL CB C 24 30.735 30.735 31.266 -0.531 19811 4441 1 13 . 1 1 24 24 VAL H H 24 8.918 8.918 8.302 0.616 19811 4442 1 13 . 1 1 25 25 LYS N N 25 121.079 121.079 118.952 2.127 19811 4443 1 13 . 1 1 25 25 LYS HA H 25 3.912 3.912 3.983 -0.071 19811 4444 1 13 . 1 1 25 25 LYS CA C 25 59.950 59.950 59.686 0.264 19811 4445 1 13 . 1 1 25 25 LYS CB C 25 32.824 32.824 32.245 0.580 19811 4446 1 13 . 1 1 25 25 LYS H H 25 8.622 8.622 8.276 0.346 19811 4447 1 13 . 1 1 26 26 GLU N N 26 118.646 118.646 120.822 -2.176 19811 4448 1 13 . 1 1 26 26 GLU HA H 26 3.859 3.859 4.409 -0.550 19811 4449 1 13 . 1 1 26 26 GLU CA C 26 59.012 59.012 59.079 -0.067 19811 4450 1 13 . 1 1 26 26 GLU CB C 26 29.344 29.344 29.609 -0.265 19811 4451 1 13 . 1 1 26 26 GLU H H 26 7.734 7.734 7.497 0.237 19811 4452 1 13 . 1 1 27 27 LEU N N 27 122.155 122.155 120.688 1.467 19811 4453 1 13 . 1 1 27 27 LEU HA H 27 4.136 4.136 4.298 -0.162 19811 4454 1 13 . 1 1 27 27 LEU CA C 27 58.226 58.226 57.802 0.424 19811 4455 1 13 . 1 1 27 27 LEU CB C 27 41.986 41.986 42.256 -0.270 19811 4456 1 13 . 1 1 27 27 LEU H H 27 8.000 8.000 8.386 -0.386 19811 4457 1 13 . 1 1 28 28 ALA N N 28 121.362 121.362 120.270 1.092 19811 4458 1 13 . 1 1 28 28 ALA HA H 28 3.837 3.837 4.080 -0.243 19811 4459 1 13 . 1 1 28 28 ALA CA C 28 55.872 55.872 55.049 0.823 19811 4460 1 13 . 1 1 28 28 ALA CB C 28 17.902 17.902 18.256 -0.354 19811 4461 1 13 . 1 1 28 28 ALA H H 28 8.899 8.899 7.831 1.068 19811 4462 1 13 . 1 1 29 29 GLU N N 29 116.582 116.582 118.086 -1.504 19811 4463 1 13 . 1 1 29 29 GLU HA H 29 3.814 3.814 4.051 -0.237 19811 4464 1 13 . 1 1 29 29 GLU CA C 29 59.849 59.849 58.850 0.999 19811 4465 1 13 . 1 1 29 29 GLU CB C 29 29.185 29.185 29.157 0.028 19811 4466 1 13 . 1 1 29 29 GLU H H 29 8.437 8.437 7.929 0.508 19811 4467 1 13 . 1 1 30 30 GLU N N 30 121.430 121.430 120.356 1.074 19811 4468 1 13 . 1 1 30 30 GLU HA H 30 4.293 4.293 4.170 0.123 19811 4469 1 13 . 1 1 30 30 GLU CA C 30 58.829 58.829 59.012 -0.183 19811 4470 1 13 . 1 1 30 30 GLU CB C 30 28.720 28.720 29.945 -1.225 19811 4471 1 13 . 1 1 30 30 GLU H H 30 7.877 7.877 7.719 0.158 19811 4472 1 13 . 1 1 31 31 ILE N N 31 119.644 119.644 120.160 -0.516 19811 4473 1 13 . 1 1 31 31 ILE HA H 31 3.289 3.289 3.874 -0.585 19811 4474 1 13 . 1 1 31 31 ILE CA C 31 65.937 65.937 63.243 2.694 19811 4475 1 13 . 1 1 31 31 ILE CB C 31 38.338 38.338 38.145 0.193 19811 4476 1 13 . 1 1 31 31 ILE H H 31 8.438 8.438 7.502 0.936 19811 4477 1 13 . 1 1 32 32 ALA N N 32 120.190 120.190 121.781 -1.591 19811 4478 1 13 . 1 1 32 32 ALA HA H 32 3.637 3.637 4.118 -0.481 19811 4479 1 13 . 1 1 32 32 ALA CA C 32 56.071 56.071 54.842 1.229 19811 4480 1 13 . 1 1 32 32 ALA CB C 32 17.287 17.287 18.168 -0.881 19811 4481 1 13 . 1 1 32 32 ALA H H 32 8.609 8.609 7.901 0.708 19811 4482 1 13 . 1 1 33 33 ARG N N 33 116.846 116.846 117.848 -1.002 19811 4483 1 13 . 1 1 33 33 ARG HA H 33 4.085 4.085 4.076 0.009 19811 4484 1 13 . 1 1 33 33 ARG CA C 33 59.367 59.367 59.042 0.325 19811 4485 1 13 . 1 1 33 33 ARG CB C 33 30.575 30.575 30.440 0.135 19811 4486 1 13 . 1 1 33 33 ARG H H 33 7.817 7.817 7.651 0.166 19811 4487 1 13 . 1 1 34 34 ARG N N 34 118.212 118.212 117.926 0.286 19811 4488 1 13 . 1 1 34 34 ARG HA H 34 4.078 4.078 4.166 -0.088 19811 4489 1 13 . 1 1 34 34 ARG CA C 34 58.321 58.321 58.300 0.021 19811 4490 1 13 . 1 1 34 34 ARG CB C 34 29.771 29.771 29.847 -0.076 19811 4491 1 13 . 1 1 34 34 ARG H H 34 7.922 7.922 7.901 0.021 19811 4492 1 13 . 1 1 35 35 LEU N N 35 115.523 115.523 118.070 -2.547 19811 4493 1 13 . 1 1 35 35 LEU HA H 35 4.426 4.426 4.471 -0.045 19811 4494 1 13 . 1 1 35 35 LEU CA C 35 54.601 54.601 55.333 -0.732 19811 4495 1 13 . 1 1 35 35 LEU CB C 35 42.895 42.895 42.827 0.068 19811 4496 1 13 . 1 1 35 35 LEU H H 35 7.999 7.999 7.571 0.428 19811 4497 1 13 . 1 1 36 36 GLY N N 36 110.277 110.277 107.587 2.690 19811 4498 1 13 . 1 1 36 36 GLY CA C 36 46.906 46.906 45.350 1.556 19811 4499 1 13 . 1 1 36 36 GLY H H 36 7.864 7.864 7.917 -0.053 19811 4500 1 13 . 1 1 37 37 LEU N N 37 119.310 119.310 119.303 0.007 19811 4501 1 13 . 1 1 37 37 LEU HA H 37 4.691 4.691 4.763 -0.072 19811 4502 1 13 . 1 1 37 37 LEU CA C 37 52.642 52.642 53.211 -0.569 19811 4503 1 13 . 1 1 37 37 LEU CB C 37 45.355 45.355 45.032 0.323 19811 4504 1 13 . 1 1 37 37 LEU H H 37 8.025 8.025 8.124 -0.099 19811 4505 1 13 . 1 1 38 38 SER N N 38 115.906 115.906 113.684 2.222 19811 4506 1 13 . 1 1 38 38 SER HA H 38 4.955 4.955 4.962 -0.007 19811 4507 1 13 . 1 1 38 38 SER CA C 38 55.376 55.376 55.527 -0.151 19811 4508 1 13 . 1 1 38 38 SER CB C 38 63.732 63.732 64.103 -0.371 19811 4509 1 13 . 1 1 38 38 SER H H 38 8.662 8.662 8.202 0.460 19811 4510 1 13 . 1 1 39 39 PRO HA H 39 3.976 3.976 4.443 -0.467 19811 4511 1 13 . 1 1 39 39 PRO CA C 39 65.434 65.434 64.416 1.018 19811 4512 1 13 . 1 1 39 39 PRO CB C 39 31.527 31.527 32.004 -0.477 19811 4513 1 13 . 1 1 40 40 GLU N N 40 115.609 115.609 116.026 -0.417 19811 4514 1 13 . 1 1 40 40 GLU HA H 40 4.115 4.115 4.186 -0.071 19811 4515 1 13 . 1 1 40 40 GLU CA C 40 57.861 57.861 57.592 0.269 19811 4516 1 13 . 1 1 40 40 GLU CB C 40 28.842 28.842 29.331 -0.489 19811 4517 1 13 . 1 1 40 40 GLU H H 40 8.455 8.455 8.584 -0.129 19811 4518 1 13 . 1 1 41 41 ASP N N 41 118.239 118.239 119.073 -0.834 19811 4519 1 13 . 1 1 41 41 ASP HA H 41 4.711 4.711 4.681 0.030 19811 4520 1 13 . 1 1 41 41 ASP CA C 41 54.862 54.862 56.110 -1.248 19811 4521 1 13 . 1 1 41 41 ASP CB C 41 41.920 41.920 42.391 -0.471 19811 4522 1 13 . 1 1 41 41 ASP H H 41 7.814 7.814 7.615 0.199 19811 4523 1 13 . 1 1 42 42 ILE N N 42 116.579 116.579 119.492 -2.913 19811 4524 1 13 . 1 1 42 42 ILE HA H 42 4.305 4.305 4.662 -0.357 19811 4525 1 13 . 1 1 42 42 ILE CA C 42 60.232 60.232 60.970 -0.738 19811 4526 1 13 . 1 1 42 42 ILE CB C 42 39.070 39.070 38.107 0.963 19811 4527 1 13 . 1 1 42 42 ILE H H 42 7.069 7.069 7.251 -0.182 19811 4528 1 13 . 1 1 43 43 LYS N N 43 128.374 128.374 128.251 0.123 19811 4529 1 13 . 1 1 43 43 LYS HA H 43 4.489 4.489 4.661 -0.172 19811 4530 1 13 . 1 1 43 43 LYS CA C 43 54.924 54.924 54.630 0.294 19811 4531 1 13 . 1 1 43 43 LYS CB C 43 35.322 35.322 35.640 -0.318 19811 4532 1 13 . 1 1 43 43 LYS H H 43 8.709 8.709 8.728 -0.019 19811 4533 1 13 . 1 1 44 44 LEU N N 44 126.700 126.700 127.050 -0.350 19811 4534 1 13 . 1 1 44 44 LEU HA H 44 5.368 5.368 4.549 0.819 19811 4535 1 13 . 1 1 44 44 LEU CA C 44 52.839 52.839 54.727 -1.887 19811 4536 1 13 . 1 1 44 44 LEU CB C 44 44.529 44.529 43.192 1.337 19811 4537 1 13 . 1 1 44 44 LEU H H 44 8.929 8.929 8.738 0.191 19811 4538 1 13 . 1 1 45 45 THR N N 45 112.945 112.945 119.102 -6.157 19811 4539 1 13 . 1 1 45 45 THR HA H 45 5.282 5.282 5.173 0.109 19811 4540 1 13 . 1 1 45 45 THR CA C 45 59.240 59.240 60.992 -1.752 19811 4541 1 13 . 1 1 45 45 THR CB C 45 72.146 72.146 70.472 1.674 19811 4542 1 13 . 1 1 45 45 THR H H 45 8.846 8.846 8.210 0.636 19811 4543 1 13 . 1 1 46 46 HIS N N 46 120.347 120.347 124.324 -3.977 19811 4544 1 13 . 1 1 46 46 HIS HA H 46 4.956 4.956 4.909 0.047 19811 4545 1 13 . 1 1 46 46 HIS CA C 46 55.757 55.757 55.910 -0.153 19811 4546 1 13 . 1 1 46 46 HIS CB C 46 34.673 34.673 33.310 1.363 19811 4547 1 13 . 1 1 46 46 HIS H H 46 8.620 8.620 8.925 -0.305 19811 4548 1 13 . 1 1 47 47 ASN N N 47 128.187 128.187 125.411 2.776 19811 4549 1 13 . 1 1 47 47 ASN HA H 47 4.178 4.178 4.335 -0.157 19811 4550 1 13 . 1 1 47 47 ASN CA C 47 53.481 53.481 53.373 0.108 19811 4551 1 13 . 1 1 47 47 ASN CB C 47 36.888 36.888 36.700 0.188 19811 4552 1 13 . 1 1 47 47 ASN H H 47 9.136 9.136 9.029 0.107 19811 4553 1 13 . 1 1 48 48 GLY N N 48 103.028 103.028 104.106 -1.078 19811 4554 1 13 . 1 1 48 48 GLY CA C 48 45.279 45.279 44.952 0.327 19811 4555 1 13 . 1 1 48 48 GLY H H 48 8.633 8.633 8.588 0.045 19811 4556 1 13 . 1 1 49 49 LYS N N 49 121.730 121.730 120.662 1.068 19811 4557 1 13 . 1 1 49 49 LYS HA H 49 4.572 4.572 4.694 -0.122 19811 4558 1 13 . 1 1 49 49 LYS CA C 49 54.677 54.677 54.765 -0.088 19811 4559 1 13 . 1 1 49 49 LYS CB C 49 33.823 33.823 35.682 -1.859 19811 4560 1 13 . 1 1 49 49 LYS H H 49 7.790 7.790 7.819 -0.029 19811 4561 1 13 . 1 1 50 50 THR N N 50 121.190 121.190 115.019 6.171 19811 4562 1 13 . 1 1 50 50 THR HA H 50 4.254 4.254 5.066 -0.812 19811 4563 1 13 . 1 1 50 50 THR CA C 50 63.304 63.304 60.897 2.407 19811 4564 1 13 . 1 1 50 50 THR CB C 50 68.732 68.732 69.808 -1.076 19811 4565 1 13 . 1 1 50 50 THR H H 50 8.735 8.735 8.398 0.337 19811 4566 1 13 . 1 1 51 51 LEU N N 51 127.406 127.406 123.832 3.574 19811 4567 1 13 . 1 1 51 51 LEU HA H 51 3.973 3.973 4.147 -0.174 19811 4568 1 13 . 1 1 51 51 LEU CA C 51 54.125 54.125 54.271 -0.146 19811 4569 1 13 . 1 1 51 51 LEU CB C 51 41.715 41.715 43.234 -1.519 19811 4570 1 13 . 1 1 51 51 LEU H H 51 8.586 8.586 8.076 0.510 19811 4571 1 13 . 1 1 52 52 ASP N N 52 126.711 126.711 125.046 1.665 19811 4572 1 13 . 1 1 52 52 ASP HA H 52 4.840 4.840 4.883 -0.043 19811 4573 1 13 . 1 1 52 52 ASP CA C 52 51.377 51.377 51.817 -0.440 19811 4574 1 13 . 1 1 52 52 ASP CB C 52 43.019 43.019 42.782 0.237 19811 4575 1 13 . 1 1 52 52 ASP H H 52 8.974 8.974 8.135 0.839 19811 4576 1 13 . 1 1 53 53 PRO HA H 53 4.095 4.095 4.411 -0.316 19811 4577 1 13 . 1 1 53 53 PRO CA C 53 64.240 64.240 64.332 -0.092 19811 4578 1 13 . 1 1 53 53 PRO CB C 53 33.077 33.077 32.178 0.899 19811 4579 1 13 . 1 1 54 54 SER N N 54 110.024 110.024 113.949 -3.925 19811 4580 1 13 . 1 1 54 54 SER HA H 54 4.330 4.330 4.349 -0.019 19811 4581 1 13 . 1 1 54 54 SER CA C 54 59.971 59.971 59.983 -0.012 19811 4582 1 13 . 1 1 54 54 SER CB C 54 63.881 63.881 63.340 0.541 19811 4583 1 13 . 1 1 54 54 SER H H 54 8.643 8.643 7.958 0.685 19811 4584 1 13 . 1 1 55 55 LEU N N 55 123.514 123.514 120.565 2.949 19811 4585 1 13 . 1 1 55 55 LEU HA H 55 4.645 4.645 4.529 0.116 19811 4586 1 13 . 1 1 55 55 LEU CA C 55 50.579 50.579 54.434 -3.855 19811 4587 1 13 . 1 1 55 55 LEU CB C 55 43.928 43.928 42.904 1.024 19811 4588 1 13 . 1 1 55 55 LEU H H 55 7.722 7.722 7.368 0.354 19811 4589 1 13 . 1 1 56 56 THR N N 56 107.845 107.845 109.066 -1.221 19811 4590 1 13 . 1 1 56 56 THR HA H 56 4.921 4.921 4.579 0.342 19811 4591 1 13 . 1 1 56 56 THR CA C 56 60.266 60.266 60.791 -0.525 19811 4592 1 13 . 1 1 56 56 THR CB C 56 71.553 71.553 70.137 1.416 19811 4593 1 13 . 1 1 56 56 THR H H 56 8.335 8.335 8.037 0.298 19811 4594 1 13 . 1 1 57 57 LEU N N 57 118.354 118.354 120.258 -1.904 19811 4595 1 13 . 1 1 57 57 LEU HA H 57 3.992 3.992 4.620 -0.628 19811 4596 1 13 . 1 1 57 57 LEU CA C 57 58.658 58.658 56.935 1.723 19811 4597 1 13 . 1 1 57 57 LEU CB C 57 39.774 39.774 42.401 -2.627 19811 4598 1 13 . 1 1 57 57 LEU H H 57 8.117 8.117 8.765 -0.648 19811 4599 1 13 . 1 1 58 58 ALA N N 58 120.467 120.467 119.850 0.617 19811 4600 1 13 . 1 1 58 58 ALA HA H 58 4.075 4.075 4.226 -0.151 19811 4601 1 13 . 1 1 58 58 ALA CA C 58 55.047 55.047 53.631 1.416 19811 4602 1 13 . 1 1 58 58 ALA CB C 58 18.267 18.267 18.563 -0.296 19811 4603 1 13 . 1 1 58 58 ALA H H 58 8.730 8.730 8.371 0.359 19811 4604 1 13 . 1 1 59 59 GLU N N 59 119.907 119.907 117.574 2.333 19811 4605 1 13 . 1 1 59 59 GLU HA H 59 3.935 3.935 4.168 -0.233 19811 4606 1 13 . 1 1 59 59 GLU CA C 59 58.914 58.914 57.540 1.374 19811 4607 1 13 . 1 1 59 59 GLU CB C 59 29.623 29.623 29.780 -0.157 19811 4608 1 13 . 1 1 59 59 GLU H H 59 7.890 7.890 8.403 -0.513 19811 4609 1 13 . 1 1 60 60 TYR N N 60 116.582 116.582 118.456 -1.874 19811 4610 1 13 . 1 1 60 60 TYR HA H 60 4.554 4.554 4.477 0.077 19811 4611 1 13 . 1 1 60 60 TYR CA C 60 59.463 59.463 58.802 0.661 19811 4612 1 13 . 1 1 60 60 TYR CB C 60 40.288 40.288 39.391 0.897 19811 4613 1 13 . 1 1 60 60 TYR H H 60 7.448 7.448 7.596 -0.148 19811 4614 1 13 . 1 1 61 61 GLY N N 61 109.141 109.141 108.104 1.037 19811 4615 1 13 . 1 1 61 61 GLY CA C 61 46.380 46.380 44.948 1.432 19811 4616 1 13 . 1 1 61 61 GLY H H 61 8.067 8.067 7.926 0.141 19811 4617 1 13 . 1 1 62 62 ILE N N 62 120.506 120.506 121.476 -0.970 19811 4618 1 13 . 1 1 62 62 ILE HA H 62 3.614 3.614 4.353 -0.739 19811 4619 1 13 . 1 1 62 62 ILE CA C 62 61.392 61.392 60.515 0.877 19811 4620 1 13 . 1 1 62 62 ILE CB C 62 36.445 36.445 38.805 -2.360 19811 4621 1 13 . 1 1 62 62 ILE H H 62 7.416 7.416 7.574 -0.158 19811 4622 1 13 . 1 1 63 63 THR N N 63 117.984 117.984 117.853 0.131 19811 4623 1 13 . 1 1 63 63 THR HA H 63 4.528 4.528 4.951 -0.423 19811 4624 1 13 . 1 1 63 63 THR CA C 63 58.942 58.942 58.163 0.779 19811 4625 1 13 . 1 1 63 63 THR CB C 63 68.304 68.304 69.507 -1.203 19811 4626 1 13 . 1 1 63 63 THR H H 63 7.408 7.408 8.243 -0.835 19811 4627 1 13 . 1 1 64 64 PRO HA H 64 4.237 4.237 4.273 -0.036 19811 4628 1 13 . 1 1 64 64 PRO CA C 64 64.568 64.568 63.489 1.079 19811 4629 1 13 . 1 1 64 64 PRO CB C 64 31.861 31.861 31.580 0.281 19811 4630 1 13 . 1 1 65 65 GLY N N 65 112.539 112.539 111.600 0.939 19811 4631 1 13 . 1 1 65 65 GLY CA C 65 44.719 44.719 44.963 -0.244 19811 4632 1 13 . 1 1 65 65 GLY H H 65 9.286 9.286 8.462 0.824 19811 4633 1 13 . 1 1 66 66 SER N N 66 116.523 116.523 116.007 0.516 19811 4634 1 13 . 1 1 66 66 SER HA H 66 4.535 4.535 4.888 -0.353 19811 4635 1 13 . 1 1 66 66 SER CA C 66 60.415 60.415 57.246 3.169 19811 4636 1 13 . 1 1 66 66 SER CB C 66 64.604 64.604 64.914 -0.310 19811 4637 1 13 . 1 1 66 66 SER H H 66 7.822 7.822 7.885 -0.063 19811 4638 1 13 . 1 1 67 67 THR N N 67 118.238 118.238 114.864 3.374 19811 4639 1 13 . 1 1 67 67 THR HA H 67 5.342 5.342 4.437 0.905 19811 4640 1 13 . 1 1 67 67 THR CA C 67 62.059 62.059 61.711 0.348 19811 4641 1 13 . 1 1 67 67 THR CB C 67 70.858 70.858 69.177 1.681 19811 4642 1 13 . 1 1 67 67 THR H H 67 8.715 8.715 8.275 0.440 19811 4643 1 13 . 1 1 68 68 ILE N N 68 126.891 126.891 127.134 -0.243 19811 4644 1 13 . 1 1 68 68 ILE HA H 68 4.761 4.761 4.373 0.388 19811 4645 1 13 . 1 1 68 68 ILE CA C 68 59.434 59.434 59.378 0.056 19811 4646 1 13 . 1 1 68 68 ILE CB C 68 40.783 40.783 38.102 2.681 19811 4647 1 13 . 1 1 68 68 ILE H H 68 9.097 9.097 8.099 0.998 19811 4648 1 13 . 1 1 69 69 THR N N 69 120.333 120.333 119.662 0.671 19811 4649 1 13 . 1 1 69 69 THR HA H 69 4.566 4.566 4.793 -0.227 19811 4650 1 13 . 1 1 69 69 THR CA C 69 63.014 63.014 60.735 2.279 19811 4651 1 13 . 1 1 69 69 THR CB C 69 70.043 70.043 69.885 0.158 19811 4652 1 13 . 1 1 69 69 THR H H 69 8.903 8.903 8.280 0.623 19811 4653 1 13 . 1 1 70 70 LEU N N 70 126.490 126.490 122.672 3.818 19811 4654 1 13 . 1 1 70 70 LEU HA H 70 4.984 4.984 5.259 -0.275 19811 4655 1 13 . 1 1 70 70 LEU CA C 70 54.088 54.088 53.208 0.881 19811 4656 1 13 . 1 1 70 70 LEU CB C 70 44.772 44.772 44.258 0.514 19811 4657 1 13 . 1 1 70 70 LEU H H 70 8.191 8.191 7.793 0.398 19811 4658 1 13 . 1 1 71 71 GLU N N 71 125.912 125.912 119.665 6.247 19811 4659 1 13 . 1 1 71 71 GLU HA H 71 4.505 4.505 4.716 -0.211 19811 4660 1 13 . 1 1 71 71 GLU CA C 71 54.828 54.828 55.289 -0.462 19811 4661 1 13 . 1 1 71 71 GLU CB C 71 33.391 33.391 33.703 -0.312 19811 4662 1 13 . 1 1 71 71 GLU H H 71 9.089 9.089 8.306 0.783 19811 4663 1 13 . 1 1 72 72 ILE N N 72 123.229 123.229 122.046 1.183 19811 4664 1 13 . 1 1 72 72 ILE HA H 72 4.570 4.570 4.900 -0.330 19811 4665 1 13 . 1 1 72 72 ILE CA C 72 59.629 59.629 59.961 -0.332 19811 4666 1 13 . 1 1 72 72 ILE CB C 72 38.376 38.376 40.779 -2.403 19811 4667 1 13 . 1 1 72 72 ILE H H 72 8.526 8.526 8.478 0.048 19811 4668 1 13 . 1 1 73 73 LYS N N 73 129.392 129.392 125.871 3.521 19811 4669 1 13 . 1 1 73 73 LYS HA H 73 4.178 4.178 4.611 -0.433 19811 4670 1 13 . 1 1 73 73 LYS CA C 73 56.564 56.564 55.670 0.894 19811 4671 1 13 . 1 1 73 73 LYS CB C 73 33.320 33.320 34.035 -0.715 19811 4672 1 13 . 1 1 73 73 LYS H H 73 8.837 8.837 8.501 0.336 19811 4673 1 13 . 1 1 74 74 LYS N N 74 123.476 123.476 122.872 0.604 19811 4674 1 13 . 1 1 74 74 LYS HA H 74 4.255 4.255 4.534 -0.279 19811 4675 1 13 . 1 1 74 74 LYS CA C 74 56.000 56.000 55.632 0.368 19811 4676 1 13 . 1 1 74 74 LYS CB C 74 33.223 33.223 34.373 -1.150 19811 4677 1 13 . 1 1 74 74 LYS H H 74 8.266 8.266 8.386 -0.120 19811 4678 1 13 . 1 1 75 75 LYS N N 75 124.450 124.450 122.047 2.403 19811 4679 1 13 . 1 1 75 75 LYS HA H 75 4.245 4.245 4.562 -0.317 19811 4680 1 13 . 1 1 75 75 LYS CA C 75 56.677 56.677 55.965 0.712 19811 4681 1 13 . 1 1 75 75 LYS CB C 75 32.876 32.876 33.758 -0.882 19811 4682 1 13 . 1 1 75 75 LYS H H 75 8.572 8.572 8.512 0.060 19811 4683 1 13 . 1 1 76 76 GLY N N 76 110.666 110.666 111.326 -0.660 19811 4684 1 13 . 1 1 76 76 GLY CA C 76 45.330 45.330 44.536 0.794 19811 4685 1 13 . 1 1 76 76 GLY H H 76 8.549 8.549 8.562 -0.013 19811 4686 1 13 . 1 1 77 77 GLY N N 77 108.740 108.740 108.538 0.202 19811 4687 1 13 . 1 1 77 77 GLY CA C 77 45.300 45.300 45.291 0.009 19811 4688 1 13 . 1 1 77 77 GLY H H 77 8.332 8.332 8.216 0.116 19811 4689 1 13 . 1 1 78 78 LEU N N 78 121.371 121.371 122.030 -0.659 19811 4690 1 13 . 1 1 78 78 LEU HA H 78 4.263 4.263 4.637 -0.374 19811 4691 1 13 . 1 1 78 78 LEU CA C 78 55.127 55.127 55.422 -0.295 19811 4692 1 13 . 1 1 78 78 LEU CB C 78 42.290 42.290 42.784 -0.494 19811 4693 1 13 . 1 1 78 78 LEU H H 78 8.165 8.165 8.384 -0.219 19811 4694 1 14 . 1 1 2 2 ASP N N 2 121.707 121.707 117.166 4.541 19811 4695 1 14 . 1 1 2 2 ASP HA H 2 4.798 4.798 4.936 -0.138 19811 4696 1 14 . 1 1 2 2 ASP CA C 2 54.249 54.249 54.309 -0.060 19811 4697 1 14 . 1 1 2 2 ASP CB C 2 42.163 42.163 43.162 -0.999 19811 4698 1 14 . 1 1 2 2 ASP H H 2 8.479 8.479 8.363 0.116 19811 4699 1 14 . 1 1 3 3 THR N N 3 109.876 109.876 111.854 -1.978 19811 4700 1 14 . 1 1 3 3 THR HA H 3 5.324 5.324 5.354 -0.030 19811 4701 1 14 . 1 1 3 3 THR CA C 3 59.553 59.553 60.348 -0.795 19811 4702 1 14 . 1 1 3 3 THR CB C 3 72.235 72.235 70.863 1.372 19811 4703 1 14 . 1 1 3 3 THR H H 3 7.857 7.857 7.535 0.322 19811 4704 1 14 . 1 1 4 4 ILE N N 4 115.792 115.792 116.321 -0.529 19811 4705 1 14 . 1 1 4 4 ILE HA H 4 4.464 4.464 4.561 -0.097 19811 4706 1 14 . 1 1 4 4 ILE CA C 4 59.314 59.314 59.392 -0.077 19811 4707 1 14 . 1 1 4 4 ILE CB C 4 41.940 41.940 41.218 0.722 19811 4708 1 14 . 1 1 4 4 ILE H H 4 8.665 8.665 8.714 -0.049 19811 4709 1 14 . 1 1 5 5 ASN N N 5 119.913 119.913 119.294 0.619 19811 4710 1 14 . 1 1 5 5 ASN HA H 5 5.438 5.438 5.797 -0.359 19811 4711 1 14 . 1 1 5 5 ASN CA C 5 51.594 51.594 51.630 -0.036 19811 4712 1 14 . 1 1 5 5 ASN CB C 5 41.031 41.031 41.369 -0.338 19811 4713 1 14 . 1 1 5 5 ASN H H 5 8.457 8.457 8.064 0.393 19811 4714 1 14 . 1 1 6 6 ILE N N 6 122.674 122.674 122.312 0.362 19811 4715 1 14 . 1 1 6 6 ILE HA H 6 5.035 5.035 4.573 0.462 19811 4716 1 14 . 1 1 6 6 ILE CA C 6 57.857 57.857 60.803 -2.946 19811 4717 1 14 . 1 1 6 6 ILE CB C 6 38.947 38.947 40.928 -1.981 19811 4718 1 14 . 1 1 6 6 ILE H H 6 9.426 9.426 8.541 0.885 19811 4719 1 14 . 1 1 7 7 THR N N 7 124.398 124.398 123.279 1.119 19811 4720 1 14 . 1 1 7 7 THR HA H 7 4.512 4.512 4.857 -0.345 19811 4721 1 14 . 1 1 7 7 THR CA C 7 62.639 62.639 61.833 0.806 19811 4722 1 14 . 1 1 7 7 THR CB C 7 69.074 69.074 69.654 -0.580 19811 4723 1 14 . 1 1 7 7 THR H H 7 9.152 9.152 9.129 0.023 19811 4724 1 14 . 1 1 8 8 LEU N N 8 127.909 127.909 125.654 2.255 19811 4725 1 14 . 1 1 8 8 LEU HA H 8 4.601 4.601 4.831 -0.230 19811 4726 1 14 . 1 1 8 8 LEU CA C 8 53.537 53.537 51.864 1.673 19811 4727 1 14 . 1 1 8 8 LEU CB C 8 39.928 39.928 43.326 -3.398 19811 4728 1 14 . 1 1 8 8 LEU H H 8 8.992 8.992 7.991 1.001 19811 4729 1 14 . 1 1 9 9 PRO HA H 9 4.419 4.419 4.395 0.024 19811 4730 1 14 . 1 1 9 9 PRO CA C 9 65.184 65.184 64.758 0.426 19811 4731 1 14 . 1 1 9 9 PRO CB C 9 31.999 31.999 31.755 0.244 19811 4732 1 14 . 1 1 10 10 ASP N N 10 113.521 113.521 117.230 -3.709 19811 4733 1 14 . 1 1 10 10 ASP HA H 10 4.490 4.490 4.649 -0.159 19811 4734 1 14 . 1 1 10 10 ASP CA C 10 53.129 53.129 54.476 -1.347 19811 4735 1 14 . 1 1 10 10 ASP CB C 10 39.986 39.986 41.052 -1.066 19811 4736 1 14 . 1 1 10 10 ASP H H 10 7.678 7.678 8.157 -0.479 19811 4737 1 14 . 1 1 11 11 GLY N N 11 108.658 108.658 106.907 1.751 19811 4738 1 14 . 1 1 11 11 GLY CA C 11 45.218 45.218 44.911 0.306 19811 4739 1 14 . 1 1 11 11 GLY H H 11 8.376 8.376 7.683 0.693 19811 4740 1 14 . 1 1 12 12 LYS N N 12 121.449 121.449 119.765 1.684 19811 4741 1 14 . 1 1 12 12 LYS HA H 12 4.331 4.331 4.671 -0.340 19811 4742 1 14 . 1 1 12 12 LYS CA C 12 56.660 56.660 55.246 1.414 19811 4743 1 14 . 1 1 12 12 LYS CB C 12 33.199 33.199 33.556 -0.357 19811 4744 1 14 . 1 1 12 12 LYS H H 12 7.766 7.766 7.753 0.013 19811 4745 1 14 . 1 1 13 13 THR N N 13 113.928 113.928 113.863 0.065 19811 4746 1 14 . 1 1 13 13 THR HA H 13 5.193 5.193 5.431 -0.238 19811 4747 1 14 . 1 1 13 13 THR CA C 13 61.734 61.734 60.359 1.375 19811 4748 1 14 . 1 1 13 13 THR CB C 13 71.481 71.481 70.541 0.940 19811 4749 1 14 . 1 1 13 13 THR H H 13 8.248 8.248 8.324 -0.076 19811 4750 1 14 . 1 1 14 14 LEU N N 14 128.446 128.446 122.298 6.148 19811 4751 1 14 . 1 1 14 14 LEU HA H 14 4.739 4.739 4.715 0.024 19811 4752 1 14 . 1 1 14 14 LEU CA C 14 53.403 53.403 54.187 -0.784 19811 4753 1 14 . 1 1 14 14 LEU CB C 14 45.480 45.480 45.887 -0.407 19811 4754 1 14 . 1 1 14 14 LEU H H 14 9.270 9.270 8.395 0.875 19811 4755 1 14 . 1 1 15 15 THR N N 15 123.048 123.048 118.583 4.465 19811 4756 1 14 . 1 1 15 15 THR HA H 15 5.191 5.191 5.181 0.010 19811 4757 1 14 . 1 1 15 15 THR CA C 15 61.986 61.986 61.559 0.427 19811 4758 1 14 . 1 1 15 15 THR CB C 15 70.339 70.339 69.682 0.657 19811 4759 1 14 . 1 1 15 15 THR H H 15 8.759 8.759 8.230 0.529 19811 4760 1 14 . 1 1 16 16 LEU N N 16 125.874 125.874 127.291 -1.417 19811 4761 1 14 . 1 1 16 16 LEU HA H 16 4.770 4.770 4.764 0.006 19811 4762 1 14 . 1 1 16 16 LEU CA C 16 53.222 53.222 53.544 -0.322 19811 4763 1 14 . 1 1 16 16 LEU CB C 16 45.322 45.322 46.480 -1.158 19811 4764 1 14 . 1 1 16 16 LEU H H 16 8.551 8.551 8.819 -0.268 19811 4765 1 14 . 1 1 17 17 THR N N 17 117.080 117.080 118.777 -1.697 19811 4766 1 14 . 1 1 17 17 THR HA H 17 4.629 4.629 5.018 -0.389 19811 4767 1 14 . 1 1 17 17 THR CA C 17 61.950 61.950 61.183 0.767 19811 4768 1 14 . 1 1 17 17 THR CB C 17 69.202 69.202 69.646 -0.444 19811 4769 1 14 . 1 1 17 17 THR H H 17 8.342 8.342 8.204 0.138 19811 4770 1 14 . 1 1 18 18 VAL N N 18 116.699 116.699 123.290 -6.591 19811 4771 1 14 . 1 1 18 18 VAL HA H 18 3.910 3.910 4.137 -0.227 19811 4772 1 14 . 1 1 18 18 VAL CA C 18 58.565 58.565 58.953 -0.388 19811 4773 1 14 . 1 1 18 18 VAL CB C 18 35.910 35.910 34.636 1.274 19811 4774 1 14 . 1 1 18 18 VAL H H 18 8.131 8.131 7.829 0.302 19811 4775 1 14 . 1 1 19 19 THR N N 19 110.389 110.389 107.788 2.601 19811 4776 1 14 . 1 1 19 19 THR HA H 19 4.807 4.807 4.817 -0.010 19811 4777 1 14 . 1 1 19 19 THR CA C 19 58.916 58.916 58.523 0.393 19811 4778 1 14 . 1 1 19 19 THR CB C 19 68.674 68.674 70.075 -1.401 19811 4779 1 14 . 1 1 19 19 THR H H 19 6.219 6.219 7.588 -1.369 19811 4780 1 14 . 1 1 20 20 PRO HA H 20 4.382 4.382 4.304 0.078 19811 4781 1 14 . 1 1 20 20 PRO CA C 20 65.110 65.110 64.811 0.299 19811 4782 1 14 . 1 1 20 20 PRO CB C 20 31.996 31.996 32.234 -0.238 19811 4783 1 14 . 1 1 21 21 GLU N N 21 113.087 113.087 116.269 -3.182 19811 4784 1 14 . 1 1 21 21 GLU HA H 21 4.350 4.350 4.297 0.053 19811 4785 1 14 . 1 1 21 21 GLU CA C 21 56.513 56.513 56.047 0.466 19811 4786 1 14 . 1 1 21 21 GLU CB C 21 29.153 29.153 29.721 -0.568 19811 4787 1 14 . 1 1 21 21 GLU H H 21 7.960 7.960 8.309 -0.349 19811 4788 1 14 . 1 1 22 22 PHE N N 22 123.828 123.828 119.435 4.393 19811 4789 1 14 . 1 1 22 22 PHE HA H 22 4.518 4.518 4.579 -0.061 19811 4790 1 14 . 1 1 22 22 PHE CA C 22 58.778 58.778 58.230 0.548 19811 4791 1 14 . 1 1 22 22 PHE CB C 22 40.224 40.224 40.162 0.062 19811 4792 1 14 . 1 1 22 22 PHE H H 22 7.724 7.724 7.796 -0.072 19811 4793 1 14 . 1 1 23 23 THR N N 23 114.031 114.031 114.075 -0.044 19811 4794 1 14 . 1 1 23 23 THR HA H 23 4.791 4.791 4.428 0.363 19811 4795 1 14 . 1 1 23 23 THR CA C 23 60.340 60.340 60.938 -0.598 19811 4796 1 14 . 1 1 23 23 THR CB C 23 71.791 71.791 70.652 1.139 19811 4797 1 14 . 1 1 23 23 THR H H 23 8.504 8.504 8.250 0.254 19811 4798 1 14 . 1 1 24 24 VAL N N 24 122.541 122.541 119.752 2.789 19811 4799 1 14 . 1 1 24 24 VAL HA H 24 3.427 3.427 3.823 -0.396 19811 4800 1 14 . 1 1 24 24 VAL CA C 24 66.745 66.745 65.525 1.220 19811 4801 1 14 . 1 1 24 24 VAL CB C 24 30.735 30.735 30.692 0.043 19811 4802 1 14 . 1 1 24 24 VAL H H 24 8.918 8.918 8.344 0.574 19811 4803 1 14 . 1 1 25 25 LYS N N 25 121.079 121.079 119.654 1.425 19811 4804 1 14 . 1 1 25 25 LYS HA H 25 3.912 3.912 3.962 -0.050 19811 4805 1 14 . 1 1 25 25 LYS CA C 25 59.950 59.950 59.918 0.032 19811 4806 1 14 . 1 1 25 25 LYS CB C 25 32.824 32.824 32.203 0.621 19811 4807 1 14 . 1 1 25 25 LYS H H 25 8.622 8.622 8.189 0.433 19811 4808 1 14 . 1 1 26 26 GLU N N 26 118.646 118.646 120.410 -1.764 19811 4809 1 14 . 1 1 26 26 GLU HA H 26 3.859 3.859 4.324 -0.465 19811 4810 1 14 . 1 1 26 26 GLU CA C 26 59.012 59.012 59.477 -0.465 19811 4811 1 14 . 1 1 26 26 GLU CB C 26 29.344 29.344 29.442 -0.098 19811 4812 1 14 . 1 1 26 26 GLU H H 26 7.734 7.734 7.496 0.238 19811 4813 1 14 . 1 1 27 27 LEU N N 27 122.155 122.155 120.823 1.332 19811 4814 1 14 . 1 1 27 27 LEU HA H 27 4.136 4.136 4.250 -0.114 19811 4815 1 14 . 1 1 27 27 LEU CA C 27 58.226 58.226 57.849 0.377 19811 4816 1 14 . 1 1 27 27 LEU CB C 27 41.986 41.986 42.128 -0.142 19811 4817 1 14 . 1 1 27 27 LEU H H 27 8.000 8.000 8.106 -0.106 19811 4818 1 14 . 1 1 28 28 ALA N N 28 121.362 121.362 120.097 1.265 19811 4819 1 14 . 1 1 28 28 ALA HA H 28 3.837 3.837 4.056 -0.219 19811 4820 1 14 . 1 1 28 28 ALA CA C 28 55.872 55.872 55.026 0.846 19811 4821 1 14 . 1 1 28 28 ALA CB C 28 17.902 17.902 18.260 -0.358 19811 4822 1 14 . 1 1 28 28 ALA H H 28 8.899 8.899 7.886 1.013 19811 4823 1 14 . 1 1 29 29 GLU N N 29 116.582 116.582 118.056 -1.474 19811 4824 1 14 . 1 1 29 29 GLU HA H 29 3.814 3.814 4.061 -0.247 19811 4825 1 14 . 1 1 29 29 GLU CA C 29 59.849 59.849 58.791 1.058 19811 4826 1 14 . 1 1 29 29 GLU CB C 29 29.185 29.185 29.213 -0.028 19811 4827 1 14 . 1 1 29 29 GLU H H 29 8.437 8.437 7.994 0.443 19811 4828 1 14 . 1 1 30 30 GLU N N 30 121.430 121.430 120.419 1.011 19811 4829 1 14 . 1 1 30 30 GLU HA H 30 4.293 4.293 4.152 0.141 19811 4830 1 14 . 1 1 30 30 GLU CA C 30 58.829 58.829 59.075 -0.246 19811 4831 1 14 . 1 1 30 30 GLU CB C 30 28.720 28.720 29.886 -1.166 19811 4832 1 14 . 1 1 30 30 GLU H H 30 7.877 7.877 7.786 0.091 19811 4833 1 14 . 1 1 31 31 ILE N N 31 119.644 119.644 119.956 -0.312 19811 4834 1 14 . 1 1 31 31 ILE HA H 31 3.289 3.289 3.885 -0.596 19811 4835 1 14 . 1 1 31 31 ILE CA C 31 65.937 65.937 63.144 2.793 19811 4836 1 14 . 1 1 31 31 ILE CB C 31 38.338 38.338 38.141 0.198 19811 4837 1 14 . 1 1 31 31 ILE H H 31 8.438 8.438 7.467 0.971 19811 4838 1 14 . 1 1 32 32 ALA N N 32 120.190 120.190 121.940 -1.750 19811 4839 1 14 . 1 1 32 32 ALA HA H 32 3.637 3.637 4.092 -0.455 19811 4840 1 14 . 1 1 32 32 ALA CA C 32 56.071 56.071 54.893 1.178 19811 4841 1 14 . 1 1 32 32 ALA CB C 32 17.287 17.287 18.156 -0.869 19811 4842 1 14 . 1 1 32 32 ALA H H 32 8.609 8.609 7.803 0.806 19811 4843 1 14 . 1 1 33 33 ARG N N 33 116.846 116.846 117.777 -0.931 19811 4844 1 14 . 1 1 33 33 ARG HA H 33 4.085 4.085 4.080 0.005 19811 4845 1 14 . 1 1 33 33 ARG CA C 33 59.367 59.367 59.067 0.300 19811 4846 1 14 . 1 1 33 33 ARG CB C 33 30.575 30.575 30.482 0.094 19811 4847 1 14 . 1 1 33 33 ARG H H 33 7.817 7.817 7.677 0.140 19811 4848 1 14 . 1 1 34 34 ARG N N 34 118.212 118.212 117.821 0.391 19811 4849 1 14 . 1 1 34 34 ARG HA H 34 4.078 4.078 4.174 -0.096 19811 4850 1 14 . 1 1 34 34 ARG CA C 34 58.321 58.321 58.191 0.131 19811 4851 1 14 . 1 1 34 34 ARG CB C 34 29.771 29.771 29.827 -0.056 19811 4852 1 14 . 1 1 34 34 ARG H H 34 7.922 7.922 7.875 0.047 19811 4853 1 14 . 1 1 35 35 LEU N N 35 115.523 115.523 118.235 -2.712 19811 4854 1 14 . 1 1 35 35 LEU HA H 35 4.426 4.426 4.481 -0.055 19811 4855 1 14 . 1 1 35 35 LEU CA C 35 54.601 54.601 55.317 -0.716 19811 4856 1 14 . 1 1 35 35 LEU CB C 35 42.895 42.895 42.892 0.003 19811 4857 1 14 . 1 1 35 35 LEU H H 35 7.999 7.999 7.567 0.432 19811 4858 1 14 . 1 1 36 36 GLY N N 36 110.277 110.277 106.648 3.629 19811 4859 1 14 . 1 1 36 36 GLY CA C 36 46.906 46.906 45.295 1.611 19811 4860 1 14 . 1 1 36 36 GLY H H 36 7.864 7.864 7.852 0.012 19811 4861 1 14 . 1 1 37 37 LEU N N 37 119.310 119.310 118.548 0.762 19811 4862 1 14 . 1 1 37 37 LEU HA H 37 4.691 4.691 4.793 -0.102 19811 4863 1 14 . 1 1 37 37 LEU CA C 37 52.642 52.642 53.371 -0.730 19811 4864 1 14 . 1 1 37 37 LEU CB C 37 45.355 45.355 45.070 0.285 19811 4865 1 14 . 1 1 37 37 LEU H H 37 8.025 8.025 8.175 -0.150 19811 4866 1 14 . 1 1 38 38 SER N N 38 115.906 115.906 115.128 0.778 19811 4867 1 14 . 1 1 38 38 SER HA H 38 4.955 4.955 4.940 0.015 19811 4868 1 14 . 1 1 38 38 SER CA C 38 55.376 55.376 55.851 -0.475 19811 4869 1 14 . 1 1 38 38 SER CB C 38 63.732 63.732 63.374 0.358 19811 4870 1 14 . 1 1 38 38 SER H H 38 8.662 8.662 8.212 0.450 19811 4871 1 14 . 1 1 39 39 PRO HA H 39 3.976 3.976 4.407 -0.431 19811 4872 1 14 . 1 1 39 39 PRO CA C 39 65.434 65.434 64.380 1.054 19811 4873 1 14 . 1 1 39 39 PRO CB C 39 31.527 31.527 32.279 -0.752 19811 4874 1 14 . 1 1 40 40 GLU N N 40 115.609 115.609 115.360 0.249 19811 4875 1 14 . 1 1 40 40 GLU HA H 40 4.115 4.115 4.149 -0.034 19811 4876 1 14 . 1 1 40 40 GLU CA C 40 57.861 57.861 57.773 0.088 19811 4877 1 14 . 1 1 40 40 GLU CB C 40 28.842 28.842 29.124 -0.282 19811 4878 1 14 . 1 1 40 40 GLU H H 40 8.455 8.455 8.288 0.167 19811 4879 1 14 . 1 1 41 41 ASP N N 41 118.239 118.239 117.697 0.542 19811 4880 1 14 . 1 1 41 41 ASP HA H 41 4.711 4.711 4.744 -0.033 19811 4881 1 14 . 1 1 41 41 ASP CA C 41 54.862 54.862 55.549 -0.687 19811 4882 1 14 . 1 1 41 41 ASP CB C 41 41.920 41.920 43.078 -1.158 19811 4883 1 14 . 1 1 41 41 ASP H H 41 7.814 7.814 7.565 0.249 19811 4884 1 14 . 1 1 42 42 ILE N N 42 116.579 116.579 119.871 -3.292 19811 4885 1 14 . 1 1 42 42 ILE HA H 42 4.305 4.305 4.385 -0.080 19811 4886 1 14 . 1 1 42 42 ILE CA C 42 60.232 60.232 60.971 -0.739 19811 4887 1 14 . 1 1 42 42 ILE CB C 42 39.070 39.070 37.789 1.280 19811 4888 1 14 . 1 1 42 42 ILE H H 42 7.069 7.069 7.267 -0.198 19811 4889 1 14 . 1 1 43 43 LYS N N 43 128.374 128.374 126.326 2.048 19811 4890 1 14 . 1 1 43 43 LYS HA H 43 4.489 4.489 4.716 -0.227 19811 4891 1 14 . 1 1 43 43 LYS CA C 43 54.924 54.924 54.442 0.482 19811 4892 1 14 . 1 1 43 43 LYS CB C 43 35.322 35.322 34.883 0.439 19811 4893 1 14 . 1 1 43 43 LYS H H 43 8.709 8.709 8.512 0.197 19811 4894 1 14 . 1 1 44 44 LEU N N 44 126.700 126.700 125.732 0.968 19811 4895 1 14 . 1 1 44 44 LEU HA H 44 5.368 5.368 4.581 0.787 19811 4896 1 14 . 1 1 44 44 LEU CA C 44 52.839 52.839 54.965 -2.126 19811 4897 1 14 . 1 1 44 44 LEU CB C 44 44.529 44.529 42.855 1.674 19811 4898 1 14 . 1 1 44 44 LEU H H 44 8.929 8.929 8.977 -0.048 19811 4899 1 14 . 1 1 45 45 THR N N 45 112.945 112.945 120.036 -7.091 19811 4900 1 14 . 1 1 45 45 THR HA H 45 5.282 5.282 4.992 0.290 19811 4901 1 14 . 1 1 45 45 THR CA C 45 59.240 59.240 61.473 -2.233 19811 4902 1 14 . 1 1 45 45 THR CB C 45 72.146 72.146 70.032 2.114 19811 4903 1 14 . 1 1 45 45 THR H H 45 8.846 8.846 8.342 0.504 19811 4904 1 14 . 1 1 46 46 HIS N N 46 120.347 120.347 125.624 -5.277 19811 4905 1 14 . 1 1 46 46 HIS HA H 46 4.956 4.956 4.844 0.112 19811 4906 1 14 . 1 1 46 46 HIS CA C 46 55.757 55.757 55.836 -0.079 19811 4907 1 14 . 1 1 46 46 HIS CB C 46 34.673 34.673 33.093 1.580 19811 4908 1 14 . 1 1 46 46 HIS H H 46 8.620 8.620 9.094 -0.474 19811 4909 1 14 . 1 1 47 47 ASN N N 47 128.187 128.187 125.626 2.561 19811 4910 1 14 . 1 1 47 47 ASN HA H 47 4.178 4.178 4.326 -0.148 19811 4911 1 14 . 1 1 47 47 ASN CA C 47 53.481 53.481 53.829 -0.348 19811 4912 1 14 . 1 1 47 47 ASN CB C 47 36.888 36.888 37.448 -0.560 19811 4913 1 14 . 1 1 47 47 ASN H H 47 9.136 9.136 9.109 0.027 19811 4914 1 14 . 1 1 48 48 GLY N N 48 103.028 103.028 103.816 -0.788 19811 4915 1 14 . 1 1 48 48 GLY CA C 48 45.279 45.279 45.198 0.081 19811 4916 1 14 . 1 1 48 48 GLY H H 48 8.633 8.633 8.509 0.124 19811 4917 1 14 . 1 1 49 49 LYS N N 49 121.730 121.730 121.804 -0.074 19811 4918 1 14 . 1 1 49 49 LYS HA H 49 4.572 4.572 4.590 -0.018 19811 4919 1 14 . 1 1 49 49 LYS CA C 49 54.677 54.677 55.451 -0.774 19811 4920 1 14 . 1 1 49 49 LYS CB C 49 33.823 33.823 33.983 -0.160 19811 4921 1 14 . 1 1 49 49 LYS H H 49 7.790 7.790 7.727 0.063 19811 4922 1 14 . 1 1 50 50 THR N N 50 121.190 121.190 116.711 4.479 19811 4923 1 14 . 1 1 50 50 THR HA H 50 4.254 4.254 5.015 -0.761 19811 4924 1 14 . 1 1 50 50 THR CA C 50 63.304 63.304 60.882 2.422 19811 4925 1 14 . 1 1 50 50 THR CB C 50 68.732 68.732 69.922 -1.190 19811 4926 1 14 . 1 1 50 50 THR H H 50 8.735 8.735 8.372 0.363 19811 4927 1 14 . 1 1 51 51 LEU N N 51 127.406 127.406 126.755 0.651 19811 4928 1 14 . 1 1 51 51 LEU HA H 51 3.973 3.973 4.176 -0.203 19811 4929 1 14 . 1 1 51 51 LEU CA C 51 54.125 54.125 54.292 -0.167 19811 4930 1 14 . 1 1 51 51 LEU CB C 51 41.715 41.715 42.828 -1.113 19811 4931 1 14 . 1 1 51 51 LEU H H 51 8.586 8.586 8.309 0.277 19811 4932 1 14 . 1 1 52 52 ASP N N 52 126.711 126.711 124.496 2.215 19811 4933 1 14 . 1 1 52 52 ASP HA H 52 4.840 4.840 4.925 -0.085 19811 4934 1 14 . 1 1 52 52 ASP CA C 52 51.377 51.377 52.555 -1.178 19811 4935 1 14 . 1 1 52 52 ASP CB C 52 43.019 43.019 42.593 0.427 19811 4936 1 14 . 1 1 52 52 ASP H H 52 8.974 8.974 8.215 0.759 19811 4937 1 14 . 1 1 53 53 PRO HA H 53 4.095 4.095 4.483 -0.388 19811 4938 1 14 . 1 1 53 53 PRO CA C 53 64.240 64.240 64.391 -0.151 19811 4939 1 14 . 1 1 53 53 PRO CB C 53 33.077 33.077 32.270 0.807 19811 4940 1 14 . 1 1 54 54 SER N N 54 110.024 110.024 113.872 -3.848 19811 4941 1 14 . 1 1 54 54 SER HA H 54 4.330 4.330 4.278 0.052 19811 4942 1 14 . 1 1 54 54 SER CA C 54 59.971 59.971 60.084 -0.113 19811 4943 1 14 . 1 1 54 54 SER CB C 54 63.881 63.881 63.087 0.794 19811 4944 1 14 . 1 1 54 54 SER H H 54 8.643 8.643 8.511 0.132 19811 4945 1 14 . 1 1 55 55 LEU N N 55 123.514 123.514 120.366 3.148 19811 4946 1 14 . 1 1 55 55 LEU HA H 55 4.645 4.645 4.445 0.200 19811 4947 1 14 . 1 1 55 55 LEU CA C 55 50.579 50.579 54.393 -3.814 19811 4948 1 14 . 1 1 55 55 LEU CB C 55 43.928 43.928 43.473 0.455 19811 4949 1 14 . 1 1 55 55 LEU H H 55 7.722 7.722 7.445 0.277 19811 4950 1 14 . 1 1 56 56 THR N N 56 107.845 107.845 109.763 -1.918 19811 4951 1 14 . 1 1 56 56 THR HA H 56 4.921 4.921 4.556 0.365 19811 4952 1 14 . 1 1 56 56 THR CA C 56 60.266 60.266 61.031 -0.765 19811 4953 1 14 . 1 1 56 56 THR CB C 56 71.553 71.553 71.496 0.057 19811 4954 1 14 . 1 1 56 56 THR H H 56 8.335 8.335 8.128 0.207 19811 4955 1 14 . 1 1 57 57 LEU N N 57 118.354 118.354 120.550 -2.196 19811 4956 1 14 . 1 1 57 57 LEU HA H 57 3.992 3.992 4.571 -0.579 19811 4957 1 14 . 1 1 57 57 LEU CA C 57 58.658 58.658 57.047 1.611 19811 4958 1 14 . 1 1 57 57 LEU CB C 57 39.774 39.774 42.250 -2.476 19811 4959 1 14 . 1 1 57 57 LEU H H 57 8.117 8.117 8.768 -0.651 19811 4960 1 14 . 1 1 58 58 ALA N N 58 120.467 120.467 119.359 1.108 19811 4961 1 14 . 1 1 58 58 ALA HA H 58 4.075 4.075 4.226 -0.151 19811 4962 1 14 . 1 1 58 58 ALA CA C 58 55.047 55.047 53.924 1.123 19811 4963 1 14 . 1 1 58 58 ALA CB C 58 18.267 18.267 18.396 -0.129 19811 4964 1 14 . 1 1 58 58 ALA H H 58 8.730 8.730 8.352 0.378 19811 4965 1 14 . 1 1 59 59 GLU N N 59 119.907 119.907 117.993 1.914 19811 4966 1 14 . 1 1 59 59 GLU HA H 59 3.935 3.935 4.186 -0.251 19811 4967 1 14 . 1 1 59 59 GLU CA C 59 58.914 58.914 57.894 1.020 19811 4968 1 14 . 1 1 59 59 GLU CB C 59 29.623 29.623 29.776 -0.153 19811 4969 1 14 . 1 1 59 59 GLU H H 59 7.890 7.890 8.392 -0.502 19811 4970 1 14 . 1 1 60 60 TYR N N 60 116.582 116.582 118.801 -2.219 19811 4971 1 14 . 1 1 60 60 TYR HA H 60 4.554 4.554 4.433 0.121 19811 4972 1 14 . 1 1 60 60 TYR CA C 60 59.463 59.463 58.672 0.791 19811 4973 1 14 . 1 1 60 60 TYR CB C 60 40.288 40.288 39.279 1.009 19811 4974 1 14 . 1 1 60 60 TYR H H 60 7.448 7.448 7.587 -0.139 19811 4975 1 14 . 1 1 61 61 GLY N N 61 109.141 109.141 107.985 1.156 19811 4976 1 14 . 1 1 61 61 GLY CA C 61 46.380 46.380 44.941 1.439 19811 4977 1 14 . 1 1 61 61 GLY H H 61 8.067 8.067 7.796 0.271 19811 4978 1 14 . 1 1 62 62 ILE N N 62 120.506 120.506 121.422 -0.916 19811 4979 1 14 . 1 1 62 62 ILE HA H 62 3.614 3.614 4.369 -0.755 19811 4980 1 14 . 1 1 62 62 ILE CA C 62 61.392 61.392 60.956 0.436 19811 4981 1 14 . 1 1 62 62 ILE CB C 62 36.445 36.445 39.041 -2.596 19811 4982 1 14 . 1 1 62 62 ILE H H 62 7.416 7.416 7.562 -0.146 19811 4983 1 14 . 1 1 63 63 THR N N 63 117.984 117.984 118.727 -0.743 19811 4984 1 14 . 1 1 63 63 THR HA H 63 4.528 4.528 4.836 -0.308 19811 4985 1 14 . 1 1 63 63 THR CA C 63 58.942 58.942 59.278 -0.335 19811 4986 1 14 . 1 1 63 63 THR CB C 63 68.304 68.304 69.140 -0.836 19811 4987 1 14 . 1 1 63 63 THR H H 63 7.408 7.408 8.189 -0.781 19811 4988 1 14 . 1 1 64 64 PRO HA H 64 4.237 4.237 4.282 -0.045 19811 4989 1 14 . 1 1 64 64 PRO CA C 64 64.568 64.568 62.853 1.715 19811 4990 1 14 . 1 1 64 64 PRO CB C 64 31.861 31.861 31.907 -0.046 19811 4991 1 14 . 1 1 65 65 GLY N N 65 112.539 112.539 110.997 1.542 19811 4992 1 14 . 1 1 65 65 GLY CA C 65 44.719 44.719 45.015 -0.296 19811 4993 1 14 . 1 1 65 65 GLY H H 65 9.286 9.286 8.340 0.946 19811 4994 1 14 . 1 1 66 66 SER N N 66 116.523 116.523 116.467 0.056 19811 4995 1 14 . 1 1 66 66 SER HA H 66 4.535 4.535 4.846 -0.311 19811 4996 1 14 . 1 1 66 66 SER CA C 66 60.415 60.415 57.048 3.367 19811 4997 1 14 . 1 1 66 66 SER CB C 66 64.604 64.604 65.334 -0.730 19811 4998 1 14 . 1 1 66 66 SER H H 66 7.822 7.822 7.928 -0.106 19811 4999 1 14 . 1 1 67 67 THR N N 67 118.238 118.238 115.168 3.070 19811 5000 1 14 . 1 1 67 67 THR HA H 67 5.342 5.342 4.457 0.885 19811 5001 1 14 . 1 1 67 67 THR CA C 67 62.059 62.059 61.673 0.385 19811 5002 1 14 . 1 1 67 67 THR CB C 67 70.858 70.858 69.345 1.513 19811 5003 1 14 . 1 1 67 67 THR H H 67 8.715 8.715 8.424 0.291 19811 5004 1 14 . 1 1 68 68 ILE N N 68 126.891 126.891 127.651 -0.760 19811 5005 1 14 . 1 1 68 68 ILE HA H 68 4.761 4.761 4.696 0.065 19811 5006 1 14 . 1 1 68 68 ILE CA C 68 59.434 59.434 60.430 -0.996 19811 5007 1 14 . 1 1 68 68 ILE CB C 68 40.783 40.783 39.927 0.856 19811 5008 1 14 . 1 1 68 68 ILE H H 68 9.097 9.097 8.107 0.990 19811 5009 1 14 . 1 1 69 69 THR N N 69 120.333 120.333 119.786 0.547 19811 5010 1 14 . 1 1 69 69 THR HA H 69 4.566 4.566 4.881 -0.315 19811 5011 1 14 . 1 1 69 69 THR CA C 69 63.014 63.014 60.678 2.337 19811 5012 1 14 . 1 1 69 69 THR CB C 69 70.043 70.043 69.904 0.139 19811 5013 1 14 . 1 1 69 69 THR H H 69 8.903 8.903 8.555 0.348 19811 5014 1 14 . 1 1 70 70 LEU N N 70 126.490 126.490 122.583 3.907 19811 5015 1 14 . 1 1 70 70 LEU HA H 70 4.984 4.984 5.277 -0.293 19811 5016 1 14 . 1 1 70 70 LEU CA C 70 54.088 54.088 53.133 0.955 19811 5017 1 14 . 1 1 70 70 LEU CB C 70 44.772 44.772 44.553 0.219 19811 5018 1 14 . 1 1 70 70 LEU H H 70 8.191 8.191 7.868 0.323 19811 5019 1 14 . 1 1 71 71 GLU N N 71 125.912 125.912 120.141 5.771 19811 5020 1 14 . 1 1 71 71 GLU HA H 71 4.505 4.505 4.715 -0.210 19811 5021 1 14 . 1 1 71 71 GLU CA C 71 54.828 54.828 55.620 -0.792 19811 5022 1 14 . 1 1 71 71 GLU CB C 71 33.391 33.391 33.261 0.130 19811 5023 1 14 . 1 1 71 71 GLU H H 71 9.089 9.089 8.260 0.829 19811 5024 1 14 . 1 1 72 72 ILE N N 72 123.229 123.229 123.898 -0.669 19811 5025 1 14 . 1 1 72 72 ILE HA H 72 4.570 4.570 4.641 -0.071 19811 5026 1 14 . 1 1 72 72 ILE CA C 72 59.629 59.629 60.011 -0.383 19811 5027 1 14 . 1 1 72 72 ILE CB C 72 38.376 38.376 39.948 -1.572 19811 5028 1 14 . 1 1 72 72 ILE H H 72 8.526 8.526 8.518 0.008 19811 5029 1 14 . 1 1 73 73 LYS N N 73 129.392 129.392 125.918 3.474 19811 5030 1 14 . 1 1 73 73 LYS HA H 73 4.178 4.178 4.503 -0.325 19811 5031 1 14 . 1 1 73 73 LYS CA C 73 56.564 56.564 55.795 0.769 19811 5032 1 14 . 1 1 73 73 LYS CB C 73 33.320 33.320 33.592 -0.272 19811 5033 1 14 . 1 1 73 73 LYS H H 73 8.837 8.837 8.523 0.314 19811 5034 1 14 . 1 1 74 74 LYS N N 74 123.476 123.476 121.208 2.268 19811 5035 1 14 . 1 1 74 74 LYS HA H 74 4.255 4.255 4.353 -0.098 19811 5036 1 14 . 1 1 74 74 LYS CA C 74 56.000 56.000 56.830 -0.830 19811 5037 1 14 . 1 1 74 74 LYS CB C 74 33.223 33.223 33.193 0.030 19811 5038 1 14 . 1 1 74 74 LYS H H 74 8.266 8.266 8.449 -0.183 19811 5039 1 14 . 1 1 75 75 LYS N N 75 124.450 124.450 121.462 2.988 19811 5040 1 14 . 1 1 75 75 LYS HA H 75 4.245 4.245 4.458 -0.213 19811 5041 1 14 . 1 1 75 75 LYS CA C 75 56.677 56.677 56.057 0.620 19811 5042 1 14 . 1 1 75 75 LYS CB C 75 32.876 32.876 33.090 -0.214 19811 5043 1 14 . 1 1 75 75 LYS H H 75 8.572 8.572 7.826 0.746 19811 5044 1 14 . 1 1 76 76 GLY N N 76 110.666 110.666 109.507 1.159 19811 5045 1 14 . 1 1 76 76 GLY CA C 76 45.330 45.330 44.994 0.336 19811 5046 1 14 . 1 1 76 76 GLY H H 76 8.549 8.549 8.431 0.118 19811 5047 1 14 . 1 1 77 77 GLY N N 77 108.740 108.740 109.729 -0.989 19811 5048 1 14 . 1 1 77 77 GLY CA C 77 45.300 45.300 44.893 0.407 19811 5049 1 14 . 1 1 77 77 GLY H H 77 8.332 8.332 8.117 0.215 19811 5050 1 14 . 1 1 78 78 LEU N N 78 121.371 121.371 122.547 -1.176 19811 5051 1 14 . 1 1 78 78 LEU HA H 78 4.263 4.263 4.572 -0.309 19811 5052 1 14 . 1 1 78 78 LEU CA C 78 55.127 55.127 54.849 0.278 19811 5053 1 14 . 1 1 78 78 LEU CB C 78 42.290 42.290 43.598 -1.308 19811 5054 1 14 . 1 1 78 78 LEU H H 78 8.165 8.165 8.377 -0.212 19811 5055 1 15 . 1 1 2 2 ASP N N 2 121.707 121.707 116.757 4.950 19811 5056 1 15 . 1 1 2 2 ASP HA H 2 4.798 4.798 4.894 -0.096 19811 5057 1 15 . 1 1 2 2 ASP CA C 2 54.249 54.249 54.416 -0.167 19811 5058 1 15 . 1 1 2 2 ASP CB C 2 42.163 42.163 43.083 -0.920 19811 5059 1 15 . 1 1 2 2 ASP H H 2 8.479 8.479 8.347 0.132 19811 5060 1 15 . 1 1 3 3 THR N N 3 109.876 109.876 112.729 -2.853 19811 5061 1 15 . 1 1 3 3 THR HA H 3 5.324 5.324 5.358 -0.034 19811 5062 1 15 . 1 1 3 3 THR CA C 3 59.553 59.553 60.721 -1.168 19811 5063 1 15 . 1 1 3 3 THR CB C 3 72.235 72.235 70.626 1.609 19811 5064 1 15 . 1 1 3 3 THR H H 3 7.857 7.857 7.637 0.220 19811 5065 1 15 . 1 1 4 4 ILE N N 4 115.792 115.792 116.481 -0.689 19811 5066 1 15 . 1 1 4 4 ILE HA H 4 4.464 4.464 4.612 -0.148 19811 5067 1 15 . 1 1 4 4 ILE CA C 4 59.314 59.314 59.590 -0.276 19811 5068 1 15 . 1 1 4 4 ILE CB C 4 41.940 41.940 41.218 0.722 19811 5069 1 15 . 1 1 4 4 ILE H H 4 8.665 8.665 8.614 0.051 19811 5070 1 15 . 1 1 5 5 ASN N N 5 119.913 119.913 119.911 0.002 19811 5071 1 15 . 1 1 5 5 ASN HA H 5 5.438 5.438 5.776 -0.338 19811 5072 1 15 . 1 1 5 5 ASN CA C 5 51.594 51.594 51.661 -0.067 19811 5073 1 15 . 1 1 5 5 ASN CB C 5 41.031 41.031 41.544 -0.513 19811 5074 1 15 . 1 1 5 5 ASN H H 5 8.457 8.457 8.159 0.298 19811 5075 1 15 . 1 1 6 6 ILE N N 6 122.674 122.674 125.227 -2.553 19811 5076 1 15 . 1 1 6 6 ILE HA H 6 5.035 5.035 4.408 0.627 19811 5077 1 15 . 1 1 6 6 ILE CA C 6 57.857 57.857 60.510 -2.653 19811 5078 1 15 . 1 1 6 6 ILE CB C 6 38.947 38.947 39.181 -0.234 19811 5079 1 15 . 1 1 6 6 ILE H H 6 9.426 9.426 8.363 1.063 19811 5080 1 15 . 1 1 7 7 THR N N 7 124.398 124.398 123.807 0.591 19811 5081 1 15 . 1 1 7 7 THR HA H 7 4.512 4.512 4.737 -0.225 19811 5082 1 15 . 1 1 7 7 THR CA C 7 62.639 62.639 62.450 0.188 19811 5083 1 15 . 1 1 7 7 THR CB C 7 69.074 69.074 69.499 -0.425 19811 5084 1 15 . 1 1 7 7 THR H H 7 9.152 9.152 8.419 0.733 19811 5085 1 15 . 1 1 8 8 LEU N N 8 127.909 127.909 127.036 0.873 19811 5086 1 15 . 1 1 8 8 LEU HA H 8 4.601 4.601 4.883 -0.282 19811 5087 1 15 . 1 1 8 8 LEU CA C 8 53.537 53.537 51.781 1.756 19811 5088 1 15 . 1 1 8 8 LEU CB C 8 39.928 39.928 44.282 -4.354 19811 5089 1 15 . 1 1 8 8 LEU H H 8 8.992 8.992 8.010 0.982 19811 5090 1 15 . 1 1 9 9 PRO HA H 9 4.419 4.419 4.378 0.041 19811 5091 1 15 . 1 1 9 9 PRO CA C 9 65.184 65.184 65.079 0.104 19811 5092 1 15 . 1 1 9 9 PRO CB C 9 31.999 31.999 31.596 0.403 19811 5093 1 15 . 1 1 10 10 ASP N N 10 113.521 113.521 117.429 -3.908 19811 5094 1 15 . 1 1 10 10 ASP HA H 10 4.490 4.490 4.635 -0.145 19811 5095 1 15 . 1 1 10 10 ASP CA C 10 53.129 53.129 54.539 -1.410 19811 5096 1 15 . 1 1 10 10 ASP CB C 10 39.986 39.986 40.998 -1.012 19811 5097 1 15 . 1 1 10 10 ASP H H 10 7.678 7.678 8.141 -0.463 19811 5098 1 15 . 1 1 11 11 GLY N N 11 108.658 108.658 106.762 1.896 19811 5099 1 15 . 1 1 11 11 GLY CA C 11 45.218 45.218 44.997 0.221 19811 5100 1 15 . 1 1 11 11 GLY H H 11 8.376 8.376 7.822 0.554 19811 5101 1 15 . 1 1 12 12 LYS N N 12 121.449 121.449 118.856 2.593 19811 5102 1 15 . 1 1 12 12 LYS HA H 12 4.331 4.331 4.688 -0.357 19811 5103 1 15 . 1 1 12 12 LYS CA C 12 56.660 56.660 55.096 1.564 19811 5104 1 15 . 1 1 12 12 LYS CB C 12 33.199 33.199 33.822 -0.623 19811 5105 1 15 . 1 1 12 12 LYS H H 12 7.766 7.766 7.750 0.016 19811 5106 1 15 . 1 1 13 13 THR N N 13 113.928 113.928 112.557 1.371 19811 5107 1 15 . 1 1 13 13 THR HA H 13 5.193 5.193 5.282 -0.089 19811 5108 1 15 . 1 1 13 13 THR CA C 13 61.734 61.734 60.425 1.309 19811 5109 1 15 . 1 1 13 13 THR CB C 13 71.481 71.481 71.067 0.414 19811 5110 1 15 . 1 1 13 13 THR H H 13 8.248 8.248 8.160 0.088 19811 5111 1 15 . 1 1 14 14 LEU N N 14 128.446 128.446 123.354 5.092 19811 5112 1 15 . 1 1 14 14 LEU HA H 14 4.739 4.739 4.817 -0.078 19811 5113 1 15 . 1 1 14 14 LEU CA C 14 53.403 53.403 54.192 -0.789 19811 5114 1 15 . 1 1 14 14 LEU CB C 14 45.480 45.480 45.774 -0.294 19811 5115 1 15 . 1 1 14 14 LEU H H 14 9.270 9.270 8.194 1.076 19811 5116 1 15 . 1 1 15 15 THR N N 15 123.048 123.048 118.450 4.598 19811 5117 1 15 . 1 1 15 15 THR HA H 15 5.191 5.191 5.410 -0.219 19811 5118 1 15 . 1 1 15 15 THR CA C 15 61.986 61.986 61.579 0.407 19811 5119 1 15 . 1 1 15 15 THR CB C 15 70.339 70.339 69.712 0.627 19811 5120 1 15 . 1 1 15 15 THR H H 15 8.759 8.759 8.281 0.478 19811 5121 1 15 . 1 1 16 16 LEU N N 16 125.874 125.874 127.684 -1.810 19811 5122 1 15 . 1 1 16 16 LEU HA H 16 4.770 4.770 4.883 -0.113 19811 5123 1 15 . 1 1 16 16 LEU CA C 16 53.222 53.222 53.619 -0.397 19811 5124 1 15 . 1 1 16 16 LEU CB C 16 45.322 45.322 46.215 -0.894 19811 5125 1 15 . 1 1 16 16 LEU H H 16 8.551 8.551 8.382 0.169 19811 5126 1 15 . 1 1 17 17 THR N N 17 117.080 117.080 118.382 -1.302 19811 5127 1 15 . 1 1 17 17 THR HA H 17 4.629 4.629 5.257 -0.628 19811 5128 1 15 . 1 1 17 17 THR CA C 17 61.950 61.950 61.580 0.370 19811 5129 1 15 . 1 1 17 17 THR CB C 17 69.202 69.202 69.410 -0.208 19811 5130 1 15 . 1 1 17 17 THR H H 17 8.342 8.342 8.191 0.151 19811 5131 1 15 . 1 1 18 18 VAL N N 18 116.699 116.699 118.288 -1.589 19811 5132 1 15 . 1 1 18 18 VAL HA H 18 3.910 3.910 4.626 -0.716 19811 5133 1 15 . 1 1 18 18 VAL CA C 18 58.565 58.565 59.728 -1.163 19811 5134 1 15 . 1 1 18 18 VAL CB C 18 35.910 35.910 34.461 1.449 19811 5135 1 15 . 1 1 18 18 VAL H H 18 8.131 8.131 8.374 -0.243 19811 5136 1 15 . 1 1 19 19 THR N N 19 110.389 110.389 108.481 1.908 19811 5137 1 15 . 1 1 19 19 THR HA H 19 4.807 4.807 4.620 0.187 19811 5138 1 15 . 1 1 19 19 THR CA C 19 58.916 58.916 58.441 0.475 19811 5139 1 15 . 1 1 19 19 THR CB C 19 68.674 68.674 70.135 -1.461 19811 5140 1 15 . 1 1 19 19 THR H H 19 6.219 6.219 7.579 -1.360 19811 5141 1 15 . 1 1 20 20 PRO HA H 20 4.382 4.382 3.935 0.447 19811 5142 1 15 . 1 1 20 20 PRO CA C 20 65.110 65.110 64.598 0.512 19811 5143 1 15 . 1 1 20 20 PRO CB C 20 31.996 31.996 32.051 -0.055 19811 5144 1 15 . 1 1 21 21 GLU N N 21 113.087 113.087 116.530 -3.443 19811 5145 1 15 . 1 1 21 21 GLU HA H 21 4.350 4.350 4.310 0.040 19811 5146 1 15 . 1 1 21 21 GLU CA C 21 56.513 56.513 55.655 0.858 19811 5147 1 15 . 1 1 21 21 GLU CB C 21 29.153 29.153 29.412 -0.259 19811 5148 1 15 . 1 1 21 21 GLU H H 21 7.960 7.960 8.056 -0.096 19811 5149 1 15 . 1 1 22 22 PHE N N 22 123.828 123.828 117.377 6.451 19811 5150 1 15 . 1 1 22 22 PHE HA H 22 4.518 4.518 4.906 -0.388 19811 5151 1 15 . 1 1 22 22 PHE CA C 22 58.778 58.778 54.050 4.728 19811 5152 1 15 . 1 1 22 22 PHE CB C 22 40.224 40.224 39.143 1.081 19811 5153 1 15 . 1 1 22 22 PHE H H 22 7.724 7.724 7.796 -0.072 19811 5154 1 15 . 1 1 23 23 THR N N 23 114.031 114.031 110.936 3.095 19811 5155 1 15 . 1 1 23 23 THR HA H 23 4.791 4.791 4.543 0.248 19811 5156 1 15 . 1 1 23 23 THR CA C 23 60.340 60.340 60.064 0.276 19811 5157 1 15 . 1 1 23 23 THR CB C 23 71.791 71.791 72.148 -0.357 19811 5158 1 15 . 1 1 23 23 THR H H 23 8.504 8.504 7.964 0.540 19811 5159 1 15 . 1 1 24 24 VAL N N 24 122.541 122.541 120.517 2.024 19811 5160 1 15 . 1 1 24 24 VAL HA H 24 3.427 3.427 3.533 -0.106 19811 5161 1 15 . 1 1 24 24 VAL CA C 24 66.745 66.745 66.582 0.163 19811 5162 1 15 . 1 1 24 24 VAL CB C 24 30.735 30.735 31.347 -0.612 19811 5163 1 15 . 1 1 24 24 VAL H H 24 8.918 8.918 8.185 0.733 19811 5164 1 15 . 1 1 25 25 LYS N N 25 121.079 121.079 119.404 1.675 19811 5165 1 15 . 1 1 25 25 LYS HA H 25 3.912 3.912 3.977 -0.065 19811 5166 1 15 . 1 1 25 25 LYS CA C 25 59.950 59.950 59.686 0.264 19811 5167 1 15 . 1 1 25 25 LYS CB C 25 32.824 32.824 32.102 0.722 19811 5168 1 15 . 1 1 25 25 LYS H H 25 8.622 8.622 8.256 0.366 19811 5169 1 15 . 1 1 26 26 GLU N N 26 118.646 118.646 119.949 -1.303 19811 5170 1 15 . 1 1 26 26 GLU HA H 26 3.859 3.859 4.358 -0.499 19811 5171 1 15 . 1 1 26 26 GLU CA C 26 59.012 59.012 58.969 0.043 19811 5172 1 15 . 1 1 26 26 GLU CB C 26 29.344 29.344 29.689 -0.345 19811 5173 1 15 . 1 1 26 26 GLU H H 26 7.734 7.734 7.620 0.114 19811 5174 1 15 . 1 1 27 27 LEU N N 27 122.155 122.155 119.984 2.171 19811 5175 1 15 . 1 1 27 27 LEU HA H 27 4.136 4.136 4.148 -0.012 19811 5176 1 15 . 1 1 27 27 LEU CA C 27 58.226 58.226 57.697 0.529 19811 5177 1 15 . 1 1 27 27 LEU CB C 27 41.986 41.986 41.980 0.007 19811 5178 1 15 . 1 1 27 27 LEU H H 27 8.000 8.000 7.716 0.284 19811 5179 1 15 . 1 1 28 28 ALA N N 28 121.362 121.362 120.352 1.010 19811 5180 1 15 . 1 1 28 28 ALA HA H 28 3.837 3.837 4.099 -0.262 19811 5181 1 15 . 1 1 28 28 ALA CA C 28 55.872 55.872 54.940 0.932 19811 5182 1 15 . 1 1 28 28 ALA CB C 28 17.902 17.902 18.341 -0.439 19811 5183 1 15 . 1 1 28 28 ALA H H 28 8.899 8.899 7.660 1.239 19811 5184 1 15 . 1 1 29 29 GLU N N 29 116.582 116.582 117.534 -0.952 19811 5185 1 15 . 1 1 29 29 GLU HA H 29 3.814 3.814 4.089 -0.275 19811 5186 1 15 . 1 1 29 29 GLU CA C 29 59.849 59.849 58.561 1.288 19811 5187 1 15 . 1 1 29 29 GLU CB C 29 29.185 29.185 29.298 -0.113 19811 5188 1 15 . 1 1 29 29 GLU H H 29 8.437 8.437 7.881 0.556 19811 5189 1 15 . 1 1 30 30 GLU N N 30 121.430 121.430 120.292 1.138 19811 5190 1 15 . 1 1 30 30 GLU HA H 30 4.293 4.293 4.178 0.115 19811 5191 1 15 . 1 1 30 30 GLU CA C 30 58.829 58.829 59.213 -0.384 19811 5192 1 15 . 1 1 30 30 GLU CB C 30 28.720 28.720 29.631 -0.912 19811 5193 1 15 . 1 1 30 30 GLU H H 30 7.877 7.877 7.785 0.092 19811 5194 1 15 . 1 1 31 31 ILE N N 31 119.644 119.644 120.191 -0.547 19811 5195 1 15 . 1 1 31 31 ILE HA H 31 3.289 3.289 3.891 -0.602 19811 5196 1 15 . 1 1 31 31 ILE CA C 31 65.937 65.937 63.209 2.728 19811 5197 1 15 . 1 1 31 31 ILE CB C 31 38.338 38.338 38.133 0.205 19811 5198 1 15 . 1 1 31 31 ILE H H 31 8.438 8.438 7.495 0.943 19811 5199 1 15 . 1 1 32 32 ALA N N 32 120.190 120.190 121.708 -1.518 19811 5200 1 15 . 1 1 32 32 ALA HA H 32 3.637 3.637 4.146 -0.509 19811 5201 1 15 . 1 1 32 32 ALA CA C 32 56.071 56.071 54.696 1.375 19811 5202 1 15 . 1 1 32 32 ALA CB C 32 17.287 17.287 18.235 -0.948 19811 5203 1 15 . 1 1 32 32 ALA H H 32 8.609 8.609 7.670 0.939 19811 5204 1 15 . 1 1 33 33 ARG N N 33 116.846 116.846 117.680 -0.834 19811 5205 1 15 . 1 1 33 33 ARG HA H 33 4.085 4.085 4.055 0.030 19811 5206 1 15 . 1 1 33 33 ARG CA C 33 59.367 59.367 58.893 0.474 19811 5207 1 15 . 1 1 33 33 ARG CB C 33 30.575 30.575 30.412 0.163 19811 5208 1 15 . 1 1 33 33 ARG H H 33 7.817 7.817 7.600 0.217 19811 5209 1 15 . 1 1 34 34 ARG N N 34 118.212 118.212 117.174 1.038 19811 5210 1 15 . 1 1 34 34 ARG HA H 34 4.078 4.078 4.236 -0.158 19811 5211 1 15 . 1 1 34 34 ARG CA C 34 58.321 58.321 57.946 0.375 19811 5212 1 15 . 1 1 34 34 ARG CB C 34 29.771 29.771 30.156 -0.385 19811 5213 1 15 . 1 1 34 34 ARG H H 34 7.922 7.922 8.017 -0.095 19811 5214 1 15 . 1 1 35 35 LEU N N 35 115.523 115.523 118.406 -2.883 19811 5215 1 15 . 1 1 35 35 LEU HA H 35 4.426 4.426 4.507 -0.081 19811 5216 1 15 . 1 1 35 35 LEU CA C 35 54.601 54.601 55.110 -0.509 19811 5217 1 15 . 1 1 35 35 LEU CB C 35 42.895 42.895 42.910 -0.015 19811 5218 1 15 . 1 1 35 35 LEU H H 35 7.999 7.999 7.530 0.469 19811 5219 1 15 . 1 1 36 36 GLY N N 36 110.277 110.277 108.087 2.190 19811 5220 1 15 . 1 1 36 36 GLY CA C 36 46.906 46.906 45.304 1.602 19811 5221 1 15 . 1 1 36 36 GLY H H 36 7.864 7.864 7.940 -0.076 19811 5222 1 15 . 1 1 37 37 LEU N N 37 119.310 119.310 118.179 1.131 19811 5223 1 15 . 1 1 37 37 LEU HA H 37 4.691 4.691 4.636 0.055 19811 5224 1 15 . 1 1 37 37 LEU CA C 37 52.642 52.642 53.477 -0.835 19811 5225 1 15 . 1 1 37 37 LEU CB C 37 45.355 45.355 45.042 0.313 19811 5226 1 15 . 1 1 37 37 LEU H H 37 8.025 8.025 7.669 0.356 19811 5227 1 15 . 1 1 38 38 SER N N 38 115.906 115.906 114.542 1.364 19811 5228 1 15 . 1 1 38 38 SER HA H 38 4.955 4.955 4.961 -0.006 19811 5229 1 15 . 1 1 38 38 SER CA C 38 55.376 55.376 55.287 0.089 19811 5230 1 15 . 1 1 38 38 SER CB C 38 63.732 63.732 64.062 -0.330 19811 5231 1 15 . 1 1 38 38 SER H H 38 8.662 8.662 8.341 0.321 19811 5232 1 15 . 1 1 39 39 PRO HA H 39 3.976 3.976 4.281 -0.305 19811 5233 1 15 . 1 1 39 39 PRO CA C 39 65.434 65.434 64.492 0.942 19811 5234 1 15 . 1 1 39 39 PRO CB C 39 31.527 31.527 32.143 -0.616 19811 5235 1 15 . 1 1 40 40 GLU N N 40 115.609 115.609 114.704 0.905 19811 5236 1 15 . 1 1 40 40 GLU HA H 40 4.115 4.115 4.217 -0.102 19811 5237 1 15 . 1 1 40 40 GLU CA C 40 57.861 57.861 57.300 0.561 19811 5238 1 15 . 1 1 40 40 GLU CB C 40 28.842 28.842 29.359 -0.517 19811 5239 1 15 . 1 1 40 40 GLU H H 40 8.455 8.455 8.251 0.204 19811 5240 1 15 . 1 1 41 41 ASP N N 41 118.239 118.239 117.286 0.953 19811 5241 1 15 . 1 1 41 41 ASP HA H 41 4.711 4.711 4.809 -0.098 19811 5242 1 15 . 1 1 41 41 ASP CA C 41 54.862 54.862 55.742 -0.880 19811 5243 1 15 . 1 1 41 41 ASP CB C 41 41.920 41.920 43.115 -1.196 19811 5244 1 15 . 1 1 41 41 ASP H H 41 7.814 7.814 7.897 -0.083 19811 5245 1 15 . 1 1 42 42 ILE N N 42 116.579 116.579 120.060 -3.481 19811 5246 1 15 . 1 1 42 42 ILE HA H 42 4.305 4.305 4.093 0.212 19811 5247 1 15 . 1 1 42 42 ILE CA C 42 60.232 60.232 61.577 -1.345 19811 5248 1 15 . 1 1 42 42 ILE CB C 42 39.070 39.070 38.595 0.475 19811 5249 1 15 . 1 1 42 42 ILE H H 42 7.069 7.069 7.327 -0.258 19811 5250 1 15 . 1 1 43 43 LYS N N 43 128.374 128.374 126.603 1.771 19811 5251 1 15 . 1 1 43 43 LYS HA H 43 4.489 4.489 4.702 -0.213 19811 5252 1 15 . 1 1 43 43 LYS CA C 43 54.924 54.924 54.794 0.130 19811 5253 1 15 . 1 1 43 43 LYS CB C 43 35.322 35.322 35.908 -0.586 19811 5254 1 15 . 1 1 43 43 LYS H H 43 8.709 8.709 8.226 0.483 19811 5255 1 15 . 1 1 44 44 LEU N N 44 126.700 126.700 126.062 0.638 19811 5256 1 15 . 1 1 44 44 LEU HA H 44 5.368 5.368 4.520 0.848 19811 5257 1 15 . 1 1 44 44 LEU CA C 44 52.839 52.839 54.792 -1.953 19811 5258 1 15 . 1 1 44 44 LEU CB C 44 44.529 44.529 43.469 1.060 19811 5259 1 15 . 1 1 44 44 LEU H H 44 8.929 8.929 8.727 0.202 19811 5260 1 15 . 1 1 45 45 THR N N 45 112.945 112.945 118.594 -5.649 19811 5261 1 15 . 1 1 45 45 THR HA H 45 5.282 5.282 4.967 0.315 19811 5262 1 15 . 1 1 45 45 THR CA C 45 59.240 59.240 61.331 -2.091 19811 5263 1 15 . 1 1 45 45 THR CB C 45 72.146 72.146 70.448 1.698 19811 5264 1 15 . 1 1 45 45 THR H H 45 8.846 8.846 8.200 0.646 19811 5265 1 15 . 1 1 46 46 HIS N N 46 120.347 120.347 124.477 -4.130 19811 5266 1 15 . 1 1 46 46 HIS HA H 46 4.956 4.956 4.818 0.138 19811 5267 1 15 . 1 1 46 46 HIS CA C 46 55.757 55.757 55.964 -0.207 19811 5268 1 15 . 1 1 46 46 HIS CB C 46 34.673 34.673 33.026 1.647 19811 5269 1 15 . 1 1 46 46 HIS H H 46 8.620 8.620 9.132 -0.512 19811 5270 1 15 . 1 1 47 47 ASN N N 47 128.187 128.187 125.540 2.647 19811 5271 1 15 . 1 1 47 47 ASN HA H 47 4.178 4.178 4.427 -0.249 19811 5272 1 15 . 1 1 47 47 ASN CA C 47 53.481 53.481 53.603 -0.122 19811 5273 1 15 . 1 1 47 47 ASN CB C 47 36.888 36.888 38.122 -1.234 19811 5274 1 15 . 1 1 47 47 ASN H H 47 9.136 9.136 8.996 0.140 19811 5275 1 15 . 1 1 48 48 GLY N N 48 103.028 103.028 102.485 0.543 19811 5276 1 15 . 1 1 48 48 GLY CA C 48 45.279 45.279 44.922 0.357 19811 5277 1 15 . 1 1 48 48 GLY H H 48 8.633 8.633 8.231 0.402 19811 5278 1 15 . 1 1 49 49 LYS N N 49 121.730 121.730 122.315 -0.585 19811 5279 1 15 . 1 1 49 49 LYS HA H 49 4.572 4.572 4.676 -0.104 19811 5280 1 15 . 1 1 49 49 LYS CA C 49 54.677 54.677 55.171 -0.494 19811 5281 1 15 . 1 1 49 49 LYS CB C 49 33.823 33.823 34.150 -0.327 19811 5282 1 15 . 1 1 49 49 LYS H H 49 7.790 7.790 7.693 0.097 19811 5283 1 15 . 1 1 50 50 THR N N 50 121.190 121.190 113.595 7.595 19811 5284 1 15 . 1 1 50 50 THR HA H 50 4.254 4.254 5.065 -0.811 19811 5285 1 15 . 1 1 50 50 THR CA C 50 63.304 63.304 60.830 2.474 19811 5286 1 15 . 1 1 50 50 THR CB C 50 68.732 68.732 70.230 -1.498 19811 5287 1 15 . 1 1 50 50 THR H H 50 8.735 8.735 8.332 0.403 19811 5288 1 15 . 1 1 51 51 LEU N N 51 127.406 127.406 122.559 4.847 19811 5289 1 15 . 1 1 51 51 LEU HA H 51 3.973 3.973 4.163 -0.190 19811 5290 1 15 . 1 1 51 51 LEU CA C 51 54.125 54.125 54.168 -0.043 19811 5291 1 15 . 1 1 51 51 LEU CB C 51 41.715 41.715 43.473 -1.758 19811 5292 1 15 . 1 1 51 51 LEU H H 51 8.586 8.586 8.000 0.586 19811 5293 1 15 . 1 1 52 52 ASP N N 52 126.711 126.711 124.549 2.162 19811 5294 1 15 . 1 1 52 52 ASP HA H 52 4.840 4.840 4.889 -0.049 19811 5295 1 15 . 1 1 52 52 ASP CA C 52 51.377 51.377 51.778 -0.401 19811 5296 1 15 . 1 1 52 52 ASP CB C 52 43.019 43.019 43.115 -0.096 19811 5297 1 15 . 1 1 52 52 ASP H H 52 8.974 8.974 7.953 1.021 19811 5298 1 15 . 1 1 53 53 PRO HA H 53 4.095 4.095 4.348 -0.253 19811 5299 1 15 . 1 1 53 53 PRO CA C 53 64.240 64.240 64.343 -0.103 19811 5300 1 15 . 1 1 53 53 PRO CB C 53 33.077 33.077 32.085 0.992 19811 5301 1 15 . 1 1 54 54 SER N N 54 110.024 110.024 113.672 -3.648 19811 5302 1 15 . 1 1 54 54 SER HA H 54 4.330 4.330 4.340 -0.010 19811 5303 1 15 . 1 1 54 54 SER CA C 54 59.971 59.971 59.943 0.028 19811 5304 1 15 . 1 1 54 54 SER CB C 54 63.881 63.881 63.420 0.461 19811 5305 1 15 . 1 1 54 54 SER H H 54 8.643 8.643 7.922 0.721 19811 5306 1 15 . 1 1 55 55 LEU N N 55 123.514 123.514 120.411 3.103 19811 5307 1 15 . 1 1 55 55 LEU HA H 55 4.645 4.645 4.500 0.145 19811 5308 1 15 . 1 1 55 55 LEU CA C 55 50.579 50.579 54.147 -3.568 19811 5309 1 15 . 1 1 55 55 LEU CB C 55 43.928 43.928 43.275 0.653 19811 5310 1 15 . 1 1 55 55 LEU H H 55 7.722 7.722 7.359 0.363 19811 5311 1 15 . 1 1 56 56 THR N N 56 107.845 107.845 109.848 -2.003 19811 5312 1 15 . 1 1 56 56 THR HA H 56 4.921 4.921 4.498 0.423 19811 5313 1 15 . 1 1 56 56 THR CA C 56 60.266 60.266 61.147 -0.881 19811 5314 1 15 . 1 1 56 56 THR CB C 56 71.553 71.553 70.534 1.019 19811 5315 1 15 . 1 1 56 56 THR H H 56 8.335 8.335 8.123 0.212 19811 5316 1 15 . 1 1 57 57 LEU N N 57 118.354 118.354 120.387 -2.033 19811 5317 1 15 . 1 1 57 57 LEU HA H 57 3.992 3.992 4.390 -0.398 19811 5318 1 15 . 1 1 57 57 LEU CA C 57 58.658 58.658 56.792 1.865 19811 5319 1 15 . 1 1 57 57 LEU CB C 57 39.774 39.774 41.492 -1.718 19811 5320 1 15 . 1 1 57 57 LEU H H 57 8.117 8.117 8.058 0.059 19811 5321 1 15 . 1 1 58 58 ALA N N 58 120.467 120.467 120.477 -0.010 19811 5322 1 15 . 1 1 58 58 ALA HA H 58 4.075 4.075 4.353 -0.278 19811 5323 1 15 . 1 1 58 58 ALA CA C 58 55.047 55.047 54.335 0.712 19811 5324 1 15 . 1 1 58 58 ALA CB C 58 18.267 18.267 18.607 -0.340 19811 5325 1 15 . 1 1 58 58 ALA H H 58 8.730 8.730 8.398 0.332 19811 5326 1 15 . 1 1 59 59 GLU N N 59 119.907 119.907 117.338 2.569 19811 5327 1 15 . 1 1 59 59 GLU HA H 59 3.935 3.935 4.190 -0.255 19811 5328 1 15 . 1 1 59 59 GLU CA C 59 58.914 58.914 57.575 1.339 19811 5329 1 15 . 1 1 59 59 GLU CB C 59 29.623 29.623 29.655 -0.032 19811 5330 1 15 . 1 1 59 59 GLU H H 59 7.890 7.890 8.367 -0.477 19811 5331 1 15 . 1 1 60 60 TYR N N 60 116.582 116.582 118.566 -1.984 19811 5332 1 15 . 1 1 60 60 TYR HA H 60 4.554 4.554 4.394 0.160 19811 5333 1 15 . 1 1 60 60 TYR CA C 60 59.463 59.463 58.936 0.527 19811 5334 1 15 . 1 1 60 60 TYR CB C 60 40.288 40.288 39.240 1.048 19811 5335 1 15 . 1 1 60 60 TYR H H 60 7.448 7.448 7.517 -0.069 19811 5336 1 15 . 1 1 61 61 GLY N N 61 109.141 109.141 107.841 1.300 19811 5337 1 15 . 1 1 61 61 GLY CA C 61 46.380 46.380 44.938 1.442 19811 5338 1 15 . 1 1 61 61 GLY H H 61 8.067 8.067 7.944 0.123 19811 5339 1 15 . 1 1 62 62 ILE N N 62 120.506 120.506 121.609 -1.103 19811 5340 1 15 . 1 1 62 62 ILE HA H 62 3.614 3.614 4.377 -0.763 19811 5341 1 15 . 1 1 62 62 ILE CA C 62 61.392 61.392 60.637 0.755 19811 5342 1 15 . 1 1 62 62 ILE CB C 62 36.445 36.445 38.875 -2.430 19811 5343 1 15 . 1 1 62 62 ILE H H 62 7.416 7.416 7.682 -0.266 19811 5344 1 15 . 1 1 63 63 THR N N 63 117.984 117.984 118.903 -0.919 19811 5345 1 15 . 1 1 63 63 THR HA H 63 4.528 4.528 4.903 -0.375 19811 5346 1 15 . 1 1 63 63 THR CA C 63 58.942 58.942 58.613 0.329 19811 5347 1 15 . 1 1 63 63 THR CB C 63 68.304 68.304 69.508 -1.204 19811 5348 1 15 . 1 1 63 63 THR H H 63 7.408 7.408 8.328 -0.920 19811 5349 1 15 . 1 1 64 64 PRO HA H 64 4.237 4.237 4.345 -0.108 19811 5350 1 15 . 1 1 64 64 PRO CA C 64 64.568 64.568 63.218 1.350 19811 5351 1 15 . 1 1 64 64 PRO CB C 64 31.861 31.861 31.752 0.110 19811 5352 1 15 . 1 1 65 65 GLY N N 65 112.539 112.539 112.415 0.124 19811 5353 1 15 . 1 1 65 65 GLY CA C 65 44.719 44.719 44.976 -0.257 19811 5354 1 15 . 1 1 65 65 GLY H H 65 9.286 9.286 8.267 1.019 19811 5355 1 15 . 1 1 66 66 SER N N 66 116.523 116.523 115.585 0.938 19811 5356 1 15 . 1 1 66 66 SER HA H 66 4.535 4.535 4.874 -0.339 19811 5357 1 15 . 1 1 66 66 SER CA C 66 60.415 60.415 56.557 3.858 19811 5358 1 15 . 1 1 66 66 SER CB C 66 64.604 64.604 64.831 -0.227 19811 5359 1 15 . 1 1 66 66 SER H H 66 7.822 7.822 8.013 -0.191 19811 5360 1 15 . 1 1 67 67 THR N N 67 118.238 118.238 115.933 2.305 19811 5361 1 15 . 1 1 67 67 THR HA H 67 5.342 5.342 4.479 0.863 19811 5362 1 15 . 1 1 67 67 THR CA C 67 62.059 62.059 61.660 0.399 19811 5363 1 15 . 1 1 67 67 THR CB C 67 70.858 70.858 69.206 1.652 19811 5364 1 15 . 1 1 67 67 THR H H 67 8.715 8.715 8.262 0.453 19811 5365 1 15 . 1 1 68 68 ILE N N 68 126.891 126.891 126.107 0.784 19811 5366 1 15 . 1 1 68 68 ILE HA H 68 4.761 4.761 4.342 0.419 19811 5367 1 15 . 1 1 68 68 ILE CA C 68 59.434 59.434 59.094 0.340 19811 5368 1 15 . 1 1 68 68 ILE CB C 68 40.783 40.783 39.390 1.393 19811 5369 1 15 . 1 1 68 68 ILE H H 68 9.097 9.097 8.098 0.999 19811 5370 1 15 . 1 1 69 69 THR N N 69 120.333 120.333 120.739 -0.406 19811 5371 1 15 . 1 1 69 69 THR HA H 69 4.566 4.566 4.659 -0.093 19811 5372 1 15 . 1 1 69 69 THR CA C 69 63.014 63.014 61.504 1.510 19811 5373 1 15 . 1 1 69 69 THR CB C 69 70.043 70.043 69.257 0.786 19811 5374 1 15 . 1 1 69 69 THR H H 69 8.903 8.903 8.490 0.413 19811 5375 1 15 . 1 1 70 70 LEU N N 70 126.490 126.490 127.948 -1.458 19811 5376 1 15 . 1 1 70 70 LEU HA H 70 4.984 4.984 4.636 0.348 19811 5377 1 15 . 1 1 70 70 LEU CA C 70 54.088 54.088 54.056 0.032 19811 5378 1 15 . 1 1 70 70 LEU CB C 70 44.772 44.772 44.632 0.140 19811 5379 1 15 . 1 1 70 70 LEU H H 70 8.191 8.191 8.143 0.048 19811 5380 1 15 . 1 1 71 71 GLU N N 71 125.912 125.912 124.417 1.495 19811 5381 1 15 . 1 1 71 71 GLU HA H 71 4.505 4.505 4.772 -0.267 19811 5382 1 15 . 1 1 71 71 GLU CA C 71 54.828 54.828 55.242 -0.414 19811 5383 1 15 . 1 1 71 71 GLU CB C 71 33.391 33.391 33.132 0.259 19811 5384 1 15 . 1 1 71 71 GLU H H 71 9.089 9.089 8.163 0.926 19811 5385 1 15 . 1 1 72 72 ILE N N 72 123.229 123.229 122.553 0.676 19811 5386 1 15 . 1 1 72 72 ILE HA H 72 4.570 4.570 4.340 0.230 19811 5387 1 15 . 1 1 72 72 ILE CA C 72 59.629 59.629 60.060 -0.431 19811 5388 1 15 . 1 1 72 72 ILE CB C 72 38.376 38.376 40.360 -1.984 19811 5389 1 15 . 1 1 72 72 ILE H H 72 8.526 8.526 8.453 0.073 19811 5390 1 15 . 1 1 73 73 LYS N N 73 129.392 129.392 125.713 3.679 19811 5391 1 15 . 1 1 73 73 LYS HA H 73 4.178 4.178 4.525 -0.347 19811 5392 1 15 . 1 1 73 73 LYS CA C 73 56.564 56.564 55.727 0.837 19811 5393 1 15 . 1 1 73 73 LYS CB C 73 33.320 33.320 33.347 -0.027 19811 5394 1 15 . 1 1 73 73 LYS H H 73 8.837 8.837 8.547 0.290 19811 5395 1 15 . 1 1 74 74 LYS N N 74 123.476 123.476 123.501 -0.025 19811 5396 1 15 . 1 1 74 74 LYS HA H 74 4.255 4.255 4.481 -0.226 19811 5397 1 15 . 1 1 74 74 LYS CA C 74 56.000 56.000 55.738 0.262 19811 5398 1 15 . 1 1 74 74 LYS CB C 74 33.223 33.223 33.777 -0.554 19811 5399 1 15 . 1 1 74 74 LYS H H 74 8.266 8.266 8.496 -0.230 19811 5400 1 15 . 1 1 75 75 LYS N N 75 124.450 124.450 121.959 2.491 19811 5401 1 15 . 1 1 75 75 LYS HA H 75 4.245 4.245 4.552 -0.307 19811 5402 1 15 . 1 1 75 75 LYS CA C 75 56.677 56.677 56.197 0.480 19811 5403 1 15 . 1 1 75 75 LYS CB C 75 32.876 32.876 33.284 -0.408 19811 5404 1 15 . 1 1 75 75 LYS H H 75 8.572 8.572 8.714 -0.142 19811 5405 1 15 . 1 1 76 76 GLY N N 76 110.666 110.666 109.769 0.897 19811 5406 1 15 . 1 1 76 76 GLY CA C 76 45.330 45.330 44.309 1.021 19811 5407 1 15 . 1 1 76 76 GLY H H 76 8.549 8.549 8.540 0.009 19811 5408 1 15 . 1 1 77 77 GLY N N 77 108.740 108.740 107.979 0.761 19811 5409 1 15 . 1 1 77 77 GLY CA C 77 45.300 45.300 45.770 -0.470 19811 5410 1 15 . 1 1 77 77 GLY H H 77 8.332 8.332 8.980 -0.648 19811 5411 1 15 . 1 1 78 78 LEU N N 78 121.371 121.371 121.006 0.365 19811 5412 1 15 . 1 1 78 78 LEU HA H 78 4.263 4.263 4.792 -0.529 19811 5413 1 15 . 1 1 78 78 LEU CA C 78 55.127 55.127 55.436 -0.309 19811 5414 1 15 . 1 1 78 78 LEU CB C 78 42.290 42.290 43.295 -1.005 19811 5415 1 15 . 1 1 78 78 LEU H H 78 8.165 8.165 8.181 -0.016 19811 5416 1 16 . 1 1 2 2 ASP N N 2 121.707 121.707 117.176 4.531 19811 5417 1 16 . 1 1 2 2 ASP HA H 2 4.798 4.798 4.354 0.444 19811 5418 1 16 . 1 1 2 2 ASP CA C 2 54.249 54.249 55.830 -1.581 19811 5419 1 16 . 1 1 2 2 ASP CB C 2 42.163 42.163 40.166 1.997 19811 5420 1 16 . 1 1 2 2 ASP H H 2 8.479 8.479 8.642 -0.163 19811 5421 1 16 . 1 1 3 3 THR N N 3 109.876 109.876 108.228 1.648 19811 5422 1 16 . 1 1 3 3 THR HA H 3 5.324 5.324 5.330 -0.006 19811 5423 1 16 . 1 1 3 3 THR CA C 3 59.553 59.553 60.114 -0.561 19811 5424 1 16 . 1 1 3 3 THR CB C 3 72.235 72.235 70.744 1.491 19811 5425 1 16 . 1 1 3 3 THR H H 3 7.857 7.857 7.367 0.490 19811 5426 1 16 . 1 1 4 4 ILE N N 4 115.792 115.792 117.425 -1.633 19811 5427 1 16 . 1 1 4 4 ILE HA H 4 4.464 4.464 4.650 -0.186 19811 5428 1 16 . 1 1 4 4 ILE CA C 4 59.314 59.314 59.174 0.140 19811 5429 1 16 . 1 1 4 4 ILE CB C 4 41.940 41.940 41.232 0.708 19811 5430 1 16 . 1 1 4 4 ILE H H 4 8.665 8.665 9.009 -0.344 19811 5431 1 16 . 1 1 5 5 ASN N N 5 119.913 119.913 120.127 -0.214 19811 5432 1 16 . 1 1 5 5 ASN HA H 5 5.438 5.438 5.856 -0.418 19811 5433 1 16 . 1 1 5 5 ASN CA C 5 51.594 51.594 51.534 0.060 19811 5434 1 16 . 1 1 5 5 ASN CB C 5 41.031 41.031 41.553 -0.522 19811 5435 1 16 . 1 1 5 5 ASN H H 5 8.457 8.457 8.053 0.404 19811 5436 1 16 . 1 1 6 6 ILE N N 6 122.674 122.674 122.382 0.292 19811 5437 1 16 . 1 1 6 6 ILE HA H 6 5.035 5.035 4.444 0.591 19811 5438 1 16 . 1 1 6 6 ILE CA C 6 57.857 57.857 60.892 -3.034 19811 5439 1 16 . 1 1 6 6 ILE CB C 6 38.947 38.947 40.827 -1.880 19811 5440 1 16 . 1 1 6 6 ILE H H 6 9.426 9.426 8.229 1.197 19811 5441 1 16 . 1 1 7 7 THR N N 7 124.398 124.398 124.148 0.250 19811 5442 1 16 . 1 1 7 7 THR HA H 7 4.512 4.512 4.956 -0.444 19811 5443 1 16 . 1 1 7 7 THR CA C 7 62.639 62.639 61.524 1.115 19811 5444 1 16 . 1 1 7 7 THR CB C 7 69.074 69.074 68.471 0.603 19811 5445 1 16 . 1 1 7 7 THR H H 7 9.152 9.152 8.653 0.499 19811 5446 1 16 . 1 1 8 8 LEU N N 8 127.909 127.909 124.873 3.036 19811 5447 1 16 . 1 1 8 8 LEU HA H 8 4.601 4.601 5.327 -0.726 19811 5448 1 16 . 1 1 8 8 LEU CA C 8 53.537 53.537 51.794 1.743 19811 5449 1 16 . 1 1 8 8 LEU CB C 8 39.928 39.928 41.095 -1.167 19811 5450 1 16 . 1 1 8 8 LEU H H 8 8.992 8.992 7.730 1.262 19811 5451 1 16 . 1 1 9 9 PRO HA H 9 4.419 4.419 4.234 0.185 19811 5452 1 16 . 1 1 9 9 PRO CA C 9 65.184 65.184 65.469 -0.285 19811 5453 1 16 . 1 1 9 9 PRO CB C 9 31.999 31.999 31.496 0.503 19811 5454 1 16 . 1 1 10 10 ASP N N 10 113.521 113.521 116.396 -2.875 19811 5455 1 16 . 1 1 10 10 ASP HA H 10 4.490 4.490 4.529 -0.039 19811 5456 1 16 . 1 1 10 10 ASP CA C 10 53.129 53.129 54.692 -1.563 19811 5457 1 16 . 1 1 10 10 ASP CB C 10 39.986 39.986 40.673 -0.687 19811 5458 1 16 . 1 1 10 10 ASP H H 10 7.678 7.678 8.126 -0.448 19811 5459 1 16 . 1 1 11 11 GLY N N 11 108.658 108.658 107.265 1.393 19811 5460 1 16 . 1 1 11 11 GLY CA C 11 45.218 45.218 44.870 0.348 19811 5461 1 16 . 1 1 11 11 GLY H H 11 8.376 8.376 7.892 0.484 19811 5462 1 16 . 1 1 12 12 LYS N N 12 121.449 121.449 120.907 0.542 19811 5463 1 16 . 1 1 12 12 LYS HA H 12 4.331 4.331 4.560 -0.229 19811 5464 1 16 . 1 1 12 12 LYS CA C 12 56.660 56.660 55.812 0.848 19811 5465 1 16 . 1 1 12 12 LYS CB C 12 33.199 33.199 33.279 -0.080 19811 5466 1 16 . 1 1 12 12 LYS H H 12 7.766 7.766 7.990 -0.224 19811 5467 1 16 . 1 1 13 13 THR N N 13 113.928 113.928 111.322 2.606 19811 5468 1 16 . 1 1 13 13 THR HA H 13 5.193 5.193 5.576 -0.383 19811 5469 1 16 . 1 1 13 13 THR CA C 13 61.734 61.734 60.258 1.476 19811 5470 1 16 . 1 1 13 13 THR CB C 13 71.481 71.481 71.431 0.050 19811 5471 1 16 . 1 1 13 13 THR H H 13 8.248 8.248 8.141 0.107 19811 5472 1 16 . 1 1 14 14 LEU N N 14 128.446 128.446 122.301 6.145 19811 5473 1 16 . 1 1 14 14 LEU HA H 14 4.739 4.739 4.762 -0.023 19811 5474 1 16 . 1 1 14 14 LEU CA C 14 53.403 53.403 54.337 -0.934 19811 5475 1 16 . 1 1 14 14 LEU CB C 14 45.480 45.480 46.286 -0.806 19811 5476 1 16 . 1 1 14 14 LEU H H 14 9.270 9.270 8.231 1.039 19811 5477 1 16 . 1 1 15 15 THR N N 15 123.048 123.048 118.766 4.282 19811 5478 1 16 . 1 1 15 15 THR HA H 15 5.191 5.191 5.167 0.024 19811 5479 1 16 . 1 1 15 15 THR CA C 15 61.986 61.986 61.800 0.186 19811 5480 1 16 . 1 1 15 15 THR CB C 15 70.339 70.339 69.442 0.897 19811 5481 1 16 . 1 1 15 15 THR H H 15 8.759 8.759 8.254 0.505 19811 5482 1 16 . 1 1 16 16 LEU N N 16 125.874 125.874 127.999 -2.125 19811 5483 1 16 . 1 1 16 16 LEU HA H 16 4.770 4.770 4.837 -0.067 19811 5484 1 16 . 1 1 16 16 LEU CA C 16 53.222 53.222 53.596 -0.374 19811 5485 1 16 . 1 1 16 16 LEU CB C 16 45.322 45.322 46.675 -1.353 19811 5486 1 16 . 1 1 16 16 LEU H H 16 8.551 8.551 8.674 -0.123 19811 5487 1 16 . 1 1 17 17 THR N N 17 117.080 117.080 117.636 -0.556 19811 5488 1 16 . 1 1 17 17 THR HA H 17 4.629 4.629 5.289 -0.660 19811 5489 1 16 . 1 1 17 17 THR CA C 17 61.950 61.950 60.640 1.310 19811 5490 1 16 . 1 1 17 17 THR CB C 17 69.202 69.202 69.233 -0.031 19811 5491 1 16 . 1 1 17 17 THR H H 17 8.342 8.342 8.346 -0.004 19811 5492 1 16 . 1 1 18 18 VAL N N 18 116.699 116.699 120.876 -4.177 19811 5493 1 16 . 1 1 18 18 VAL HA H 18 3.910 3.910 4.119 -0.209 19811 5494 1 16 . 1 1 18 18 VAL CA C 18 58.565 58.565 59.093 -0.528 19811 5495 1 16 . 1 1 18 18 VAL CB C 18 35.910 35.910 34.178 1.732 19811 5496 1 16 . 1 1 18 18 VAL H H 18 8.131 8.131 7.795 0.336 19811 5497 1 16 . 1 1 19 19 THR N N 19 110.389 110.389 108.685 1.704 19811 5498 1 16 . 1 1 19 19 THR HA H 19 4.807 4.807 4.908 -0.101 19811 5499 1 16 . 1 1 19 19 THR CA C 19 58.916 58.916 58.454 0.462 19811 5500 1 16 . 1 1 19 19 THR CB C 19 68.674 68.674 70.499 -1.824 19811 5501 1 16 . 1 1 19 19 THR H H 19 6.219 6.219 7.699 -1.480 19811 5502 1 16 . 1 1 20 20 PRO HA H 20 4.382 4.382 4.401 -0.019 19811 5503 1 16 . 1 1 20 20 PRO CA C 20 65.110 65.110 64.594 0.516 19811 5504 1 16 . 1 1 20 20 PRO CB C 20 31.996 31.996 31.987 0.009 19811 5505 1 16 . 1 1 21 21 GLU N N 21 113.087 113.087 115.969 -2.882 19811 5506 1 16 . 1 1 21 21 GLU HA H 21 4.350 4.350 4.345 0.005 19811 5507 1 16 . 1 1 21 21 GLU CA C 21 56.513 56.513 56.013 0.500 19811 5508 1 16 . 1 1 21 21 GLU CB C 21 29.153 29.153 29.780 -0.627 19811 5509 1 16 . 1 1 21 21 GLU H H 21 7.960 7.960 8.262 -0.302 19811 5510 1 16 . 1 1 22 22 PHE N N 22 123.828 123.828 119.914 3.914 19811 5511 1 16 . 1 1 22 22 PHE HA H 22 4.518 4.518 4.737 -0.219 19811 5512 1 16 . 1 1 22 22 PHE CA C 22 58.778 58.778 58.221 0.557 19811 5513 1 16 . 1 1 22 22 PHE CB C 22 40.224 40.224 40.274 -0.050 19811 5514 1 16 . 1 1 22 22 PHE H H 22 7.724 7.724 7.729 -0.005 19811 5515 1 16 . 1 1 23 23 THR N N 23 114.031 114.031 112.997 1.034 19811 5516 1 16 . 1 1 23 23 THR HA H 23 4.791 4.791 4.444 0.347 19811 5517 1 16 . 1 1 23 23 THR CA C 23 60.340 60.340 60.551 -0.211 19811 5518 1 16 . 1 1 23 23 THR CB C 23 71.791 71.791 71.103 0.688 19811 5519 1 16 . 1 1 23 23 THR H H 23 8.504 8.504 7.862 0.642 19811 5520 1 16 . 1 1 24 24 VAL N N 24 122.541 122.541 121.049 1.492 19811 5521 1 16 . 1 1 24 24 VAL HA H 24 3.427 3.427 3.718 -0.291 19811 5522 1 16 . 1 1 24 24 VAL CA C 24 66.745 66.745 66.881 -0.136 19811 5523 1 16 . 1 1 24 24 VAL CB C 24 30.735 30.735 31.292 -0.557 19811 5524 1 16 . 1 1 24 24 VAL H H 24 8.918 8.918 8.299 0.619 19811 5525 1 16 . 1 1 25 25 LYS N N 25 121.079 121.079 119.317 1.762 19811 5526 1 16 . 1 1 25 25 LYS HA H 25 3.912 3.912 4.008 -0.096 19811 5527 1 16 . 1 1 25 25 LYS CA C 25 59.950 59.950 59.660 0.291 19811 5528 1 16 . 1 1 25 25 LYS CB C 25 32.824 32.824 32.126 0.698 19811 5529 1 16 . 1 1 25 25 LYS H H 25 8.622 8.622 8.300 0.322 19811 5530 1 16 . 1 1 26 26 GLU N N 26 118.646 118.646 120.828 -2.182 19811 5531 1 16 . 1 1 26 26 GLU HA H 26 3.859 3.859 4.372 -0.513 19811 5532 1 16 . 1 1 26 26 GLU CA C 26 59.012 59.012 59.119 -0.107 19811 5533 1 16 . 1 1 26 26 GLU CB C 26 29.344 29.344 29.552 -0.208 19811 5534 1 16 . 1 1 26 26 GLU H H 26 7.734 7.734 7.491 0.243 19811 5535 1 16 . 1 1 27 27 LEU N N 27 122.155 122.155 120.583 1.572 19811 5536 1 16 . 1 1 27 27 LEU HA H 27 4.136 4.136 4.286 -0.150 19811 5537 1 16 . 1 1 27 27 LEU CA C 27 58.226 58.226 57.801 0.425 19811 5538 1 16 . 1 1 27 27 LEU CB C 27 41.986 41.986 42.234 -0.248 19811 5539 1 16 . 1 1 27 27 LEU H H 27 8.000 8.000 8.374 -0.374 19811 5540 1 16 . 1 1 28 28 ALA N N 28 121.362 121.362 120.239 1.123 19811 5541 1 16 . 1 1 28 28 ALA HA H 28 3.837 3.837 4.070 -0.233 19811 5542 1 16 . 1 1 28 28 ALA CA C 28 55.872 55.872 55.047 0.825 19811 5543 1 16 . 1 1 28 28 ALA CB C 28 17.902 17.902 18.245 -0.344 19811 5544 1 16 . 1 1 28 28 ALA H H 28 8.899 8.899 7.841 1.058 19811 5545 1 16 . 1 1 29 29 GLU N N 29 116.582 116.582 118.014 -1.432 19811 5546 1 16 . 1 1 29 29 GLU HA H 29 3.814 3.814 4.043 -0.229 19811 5547 1 16 . 1 1 29 29 GLU CA C 29 59.849 59.849 58.847 1.002 19811 5548 1 16 . 1 1 29 29 GLU CB C 29 29.185 29.185 29.155 0.030 19811 5549 1 16 . 1 1 29 29 GLU H H 29 8.437 8.437 7.949 0.488 19811 5550 1 16 . 1 1 30 30 GLU N N 30 121.430 121.430 120.307 1.123 19811 5551 1 16 . 1 1 30 30 GLU HA H 30 4.293 4.293 4.176 0.117 19811 5552 1 16 . 1 1 30 30 GLU CA C 30 58.829 58.829 58.961 -0.132 19811 5553 1 16 . 1 1 30 30 GLU CB C 30 28.720 28.720 29.961 -1.241 19811 5554 1 16 . 1 1 30 30 GLU H H 30 7.877 7.877 7.719 0.158 19811 5555 1 16 . 1 1 31 31 ILE N N 31 119.644 119.644 120.239 -0.595 19811 5556 1 16 . 1 1 31 31 ILE HA H 31 3.289 3.289 3.857 -0.568 19811 5557 1 16 . 1 1 31 31 ILE CA C 31 65.937 65.937 63.336 2.601 19811 5558 1 16 . 1 1 31 31 ILE CB C 31 38.338 38.338 38.187 0.151 19811 5559 1 16 . 1 1 31 31 ILE H H 31 8.438 8.438 7.530 0.908 19811 5560 1 16 . 1 1 32 32 ALA N N 32 120.190 120.190 121.585 -1.395 19811 5561 1 16 . 1 1 32 32 ALA HA H 32 3.637 3.637 4.137 -0.500 19811 5562 1 16 . 1 1 32 32 ALA CA C 32 56.071 56.071 54.612 1.459 19811 5563 1 16 . 1 1 32 32 ALA CB C 32 17.287 17.287 18.255 -0.967 19811 5564 1 16 . 1 1 32 32 ALA H H 32 8.609 8.609 7.861 0.748 19811 5565 1 16 . 1 1 33 33 ARG N N 33 116.846 116.846 117.625 -0.779 19811 5566 1 16 . 1 1 33 33 ARG HA H 33 4.085 4.085 4.044 0.041 19811 5567 1 16 . 1 1 33 33 ARG CA C 33 59.367 59.367 59.051 0.316 19811 5568 1 16 . 1 1 33 33 ARG CB C 33 30.575 30.575 30.409 0.166 19811 5569 1 16 . 1 1 33 33 ARG H H 33 7.817 7.817 7.674 0.143 19811 5570 1 16 . 1 1 34 34 ARG N N 34 118.212 118.212 117.121 1.091 19811 5571 1 16 . 1 1 34 34 ARG HA H 34 4.078 4.078 4.232 -0.154 19811 5572 1 16 . 1 1 34 34 ARG CA C 34 58.321 58.321 57.883 0.438 19811 5573 1 16 . 1 1 34 34 ARG CB C 34 29.771 29.771 30.129 -0.358 19811 5574 1 16 . 1 1 34 34 ARG H H 34 7.922 7.922 7.959 -0.037 19811 5575 1 16 . 1 1 35 35 LEU N N 35 115.523 115.523 117.409 -1.886 19811 5576 1 16 . 1 1 35 35 LEU HA H 35 4.426 4.426 4.453 -0.027 19811 5577 1 16 . 1 1 35 35 LEU CA C 35 54.601 54.601 54.754 -0.152 19811 5578 1 16 . 1 1 35 35 LEU CB C 35 42.895 42.895 42.794 0.101 19811 5579 1 16 . 1 1 35 35 LEU H H 35 7.999 7.999 7.480 0.519 19811 5580 1 16 . 1 1 36 36 GLY N N 36 110.277 110.277 107.926 2.351 19811 5581 1 16 . 1 1 36 36 GLY CA C 36 46.906 46.906 45.234 1.672 19811 5582 1 16 . 1 1 36 36 GLY H H 36 7.864 7.864 8.037 -0.173 19811 5583 1 16 . 1 1 37 37 LEU N N 37 119.310 119.310 117.857 1.453 19811 5584 1 16 . 1 1 37 37 LEU HA H 37 4.691 4.691 4.680 0.011 19811 5585 1 16 . 1 1 37 37 LEU CA C 37 52.642 52.642 53.341 -0.699 19811 5586 1 16 . 1 1 37 37 LEU CB C 37 45.355 45.355 45.332 0.023 19811 5587 1 16 . 1 1 37 37 LEU H H 37 8.025 8.025 7.565 0.460 19811 5588 1 16 . 1 1 38 38 SER N N 38 115.906 115.906 112.940 2.966 19811 5589 1 16 . 1 1 38 38 SER HA H 38 4.955 4.955 4.930 0.025 19811 5590 1 16 . 1 1 38 38 SER CA C 38 55.376 55.376 55.228 0.148 19811 5591 1 16 . 1 1 38 38 SER CB C 38 63.732 63.732 63.930 -0.198 19811 5592 1 16 . 1 1 38 38 SER H H 38 8.662 8.662 8.219 0.443 19811 5593 1 16 . 1 1 39 39 PRO HA H 39 3.976 3.976 4.256 -0.280 19811 5594 1 16 . 1 1 39 39 PRO CA C 39 65.434 65.434 64.362 1.071 19811 5595 1 16 . 1 1 39 39 PRO CB C 39 31.527 31.527 32.026 -0.499 19811 5596 1 16 . 1 1 40 40 GLU N N 40 115.609 115.609 115.369 0.240 19811 5597 1 16 . 1 1 40 40 GLU HA H 40 4.115 4.115 4.214 -0.099 19811 5598 1 16 . 1 1 40 40 GLU CA C 40 57.861 57.861 57.347 0.514 19811 5599 1 16 . 1 1 40 40 GLU CB C 40 28.842 28.842 29.359 -0.517 19811 5600 1 16 . 1 1 40 40 GLU H H 40 8.455 8.455 8.525 -0.070 19811 5601 1 16 . 1 1 41 41 ASP N N 41 118.239 118.239 118.437 -0.198 19811 5602 1 16 . 1 1 41 41 ASP HA H 41 4.711 4.711 4.751 -0.040 19811 5603 1 16 . 1 1 41 41 ASP CA C 41 54.862 54.862 55.386 -0.524 19811 5604 1 16 . 1 1 41 41 ASP CB C 41 41.920 41.920 42.757 -0.837 19811 5605 1 16 . 1 1 41 41 ASP H H 41 7.814 7.814 7.875 -0.061 19811 5606 1 16 . 1 1 42 42 ILE N N 42 116.579 116.579 119.441 -2.862 19811 5607 1 16 . 1 1 42 42 ILE HA H 42 4.305 4.305 4.131 0.174 19811 5608 1 16 . 1 1 42 42 ILE CA C 42 60.232 60.232 61.306 -1.074 19811 5609 1 16 . 1 1 42 42 ILE CB C 42 39.070 39.070 38.676 0.394 19811 5610 1 16 . 1 1 42 42 ILE H H 42 7.069 7.069 7.293 -0.224 19811 5611 1 16 . 1 1 43 43 LYS N N 43 128.374 128.374 125.494 2.880 19811 5612 1 16 . 1 1 43 43 LYS HA H 43 4.489 4.489 4.670 -0.181 19811 5613 1 16 . 1 1 43 43 LYS CA C 43 54.924 54.924 54.927 -0.003 19811 5614 1 16 . 1 1 43 43 LYS CB C 43 35.322 35.322 36.556 -1.234 19811 5615 1 16 . 1 1 43 43 LYS H H 43 8.709 8.709 8.038 0.671 19811 5616 1 16 . 1 1 44 44 LEU N N 44 126.700 126.700 125.914 0.786 19811 5617 1 16 . 1 1 44 44 LEU HA H 44 5.368 5.368 4.643 0.725 19811 5618 1 16 . 1 1 44 44 LEU CA C 44 52.839 52.839 54.495 -1.656 19811 5619 1 16 . 1 1 44 44 LEU CB C 44 44.529 44.529 43.534 0.995 19811 5620 1 16 . 1 1 44 44 LEU H H 44 8.929 8.929 8.950 -0.021 19811 5621 1 16 . 1 1 45 45 THR N N 45 112.945 112.945 120.470 -7.525 19811 5622 1 16 . 1 1 45 45 THR HA H 45 5.282 5.282 4.885 0.398 19811 5623 1 16 . 1 1 45 45 THR CA C 45 59.240 59.240 61.643 -2.403 19811 5624 1 16 . 1 1 45 45 THR CB C 45 72.146 72.146 69.603 2.543 19811 5625 1 16 . 1 1 45 45 THR H H 45 8.846 8.846 8.497 0.349 19811 5626 1 16 . 1 1 46 46 HIS N N 46 120.347 120.347 125.622 -5.275 19811 5627 1 16 . 1 1 46 46 HIS HA H 46 4.956 4.956 4.897 0.059 19811 5628 1 16 . 1 1 46 46 HIS CA C 46 55.757 55.757 56.053 -0.296 19811 5629 1 16 . 1 1 46 46 HIS CB C 46 34.673 34.673 33.460 1.213 19811 5630 1 16 . 1 1 46 46 HIS H H 46 8.620 8.620 9.074 -0.454 19811 5631 1 16 . 1 1 47 47 ASN N N 47 128.187 128.187 124.527 3.660 19811 5632 1 16 . 1 1 47 47 ASN HA H 47 4.178 4.178 4.258 -0.080 19811 5633 1 16 . 1 1 47 47 ASN CA C 47 53.481 53.481 53.422 0.059 19811 5634 1 16 . 1 1 47 47 ASN CB C 47 36.888 36.888 36.560 0.328 19811 5635 1 16 . 1 1 47 47 ASN H H 47 9.136 9.136 8.906 0.230 19811 5636 1 16 . 1 1 48 48 GLY N N 48 103.028 103.028 104.742 -1.714 19811 5637 1 16 . 1 1 48 48 GLY CA C 48 45.279 45.279 45.073 0.206 19811 5638 1 16 . 1 1 48 48 GLY H H 48 8.633 8.633 8.656 -0.023 19811 5639 1 16 . 1 1 49 49 LYS N N 49 121.730 121.730 122.060 -0.330 19811 5640 1 16 . 1 1 49 49 LYS HA H 49 4.572 4.572 4.717 -0.145 19811 5641 1 16 . 1 1 49 49 LYS CA C 49 54.677 54.677 55.004 -0.327 19811 5642 1 16 . 1 1 49 49 LYS CB C 49 33.823 33.823 34.395 -0.572 19811 5643 1 16 . 1 1 49 49 LYS H H 49 7.790 7.790 8.183 -0.393 19811 5644 1 16 . 1 1 50 50 THR N N 50 121.190 121.190 113.630 7.560 19811 5645 1 16 . 1 1 50 50 THR HA H 50 4.254 4.254 4.901 -0.647 19811 5646 1 16 . 1 1 50 50 THR CA C 50 63.304 63.304 60.963 2.341 19811 5647 1 16 . 1 1 50 50 THR CB C 50 68.732 68.732 69.890 -1.158 19811 5648 1 16 . 1 1 50 50 THR H H 50 8.735 8.735 8.343 0.392 19811 5649 1 16 . 1 1 51 51 LEU N N 51 127.406 127.406 123.521 3.885 19811 5650 1 16 . 1 1 51 51 LEU HA H 51 3.973 3.973 4.089 -0.116 19811 5651 1 16 . 1 1 51 51 LEU CA C 51 54.125 54.125 54.045 0.080 19811 5652 1 16 . 1 1 51 51 LEU CB C 51 41.715 41.715 42.996 -1.282 19811 5653 1 16 . 1 1 51 51 LEU H H 51 8.586 8.586 8.373 0.213 19811 5654 1 16 . 1 1 52 52 ASP N N 52 126.711 126.711 124.497 2.214 19811 5655 1 16 . 1 1 52 52 ASP HA H 52 4.840 4.840 4.890 -0.050 19811 5656 1 16 . 1 1 52 52 ASP CA C 52 51.377 51.377 51.247 0.130 19811 5657 1 16 . 1 1 52 52 ASP CB C 52 43.019 43.019 43.130 -0.111 19811 5658 1 16 . 1 1 52 52 ASP H H 52 8.974 8.974 8.080 0.894 19811 5659 1 16 . 1 1 53 53 PRO HA H 53 4.095 4.095 4.298 -0.203 19811 5660 1 16 . 1 1 53 53 PRO CA C 53 64.240 64.240 64.602 -0.362 19811 5661 1 16 . 1 1 53 53 PRO CB C 53 33.077 33.077 32.158 0.919 19811 5662 1 16 . 1 1 54 54 SER N N 54 110.024 110.024 112.521 -2.497 19811 5663 1 16 . 1 1 54 54 SER HA H 54 4.330 4.330 4.351 -0.021 19811 5664 1 16 . 1 1 54 54 SER CA C 54 59.971 59.971 59.468 0.503 19811 5665 1 16 . 1 1 54 54 SER CB C 54 63.881 63.881 63.569 0.312 19811 5666 1 16 . 1 1 54 54 SER H H 54 8.643 8.643 7.853 0.790 19811 5667 1 16 . 1 1 55 55 LEU N N 55 123.514 123.514 119.703 3.811 19811 5668 1 16 . 1 1 55 55 LEU HA H 55 4.645 4.645 4.600 0.045 19811 5669 1 16 . 1 1 55 55 LEU CA C 55 50.579 50.579 54.334 -3.755 19811 5670 1 16 . 1 1 55 55 LEU CB C 55 43.928 43.928 43.104 0.824 19811 5671 1 16 . 1 1 55 55 LEU H H 55 7.722 7.722 7.416 0.306 19811 5672 1 16 . 1 1 56 56 THR N N 56 107.845 107.845 108.493 -0.648 19811 5673 1 16 . 1 1 56 56 THR HA H 56 4.921 4.921 4.587 0.334 19811 5674 1 16 . 1 1 56 56 THR CA C 56 60.266 60.266 60.398 -0.132 19811 5675 1 16 . 1 1 56 56 THR CB C 56 71.553 71.553 70.654 0.899 19811 5676 1 16 . 1 1 56 56 THR H H 56 8.335 8.335 7.990 0.345 19811 5677 1 16 . 1 1 57 57 LEU N N 57 118.354 118.354 120.075 -1.721 19811 5678 1 16 . 1 1 57 57 LEU HA H 57 3.992 3.992 4.559 -0.567 19811 5679 1 16 . 1 1 57 57 LEU CA C 57 58.658 58.658 57.017 1.641 19811 5680 1 16 . 1 1 57 57 LEU CB C 57 39.774 39.774 42.432 -2.659 19811 5681 1 16 . 1 1 57 57 LEU H H 57 8.117 8.117 8.932 -0.815 19811 5682 1 16 . 1 1 58 58 ALA N N 58 120.467 120.467 119.498 0.969 19811 5683 1 16 . 1 1 58 58 ALA HA H 58 4.075 4.075 4.184 -0.109 19811 5684 1 16 . 1 1 58 58 ALA CA C 58 55.047 55.047 53.845 1.202 19811 5685 1 16 . 1 1 58 58 ALA CB C 58 18.267 18.267 18.402 -0.135 19811 5686 1 16 . 1 1 58 58 ALA H H 58 8.730 8.730 8.359 0.371 19811 5687 1 16 . 1 1 59 59 GLU N N 59 119.907 119.907 117.476 2.431 19811 5688 1 16 . 1 1 59 59 GLU HA H 59 3.935 3.935 4.170 -0.235 19811 5689 1 16 . 1 1 59 59 GLU CA C 59 58.914 58.914 57.538 1.376 19811 5690 1 16 . 1 1 59 59 GLU CB C 59 29.623 29.623 29.799 -0.176 19811 5691 1 16 . 1 1 59 59 GLU H H 59 7.890 7.890 8.402 -0.512 19811 5692 1 16 . 1 1 60 60 TYR N N 60 116.582 116.582 118.518 -1.936 19811 5693 1 16 . 1 1 60 60 TYR HA H 60 4.554 4.554 4.457 0.097 19811 5694 1 16 . 1 1 60 60 TYR CA C 60 59.463 59.463 58.650 0.813 19811 5695 1 16 . 1 1 60 60 TYR CB C 60 40.288 40.288 39.476 0.812 19811 5696 1 16 . 1 1 60 60 TYR H H 60 7.448 7.448 7.500 -0.052 19811 5697 1 16 . 1 1 61 61 GLY N N 61 109.141 109.141 108.225 0.916 19811 5698 1 16 . 1 1 61 61 GLY CA C 61 46.380 46.380 44.975 1.405 19811 5699 1 16 . 1 1 61 61 GLY H H 61 8.067 8.067 7.668 0.399 19811 5700 1 16 . 1 1 62 62 ILE N N 62 120.506 120.506 121.717 -1.211 19811 5701 1 16 . 1 1 62 62 ILE HA H 62 3.614 3.614 4.343 -0.729 19811 5702 1 16 . 1 1 62 62 ILE CA C 62 61.392 61.392 60.952 0.440 19811 5703 1 16 . 1 1 62 62 ILE CB C 62 36.445 36.445 38.879 -2.434 19811 5704 1 16 . 1 1 62 62 ILE H H 62 7.416 7.416 7.480 -0.064 19811 5705 1 16 . 1 1 63 63 THR N N 63 117.984 117.984 118.062 -0.078 19811 5706 1 16 . 1 1 63 63 THR HA H 63 4.528 4.528 4.922 -0.394 19811 5707 1 16 . 1 1 63 63 THR CA C 63 58.942 58.942 58.206 0.736 19811 5708 1 16 . 1 1 63 63 THR CB C 63 68.304 68.304 69.698 -1.394 19811 5709 1 16 . 1 1 63 63 THR H H 63 7.408 7.408 8.234 -0.826 19811 5710 1 16 . 1 1 64 64 PRO HA H 64 4.237 4.237 4.276 -0.039 19811 5711 1 16 . 1 1 64 64 PRO CA C 64 64.568 64.568 62.904 1.664 19811 5712 1 16 . 1 1 64 64 PRO CB C 64 31.861 31.861 31.735 0.126 19811 5713 1 16 . 1 1 65 65 GLY N N 65 112.539 112.539 111.402 1.137 19811 5714 1 16 . 1 1 65 65 GLY CA C 65 44.719 44.719 45.155 -0.436 19811 5715 1 16 . 1 1 65 65 GLY H H 65 9.286 9.286 8.652 0.634 19811 5716 1 16 . 1 1 66 66 SER N N 66 116.523 116.523 116.487 0.036 19811 5717 1 16 . 1 1 66 66 SER HA H 66 4.535 4.535 4.808 -0.273 19811 5718 1 16 . 1 1 66 66 SER CA C 66 60.415 60.415 56.756 3.659 19811 5719 1 16 . 1 1 66 66 SER CB C 66 64.604 64.604 65.482 -0.878 19811 5720 1 16 . 1 1 66 66 SER H H 66 7.822 7.822 7.879 -0.057 19811 5721 1 16 . 1 1 67 67 THR N N 67 118.238 118.238 115.555 2.683 19811 5722 1 16 . 1 1 67 67 THR HA H 67 5.342 5.342 4.403 0.939 19811 5723 1 16 . 1 1 67 67 THR CA C 67 62.059 62.059 61.953 0.106 19811 5724 1 16 . 1 1 67 67 THR CB C 67 70.858 70.858 69.066 1.792 19811 5725 1 16 . 1 1 67 67 THR H H 67 8.715 8.715 8.322 0.393 19811 5726 1 16 . 1 1 68 68 ILE N N 68 126.891 126.891 127.465 -0.574 19811 5727 1 16 . 1 1 68 68 ILE HA H 68 4.761 4.761 4.370 0.391 19811 5728 1 16 . 1 1 68 68 ILE CA C 68 59.434 59.434 60.345 -0.911 19811 5729 1 16 . 1 1 68 68 ILE CB C 68 40.783 40.783 40.325 0.458 19811 5730 1 16 . 1 1 68 68 ILE H H 68 9.097 9.097 8.024 1.073 19811 5731 1 16 . 1 1 69 69 THR N N 69 120.333 120.333 118.024 2.309 19811 5732 1 16 . 1 1 69 69 THR HA H 69 4.566 4.566 4.678 -0.112 19811 5733 1 16 . 1 1 69 69 THR CA C 69 63.014 63.014 61.005 2.009 19811 5734 1 16 . 1 1 69 69 THR CB C 69 70.043 70.043 69.903 0.140 19811 5735 1 16 . 1 1 69 69 THR H H 69 8.903 8.903 8.300 0.603 19811 5736 1 16 . 1 1 70 70 LEU N N 70 126.490 126.490 126.503 -0.013 19811 5737 1 16 . 1 1 70 70 LEU HA H 70 4.984 4.984 4.832 0.152 19811 5738 1 16 . 1 1 70 70 LEU CA C 70 54.088 54.088 54.287 -0.199 19811 5739 1 16 . 1 1 70 70 LEU CB C 70 44.772 44.772 45.783 -1.011 19811 5740 1 16 . 1 1 70 70 LEU H H 70 8.191 8.191 8.364 -0.173 19811 5741 1 16 . 1 1 71 71 GLU N N 71 125.912 125.912 124.513 1.399 19811 5742 1 16 . 1 1 71 71 GLU HA H 71 4.505 4.505 4.807 -0.302 19811 5743 1 16 . 1 1 71 71 GLU CA C 71 54.828 54.828 55.142 -0.315 19811 5744 1 16 . 1 1 71 71 GLU CB C 71 33.391 33.391 33.718 -0.327 19811 5745 1 16 . 1 1 71 71 GLU H H 71 9.089 9.089 8.221 0.868 19811 5746 1 16 . 1 1 72 72 ILE N N 72 123.229 123.229 122.185 1.044 19811 5747 1 16 . 1 1 72 72 ILE HA H 72 4.570 4.570 4.244 0.326 19811 5748 1 16 . 1 1 72 72 ILE CA C 72 59.629 59.629 60.708 -1.079 19811 5749 1 16 . 1 1 72 72 ILE CB C 72 38.376 38.376 39.146 -0.770 19811 5750 1 16 . 1 1 72 72 ILE H H 72 8.526 8.526 8.425 0.101 19811 5751 1 16 . 1 1 73 73 LYS N N 73 129.392 129.392 127.977 1.415 19811 5752 1 16 . 1 1 73 73 LYS HA H 73 4.178 4.178 4.583 -0.405 19811 5753 1 16 . 1 1 73 73 LYS CA C 73 56.564 56.564 55.567 0.997 19811 5754 1 16 . 1 1 73 73 LYS CB C 73 33.320 33.320 33.740 -0.420 19811 5755 1 16 . 1 1 73 73 LYS H H 73 8.837 8.837 8.348 0.489 19811 5756 1 16 . 1 1 74 74 LYS N N 74 123.476 123.476 123.079 0.397 19811 5757 1 16 . 1 1 74 74 LYS HA H 74 4.255 4.255 4.502 -0.247 19811 5758 1 16 . 1 1 74 74 LYS CA C 74 56.000 56.000 55.704 0.296 19811 5759 1 16 . 1 1 74 74 LYS CB C 74 33.223 33.223 34.363 -1.140 19811 5760 1 16 . 1 1 74 74 LYS H H 74 8.266 8.266 8.423 -0.157 19811 5761 1 16 . 1 1 75 75 LYS N N 75 124.450 124.450 121.083 3.367 19811 5762 1 16 . 1 1 75 75 LYS HA H 75 4.245 4.245 4.553 -0.308 19811 5763 1 16 . 1 1 75 75 LYS CA C 75 56.677 56.677 56.255 0.422 19811 5764 1 16 . 1 1 75 75 LYS CB C 75 32.876 32.876 33.511 -0.635 19811 5765 1 16 . 1 1 75 75 LYS H H 75 8.572 8.572 8.604 -0.032 19811 5766 1 16 . 1 1 76 76 GLY N N 76 110.666 110.666 110.013 0.653 19811 5767 1 16 . 1 1 76 76 GLY CA C 76 45.330 45.330 45.336 -0.006 19811 5768 1 16 . 1 1 76 76 GLY H H 76 8.549 8.549 8.659 -0.110 19811 5769 1 16 . 1 1 77 77 GLY N N 77 108.740 108.740 110.262 -1.522 19811 5770 1 16 . 1 1 77 77 GLY CA C 77 45.300 45.300 45.150 0.150 19811 5771 1 16 . 1 1 77 77 GLY H H 77 8.332 8.332 8.411 -0.079 19811 5772 1 16 . 1 1 78 78 LEU N N 78 121.371 121.371 122.254 -0.883 19811 5773 1 16 . 1 1 78 78 LEU HA H 78 4.263 4.263 4.462 -0.199 19811 5774 1 16 . 1 1 78 78 LEU CA C 78 55.127 55.127 55.660 -0.533 19811 5775 1 16 . 1 1 78 78 LEU CB C 78 42.290 42.290 42.931 -0.641 19811 5776 1 16 . 1 1 78 78 LEU H H 78 8.165 8.165 8.554 -0.389 19811 5777 1 17 . 1 1 2 2 ASP N N 2 121.707 121.707 117.593 4.114 19811 5778 1 17 . 1 1 2 2 ASP HA H 2 4.798 4.798 4.722 0.076 19811 5779 1 17 . 1 1 2 2 ASP CA C 2 54.249 54.249 54.003 0.246 19811 5780 1 17 . 1 1 2 2 ASP CB C 2 42.163 42.163 42.240 -0.077 19811 5781 1 17 . 1 1 2 2 ASP H H 2 8.479 8.479 8.642 -0.163 19811 5782 1 17 . 1 1 3 3 THR N N 3 109.876 109.876 111.783 -1.907 19811 5783 1 17 . 1 1 3 3 THR HA H 3 5.324 5.324 5.392 -0.068 19811 5784 1 17 . 1 1 3 3 THR CA C 3 59.553 59.553 60.744 -1.191 19811 5785 1 17 . 1 1 3 3 THR CB C 3 72.235 72.235 71.043 1.192 19811 5786 1 17 . 1 1 3 3 THR H H 3 7.857 7.857 7.497 0.360 19811 5787 1 17 . 1 1 4 4 ILE N N 4 115.792 115.792 117.183 -1.391 19811 5788 1 17 . 1 1 4 4 ILE HA H 4 4.464 4.464 4.652 -0.188 19811 5789 1 17 . 1 1 4 4 ILE CA C 4 59.314 59.314 59.363 -0.049 19811 5790 1 17 . 1 1 4 4 ILE CB C 4 41.940 41.940 41.329 0.611 19811 5791 1 17 . 1 1 4 4 ILE H H 4 8.665 8.665 8.576 0.089 19811 5792 1 17 . 1 1 5 5 ASN N N 5 119.913 119.913 119.436 0.477 19811 5793 1 17 . 1 1 5 5 ASN HA H 5 5.438 5.438 5.673 -0.235 19811 5794 1 17 . 1 1 5 5 ASN CA C 5 51.594 51.594 51.758 -0.164 19811 5795 1 17 . 1 1 5 5 ASN CB C 5 41.031 41.031 41.433 -0.402 19811 5796 1 17 . 1 1 5 5 ASN H H 5 8.457 8.457 8.119 0.338 19811 5797 1 17 . 1 1 6 6 ILE N N 6 122.674 122.674 125.653 -2.979 19811 5798 1 17 . 1 1 6 6 ILE HA H 6 5.035 5.035 4.680 0.355 19811 5799 1 17 . 1 1 6 6 ILE CA C 6 57.857 57.857 60.290 -2.433 19811 5800 1 17 . 1 1 6 6 ILE CB C 6 38.947 38.947 39.349 -0.402 19811 5801 1 17 . 1 1 6 6 ILE H H 6 9.426 9.426 8.587 0.839 19811 5802 1 17 . 1 1 7 7 THR N N 7 124.398 124.398 123.237 1.161 19811 5803 1 17 . 1 1 7 7 THR HA H 7 4.512 4.512 4.631 -0.119 19811 5804 1 17 . 1 1 7 7 THR CA C 7 62.639 62.639 62.017 0.622 19811 5805 1 17 . 1 1 7 7 THR CB C 7 69.074 69.074 69.625 -0.551 19811 5806 1 17 . 1 1 7 7 THR H H 7 9.152 9.152 8.896 0.256 19811 5807 1 17 . 1 1 8 8 LEU N N 8 127.909 127.909 125.302 2.607 19811 5808 1 17 . 1 1 8 8 LEU HA H 8 4.601 4.601 4.766 -0.165 19811 5809 1 17 . 1 1 8 8 LEU CA C 8 53.537 53.537 51.808 1.729 19811 5810 1 17 . 1 1 8 8 LEU CB C 8 39.928 39.928 43.508 -3.580 19811 5811 1 17 . 1 1 8 8 LEU H H 8 8.992 8.992 8.170 0.822 19811 5812 1 17 . 1 1 9 9 PRO HA H 9 4.419 4.419 4.385 0.034 19811 5813 1 17 . 1 1 9 9 PRO CA C 9 65.184 65.184 65.175 0.009 19811 5814 1 17 . 1 1 9 9 PRO CB C 9 31.999 31.999 31.723 0.276 19811 5815 1 17 . 1 1 10 10 ASP N N 10 113.521 113.521 116.756 -3.235 19811 5816 1 17 . 1 1 10 10 ASP HA H 10 4.490 4.490 4.626 -0.136 19811 5817 1 17 . 1 1 10 10 ASP CA C 10 53.129 53.129 53.976 -0.847 19811 5818 1 17 . 1 1 10 10 ASP CB C 10 39.986 39.986 41.373 -1.387 19811 5819 1 17 . 1 1 10 10 ASP H H 10 7.678 7.678 8.080 -0.402 19811 5820 1 17 . 1 1 11 11 GLY N N 11 108.658 108.658 107.321 1.337 19811 5821 1 17 . 1 1 11 11 GLY CA C 11 45.218 45.218 44.964 0.254 19811 5822 1 17 . 1 1 11 11 GLY H H 11 8.376 8.376 7.650 0.726 19811 5823 1 17 . 1 1 12 12 LYS N N 12 121.449 121.449 119.674 1.775 19811 5824 1 17 . 1 1 12 12 LYS HA H 12 4.331 4.331 4.581 -0.250 19811 5825 1 17 . 1 1 12 12 LYS CA C 12 56.660 56.660 55.409 1.251 19811 5826 1 17 . 1 1 12 12 LYS CB C 12 33.199 33.199 33.373 -0.174 19811 5827 1 17 . 1 1 12 12 LYS H H 12 7.766 7.766 7.983 -0.217 19811 5828 1 17 . 1 1 13 13 THR N N 13 113.928 113.928 111.789 2.139 19811 5829 1 17 . 1 1 13 13 THR HA H 13 5.193 5.193 5.338 -0.145 19811 5830 1 17 . 1 1 13 13 THR CA C 13 61.734 61.734 60.015 1.719 19811 5831 1 17 . 1 1 13 13 THR CB C 13 71.481 71.481 71.229 0.252 19811 5832 1 17 . 1 1 13 13 THR H H 13 8.248 8.248 8.196 0.052 19811 5833 1 17 . 1 1 14 14 LEU N N 14 128.446 128.446 122.465 5.981 19811 5834 1 17 . 1 1 14 14 LEU HA H 14 4.739 4.739 4.789 -0.050 19811 5835 1 17 . 1 1 14 14 LEU CA C 14 53.403 53.403 54.366 -0.963 19811 5836 1 17 . 1 1 14 14 LEU CB C 14 45.480 45.480 46.604 -1.124 19811 5837 1 17 . 1 1 14 14 LEU H H 14 9.270 9.270 8.431 0.839 19811 5838 1 17 . 1 1 15 15 THR N N 15 123.048 123.048 118.750 4.298 19811 5839 1 17 . 1 1 15 15 THR HA H 15 5.191 5.191 5.358 -0.167 19811 5840 1 17 . 1 1 15 15 THR CA C 15 61.986 61.986 61.645 0.341 19811 5841 1 17 . 1 1 15 15 THR CB C 15 70.339 70.339 69.664 0.675 19811 5842 1 17 . 1 1 15 15 THR H H 15 8.759 8.759 8.278 0.481 19811 5843 1 17 . 1 1 16 16 LEU N N 16 125.874 125.874 127.627 -1.753 19811 5844 1 17 . 1 1 16 16 LEU HA H 16 4.770 4.770 4.858 -0.088 19811 5845 1 17 . 1 1 16 16 LEU CA C 16 53.222 53.222 53.715 -0.493 19811 5846 1 17 . 1 1 16 16 LEU CB C 16 45.322 45.322 46.569 -1.247 19811 5847 1 17 . 1 1 16 16 LEU H H 16 8.551 8.551 8.187 0.364 19811 5848 1 17 . 1 1 17 17 THR N N 17 117.080 117.080 120.042 -2.962 19811 5849 1 17 . 1 1 17 17 THR HA H 17 4.629 4.629 5.031 -0.402 19811 5850 1 17 . 1 1 17 17 THR CA C 17 61.950 61.950 62.081 -0.131 19811 5851 1 17 . 1 1 17 17 THR CB C 17 69.202 69.202 69.521 -0.319 19811 5852 1 17 . 1 1 17 17 THR H H 17 8.342 8.342 8.479 -0.137 19811 5853 1 17 . 1 1 18 18 VAL N N 18 116.699 116.699 119.821 -3.122 19811 5854 1 17 . 1 1 18 18 VAL HA H 18 3.910 3.910 4.598 -0.688 19811 5855 1 17 . 1 1 18 18 VAL CA C 18 58.565 58.565 59.603 -1.038 19811 5856 1 17 . 1 1 18 18 VAL CB C 18 35.910 35.910 34.635 1.275 19811 5857 1 17 . 1 1 18 18 VAL H H 18 8.131 8.131 8.357 -0.226 19811 5858 1 17 . 1 1 19 19 THR N N 19 110.389 110.389 109.337 1.052 19811 5859 1 17 . 1 1 19 19 THR HA H 19 4.807 4.807 4.637 0.170 19811 5860 1 17 . 1 1 19 19 THR CA C 19 58.916 58.916 58.524 0.392 19811 5861 1 17 . 1 1 19 19 THR CB C 19 68.674 68.674 70.346 -1.672 19811 5862 1 17 . 1 1 19 19 THR H H 19 6.219 6.219 7.596 -1.377 19811 5863 1 17 . 1 1 20 20 PRO HA H 20 4.382 4.382 3.890 0.492 19811 5864 1 17 . 1 1 20 20 PRO CA C 20 65.110 65.110 64.891 0.219 19811 5865 1 17 . 1 1 20 20 PRO CB C 20 31.996 31.996 31.932 0.064 19811 5866 1 17 . 1 1 21 21 GLU N N 21 113.087 113.087 115.728 -2.641 19811 5867 1 17 . 1 1 21 21 GLU HA H 21 4.350 4.350 4.317 0.033 19811 5868 1 17 . 1 1 21 21 GLU CA C 21 56.513 56.513 55.781 0.732 19811 5869 1 17 . 1 1 21 21 GLU CB C 21 29.153 29.153 29.329 -0.176 19811 5870 1 17 . 1 1 21 21 GLU H H 21 7.960 7.960 8.072 -0.112 19811 5871 1 17 . 1 1 22 22 PHE N N 22 123.828 123.828 116.721 7.107 19811 5872 1 17 . 1 1 22 22 PHE HA H 22 4.518 4.518 4.882 -0.364 19811 5873 1 17 . 1 1 22 22 PHE CA C 22 58.778 58.778 54.127 4.651 19811 5874 1 17 . 1 1 22 22 PHE CB C 22 40.224 40.224 39.205 1.019 19811 5875 1 17 . 1 1 22 22 PHE H H 22 7.724 7.724 7.791 -0.067 19811 5876 1 17 . 1 1 23 23 THR N N 23 114.031 114.031 110.233 3.798 19811 5877 1 17 . 1 1 23 23 THR HA H 23 4.791 4.791 4.540 0.251 19811 5878 1 17 . 1 1 23 23 THR CA C 23 60.340 60.340 59.524 0.816 19811 5879 1 17 . 1 1 23 23 THR CB C 23 71.791 71.791 72.573 -0.783 19811 5880 1 17 . 1 1 23 23 THR H H 23 8.504 8.504 7.762 0.742 19811 5881 1 17 . 1 1 24 24 VAL N N 24 122.541 122.541 120.731 1.810 19811 5882 1 17 . 1 1 24 24 VAL HA H 24 3.427 3.427 3.564 -0.137 19811 5883 1 17 . 1 1 24 24 VAL CA C 24 66.745 66.745 66.654 0.091 19811 5884 1 17 . 1 1 24 24 VAL CB C 24 30.735 30.735 31.291 -0.556 19811 5885 1 17 . 1 1 24 24 VAL H H 24 8.918 8.918 8.472 0.446 19811 5886 1 17 . 1 1 25 25 LYS N N 25 121.079 121.079 119.230 1.849 19811 5887 1 17 . 1 1 25 25 LYS HA H 25 3.912 3.912 3.939 -0.027 19811 5888 1 17 . 1 1 25 25 LYS CA C 25 59.950 59.950 59.794 0.157 19811 5889 1 17 . 1 1 25 25 LYS CB C 25 32.824 32.824 32.213 0.611 19811 5890 1 17 . 1 1 25 25 LYS H H 25 8.622 8.622 8.278 0.344 19811 5891 1 17 . 1 1 26 26 GLU N N 26 118.646 118.646 119.855 -1.209 19811 5892 1 17 . 1 1 26 26 GLU HA H 26 3.859 3.859 4.363 -0.504 19811 5893 1 17 . 1 1 26 26 GLU CA C 26 59.012 59.012 58.891 0.121 19811 5894 1 17 . 1 1 26 26 GLU CB C 26 29.344 29.344 29.683 -0.340 19811 5895 1 17 . 1 1 26 26 GLU H H 26 7.734 7.734 7.630 0.104 19811 5896 1 17 . 1 1 27 27 LEU N N 27 122.155 122.155 120.173 1.982 19811 5897 1 17 . 1 1 27 27 LEU HA H 27 4.136 4.136 4.206 -0.070 19811 5898 1 17 . 1 1 27 27 LEU CA C 27 58.226 58.226 57.534 0.692 19811 5899 1 17 . 1 1 27 27 LEU CB C 27 41.986 41.986 42.046 -0.060 19811 5900 1 17 . 1 1 27 27 LEU H H 27 8.000 8.000 7.709 0.291 19811 5901 1 17 . 1 1 28 28 ALA N N 28 121.362 121.362 120.433 0.929 19811 5902 1 17 . 1 1 28 28 ALA HA H 28 3.837 3.837 4.092 -0.255 19811 5903 1 17 . 1 1 28 28 ALA CA C 28 55.872 55.872 54.964 0.908 19811 5904 1 17 . 1 1 28 28 ALA CB C 28 17.902 17.902 18.332 -0.430 19811 5905 1 17 . 1 1 28 28 ALA H H 28 8.899 8.899 7.630 1.269 19811 5906 1 17 . 1 1 29 29 GLU N N 29 116.582 116.582 117.619 -1.037 19811 5907 1 17 . 1 1 29 29 GLU HA H 29 3.814 3.814 4.086 -0.272 19811 5908 1 17 . 1 1 29 29 GLU CA C 29 59.849 59.849 58.685 1.163 19811 5909 1 17 . 1 1 29 29 GLU CB C 29 29.185 29.185 29.323 -0.138 19811 5910 1 17 . 1 1 29 29 GLU H H 29 8.437 8.437 7.869 0.568 19811 5911 1 17 . 1 1 30 30 GLU N N 30 121.430 121.430 120.152 1.278 19811 5912 1 17 . 1 1 30 30 GLU HA H 30 4.293 4.293 4.174 0.119 19811 5913 1 17 . 1 1 30 30 GLU CA C 30 58.829 58.829 58.753 0.076 19811 5914 1 17 . 1 1 30 30 GLU CB C 30 28.720 28.720 29.936 -1.216 19811 5915 1 17 . 1 1 30 30 GLU H H 30 7.877 7.877 7.724 0.153 19811 5916 1 17 . 1 1 31 31 ILE N N 31 119.644 119.644 120.195 -0.551 19811 5917 1 17 . 1 1 31 31 ILE HA H 31 3.289 3.289 3.889 -0.600 19811 5918 1 17 . 1 1 31 31 ILE CA C 31 65.937 65.937 63.188 2.749 19811 5919 1 17 . 1 1 31 31 ILE CB C 31 38.338 38.338 38.227 0.111 19811 5920 1 17 . 1 1 31 31 ILE H H 31 8.438 8.438 7.601 0.837 19811 5921 1 17 . 1 1 32 32 ALA N N 32 120.190 120.190 121.508 -1.318 19811 5922 1 17 . 1 1 32 32 ALA HA H 32 3.637 3.637 4.167 -0.530 19811 5923 1 17 . 1 1 32 32 ALA CA C 32 56.071 56.071 54.639 1.432 19811 5924 1 17 . 1 1 32 32 ALA CB C 32 17.287 17.287 18.234 -0.947 19811 5925 1 17 . 1 1 32 32 ALA H H 32 8.609 8.609 7.628 0.981 19811 5926 1 17 . 1 1 33 33 ARG N N 33 116.846 116.846 117.985 -1.139 19811 5927 1 17 . 1 1 33 33 ARG HA H 33 4.085 4.085 4.052 0.033 19811 5928 1 17 . 1 1 33 33 ARG CA C 33 59.367 59.367 59.084 0.284 19811 5929 1 17 . 1 1 33 33 ARG CB C 33 30.575 30.575 30.461 0.114 19811 5930 1 17 . 1 1 33 33 ARG H H 33 7.817 7.817 7.636 0.181 19811 5931 1 17 . 1 1 34 34 ARG N N 34 118.212 118.212 117.031 1.181 19811 5932 1 17 . 1 1 34 34 ARG HA H 34 4.078 4.078 4.236 -0.158 19811 5933 1 17 . 1 1 34 34 ARG CA C 34 58.321 58.321 57.781 0.540 19811 5934 1 17 . 1 1 34 34 ARG CB C 34 29.771 29.771 30.090 -0.319 19811 5935 1 17 . 1 1 34 34 ARG H H 34 7.922 7.922 8.071 -0.149 19811 5936 1 17 . 1 1 35 35 LEU N N 35 115.523 115.523 118.607 -3.084 19811 5937 1 17 . 1 1 35 35 LEU HA H 35 4.426 4.426 4.534 -0.108 19811 5938 1 17 . 1 1 35 35 LEU CA C 35 54.601 54.601 55.109 -0.508 19811 5939 1 17 . 1 1 35 35 LEU CB C 35 42.895 42.895 42.889 0.006 19811 5940 1 17 . 1 1 35 35 LEU H H 35 7.999 7.999 7.497 0.502 19811 5941 1 17 . 1 1 36 36 GLY N N 36 110.277 110.277 107.747 2.530 19811 5942 1 17 . 1 1 36 36 GLY CA C 36 46.906 46.906 45.478 1.428 19811 5943 1 17 . 1 1 36 36 GLY H H 36 7.864 7.864 8.011 -0.147 19811 5944 1 17 . 1 1 37 37 LEU N N 37 119.310 119.310 119.091 0.219 19811 5945 1 17 . 1 1 37 37 LEU HA H 37 4.691 4.691 4.649 0.042 19811 5946 1 17 . 1 1 37 37 LEU CA C 37 52.642 52.642 53.243 -0.601 19811 5947 1 17 . 1 1 37 37 LEU CB C 37 45.355 45.355 44.679 0.676 19811 5948 1 17 . 1 1 37 37 LEU H H 37 8.025 8.025 7.928 0.097 19811 5949 1 17 . 1 1 38 38 SER N N 38 115.906 115.906 115.275 0.631 19811 5950 1 17 . 1 1 38 38 SER HA H 38 4.955 4.955 4.868 0.087 19811 5951 1 17 . 1 1 38 38 SER CA C 38 55.376 55.376 55.963 -0.587 19811 5952 1 17 . 1 1 38 38 SER CB C 38 63.732 63.732 63.792 -0.060 19811 5953 1 17 . 1 1 38 38 SER H H 38 8.662 8.662 8.293 0.369 19811 5954 1 17 . 1 1 39 39 PRO HA H 39 3.976 3.976 4.376 -0.400 19811 5955 1 17 . 1 1 39 39 PRO CA C 39 65.434 65.434 64.160 1.274 19811 5956 1 17 . 1 1 39 39 PRO CB C 39 31.527 31.527 32.263 -0.736 19811 5957 1 17 . 1 1 40 40 GLU N N 40 115.609 115.609 115.865 -0.256 19811 5958 1 17 . 1 1 40 40 GLU HA H 40 4.115 4.115 4.181 -0.066 19811 5959 1 17 . 1 1 40 40 GLU CA C 40 57.861 57.861 57.355 0.506 19811 5960 1 17 . 1 1 40 40 GLU CB C 40 28.842 28.842 29.366 -0.524 19811 5961 1 17 . 1 1 40 40 GLU H H 40 8.455 8.455 8.513 -0.058 19811 5962 1 17 . 1 1 41 41 ASP N N 41 118.239 118.239 118.453 -0.214 19811 5963 1 17 . 1 1 41 41 ASP HA H 41 4.711 4.711 4.678 0.033 19811 5964 1 17 . 1 1 41 41 ASP CA C 41 54.862 54.862 56.051 -1.189 19811 5965 1 17 . 1 1 41 41 ASP CB C 41 41.920 41.920 42.871 -0.951 19811 5966 1 17 . 1 1 41 41 ASP H H 41 7.814 7.814 7.509 0.305 19811 5967 1 17 . 1 1 42 42 ILE N N 42 116.579 116.579 119.900 -3.321 19811 5968 1 17 . 1 1 42 42 ILE HA H 42 4.305 4.305 4.773 -0.468 19811 5969 1 17 . 1 1 42 42 ILE CA C 42 60.232 60.232 61.036 -0.804 19811 5970 1 17 . 1 1 42 42 ILE CB C 42 39.070 39.070 38.174 0.896 19811 5971 1 17 . 1 1 42 42 ILE H H 42 7.069 7.069 7.265 -0.196 19811 5972 1 17 . 1 1 43 43 LYS N N 43 128.374 128.374 128.005 0.369 19811 5973 1 17 . 1 1 43 43 LYS HA H 43 4.489 4.489 4.636 -0.147 19811 5974 1 17 . 1 1 43 43 LYS CA C 43 54.924 54.924 54.514 0.410 19811 5975 1 17 . 1 1 43 43 LYS CB C 43 35.322 35.322 35.901 -0.579 19811 5976 1 17 . 1 1 43 43 LYS H H 43 8.709 8.709 8.660 0.049 19811 5977 1 17 . 1 1 44 44 LEU N N 44 126.700 126.700 126.236 0.464 19811 5978 1 17 . 1 1 44 44 LEU HA H 44 5.368 5.368 4.518 0.850 19811 5979 1 17 . 1 1 44 44 LEU CA C 44 52.839 52.839 54.512 -1.673 19811 5980 1 17 . 1 1 44 44 LEU CB C 44 44.529 44.529 43.027 1.502 19811 5981 1 17 . 1 1 44 44 LEU H H 44 8.929 8.929 8.689 0.240 19811 5982 1 17 . 1 1 45 45 THR N N 45 112.945 112.945 120.681 -7.736 19811 5983 1 17 . 1 1 45 45 THR HA H 45 5.282 5.282 4.913 0.369 19811 5984 1 17 . 1 1 45 45 THR CA C 45 59.240 59.240 61.713 -2.473 19811 5985 1 17 . 1 1 45 45 THR CB C 45 72.146 72.146 69.835 2.312 19811 5986 1 17 . 1 1 45 45 THR H H 45 8.846 8.846 8.291 0.555 19811 5987 1 17 . 1 1 46 46 HIS N N 46 120.347 120.347 125.684 -5.337 19811 5988 1 17 . 1 1 46 46 HIS HA H 46 4.956 4.956 4.880 0.076 19811 5989 1 17 . 1 1 46 46 HIS CA C 46 55.757 55.757 55.465 0.292 19811 5990 1 17 . 1 1 46 46 HIS CB C 46 34.673 34.673 33.401 1.272 19811 5991 1 17 . 1 1 46 46 HIS H H 46 8.620 8.620 9.144 -0.524 19811 5992 1 17 . 1 1 47 47 ASN N N 47 128.187 128.187 124.625 3.562 19811 5993 1 17 . 1 1 47 47 ASN HA H 47 4.178 4.178 4.193 -0.015 19811 5994 1 17 . 1 1 47 47 ASN CA C 47 53.481 53.481 53.552 -0.071 19811 5995 1 17 . 1 1 47 47 ASN CB C 47 36.888 36.888 37.035 -0.147 19811 5996 1 17 . 1 1 47 47 ASN H H 47 9.136 9.136 8.909 0.227 19811 5997 1 17 . 1 1 48 48 GLY N N 48 103.028 103.028 104.826 -1.798 19811 5998 1 17 . 1 1 48 48 GLY CA C 48 45.279 45.279 44.857 0.422 19811 5999 1 17 . 1 1 48 48 GLY H H 48 8.633 8.633 8.279 0.354 19811 6000 1 17 . 1 1 49 49 LYS N N 49 121.730 121.730 122.453 -0.723 19811 6001 1 17 . 1 1 49 49 LYS HA H 49 4.572 4.572 4.731 -0.159 19811 6002 1 17 . 1 1 49 49 LYS CA C 49 54.677 54.677 54.808 -0.131 19811 6003 1 17 . 1 1 49 49 LYS CB C 49 33.823 33.823 34.289 -0.466 19811 6004 1 17 . 1 1 49 49 LYS H H 49 7.790 7.790 8.057 -0.267 19811 6005 1 17 . 1 1 50 50 THR N N 50 121.190 121.190 113.184 8.006 19811 6006 1 17 . 1 1 50 50 THR HA H 50 4.254 4.254 5.013 -0.759 19811 6007 1 17 . 1 1 50 50 THR CA C 50 63.304 63.304 60.757 2.547 19811 6008 1 17 . 1 1 50 50 THR CB C 50 68.732 68.732 70.246 -1.514 19811 6009 1 17 . 1 1 50 50 THR H H 50 8.735 8.735 8.328 0.407 19811 6010 1 17 . 1 1 51 51 LEU N N 51 127.406 127.406 123.479 3.927 19811 6011 1 17 . 1 1 51 51 LEU HA H 51 3.973 3.973 4.124 -0.151 19811 6012 1 17 . 1 1 51 51 LEU CA C 51 54.125 54.125 53.840 0.285 19811 6013 1 17 . 1 1 51 51 LEU CB C 51 41.715 41.715 42.977 -1.262 19811 6014 1 17 . 1 1 51 51 LEU H H 51 8.586 8.586 8.193 0.393 19811 6015 1 17 . 1 1 52 52 ASP N N 52 126.711 126.711 124.356 2.355 19811 6016 1 17 . 1 1 52 52 ASP HA H 52 4.840 4.840 4.907 -0.067 19811 6017 1 17 . 1 1 52 52 ASP CA C 52 51.377 51.377 52.444 -1.067 19811 6018 1 17 . 1 1 52 52 ASP CB C 52 43.019 43.019 42.460 0.559 19811 6019 1 17 . 1 1 52 52 ASP H H 52 8.974 8.974 8.221 0.753 19811 6020 1 17 . 1 1 53 53 PRO HA H 53 4.095 4.095 4.411 -0.316 19811 6021 1 17 . 1 1 53 53 PRO CA C 53 64.240 64.240 64.459 -0.219 19811 6022 1 17 . 1 1 53 53 PRO CB C 53 33.077 33.077 32.204 0.873 19811 6023 1 17 . 1 1 54 54 SER N N 54 110.024 110.024 112.837 -2.813 19811 6024 1 17 . 1 1 54 54 SER HA H 54 4.330 4.330 4.331 -0.001 19811 6025 1 17 . 1 1 54 54 SER CA C 54 59.971 59.971 59.747 0.224 19811 6026 1 17 . 1 1 54 54 SER CB C 54 63.881 63.881 63.252 0.629 19811 6027 1 17 . 1 1 54 54 SER H H 54 8.643 8.643 8.412 0.231 19811 6028 1 17 . 1 1 55 55 LEU N N 55 123.514 123.514 119.578 3.936 19811 6029 1 17 . 1 1 55 55 LEU HA H 55 4.645 4.645 4.551 0.094 19811 6030 1 17 . 1 1 55 55 LEU CA C 55 50.579 50.579 53.740 -3.161 19811 6031 1 17 . 1 1 55 55 LEU CB C 55 43.928 43.928 43.852 0.076 19811 6032 1 17 . 1 1 55 55 LEU H H 55 7.722 7.722 7.374 0.348 19811 6033 1 17 . 1 1 56 56 THR N N 56 107.845 107.845 109.369 -1.524 19811 6034 1 17 . 1 1 56 56 THR HA H 56 4.921 4.921 4.493 0.428 19811 6035 1 17 . 1 1 56 56 THR CA C 56 60.266 60.266 61.054 -0.788 19811 6036 1 17 . 1 1 56 56 THR CB C 56 71.553 71.553 70.994 0.559 19811 6037 1 17 . 1 1 56 56 THR H H 56 8.335 8.335 8.065 0.270 19811 6038 1 17 . 1 1 57 57 LEU N N 57 118.354 118.354 119.941 -1.587 19811 6039 1 17 . 1 1 57 57 LEU HA H 57 3.992 3.992 4.358 -0.366 19811 6040 1 17 . 1 1 57 57 LEU CA C 57 58.658 58.658 56.589 2.069 19811 6041 1 17 . 1 1 57 57 LEU CB C 57 39.774 39.774 41.613 -1.839 19811 6042 1 17 . 1 1 57 57 LEU H H 57 8.117 8.117 8.168 -0.051 19811 6043 1 17 . 1 1 58 58 ALA N N 58 120.467 120.467 119.907 0.560 19811 6044 1 17 . 1 1 58 58 ALA HA H 58 4.075 4.075 4.365 -0.290 19811 6045 1 17 . 1 1 58 58 ALA CA C 58 55.047 55.047 54.169 0.878 19811 6046 1 17 . 1 1 58 58 ALA CB C 58 18.267 18.267 18.654 -0.387 19811 6047 1 17 . 1 1 58 58 ALA H H 58 8.730 8.730 8.361 0.369 19811 6048 1 17 . 1 1 59 59 GLU N N 59 119.907 119.907 117.789 2.118 19811 6049 1 17 . 1 1 59 59 GLU HA H 59 3.935 3.935 4.186 -0.251 19811 6050 1 17 . 1 1 59 59 GLU CA C 59 58.914 58.914 57.911 1.003 19811 6051 1 17 . 1 1 59 59 GLU CB C 59 29.623 29.623 29.704 -0.081 19811 6052 1 17 . 1 1 59 59 GLU H H 59 7.890 7.890 8.393 -0.503 19811 6053 1 17 . 1 1 60 60 TYR N N 60 116.582 116.582 118.626 -2.044 19811 6054 1 17 . 1 1 60 60 TYR HA H 60 4.554 4.554 4.397 0.157 19811 6055 1 17 . 1 1 60 60 TYR CA C 60 59.463 59.463 58.825 0.638 19811 6056 1 17 . 1 1 60 60 TYR CB C 60 40.288 40.288 39.316 0.972 19811 6057 1 17 . 1 1 60 60 TYR H H 60 7.448 7.448 7.607 -0.159 19811 6058 1 17 . 1 1 61 61 GLY N N 61 109.141 109.141 107.977 1.164 19811 6059 1 17 . 1 1 61 61 GLY CA C 61 46.380 46.380 44.847 1.533 19811 6060 1 17 . 1 1 61 61 GLY H H 61 8.067 8.067 7.716 0.351 19811 6061 1 17 . 1 1 62 62 ILE N N 62 120.506 120.506 122.411 -1.905 19811 6062 1 17 . 1 1 62 62 ILE HA H 62 3.614 3.614 4.328 -0.714 19811 6063 1 17 . 1 1 62 62 ILE CA C 62 61.392 61.392 60.759 0.633 19811 6064 1 17 . 1 1 62 62 ILE CB C 62 36.445 36.445 38.878 -2.433 19811 6065 1 17 . 1 1 62 62 ILE H H 62 7.416 7.416 7.570 -0.154 19811 6066 1 17 . 1 1 63 63 THR N N 63 117.984 117.984 118.737 -0.753 19811 6067 1 17 . 1 1 63 63 THR HA H 63 4.528 4.528 4.960 -0.432 19811 6068 1 17 . 1 1 63 63 THR CA C 63 58.942 58.942 58.047 0.895 19811 6069 1 17 . 1 1 63 63 THR CB C 63 68.304 68.304 69.555 -1.252 19811 6070 1 17 . 1 1 63 63 THR H H 63 7.408 7.408 8.400 -0.992 19811 6071 1 17 . 1 1 64 64 PRO HA H 64 4.237 4.237 4.275 -0.038 19811 6072 1 17 . 1 1 64 64 PRO CA C 64 64.568 64.568 63.506 1.062 19811 6073 1 17 . 1 1 64 64 PRO CB C 64 31.861 31.861 31.573 0.287 19811 6074 1 17 . 1 1 65 65 GLY N N 65 112.539 112.539 111.472 1.067 19811 6075 1 17 . 1 1 65 65 GLY CA C 65 44.719 44.719 44.949 -0.230 19811 6076 1 17 . 1 1 65 65 GLY H H 65 9.286 9.286 8.492 0.794 19811 6077 1 17 . 1 1 66 66 SER N N 66 116.523 116.523 115.232 1.291 19811 6078 1 17 . 1 1 66 66 SER HA H 66 4.535 4.535 5.015 -0.480 19811 6079 1 17 . 1 1 66 66 SER CA C 66 60.415 60.415 56.271 4.144 19811 6080 1 17 . 1 1 66 66 SER CB C 66 64.604 64.604 64.134 0.470 19811 6081 1 17 . 1 1 66 66 SER H H 66 7.822 7.822 8.139 -0.317 19811 6082 1 17 . 1 1 67 67 THR N N 67 118.238 118.238 115.653 2.585 19811 6083 1 17 . 1 1 67 67 THR HA H 67 5.342 5.342 4.612 0.730 19811 6084 1 17 . 1 1 67 67 THR CA C 67 62.059 62.059 61.569 0.489 19811 6085 1 17 . 1 1 67 67 THR CB C 67 70.858 70.858 69.150 1.708 19811 6086 1 17 . 1 1 67 67 THR H H 67 8.715 8.715 8.194 0.521 19811 6087 1 17 . 1 1 68 68 ILE N N 68 126.891 126.891 127.276 -0.385 19811 6088 1 17 . 1 1 68 68 ILE HA H 68 4.761 4.761 4.435 0.326 19811 6089 1 17 . 1 1 68 68 ILE CA C 68 59.434 59.434 60.649 -1.215 19811 6090 1 17 . 1 1 68 68 ILE CB C 68 40.783 40.783 40.954 -0.171 19811 6091 1 17 . 1 1 68 68 ILE H H 68 9.097 9.097 8.224 0.873 19811 6092 1 17 . 1 1 69 69 THR N N 69 120.333 120.333 121.215 -0.882 19811 6093 1 17 . 1 1 69 69 THR HA H 69 4.566 4.566 4.993 -0.427 19811 6094 1 17 . 1 1 69 69 THR CA C 69 63.014 63.014 61.381 1.633 19811 6095 1 17 . 1 1 69 69 THR CB C 69 70.043 70.043 69.972 0.071 19811 6096 1 17 . 1 1 69 69 THR H H 69 8.903 8.903 8.328 0.576 19811 6097 1 17 . 1 1 70 70 LEU N N 70 126.490 126.490 123.494 2.996 19811 6098 1 17 . 1 1 70 70 LEU HA H 70 4.984 4.984 5.065 -0.081 19811 6099 1 17 . 1 1 70 70 LEU CA C 70 54.088 54.088 53.212 0.876 19811 6100 1 17 . 1 1 70 70 LEU CB C 70 44.772 44.772 43.670 1.102 19811 6101 1 17 . 1 1 70 70 LEU H H 70 8.191 8.191 8.065 0.126 19811 6102 1 17 . 1 1 71 71 GLU N N 71 125.912 125.912 118.806 7.106 19811 6103 1 17 . 1 1 71 71 GLU HA H 71 4.505 4.505 4.678 -0.173 19811 6104 1 17 . 1 1 71 71 GLU CA C 71 54.828 54.828 55.107 -0.279 19811 6105 1 17 . 1 1 71 71 GLU CB C 71 33.391 33.391 34.073 -0.682 19811 6106 1 17 . 1 1 71 71 GLU H H 71 9.089 9.089 8.416 0.673 19811 6107 1 17 . 1 1 72 72 ILE N N 72 123.229 123.229 121.812 1.417 19811 6108 1 17 . 1 1 72 72 ILE HA H 72 4.570 4.570 4.836 -0.266 19811 6109 1 17 . 1 1 72 72 ILE CA C 72 59.629 59.629 60.146 -0.517 19811 6110 1 17 . 1 1 72 72 ILE CB C 72 38.376 38.376 40.435 -2.059 19811 6111 1 17 . 1 1 72 72 ILE H H 72 8.526 8.526 8.632 -0.106 19811 6112 1 17 . 1 1 73 73 LYS N N 73 129.392 129.392 126.928 2.464 19811 6113 1 17 . 1 1 73 73 LYS HA H 73 4.178 4.178 4.599 -0.421 19811 6114 1 17 . 1 1 73 73 LYS CA C 73 56.564 56.564 55.303 1.261 19811 6115 1 17 . 1 1 73 73 LYS CB C 73 33.320 33.320 34.653 -1.333 19811 6116 1 17 . 1 1 73 73 LYS H H 73 8.837 8.837 8.211 0.626 19811 6117 1 17 . 1 1 74 74 LYS N N 74 123.476 123.476 122.238 1.238 19811 6118 1 17 . 1 1 74 74 LYS HA H 74 4.255 4.255 4.505 -0.250 19811 6119 1 17 . 1 1 74 74 LYS CA C 74 56.000 56.000 55.560 0.440 19811 6120 1 17 . 1 1 74 74 LYS CB C 74 33.223 33.223 33.402 -0.179 19811 6121 1 17 . 1 1 74 74 LYS H H 74 8.266 8.266 8.321 -0.055 19811 6122 1 17 . 1 1 75 75 LYS N N 75 124.450 124.450 121.920 2.530 19811 6123 1 17 . 1 1 75 75 LYS HA H 75 4.245 4.245 4.532 -0.287 19811 6124 1 17 . 1 1 75 75 LYS CA C 75 56.677 56.677 55.925 0.752 19811 6125 1 17 . 1 1 75 75 LYS CB C 75 32.876 32.876 34.063 -1.187 19811 6126 1 17 . 1 1 75 75 LYS H H 75 8.572 8.572 8.494 0.078 19811 6127 1 17 . 1 1 76 76 GLY N N 76 110.666 110.666 109.516 1.150 19811 6128 1 17 . 1 1 76 76 GLY CA C 76 45.330 45.330 44.574 0.756 19811 6129 1 17 . 1 1 76 76 GLY H H 76 8.549 8.549 8.478 0.071 19811 6130 1 17 . 1 1 77 77 GLY N N 77 108.740 108.740 108.551 0.189 19811 6131 1 17 . 1 1 77 77 GLY CA C 77 45.300 45.300 45.392 -0.092 19811 6132 1 17 . 1 1 77 77 GLY H H 77 8.332 8.332 8.340 -0.008 19811 6133 1 17 . 1 1 78 78 LEU N N 78 121.371 121.371 121.547 -0.176 19811 6134 1 17 . 1 1 78 78 LEU HA H 78 4.263 4.263 4.648 -0.385 19811 6135 1 17 . 1 1 78 78 LEU CA C 78 55.127 55.127 54.748 0.379 19811 6136 1 17 . 1 1 78 78 LEU CB C 78 42.290 42.290 42.804 -0.514 19811 6137 1 17 . 1 1 78 78 LEU H H 78 8.165 8.165 8.070 0.095 19811 6138 1 18 . 1 1 2 2 ASP N N 2 121.707 121.707 117.022 4.685 19811 6139 1 18 . 1 1 2 2 ASP HA H 2 4.798 4.798 4.988 -0.190 19811 6140 1 18 . 1 1 2 2 ASP CA C 2 54.249 54.249 54.291 -0.042 19811 6141 1 18 . 1 1 2 2 ASP CB C 2 42.163 42.163 43.139 -0.976 19811 6142 1 18 . 1 1 2 2 ASP H H 2 8.479 8.479 8.292 0.187 19811 6143 1 18 . 1 1 3 3 THR N N 3 109.876 109.876 113.199 -3.323 19811 6144 1 18 . 1 1 3 3 THR HA H 3 5.324 5.324 5.331 -0.007 19811 6145 1 18 . 1 1 3 3 THR CA C 3 59.553 59.553 60.608 -1.055 19811 6146 1 18 . 1 1 3 3 THR CB C 3 72.235 72.235 70.329 1.906 19811 6147 1 18 . 1 1 3 3 THR H H 3 7.857 7.857 7.630 0.227 19811 6148 1 18 . 1 1 4 4 ILE N N 4 115.792 115.792 116.389 -0.597 19811 6149 1 18 . 1 1 4 4 ILE HA H 4 4.464 4.464 4.565 -0.101 19811 6150 1 18 . 1 1 4 4 ILE CA C 4 59.314 59.314 59.379 -0.065 19811 6151 1 18 . 1 1 4 4 ILE CB C 4 41.940 41.940 41.511 0.428 19811 6152 1 18 . 1 1 4 4 ILE H H 4 8.665 8.665 8.873 -0.208 19811 6153 1 18 . 1 1 5 5 ASN N N 5 119.913 119.913 119.818 0.095 19811 6154 1 18 . 1 1 5 5 ASN HA H 5 5.438 5.438 5.767 -0.329 19811 6155 1 18 . 1 1 5 5 ASN CA C 5 51.594 51.594 51.429 0.165 19811 6156 1 18 . 1 1 5 5 ASN CB C 5 41.031 41.031 41.222 -0.191 19811 6157 1 18 . 1 1 5 5 ASN H H 5 8.457 8.457 8.080 0.377 19811 6158 1 18 . 1 1 6 6 ILE N N 6 122.674 122.674 121.852 0.822 19811 6159 1 18 . 1 1 6 6 ILE HA H 6 5.035 5.035 4.567 0.468 19811 6160 1 18 . 1 1 6 6 ILE CA C 6 57.857 57.857 59.507 -1.650 19811 6161 1 18 . 1 1 6 6 ILE CB C 6 38.947 38.947 38.180 0.767 19811 6162 1 18 . 1 1 6 6 ILE H H 6 9.426 9.426 8.443 0.983 19811 6163 1 18 . 1 1 7 7 THR N N 7 124.398 124.398 124.149 0.249 19811 6164 1 18 . 1 1 7 7 THR HA H 7 4.512 4.512 4.942 -0.430 19811 6165 1 18 . 1 1 7 7 THR CA C 7 62.639 62.639 61.650 0.989 19811 6166 1 18 . 1 1 7 7 THR CB C 7 69.074 69.074 68.845 0.229 19811 6167 1 18 . 1 1 7 7 THR H H 7 9.152 9.152 9.135 0.017 19811 6168 1 18 . 1 1 8 8 LEU N N 8 127.909 127.909 124.390 3.519 19811 6169 1 18 . 1 1 8 8 LEU HA H 8 4.601 4.601 4.942 -0.341 19811 6170 1 18 . 1 1 8 8 LEU CA C 8 53.537 53.537 51.820 1.717 19811 6171 1 18 . 1 1 8 8 LEU CB C 8 39.928 39.928 40.750 -0.822 19811 6172 1 18 . 1 1 8 8 LEU H H 8 8.992 8.992 7.662 1.330 19811 6173 1 18 . 1 1 9 9 PRO HA H 9 4.419 4.419 4.214 0.205 19811 6174 1 18 . 1 1 9 9 PRO CA C 9 65.184 65.184 65.408 -0.224 19811 6175 1 18 . 1 1 9 9 PRO CB C 9 31.999 31.999 31.626 0.373 19811 6176 1 18 . 1 1 10 10 ASP N N 10 113.521 113.521 116.457 -2.936 19811 6177 1 18 . 1 1 10 10 ASP HA H 10 4.490 4.490 4.524 -0.034 19811 6178 1 18 . 1 1 10 10 ASP CA C 10 53.129 53.129 54.691 -1.562 19811 6179 1 18 . 1 1 10 10 ASP CB C 10 39.986 39.986 40.672 -0.686 19811 6180 1 18 . 1 1 10 10 ASP H H 10 7.678 7.678 8.132 -0.454 19811 6181 1 18 . 1 1 11 11 GLY N N 11 108.658 108.658 107.352 1.306 19811 6182 1 18 . 1 1 11 11 GLY CA C 11 45.218 45.218 44.938 0.280 19811 6183 1 18 . 1 1 11 11 GLY H H 11 8.376 8.376 7.978 0.398 19811 6184 1 18 . 1 1 12 12 LYS N N 12 121.449 121.449 119.774 1.675 19811 6185 1 18 . 1 1 12 12 LYS HA H 12 4.331 4.331 4.513 -0.182 19811 6186 1 18 . 1 1 12 12 LYS CA C 12 56.660 56.660 55.605 1.055 19811 6187 1 18 . 1 1 12 12 LYS CB C 12 33.199 33.199 33.176 0.023 19811 6188 1 18 . 1 1 12 12 LYS H H 12 7.766 7.766 7.840 -0.074 19811 6189 1 18 . 1 1 13 13 THR N N 13 113.928 113.928 110.826 3.102 19811 6190 1 18 . 1 1 13 13 THR HA H 13 5.193 5.193 5.633 -0.440 19811 6191 1 18 . 1 1 13 13 THR CA C 13 61.734 61.734 60.224 1.510 19811 6192 1 18 . 1 1 13 13 THR CB C 13 71.481 71.481 71.578 -0.097 19811 6193 1 18 . 1 1 13 13 THR H H 13 8.248 8.248 8.141 0.107 19811 6194 1 18 . 1 1 14 14 LEU N N 14 128.446 128.446 122.393 6.053 19811 6195 1 18 . 1 1 14 14 LEU HA H 14 4.739 4.739 4.738 0.001 19811 6196 1 18 . 1 1 14 14 LEU CA C 14 53.403 53.403 53.670 -0.267 19811 6197 1 18 . 1 1 14 14 LEU CB C 14 45.480 45.480 45.673 -0.193 19811 6198 1 18 . 1 1 14 14 LEU H H 14 9.270 9.270 8.339 0.931 19811 6199 1 18 . 1 1 15 15 THR N N 15 123.048 123.048 119.220 3.828 19811 6200 1 18 . 1 1 15 15 THR HA H 15 5.191 5.191 5.099 0.092 19811 6201 1 18 . 1 1 15 15 THR CA C 15 61.986 61.986 61.681 0.305 19811 6202 1 18 . 1 1 15 15 THR CB C 15 70.339 70.339 69.408 0.931 19811 6203 1 18 . 1 1 15 15 THR H H 15 8.759 8.759 8.240 0.519 19811 6204 1 18 . 1 1 16 16 LEU N N 16 125.874 125.874 127.500 -1.626 19811 6205 1 18 . 1 1 16 16 LEU HA H 16 4.770 4.770 4.749 0.021 19811 6206 1 18 . 1 1 16 16 LEU CA C 16 53.222 53.222 53.647 -0.425 19811 6207 1 18 . 1 1 16 16 LEU CB C 16 45.322 45.322 46.142 -0.820 19811 6208 1 18 . 1 1 16 16 LEU H H 16 8.551 8.551 8.712 -0.161 19811 6209 1 18 . 1 1 17 17 THR N N 17 117.080 117.080 117.807 -0.727 19811 6210 1 18 . 1 1 17 17 THR HA H 17 4.629 4.629 5.240 -0.611 19811 6211 1 18 . 1 1 17 17 THR CA C 17 61.950 61.950 60.702 1.248 19811 6212 1 18 . 1 1 17 17 THR CB C 17 69.202 69.202 69.064 0.138 19811 6213 1 18 . 1 1 17 17 THR H H 17 8.342 8.342 8.285 0.057 19811 6214 1 18 . 1 1 18 18 VAL N N 18 116.699 116.699 121.417 -4.718 19811 6215 1 18 . 1 1 18 18 VAL HA H 18 3.910 3.910 4.193 -0.283 19811 6216 1 18 . 1 1 18 18 VAL CA C 18 58.565 58.565 59.378 -0.813 19811 6217 1 18 . 1 1 18 18 VAL CB C 18 35.910 35.910 34.680 1.230 19811 6218 1 18 . 1 1 18 18 VAL H H 18 8.131 8.131 8.577 -0.446 19811 6219 1 18 . 1 1 19 19 THR N N 19 110.389 110.389 107.909 2.480 19811 6220 1 18 . 1 1 19 19 THR HA H 19 4.807 4.807 4.922 -0.115 19811 6221 1 18 . 1 1 19 19 THR CA C 19 58.916 58.916 58.297 0.619 19811 6222 1 18 . 1 1 19 19 THR CB C 19 68.674 68.674 69.853 -1.179 19811 6223 1 18 . 1 1 19 19 THR H H 19 6.219 6.219 7.763 -1.544 19811 6224 1 18 . 1 1 20 20 PRO HA H 20 4.382 4.382 4.397 -0.015 19811 6225 1 18 . 1 1 20 20 PRO CA C 20 65.110 65.110 64.633 0.477 19811 6226 1 18 . 1 1 20 20 PRO CB C 20 31.996 31.996 32.010 -0.014 19811 6227 1 18 . 1 1 21 21 GLU N N 21 113.087 113.087 115.454 -2.367 19811 6228 1 18 . 1 1 21 21 GLU HA H 21 4.350 4.350 4.308 0.042 19811 6229 1 18 . 1 1 21 21 GLU CA C 21 56.513 56.513 55.913 0.600 19811 6230 1 18 . 1 1 21 21 GLU CB C 21 29.153 29.153 29.711 -0.558 19811 6231 1 18 . 1 1 21 21 GLU H H 21 7.960 7.960 8.315 -0.355 19811 6232 1 18 . 1 1 22 22 PHE N N 22 123.828 123.828 119.839 3.989 19811 6233 1 18 . 1 1 22 22 PHE HA H 22 4.518 4.518 4.775 -0.257 19811 6234 1 18 . 1 1 22 22 PHE CA C 22 58.778 58.778 58.418 0.360 19811 6235 1 18 . 1 1 22 22 PHE CB C 22 40.224 40.224 40.497 -0.273 19811 6236 1 18 . 1 1 22 22 PHE H H 22 7.724 7.724 7.646 0.078 19811 6237 1 18 . 1 1 23 23 THR N N 23 114.031 114.031 112.801 1.230 19811 6238 1 18 . 1 1 23 23 THR HA H 23 4.791 4.791 4.526 0.265 19811 6239 1 18 . 1 1 23 23 THR CA C 23 60.340 60.340 60.300 0.040 19811 6240 1 18 . 1 1 23 23 THR CB C 23 71.791 71.791 71.169 0.622 19811 6241 1 18 . 1 1 23 23 THR H H 23 8.504 8.504 7.822 0.682 19811 6242 1 18 . 1 1 24 24 VAL N N 24 122.541 122.541 120.645 1.896 19811 6243 1 18 . 1 1 24 24 VAL HA H 24 3.427 3.427 3.716 -0.289 19811 6244 1 18 . 1 1 24 24 VAL CA C 24 66.745 66.745 66.973 -0.228 19811 6245 1 18 . 1 1 24 24 VAL CB C 24 30.735 30.735 31.227 -0.492 19811 6246 1 18 . 1 1 24 24 VAL H H 24 8.918 8.918 8.496 0.422 19811 6247 1 18 . 1 1 25 25 LYS N N 25 121.079 121.079 119.000 2.079 19811 6248 1 18 . 1 1 25 25 LYS HA H 25 3.912 3.912 3.987 -0.075 19811 6249 1 18 . 1 1 25 25 LYS CA C 25 59.950 59.950 59.671 0.279 19811 6250 1 18 . 1 1 25 25 LYS CB C 25 32.824 32.824 32.235 0.589 19811 6251 1 18 . 1 1 25 25 LYS H H 25 8.622 8.622 8.314 0.308 19811 6252 1 18 . 1 1 26 26 GLU N N 26 118.646 118.646 120.857 -2.211 19811 6253 1 18 . 1 1 26 26 GLU HA H 26 3.859 3.859 4.371 -0.512 19811 6254 1 18 . 1 1 26 26 GLU CA C 26 59.012 59.012 59.051 -0.039 19811 6255 1 18 . 1 1 26 26 GLU CB C 26 29.344 29.344 29.556 -0.212 19811 6256 1 18 . 1 1 26 26 GLU H H 26 7.734 7.734 7.505 0.229 19811 6257 1 18 . 1 1 27 27 LEU N N 27 122.155 122.155 120.424 1.731 19811 6258 1 18 . 1 1 27 27 LEU HA H 27 4.136 4.136 4.186 -0.050 19811 6259 1 18 . 1 1 27 27 LEU CA C 27 58.226 58.226 58.171 0.055 19811 6260 1 18 . 1 1 27 27 LEU CB C 27 41.986 41.986 42.157 -0.171 19811 6261 1 18 . 1 1 27 27 LEU H H 27 8.000 8.000 8.468 -0.468 19811 6262 1 18 . 1 1 28 28 ALA N N 28 121.362 121.362 120.048 1.314 19811 6263 1 18 . 1 1 28 28 ALA HA H 28 3.837 3.837 4.084 -0.247 19811 6264 1 18 . 1 1 28 28 ALA CA C 28 55.872 55.872 55.026 0.846 19811 6265 1 18 . 1 1 28 28 ALA CB C 28 17.902 17.902 18.271 -0.369 19811 6266 1 18 . 1 1 28 28 ALA H H 28 8.899 8.899 7.802 1.097 19811 6267 1 18 . 1 1 29 29 GLU N N 29 116.582 116.582 117.889 -1.307 19811 6268 1 18 . 1 1 29 29 GLU HA H 29 3.814 3.814 4.053 -0.239 19811 6269 1 18 . 1 1 29 29 GLU CA C 29 59.849 59.849 58.745 1.104 19811 6270 1 18 . 1 1 29 29 GLU CB C 29 29.185 29.185 29.210 -0.025 19811 6271 1 18 . 1 1 29 29 GLU H H 29 8.437 8.437 7.950 0.487 19811 6272 1 18 . 1 1 30 30 GLU N N 30 121.430 121.430 120.391 1.039 19811 6273 1 18 . 1 1 30 30 GLU HA H 30 4.293 4.293 4.196 0.097 19811 6274 1 18 . 1 1 30 30 GLU CA C 30 58.829 58.829 59.152 -0.323 19811 6275 1 18 . 1 1 30 30 GLU CB C 30 28.720 28.720 29.675 -0.955 19811 6276 1 18 . 1 1 30 30 GLU H H 30 7.877 7.877 7.771 0.106 19811 6277 1 18 . 1 1 31 31 ILE N N 31 119.644 119.644 120.414 -0.770 19811 6278 1 18 . 1 1 31 31 ILE HA H 31 3.289 3.289 3.821 -0.532 19811 6279 1 18 . 1 1 31 31 ILE CA C 31 65.937 65.937 63.349 2.588 19811 6280 1 18 . 1 1 31 31 ILE CB C 31 38.338 38.338 38.040 0.298 19811 6281 1 18 . 1 1 31 31 ILE H H 31 8.438 8.438 7.478 0.960 19811 6282 1 18 . 1 1 32 32 ALA N N 32 120.190 120.190 121.751 -1.561 19811 6283 1 18 . 1 1 32 32 ALA HA H 32 3.637 3.637 4.058 -0.421 19811 6284 1 18 . 1 1 32 32 ALA CA C 32 56.071 56.071 55.249 0.822 19811 6285 1 18 . 1 1 32 32 ALA CB C 32 17.287 17.287 18.093 -0.805 19811 6286 1 18 . 1 1 32 32 ALA H H 32 8.609 8.609 7.775 0.834 19811 6287 1 18 . 1 1 33 33 ARG N N 33 116.846 116.846 117.115 -0.269 19811 6288 1 18 . 1 1 33 33 ARG HA H 33 4.085 4.085 4.081 0.004 19811 6289 1 18 . 1 1 33 33 ARG CA C 33 59.367 59.367 59.086 0.281 19811 6290 1 18 . 1 1 33 33 ARG CB C 33 30.575 30.575 30.328 0.247 19811 6291 1 18 . 1 1 33 33 ARG H H 33 7.817 7.817 7.643 0.174 19811 6292 1 18 . 1 1 34 34 ARG N N 34 118.212 118.212 118.220 -0.008 19811 6293 1 18 . 1 1 34 34 ARG HA H 34 4.078 4.078 4.146 -0.068 19811 6294 1 18 . 1 1 34 34 ARG CA C 34 58.321 58.321 58.393 -0.072 19811 6295 1 18 . 1 1 34 34 ARG CB C 34 29.771 29.771 29.790 -0.019 19811 6296 1 18 . 1 1 34 34 ARG H H 34 7.922 7.922 7.856 0.066 19811 6297 1 18 . 1 1 35 35 LEU N N 35 115.523 115.523 117.984 -2.461 19811 6298 1 18 . 1 1 35 35 LEU HA H 35 4.426 4.426 4.449 -0.023 19811 6299 1 18 . 1 1 35 35 LEU CA C 35 54.601 54.601 55.398 -0.797 19811 6300 1 18 . 1 1 35 35 LEU CB C 35 42.895 42.895 42.739 0.156 19811 6301 1 18 . 1 1 35 35 LEU H H 35 7.999 7.999 7.573 0.426 19811 6302 1 18 . 1 1 36 36 GLY N N 36 110.277 110.277 106.784 3.493 19811 6303 1 18 . 1 1 36 36 GLY CA C 36 46.906 46.906 45.340 1.566 19811 6304 1 18 . 1 1 36 36 GLY H H 36 7.864 7.864 7.666 0.198 19811 6305 1 18 . 1 1 37 37 LEU N N 37 119.310 119.310 118.695 0.615 19811 6306 1 18 . 1 1 37 37 LEU HA H 37 4.691 4.691 4.843 -0.152 19811 6307 1 18 . 1 1 37 37 LEU CA C 37 52.642 52.642 52.897 -0.255 19811 6308 1 18 . 1 1 37 37 LEU CB C 37 45.355 45.355 45.304 0.050 19811 6309 1 18 . 1 1 37 37 LEU H H 37 8.025 8.025 8.158 -0.133 19811 6310 1 18 . 1 1 38 38 SER N N 38 115.906 115.906 113.322 2.584 19811 6311 1 18 . 1 1 38 38 SER HA H 38 4.955 4.955 4.924 0.031 19811 6312 1 18 . 1 1 38 38 SER CA C 38 55.376 55.376 55.601 -0.225 19811 6313 1 18 . 1 1 38 38 SER CB C 38 63.732 63.732 63.704 0.028 19811 6314 1 18 . 1 1 38 38 SER H H 38 8.662 8.662 8.208 0.454 19811 6315 1 18 . 1 1 39 39 PRO HA H 39 3.976 3.976 4.331 -0.355 19811 6316 1 18 . 1 1 39 39 PRO CA C 39 65.434 65.434 64.483 0.951 19811 6317 1 18 . 1 1 39 39 PRO CB C 39 31.527 31.527 32.128 -0.601 19811 6318 1 18 . 1 1 40 40 GLU N N 40 115.609 115.609 116.837 -1.228 19811 6319 1 18 . 1 1 40 40 GLU HA H 40 4.115 4.115 4.185 -0.070 19811 6320 1 18 . 1 1 40 40 GLU CA C 40 57.861 57.861 57.650 0.211 19811 6321 1 18 . 1 1 40 40 GLU CB C 40 28.842 28.842 29.345 -0.503 19811 6322 1 18 . 1 1 40 40 GLU H H 40 8.455 8.455 8.544 -0.089 19811 6323 1 18 . 1 1 41 41 ASP N N 41 118.239 118.239 118.951 -0.712 19811 6324 1 18 . 1 1 41 41 ASP HA H 41 4.711 4.711 4.687 0.024 19811 6325 1 18 . 1 1 41 41 ASP CA C 41 54.862 54.862 56.066 -1.204 19811 6326 1 18 . 1 1 41 41 ASP CB C 41 41.920 41.920 42.228 -0.308 19811 6327 1 18 . 1 1 41 41 ASP H H 41 7.814 7.814 7.681 0.133 19811 6328 1 18 . 1 1 42 42 ILE N N 42 116.579 116.579 119.366 -2.787 19811 6329 1 18 . 1 1 42 42 ILE HA H 42 4.305 4.305 4.347 -0.042 19811 6330 1 18 . 1 1 42 42 ILE CA C 42 60.232 60.232 61.218 -0.986 19811 6331 1 18 . 1 1 42 42 ILE CB C 42 39.070 39.070 37.709 1.361 19811 6332 1 18 . 1 1 42 42 ILE H H 42 7.069 7.069 7.263 -0.194 19811 6333 1 18 . 1 1 43 43 LYS N N 43 128.374 128.374 128.545 -0.171 19811 6334 1 18 . 1 1 43 43 LYS HA H 43 4.489 4.489 4.658 -0.169 19811 6335 1 18 . 1 1 43 43 LYS CA C 43 54.924 54.924 54.629 0.295 19811 6336 1 18 . 1 1 43 43 LYS CB C 43 35.322 35.322 35.720 -0.398 19811 6337 1 18 . 1 1 43 43 LYS H H 43 8.709 8.709 8.675 0.034 19811 6338 1 18 . 1 1 44 44 LEU N N 44 126.700 126.700 126.041 0.659 19811 6339 1 18 . 1 1 44 44 LEU HA H 44 5.368 5.368 4.508 0.860 19811 6340 1 18 . 1 1 44 44 LEU CA C 44 52.839 52.839 54.918 -2.079 19811 6341 1 18 . 1 1 44 44 LEU CB C 44 44.529 44.529 42.904 1.625 19811 6342 1 18 . 1 1 44 44 LEU H H 44 8.929 8.929 8.742 0.186 19811 6343 1 18 . 1 1 45 45 THR N N 45 112.945 112.945 119.785 -6.840 19811 6344 1 18 . 1 1 45 45 THR HA H 45 5.282 5.282 5.156 0.126 19811 6345 1 18 . 1 1 45 45 THR CA C 45 59.240 59.240 61.396 -2.156 19811 6346 1 18 . 1 1 45 45 THR CB C 45 72.146 72.146 70.813 1.333 19811 6347 1 18 . 1 1 45 45 THR H H 45 8.846 8.846 8.529 0.317 19811 6348 1 18 . 1 1 46 46 HIS N N 46 120.347 120.347 125.270 -4.923 19811 6349 1 18 . 1 1 46 46 HIS HA H 46 4.956 4.956 4.954 0.002 19811 6350 1 18 . 1 1 46 46 HIS CA C 46 55.757 55.757 55.496 0.261 19811 6351 1 18 . 1 1 46 46 HIS CB C 46 34.673 34.673 32.872 1.801 19811 6352 1 18 . 1 1 46 46 HIS H H 46 8.620 8.620 8.878 -0.258 19811 6353 1 18 . 1 1 47 47 ASN N N 47 128.187 128.187 124.732 3.455 19811 6354 1 18 . 1 1 47 47 ASN HA H 47 4.178 4.178 4.231 -0.053 19811 6355 1 18 . 1 1 47 47 ASN CA C 47 53.481 53.481 53.812 -0.331 19811 6356 1 18 . 1 1 47 47 ASN CB C 47 36.888 36.888 36.805 0.083 19811 6357 1 18 . 1 1 47 47 ASN H H 47 9.136 9.136 8.892 0.244 19811 6358 1 18 . 1 1 48 48 GLY N N 48 103.028 103.028 105.205 -2.177 19811 6359 1 18 . 1 1 48 48 GLY CA C 48 45.279 45.279 44.987 0.292 19811 6360 1 18 . 1 1 48 48 GLY H H 48 8.633 8.633 8.627 0.006 19811 6361 1 18 . 1 1 49 49 LYS N N 49 121.730 121.730 120.777 0.953 19811 6362 1 18 . 1 1 49 49 LYS HA H 49 4.572 4.572 4.687 -0.115 19811 6363 1 18 . 1 1 49 49 LYS CA C 49 54.677 54.677 54.847 -0.170 19811 6364 1 18 . 1 1 49 49 LYS CB C 49 33.823 33.823 35.498 -1.675 19811 6365 1 18 . 1 1 49 49 LYS H H 49 7.790 7.790 7.789 0.001 19811 6366 1 18 . 1 1 50 50 THR N N 50 121.190 121.190 115.482 5.708 19811 6367 1 18 . 1 1 50 50 THR HA H 50 4.254 4.254 5.110 -0.856 19811 6368 1 18 . 1 1 50 50 THR CA C 50 63.304 63.304 61.084 2.220 19811 6369 1 18 . 1 1 50 50 THR CB C 50 68.732 68.732 69.999 -1.267 19811 6370 1 18 . 1 1 50 50 THR H H 50 8.735 8.735 8.428 0.307 19811 6371 1 18 . 1 1 51 51 LEU N N 51 127.406 127.406 123.579 3.827 19811 6372 1 18 . 1 1 51 51 LEU HA H 51 3.973 3.973 4.214 -0.241 19811 6373 1 18 . 1 1 51 51 LEU CA C 51 54.125 54.125 54.051 0.074 19811 6374 1 18 . 1 1 51 51 LEU CB C 51 41.715 41.715 43.298 -1.583 19811 6375 1 18 . 1 1 51 51 LEU H H 51 8.586 8.586 8.120 0.466 19811 6376 1 18 . 1 1 52 52 ASP N N 52 126.711 126.711 125.185 1.526 19811 6377 1 18 . 1 1 52 52 ASP HA H 52 4.840 4.840 4.955 -0.115 19811 6378 1 18 . 1 1 52 52 ASP CA C 52 51.377 51.377 52.356 -0.979 19811 6379 1 18 . 1 1 52 52 ASP CB C 52 43.019 43.019 42.376 0.644 19811 6380 1 18 . 1 1 52 52 ASP H H 52 8.974 8.974 8.076 0.898 19811 6381 1 18 . 1 1 53 53 PRO HA H 53 4.095 4.095 4.435 -0.340 19811 6382 1 18 . 1 1 53 53 PRO CA C 53 64.240 64.240 64.312 -0.072 19811 6383 1 18 . 1 1 53 53 PRO CB C 53 33.077 33.077 32.276 0.801 19811 6384 1 18 . 1 1 54 54 SER N N 54 110.024 110.024 113.006 -2.982 19811 6385 1 18 . 1 1 54 54 SER HA H 54 4.330 4.330 4.293 0.037 19811 6386 1 18 . 1 1 54 54 SER CA C 54 59.971 59.971 59.882 0.089 19811 6387 1 18 . 1 1 54 54 SER CB C 54 63.881 63.881 63.079 0.802 19811 6388 1 18 . 1 1 54 54 SER H H 54 8.643 8.643 8.470 0.173 19811 6389 1 18 . 1 1 55 55 LEU N N 55 123.514 123.514 121.834 1.680 19811 6390 1 18 . 1 1 55 55 LEU HA H 55 4.645 4.645 4.640 0.005 19811 6391 1 18 . 1 1 55 55 LEU CA C 55 50.579 50.579 53.955 -3.376 19811 6392 1 18 . 1 1 55 55 LEU CB C 55 43.928 43.928 43.332 0.596 19811 6393 1 18 . 1 1 55 55 LEU H H 55 7.722 7.722 7.391 0.331 19811 6394 1 18 . 1 1 56 56 THR N N 56 107.845 107.845 108.692 -0.847 19811 6395 1 18 . 1 1 56 56 THR HA H 56 4.921 4.921 4.599 0.322 19811 6396 1 18 . 1 1 56 56 THR CA C 56 60.266 60.266 60.472 -0.206 19811 6397 1 18 . 1 1 56 56 THR CB C 56 71.553 71.553 70.651 0.902 19811 6398 1 18 . 1 1 56 56 THR H H 56 8.335 8.335 8.003 0.332 19811 6399 1 18 . 1 1 57 57 LEU N N 57 118.354 118.354 119.969 -1.615 19811 6400 1 18 . 1 1 57 57 LEU HA H 57 3.992 3.992 4.604 -0.612 19811 6401 1 18 . 1 1 57 57 LEU CA C 57 58.658 58.658 57.041 1.617 19811 6402 1 18 . 1 1 57 57 LEU CB C 57 39.774 39.774 42.511 -2.737 19811 6403 1 18 . 1 1 57 57 LEU H H 57 8.117 8.117 8.961 -0.844 19811 6404 1 18 . 1 1 58 58 ALA N N 58 120.467 120.467 119.239 1.228 19811 6405 1 18 . 1 1 58 58 ALA HA H 58 4.075 4.075 4.203 -0.128 19811 6406 1 18 . 1 1 58 58 ALA CA C 58 55.047 55.047 53.764 1.282 19811 6407 1 18 . 1 1 58 58 ALA CB C 58 18.267 18.267 18.462 -0.195 19811 6408 1 18 . 1 1 58 58 ALA H H 58 8.730 8.730 8.373 0.357 19811 6409 1 18 . 1 1 59 59 GLU N N 59 119.907 119.907 117.552 2.355 19811 6410 1 18 . 1 1 59 59 GLU HA H 59 3.935 3.935 4.179 -0.244 19811 6411 1 18 . 1 1 59 59 GLU CA C 59 58.914 58.914 57.485 1.429 19811 6412 1 18 . 1 1 59 59 GLU CB C 59 29.623 29.623 29.834 -0.211 19811 6413 1 18 . 1 1 59 59 GLU H H 59 7.890 7.890 8.385 -0.495 19811 6414 1 18 . 1 1 60 60 TYR N N 60 116.582 116.582 118.533 -1.951 19811 6415 1 18 . 1 1 60 60 TYR HA H 60 4.554 4.554 4.484 0.070 19811 6416 1 18 . 1 1 60 60 TYR CA C 60 59.463 59.463 58.832 0.631 19811 6417 1 18 . 1 1 60 60 TYR CB C 60 40.288 40.288 39.375 0.913 19811 6418 1 18 . 1 1 60 60 TYR H H 60 7.448 7.448 7.633 -0.185 19811 6419 1 18 . 1 1 61 61 GLY N N 61 109.141 109.141 108.113 1.028 19811 6420 1 18 . 1 1 61 61 GLY CA C 61 46.380 46.380 45.025 1.355 19811 6421 1 18 . 1 1 61 61 GLY H H 61 8.067 8.067 7.908 0.159 19811 6422 1 18 . 1 1 62 62 ILE N N 62 120.506 120.506 121.366 -0.860 19811 6423 1 18 . 1 1 62 62 ILE HA H 62 3.614 3.614 4.299 -0.685 19811 6424 1 18 . 1 1 62 62 ILE CA C 62 61.392 61.392 60.893 0.499 19811 6425 1 18 . 1 1 62 62 ILE CB C 62 36.445 36.445 39.049 -2.604 19811 6426 1 18 . 1 1 62 62 ILE H H 62 7.416 7.416 7.565 -0.149 19811 6427 1 18 . 1 1 63 63 THR N N 63 117.984 117.984 118.570 -0.586 19811 6428 1 18 . 1 1 63 63 THR HA H 63 4.528 4.528 4.826 -0.298 19811 6429 1 18 . 1 1 63 63 THR CA C 63 58.942 58.942 59.274 -0.332 19811 6430 1 18 . 1 1 63 63 THR CB C 63 68.304 68.304 69.179 -0.875 19811 6431 1 18 . 1 1 63 63 THR H H 63 7.408 7.408 8.130 -0.722 19811 6432 1 18 . 1 1 64 64 PRO HA H 64 4.237 4.237 4.271 -0.034 19811 6433 1 18 . 1 1 64 64 PRO CA C 64 64.568 64.568 62.861 1.707 19811 6434 1 18 . 1 1 64 64 PRO CB C 64 31.861 31.861 31.900 -0.039 19811 6435 1 18 . 1 1 65 65 GLY N N 65 112.539 112.539 111.016 1.523 19811 6436 1 18 . 1 1 65 65 GLY CA C 65 44.719 44.719 45.062 -0.343 19811 6437 1 18 . 1 1 65 65 GLY H H 65 9.286 9.286 8.327 0.959 19811 6438 1 18 . 1 1 66 66 SER N N 66 116.523 116.523 116.577 -0.054 19811 6439 1 18 . 1 1 66 66 SER HA H 66 4.535 4.535 4.829 -0.294 19811 6440 1 18 . 1 1 66 66 SER CA C 66 60.415 60.415 56.943 3.472 19811 6441 1 18 . 1 1 66 66 SER CB C 66 64.604 64.604 65.122 -0.518 19811 6442 1 18 . 1 1 66 66 SER H H 66 7.822 7.822 7.907 -0.085 19811 6443 1 18 . 1 1 67 67 THR N N 67 118.238 118.238 115.361 2.877 19811 6444 1 18 . 1 1 67 67 THR HA H 67 5.342 5.342 4.421 0.921 19811 6445 1 18 . 1 1 67 67 THR CA C 67 62.059 62.059 62.009 0.050 19811 6446 1 18 . 1 1 67 67 THR CB C 67 70.858 70.858 68.954 1.905 19811 6447 1 18 . 1 1 67 67 THR H H 67 8.715 8.715 8.402 0.313 19811 6448 1 18 . 1 1 68 68 ILE N N 68 126.891 126.891 128.088 -1.197 19811 6449 1 18 . 1 1 68 68 ILE HA H 68 4.761 4.761 4.445 0.316 19811 6450 1 18 . 1 1 68 68 ILE CA C 68 59.434 59.434 60.717 -1.283 19811 6451 1 18 . 1 1 68 68 ILE CB C 68 40.783 40.783 39.330 1.453 19811 6452 1 18 . 1 1 68 68 ILE H H 68 9.097 9.097 8.130 0.967 19811 6453 1 18 . 1 1 69 69 THR N N 69 120.333 120.333 120.954 -0.621 19811 6454 1 18 . 1 1 69 69 THR HA H 69 4.566 4.566 5.006 -0.440 19811 6455 1 18 . 1 1 69 69 THR CA C 69 63.014 63.014 60.480 2.534 19811 6456 1 18 . 1 1 69 69 THR CB C 69 70.043 70.043 69.394 0.649 19811 6457 1 18 . 1 1 69 69 THR H H 69 8.903 8.903 8.290 0.613 19811 6458 1 18 . 1 1 70 70 LEU N N 70 126.490 126.490 122.464 4.026 19811 6459 1 18 . 1 1 70 70 LEU HA H 70 4.984 4.984 5.409 -0.425 19811 6460 1 18 . 1 1 70 70 LEU CA C 70 54.088 54.088 53.215 0.873 19811 6461 1 18 . 1 1 70 70 LEU CB C 70 44.772 44.772 44.123 0.649 19811 6462 1 18 . 1 1 70 70 LEU H H 70 8.191 8.191 7.811 0.380 19811 6463 1 18 . 1 1 71 71 GLU N N 71 125.912 125.912 120.184 5.728 19811 6464 1 18 . 1 1 71 71 GLU HA H 71 4.505 4.505 4.719 -0.214 19811 6465 1 18 . 1 1 71 71 GLU CA C 71 54.828 54.828 55.611 -0.783 19811 6466 1 18 . 1 1 71 71 GLU CB C 71 33.391 33.391 33.042 0.349 19811 6467 1 18 . 1 1 71 71 GLU H H 71 9.089 9.089 8.577 0.512 19811 6468 1 18 . 1 1 72 72 ILE N N 72 123.229 123.229 123.918 -0.689 19811 6469 1 18 . 1 1 72 72 ILE HA H 72 4.570 4.570 4.902 -0.332 19811 6470 1 18 . 1 1 72 72 ILE CA C 72 59.629 59.629 59.785 -0.155 19811 6471 1 18 . 1 1 72 72 ILE CB C 72 38.376 38.376 40.264 -1.888 19811 6472 1 18 . 1 1 72 72 ILE H H 72 8.526 8.526 8.481 0.045 19811 6473 1 18 . 1 1 73 73 LYS N N 73 129.392 129.392 126.335 3.057 19811 6474 1 18 . 1 1 73 73 LYS HA H 73 4.178 4.178 4.534 -0.356 19811 6475 1 18 . 1 1 73 73 LYS CA C 73 56.564 56.564 55.353 1.211 19811 6476 1 18 . 1 1 73 73 LYS CB C 73 33.320 33.320 33.243 0.077 19811 6477 1 18 . 1 1 73 73 LYS H H 73 8.837 8.837 8.502 0.335 19811 6478 1 18 . 1 1 74 74 LYS N N 74 123.476 123.476 123.031 0.445 19811 6479 1 18 . 1 1 74 74 LYS HA H 74 4.255 4.255 4.488 -0.233 19811 6480 1 18 . 1 1 74 74 LYS CA C 74 56.000 56.000 55.705 0.295 19811 6481 1 18 . 1 1 74 74 LYS CB C 74 33.223 33.223 34.208 -0.985 19811 6482 1 18 . 1 1 74 74 LYS H H 74 8.266 8.266 8.408 -0.142 19811 6483 1 18 . 1 1 75 75 LYS N N 75 124.450 124.450 121.289 3.161 19811 6484 1 18 . 1 1 75 75 LYS HA H 75 4.245 4.245 4.499 -0.254 19811 6485 1 18 . 1 1 75 75 LYS CA C 75 56.677 56.677 56.377 0.300 19811 6486 1 18 . 1 1 75 75 LYS CB C 75 32.876 32.876 33.160 -0.284 19811 6487 1 18 . 1 1 75 75 LYS H H 75 8.572 8.572 8.747 -0.175 19811 6488 1 18 . 1 1 76 76 GLY N N 76 110.666 110.666 110.145 0.521 19811 6489 1 18 . 1 1 76 76 GLY CA C 76 45.330 45.330 44.510 0.820 19811 6490 1 18 . 1 1 76 76 GLY H H 76 8.549 8.549 8.649 -0.100 19811 6491 1 18 . 1 1 77 77 GLY N N 77 108.740 108.740 107.647 1.093 19811 6492 1 18 . 1 1 77 77 GLY CA C 77 45.300 45.300 44.326 0.974 19811 6493 1 18 . 1 1 77 77 GLY H H 77 8.332 8.332 8.433 -0.101 19811 6494 1 18 . 1 1 78 78 LEU N N 78 121.371 121.371 121.058 0.313 19811 6495 1 18 . 1 1 78 78 LEU HA H 78 4.263 4.263 4.623 -0.360 19811 6496 1 18 . 1 1 78 78 LEU CA C 78 55.127 55.127 55.887 -0.760 19811 6497 1 18 . 1 1 78 78 LEU CB C 78 42.290 42.290 42.364 -0.074 19811 6498 1 18 . 1 1 78 78 LEU H H 78 8.165 8.165 8.571 -0.406 19811 6499 1 19 . 1 1 2 2 ASP N N 2 121.707 121.707 118.926 2.781 19811 6500 1 19 . 1 1 2 2 ASP HA H 2 4.798 4.798 4.781 0.017 19811 6501 1 19 . 1 1 2 2 ASP CA C 2 54.249 54.249 54.240 0.009 19811 6502 1 19 . 1 1 2 2 ASP CB C 2 42.163 42.163 43.252 -1.089 19811 6503 1 19 . 1 1 2 2 ASP H H 2 8.479 8.479 8.579 -0.100 19811 6504 1 19 . 1 1 3 3 THR N N 3 109.876 109.876 111.875 -1.999 19811 6505 1 19 . 1 1 3 3 THR HA H 3 5.324 5.324 5.289 0.035 19811 6506 1 19 . 1 1 3 3 THR CA C 3 59.553 59.553 60.661 -1.108 19811 6507 1 19 . 1 1 3 3 THR CB C 3 72.235 72.235 71.016 1.219 19811 6508 1 19 . 1 1 3 3 THR H H 3 7.857 7.857 7.710 0.147 19811 6509 1 19 . 1 1 4 4 ILE N N 4 115.792 115.792 116.517 -0.725 19811 6510 1 19 . 1 1 4 4 ILE HA H 4 4.464 4.464 4.565 -0.101 19811 6511 1 19 . 1 1 4 4 ILE CA C 4 59.314 59.314 59.422 -0.108 19811 6512 1 19 . 1 1 4 4 ILE CB C 4 41.940 41.940 41.315 0.625 19811 6513 1 19 . 1 1 4 4 ILE H H 4 8.665 8.665 8.943 -0.278 19811 6514 1 19 . 1 1 5 5 ASN N N 5 119.913 119.913 120.629 -0.716 19811 6515 1 19 . 1 1 5 5 ASN HA H 5 5.438 5.438 5.650 -0.212 19811 6516 1 19 . 1 1 5 5 ASN CA C 5 51.594 51.594 51.710 -0.116 19811 6517 1 19 . 1 1 5 5 ASN CB C 5 41.031 41.031 40.571 0.460 19811 6518 1 19 . 1 1 5 5 ASN H H 5 8.457 8.457 8.105 0.352 19811 6519 1 19 . 1 1 6 6 ILE N N 6 122.674 122.674 122.576 0.098 19811 6520 1 19 . 1 1 6 6 ILE HA H 6 5.035 5.035 4.427 0.608 19811 6521 1 19 . 1 1 6 6 ILE CA C 6 57.857 57.857 59.162 -1.305 19811 6522 1 19 . 1 1 6 6 ILE CB C 6 38.947 38.947 37.940 1.007 19811 6523 1 19 . 1 1 6 6 ILE H H 6 9.426 9.426 8.770 0.656 19811 6524 1 19 . 1 1 7 7 THR N N 7 124.398 124.398 123.746 0.652 19811 6525 1 19 . 1 1 7 7 THR HA H 7 4.512 4.512 4.665 -0.153 19811 6526 1 19 . 1 1 7 7 THR CA C 7 62.639 62.639 61.601 1.038 19811 6527 1 19 . 1 1 7 7 THR CB C 7 69.074 69.074 68.914 0.160 19811 6528 1 19 . 1 1 7 7 THR H H 7 9.152 9.152 8.542 0.610 19811 6529 1 19 . 1 1 8 8 LEU N N 8 127.909 127.909 127.187 0.722 19811 6530 1 19 . 1 1 8 8 LEU HA H 8 4.601 4.601 4.705 -0.104 19811 6531 1 19 . 1 1 8 8 LEU CA C 8 53.537 53.537 52.198 1.339 19811 6532 1 19 . 1 1 8 8 LEU CB C 8 39.928 39.928 43.150 -3.221 19811 6533 1 19 . 1 1 8 8 LEU H H 8 8.992 8.992 7.879 1.113 19811 6534 1 19 . 1 1 9 9 PRO HA H 9 4.419 4.419 4.405 0.014 19811 6535 1 19 . 1 1 9 9 PRO CA C 9 65.184 65.184 64.657 0.527 19811 6536 1 19 . 1 1 9 9 PRO CB C 9 31.999 31.999 31.746 0.253 19811 6537 1 19 . 1 1 10 10 ASP N N 10 113.521 113.521 117.277 -3.756 19811 6538 1 19 . 1 1 10 10 ASP HA H 10 4.490 4.490 4.644 -0.154 19811 6539 1 19 . 1 1 10 10 ASP CA C 10 53.129 53.129 54.495 -1.365 19811 6540 1 19 . 1 1 10 10 ASP CB C 10 39.986 39.986 41.046 -1.060 19811 6541 1 19 . 1 1 10 10 ASP H H 10 7.678 7.678 8.170 -0.492 19811 6542 1 19 . 1 1 11 11 GLY N N 11 108.658 108.658 106.957 1.701 19811 6543 1 19 . 1 1 11 11 GLY CA C 11 45.218 45.218 44.934 0.284 19811 6544 1 19 . 1 1 11 11 GLY H H 11 8.376 8.376 7.780 0.596 19811 6545 1 19 . 1 1 12 12 LYS N N 12 121.449 121.449 119.765 1.684 19811 6546 1 19 . 1 1 12 12 LYS HA H 12 4.331 4.331 4.623 -0.292 19811 6547 1 19 . 1 1 12 12 LYS CA C 12 56.660 56.660 55.404 1.256 19811 6548 1 19 . 1 1 12 12 LYS CB C 12 33.199 33.199 33.464 -0.265 19811 6549 1 19 . 1 1 12 12 LYS H H 12 7.766 7.766 7.743 0.023 19811 6550 1 19 . 1 1 13 13 THR N N 13 113.928 113.928 113.094 0.834 19811 6551 1 19 . 1 1 13 13 THR HA H 13 5.193 5.193 5.602 -0.409 19811 6552 1 19 . 1 1 13 13 THR CA C 13 61.734 61.734 60.207 1.527 19811 6553 1 19 . 1 1 13 13 THR CB C 13 71.481 71.481 70.872 0.609 19811 6554 1 19 . 1 1 13 13 THR H H 13 8.248 8.248 8.252 -0.004 19811 6555 1 19 . 1 1 14 14 LEU N N 14 128.446 128.446 122.254 6.192 19811 6556 1 19 . 1 1 14 14 LEU HA H 14 4.739 4.739 4.794 -0.055 19811 6557 1 19 . 1 1 14 14 LEU CA C 14 53.403 53.403 54.061 -0.658 19811 6558 1 19 . 1 1 14 14 LEU CB C 14 45.480 45.480 45.924 -0.444 19811 6559 1 19 . 1 1 14 14 LEU H H 14 9.270 9.270 8.276 0.994 19811 6560 1 19 . 1 1 15 15 THR N N 15 123.048 123.048 118.890 4.158 19811 6561 1 19 . 1 1 15 15 THR HA H 15 5.191 5.191 5.060 0.131 19811 6562 1 19 . 1 1 15 15 THR CA C 15 61.986 61.986 61.598 0.388 19811 6563 1 19 . 1 1 15 15 THR CB C 15 70.339 70.339 69.810 0.529 19811 6564 1 19 . 1 1 15 15 THR H H 15 8.759 8.759 8.238 0.521 19811 6565 1 19 . 1 1 16 16 LEU N N 16 125.874 125.874 128.973 -3.099 19811 6566 1 19 . 1 1 16 16 LEU HA H 16 4.770 4.770 4.779 -0.009 19811 6567 1 19 . 1 1 16 16 LEU CA C 16 53.222 53.222 53.603 -0.381 19811 6568 1 19 . 1 1 16 16 LEU CB C 16 45.322 45.322 46.887 -1.565 19811 6569 1 19 . 1 1 16 16 LEU H H 16 8.551 8.551 8.966 -0.415 19811 6570 1 19 . 1 1 17 17 THR N N 17 117.080 117.080 120.377 -3.297 19811 6571 1 19 . 1 1 17 17 THR HA H 17 4.629 4.629 5.027 -0.398 19811 6572 1 19 . 1 1 17 17 THR CA C 17 61.950 61.950 61.418 0.532 19811 6573 1 19 . 1 1 17 17 THR CB C 17 69.202 69.202 69.580 -0.378 19811 6574 1 19 . 1 1 17 17 THR H H 17 8.342 8.342 8.315 0.027 19811 6575 1 19 . 1 1 18 18 VAL N N 18 116.699 116.699 122.688 -5.989 19811 6576 1 19 . 1 1 18 18 VAL HA H 18 3.910 3.910 4.097 -0.187 19811 6577 1 19 . 1 1 18 18 VAL CA C 18 58.565 58.565 58.774 -0.209 19811 6578 1 19 . 1 1 18 18 VAL CB C 18 35.910 35.910 34.425 1.485 19811 6579 1 19 . 1 1 18 18 VAL H H 18 8.131 8.131 7.948 0.183 19811 6580 1 19 . 1 1 19 19 THR N N 19 110.389 110.389 107.377 3.012 19811 6581 1 19 . 1 1 19 19 THR HA H 19 4.807 4.807 4.873 -0.066 19811 6582 1 19 . 1 1 19 19 THR CA C 19 58.916 58.916 58.156 0.760 19811 6583 1 19 . 1 1 19 19 THR CB C 19 68.674 68.674 70.331 -1.657 19811 6584 1 19 . 1 1 19 19 THR H H 19 6.219 6.219 7.487 -1.268 19811 6585 1 19 . 1 1 20 20 PRO HA H 20 4.382 4.382 4.372 0.010 19811 6586 1 19 . 1 1 20 20 PRO CA C 20 65.110 65.110 64.755 0.355 19811 6587 1 19 . 1 1 20 20 PRO CB C 20 31.996 31.996 31.994 0.002 19811 6588 1 19 . 1 1 21 21 GLU N N 21 113.087 113.087 115.365 -2.278 19811 6589 1 19 . 1 1 21 21 GLU HA H 21 4.350 4.350 4.316 0.034 19811 6590 1 19 . 1 1 21 21 GLU CA C 21 56.513 56.513 56.002 0.511 19811 6591 1 19 . 1 1 21 21 GLU CB C 21 29.153 29.153 29.791 -0.638 19811 6592 1 19 . 1 1 21 21 GLU H H 21 7.960 7.960 8.318 -0.358 19811 6593 1 19 . 1 1 22 22 PHE N N 22 123.828 123.828 119.505 4.323 19811 6594 1 19 . 1 1 22 22 PHE HA H 22 4.518 4.518 4.571 -0.053 19811 6595 1 19 . 1 1 22 22 PHE CA C 22 58.778 58.778 58.319 0.459 19811 6596 1 19 . 1 1 22 22 PHE CB C 22 40.224 40.224 40.121 0.103 19811 6597 1 19 . 1 1 22 22 PHE H H 22 7.724 7.724 7.729 -0.005 19811 6598 1 19 . 1 1 23 23 THR N N 23 114.031 114.031 113.721 0.310 19811 6599 1 19 . 1 1 23 23 THR HA H 23 4.791 4.791 4.479 0.312 19811 6600 1 19 . 1 1 23 23 THR CA C 23 60.340 60.340 60.661 -0.321 19811 6601 1 19 . 1 1 23 23 THR CB C 23 71.791 71.791 70.867 0.924 19811 6602 1 19 . 1 1 23 23 THR H H 23 8.504 8.504 8.175 0.329 19811 6603 1 19 . 1 1 24 24 VAL N N 24 122.541 122.541 120.119 2.422 19811 6604 1 19 . 1 1 24 24 VAL HA H 24 3.427 3.427 3.788 -0.361 19811 6605 1 19 . 1 1 24 24 VAL CA C 24 66.745 66.745 66.149 0.596 19811 6606 1 19 . 1 1 24 24 VAL CB C 24 30.735 30.735 30.798 -0.063 19811 6607 1 19 . 1 1 24 24 VAL H H 24 8.918 8.918 8.475 0.443 19811 6608 1 19 . 1 1 25 25 LYS N N 25 121.079 121.079 119.592 1.487 19811 6609 1 19 . 1 1 25 25 LYS HA H 25 3.912 3.912 3.972 -0.060 19811 6610 1 19 . 1 1 25 25 LYS CA C 25 59.950 59.950 59.945 0.005 19811 6611 1 19 . 1 1 25 25 LYS CB C 25 32.824 32.824 32.222 0.602 19811 6612 1 19 . 1 1 25 25 LYS H H 25 8.622 8.622 8.289 0.333 19811 6613 1 19 . 1 1 26 26 GLU N N 26 118.646 118.646 120.378 -1.732 19811 6614 1 19 . 1 1 26 26 GLU HA H 26 3.859 3.859 4.320 -0.461 19811 6615 1 19 . 1 1 26 26 GLU CA C 26 59.012 59.012 59.448 -0.436 19811 6616 1 19 . 1 1 26 26 GLU CB C 26 29.344 29.344 29.414 -0.070 19811 6617 1 19 . 1 1 26 26 GLU H H 26 7.734 7.734 7.501 0.233 19811 6618 1 19 . 1 1 27 27 LEU N N 27 122.155 122.155 120.874 1.281 19811 6619 1 19 . 1 1 27 27 LEU HA H 27 4.136 4.136 4.295 -0.159 19811 6620 1 19 . 1 1 27 27 LEU CA C 27 58.226 58.226 57.821 0.405 19811 6621 1 19 . 1 1 27 27 LEU CB C 27 41.986 41.986 42.163 -0.177 19811 6622 1 19 . 1 1 27 27 LEU H H 27 8.000 8.000 8.238 -0.238 19811 6623 1 19 . 1 1 28 28 ALA N N 28 121.362 121.362 120.232 1.130 19811 6624 1 19 . 1 1 28 28 ALA HA H 28 3.837 3.837 4.056 -0.219 19811 6625 1 19 . 1 1 28 28 ALA CA C 28 55.872 55.872 55.065 0.807 19811 6626 1 19 . 1 1 28 28 ALA CB C 28 17.902 17.902 18.248 -0.346 19811 6627 1 19 . 1 1 28 28 ALA H H 28 8.899 8.899 7.920 0.979 19811 6628 1 19 . 1 1 29 29 GLU N N 29 116.582 116.582 118.026 -1.444 19811 6629 1 19 . 1 1 29 29 GLU HA H 29 3.814 3.814 4.054 -0.240 19811 6630 1 19 . 1 1 29 29 GLU CA C 29 59.849 59.849 58.804 1.045 19811 6631 1 19 . 1 1 29 29 GLU CB C 29 29.185 29.185 29.184 0.001 19811 6632 1 19 . 1 1 29 29 GLU H H 29 8.437 8.437 8.000 0.437 19811 6633 1 19 . 1 1 30 30 GLU N N 30 121.430 121.430 120.463 0.967 19811 6634 1 19 . 1 1 30 30 GLU HA H 30 4.293 4.293 4.154 0.139 19811 6635 1 19 . 1 1 30 30 GLU CA C 30 58.829 58.829 59.087 -0.258 19811 6636 1 19 . 1 1 30 30 GLU CB C 30 28.720 28.720 29.857 -1.137 19811 6637 1 19 . 1 1 30 30 GLU H H 30 7.877 7.877 7.684 0.193 19811 6638 1 19 . 1 1 31 31 ILE N N 31 119.644 119.644 120.024 -0.380 19811 6639 1 19 . 1 1 31 31 ILE HA H 31 3.289 3.289 3.887 -0.598 19811 6640 1 19 . 1 1 31 31 ILE CA C 31 65.937 65.937 63.254 2.683 19811 6641 1 19 . 1 1 31 31 ILE CB C 31 38.338 38.338 38.142 0.196 19811 6642 1 19 . 1 1 31 31 ILE H H 31 8.438 8.438 7.494 0.944 19811 6643 1 19 . 1 1 32 32 ALA N N 32 120.190 120.190 121.918 -1.728 19811 6644 1 19 . 1 1 32 32 ALA HA H 32 3.637 3.637 4.139 -0.502 19811 6645 1 19 . 1 1 32 32 ALA CA C 32 56.071 56.071 54.822 1.249 19811 6646 1 19 . 1 1 32 32 ALA CB C 32 17.287 17.287 18.175 -0.888 19811 6647 1 19 . 1 1 32 32 ALA H H 32 8.609 8.609 7.835 0.774 19811 6648 1 19 . 1 1 33 33 ARG N N 33 116.846 116.846 117.924 -1.078 19811 6649 1 19 . 1 1 33 33 ARG HA H 33 4.085 4.085 4.081 0.004 19811 6650 1 19 . 1 1 33 33 ARG CA C 33 59.367 59.367 59.021 0.346 19811 6651 1 19 . 1 1 33 33 ARG CB C 33 30.575 30.575 30.472 0.103 19811 6652 1 19 . 1 1 33 33 ARG H H 33 7.817 7.817 7.730 0.087 19811 6653 1 19 . 1 1 34 34 ARG N N 34 118.212 118.212 117.603 0.609 19811 6654 1 19 . 1 1 34 34 ARG HA H 34 4.078 4.078 4.202 -0.124 19811 6655 1 19 . 1 1 34 34 ARG CA C 34 58.321 58.321 58.178 0.142 19811 6656 1 19 . 1 1 34 34 ARG CB C 34 29.771 29.771 29.949 -0.178 19811 6657 1 19 . 1 1 34 34 ARG H H 34 7.922 7.922 7.947 -0.025 19811 6658 1 19 . 1 1 35 35 LEU N N 35 115.523 115.523 118.254 -2.731 19811 6659 1 19 . 1 1 35 35 LEU HA H 35 4.426 4.426 4.470 -0.044 19811 6660 1 19 . 1 1 35 35 LEU CA C 35 54.601 54.601 55.318 -0.717 19811 6661 1 19 . 1 1 35 35 LEU CB C 35 42.895 42.895 42.822 0.073 19811 6662 1 19 . 1 1 35 35 LEU H H 35 7.999 7.999 7.564 0.435 19811 6663 1 19 . 1 1 36 36 GLY N N 36 110.277 110.277 107.185 3.092 19811 6664 1 19 . 1 1 36 36 GLY CA C 36 46.906 46.906 45.269 1.637 19811 6665 1 19 . 1 1 36 36 GLY H H 36 7.864 7.864 7.914 -0.050 19811 6666 1 19 . 1 1 37 37 LEU N N 37 119.310 119.310 119.070 0.240 19811 6667 1 19 . 1 1 37 37 LEU HA H 37 4.691 4.691 4.886 -0.195 19811 6668 1 19 . 1 1 37 37 LEU CA C 37 52.642 52.642 53.082 -0.440 19811 6669 1 19 . 1 1 37 37 LEU CB C 37 45.355 45.355 45.361 -0.006 19811 6670 1 19 . 1 1 37 37 LEU H H 37 8.025 8.025 8.153 -0.128 19811 6671 1 19 . 1 1 38 38 SER N N 38 115.906 115.906 113.271 2.635 19811 6672 1 19 . 1 1 38 38 SER HA H 38 4.955 4.955 5.004 -0.049 19811 6673 1 19 . 1 1 38 38 SER CA C 38 55.376 55.376 55.235 0.141 19811 6674 1 19 . 1 1 38 38 SER CB C 38 63.732 63.732 64.023 -0.291 19811 6675 1 19 . 1 1 38 38 SER H H 38 8.662 8.662 8.183 0.479 19811 6676 1 19 . 1 1 39 39 PRO HA H 39 3.976 3.976 4.388 -0.412 19811 6677 1 19 . 1 1 39 39 PRO CA C 39 65.434 65.434 64.350 1.083 19811 6678 1 19 . 1 1 39 39 PRO CB C 39 31.527 31.527 31.989 -0.462 19811 6679 1 19 . 1 1 40 40 GLU N N 40 115.609 115.609 115.397 0.212 19811 6680 1 19 . 1 1 40 40 GLU HA H 40 4.115 4.115 4.155 -0.040 19811 6681 1 19 . 1 1 40 40 GLU CA C 40 57.861 57.861 57.567 0.294 19811 6682 1 19 . 1 1 40 40 GLU CB C 40 28.842 28.842 29.423 -0.581 19811 6683 1 19 . 1 1 40 40 GLU H H 40 8.455 8.455 8.272 0.183 19811 6684 1 19 . 1 1 41 41 ASP N N 41 118.239 118.239 117.369 0.870 19811 6685 1 19 . 1 1 41 41 ASP HA H 41 4.711 4.711 4.721 -0.010 19811 6686 1 19 . 1 1 41 41 ASP CA C 41 54.862 54.862 55.842 -0.980 19811 6687 1 19 . 1 1 41 41 ASP CB C 41 41.920 41.920 42.568 -0.648 19811 6688 1 19 . 1 1 41 41 ASP H H 41 7.814 7.814 7.617 0.197 19811 6689 1 19 . 1 1 42 42 ILE N N 42 116.579 116.579 119.346 -2.767 19811 6690 1 19 . 1 1 42 42 ILE HA H 42 4.305 4.305 4.522 -0.217 19811 6691 1 19 . 1 1 42 42 ILE CA C 42 60.232 60.232 61.060 -0.828 19811 6692 1 19 . 1 1 42 42 ILE CB C 42 39.070 39.070 37.974 1.096 19811 6693 1 19 . 1 1 42 42 ILE H H 42 7.069 7.069 7.243 -0.174 19811 6694 1 19 . 1 1 43 43 LYS N N 43 128.374 128.374 128.440 -0.066 19811 6695 1 19 . 1 1 43 43 LYS HA H 43 4.489 4.489 4.685 -0.196 19811 6696 1 19 . 1 1 43 43 LYS CA C 43 54.924 54.924 54.569 0.355 19811 6697 1 19 . 1 1 43 43 LYS CB C 43 35.322 35.322 35.981 -0.659 19811 6698 1 19 . 1 1 43 43 LYS H H 43 8.709 8.709 8.880 -0.171 19811 6699 1 19 . 1 1 44 44 LEU N N 44 126.700 126.700 126.339 0.361 19811 6700 1 19 . 1 1 44 44 LEU HA H 44 5.368 5.368 4.522 0.846 19811 6701 1 19 . 1 1 44 44 LEU CA C 44 52.839 52.839 54.916 -2.077 19811 6702 1 19 . 1 1 44 44 LEU CB C 44 44.529 44.529 43.256 1.273 19811 6703 1 19 . 1 1 44 44 LEU H H 44 8.929 8.929 8.731 0.198 19811 6704 1 19 . 1 1 45 45 THR N N 45 112.945 112.945 120.026 -7.081 19811 6705 1 19 . 1 1 45 45 THR HA H 45 5.282 5.282 4.948 0.334 19811 6706 1 19 . 1 1 45 45 THR CA C 45 59.240 59.240 61.366 -2.126 19811 6707 1 19 . 1 1 45 45 THR CB C 45 72.146 72.146 70.022 2.124 19811 6708 1 19 . 1 1 45 45 THR H H 45 8.846 8.846 8.260 0.586 19811 6709 1 19 . 1 1 46 46 HIS N N 46 120.347 120.347 125.667 -5.320 19811 6710 1 19 . 1 1 46 46 HIS HA H 46 4.956 4.956 4.851 0.105 19811 6711 1 19 . 1 1 46 46 HIS CA C 46 55.757 55.757 55.555 0.202 19811 6712 1 19 . 1 1 46 46 HIS CB C 46 34.673 34.673 33.058 1.615 19811 6713 1 19 . 1 1 46 46 HIS H H 46 8.620 8.620 9.072 -0.452 19811 6714 1 19 . 1 1 47 47 ASN N N 47 128.187 128.187 125.065 3.122 19811 6715 1 19 . 1 1 47 47 ASN HA H 47 4.178 4.178 4.303 -0.125 19811 6716 1 19 . 1 1 47 47 ASN CA C 47 53.481 53.481 53.899 -0.418 19811 6717 1 19 . 1 1 47 47 ASN CB C 47 36.888 36.888 36.775 0.113 19811 6718 1 19 . 1 1 47 47 ASN H H 47 9.136 9.136 9.053 0.083 19811 6719 1 19 . 1 1 48 48 GLY N N 48 103.028 103.028 105.680 -2.652 19811 6720 1 19 . 1 1 48 48 GLY CA C 48 45.279 45.279 45.009 0.270 19811 6721 1 19 . 1 1 48 48 GLY H H 48 8.633 8.633 8.468 0.165 19811 6722 1 19 . 1 1 49 49 LYS N N 49 121.730 121.730 122.937 -1.207 19811 6723 1 19 . 1 1 49 49 LYS HA H 49 4.572 4.572 4.687 -0.115 19811 6724 1 19 . 1 1 49 49 LYS CA C 49 54.677 54.677 55.277 -0.600 19811 6725 1 19 . 1 1 49 49 LYS CB C 49 33.823 33.823 33.940 -0.117 19811 6726 1 19 . 1 1 49 49 LYS H H 49 7.790 7.790 8.112 -0.322 19811 6727 1 19 . 1 1 50 50 THR N N 50 121.190 121.190 114.348 6.842 19811 6728 1 19 . 1 1 50 50 THR HA H 50 4.254 4.254 4.995 -0.741 19811 6729 1 19 . 1 1 50 50 THR CA C 50 63.304 63.304 60.684 2.620 19811 6730 1 19 . 1 1 50 50 THR CB C 50 68.732 68.732 70.073 -1.341 19811 6731 1 19 . 1 1 50 50 THR H H 50 8.735 8.735 8.375 0.360 19811 6732 1 19 . 1 1 51 51 LEU N N 51 127.406 127.406 123.005 4.401 19811 6733 1 19 . 1 1 51 51 LEU HA H 51 3.973 3.973 4.141 -0.168 19811 6734 1 19 . 1 1 51 51 LEU CA C 51 54.125 54.125 54.385 -0.260 19811 6735 1 19 . 1 1 51 51 LEU CB C 51 41.715 41.715 42.862 -1.147 19811 6736 1 19 . 1 1 51 51 LEU H H 51 8.586 8.586 8.241 0.345 19811 6737 1 19 . 1 1 52 52 ASP N N 52 126.711 126.711 125.385 1.326 19811 6738 1 19 . 1 1 52 52 ASP HA H 52 4.840 4.840 4.965 -0.125 19811 6739 1 19 . 1 1 52 52 ASP CA C 52 51.377 51.377 52.296 -0.919 19811 6740 1 19 . 1 1 52 52 ASP CB C 52 43.019 43.019 42.453 0.566 19811 6741 1 19 . 1 1 52 52 ASP H H 52 8.974 8.974 7.857 1.117 19811 6742 1 19 . 1 1 53 53 PRO HA H 53 4.095 4.095 4.462 -0.367 19811 6743 1 19 . 1 1 53 53 PRO CA C 53 64.240 64.240 64.380 -0.140 19811 6744 1 19 . 1 1 53 53 PRO CB C 53 33.077 33.077 32.199 0.878 19811 6745 1 19 . 1 1 54 54 SER N N 54 110.024 110.024 113.776 -3.752 19811 6746 1 19 . 1 1 54 54 SER HA H 54 4.330 4.330 4.311 0.019 19811 6747 1 19 . 1 1 54 54 SER CA C 54 59.971 59.971 59.829 0.142 19811 6748 1 19 . 1 1 54 54 SER CB C 54 63.881 63.881 63.152 0.729 19811 6749 1 19 . 1 1 54 54 SER H H 54 8.643 8.643 8.489 0.154 19811 6750 1 19 . 1 1 55 55 LEU N N 55 123.514 123.514 121.389 2.125 19811 6751 1 19 . 1 1 55 55 LEU HA H 55 4.645 4.645 4.639 0.006 19811 6752 1 19 . 1 1 55 55 LEU CA C 55 50.579 50.579 54.135 -3.556 19811 6753 1 19 . 1 1 55 55 LEU CB C 55 43.928 43.928 43.117 0.811 19811 6754 1 19 . 1 1 55 55 LEU H H 55 7.722 7.722 7.401 0.321 19811 6755 1 19 . 1 1 56 56 THR N N 56 107.845 107.845 109.421 -1.576 19811 6756 1 19 . 1 1 56 56 THR HA H 56 4.921 4.921 4.572 0.349 19811 6757 1 19 . 1 1 56 56 THR CA C 56 60.266 60.266 60.885 -0.619 19811 6758 1 19 . 1 1 56 56 THR CB C 56 71.553 71.553 70.092 1.461 19811 6759 1 19 . 1 1 56 56 THR H H 56 8.335 8.335 8.036 0.299 19811 6760 1 19 . 1 1 57 57 LEU N N 57 118.354 118.354 120.088 -1.734 19811 6761 1 19 . 1 1 57 57 LEU HA H 57 3.992 3.992 4.630 -0.638 19811 6762 1 19 . 1 1 57 57 LEU CA C 57 58.658 58.658 56.799 1.859 19811 6763 1 19 . 1 1 57 57 LEU CB C 57 39.774 39.774 42.523 -2.748 19811 6764 1 19 . 1 1 57 57 LEU H H 57 8.117 8.117 8.718 -0.601 19811 6765 1 19 . 1 1 58 58 ALA N N 58 120.467 120.467 119.746 0.721 19811 6766 1 19 . 1 1 58 58 ALA HA H 58 4.075 4.075 4.258 -0.183 19811 6767 1 19 . 1 1 58 58 ALA CA C 58 55.047 55.047 53.480 1.567 19811 6768 1 19 . 1 1 58 58 ALA CB C 58 18.267 18.267 18.732 -0.465 19811 6769 1 19 . 1 1 58 58 ALA H H 58 8.730 8.730 8.343 0.387 19811 6770 1 19 . 1 1 59 59 GLU N N 59 119.907 119.907 117.423 2.484 19811 6771 1 19 . 1 1 59 59 GLU HA H 59 3.935 3.935 4.221 -0.286 19811 6772 1 19 . 1 1 59 59 GLU CA C 59 58.914 58.914 57.315 1.599 19811 6773 1 19 . 1 1 59 59 GLU CB C 59 29.623 29.623 29.541 0.082 19811 6774 1 19 . 1 1 59 59 GLU H H 59 7.890 7.890 8.426 -0.536 19811 6775 1 19 . 1 1 60 60 TYR N N 60 116.582 116.582 118.891 -2.309 19811 6776 1 19 . 1 1 60 60 TYR HA H 60 4.554 4.554 4.488 0.066 19811 6777 1 19 . 1 1 60 60 TYR CA C 60 59.463 59.463 58.438 1.025 19811 6778 1 19 . 1 1 60 60 TYR CB C 60 40.288 40.288 39.395 0.893 19811 6779 1 19 . 1 1 60 60 TYR H H 60 7.448 7.448 7.568 -0.120 19811 6780 1 19 . 1 1 61 61 GLY N N 61 109.141 109.141 108.017 1.124 19811 6781 1 19 . 1 1 61 61 GLY CA C 61 46.380 46.380 44.910 1.470 19811 6782 1 19 . 1 1 61 61 GLY H H 61 8.067 8.067 7.961 0.106 19811 6783 1 19 . 1 1 62 62 ILE N N 62 120.506 120.506 121.081 -0.575 19811 6784 1 19 . 1 1 62 62 ILE HA H 62 3.614 3.614 4.372 -0.758 19811 6785 1 19 . 1 1 62 62 ILE CA C 62 61.392 61.392 60.554 0.838 19811 6786 1 19 . 1 1 62 62 ILE CB C 62 36.445 36.445 39.665 -3.220 19811 6787 1 19 . 1 1 62 62 ILE H H 62 7.416 7.416 7.618 -0.202 19811 6788 1 19 . 1 1 63 63 THR N N 63 117.984 117.984 118.021 -0.037 19811 6789 1 19 . 1 1 63 63 THR HA H 63 4.528 4.528 4.872 -0.344 19811 6790 1 19 . 1 1 63 63 THR CA C 63 58.942 58.942 58.654 0.288 19811 6791 1 19 . 1 1 63 63 THR CB C 63 68.304 68.304 69.354 -1.050 19811 6792 1 19 . 1 1 63 63 THR H H 63 7.408 7.408 8.279 -0.871 19811 6793 1 19 . 1 1 64 64 PRO HA H 64 4.237 4.237 4.231 0.006 19811 6794 1 19 . 1 1 64 64 PRO CA C 64 64.568 64.568 63.103 1.465 19811 6795 1 19 . 1 1 64 64 PRO CB C 64 31.861 31.861 31.883 -0.022 19811 6796 1 19 . 1 1 65 65 GLY N N 65 112.539 112.539 111.878 0.661 19811 6797 1 19 . 1 1 65 65 GLY CA C 65 44.719 44.719 44.872 -0.153 19811 6798 1 19 . 1 1 65 65 GLY H H 65 9.286 9.286 8.288 0.998 19811 6799 1 19 . 1 1 66 66 SER N N 66 116.523 116.523 116.958 -0.435 19811 6800 1 19 . 1 1 66 66 SER HA H 66 4.535 4.535 4.818 -0.283 19811 6801 1 19 . 1 1 66 66 SER CA C 66 60.415 60.415 57.525 2.890 19811 6802 1 19 . 1 1 66 66 SER CB C 66 64.604 64.604 64.874 -0.270 19811 6803 1 19 . 1 1 66 66 SER H H 66 7.822 7.822 7.856 -0.034 19811 6804 1 19 . 1 1 67 67 THR N N 67 118.238 118.238 114.506 3.732 19811 6805 1 19 . 1 1 67 67 THR HA H 67 5.342 5.342 4.440 0.902 19811 6806 1 19 . 1 1 67 67 THR CA C 67 62.059 62.059 61.590 0.469 19811 6807 1 19 . 1 1 67 67 THR CB C 67 70.858 70.858 69.036 1.822 19811 6808 1 19 . 1 1 67 67 THR H H 67 8.715 8.715 8.306 0.409 19811 6809 1 19 . 1 1 68 68 ILE N N 68 126.891 126.891 122.580 4.311 19811 6810 1 19 . 1 1 68 68 ILE HA H 68 4.761 4.761 4.538 0.223 19811 6811 1 19 . 1 1 68 68 ILE CA C 68 59.434 59.434 59.763 -0.329 19811 6812 1 19 . 1 1 68 68 ILE CB C 68 40.783 40.783 39.764 1.020 19811 6813 1 19 . 1 1 68 68 ILE H H 68 9.097 9.097 8.054 1.043 19811 6814 1 19 . 1 1 69 69 THR N N 69 120.333 120.333 117.110 3.223 19811 6815 1 19 . 1 1 69 69 THR HA H 69 4.566 4.566 4.760 -0.194 19811 6816 1 19 . 1 1 69 69 THR CA C 69 63.014 63.014 60.489 2.525 19811 6817 1 19 . 1 1 69 69 THR CB C 69 70.043 70.043 69.850 0.193 19811 6818 1 19 . 1 1 69 69 THR H H 69 8.903 8.903 8.415 0.488 19811 6819 1 19 . 1 1 70 70 LEU N N 70 126.490 126.490 121.979 4.511 19811 6820 1 19 . 1 1 70 70 LEU HA H 70 4.984 4.984 5.023 -0.039 19811 6821 1 19 . 1 1 70 70 LEU CA C 70 54.088 54.088 53.634 0.454 19811 6822 1 19 . 1 1 70 70 LEU CB C 70 44.772 44.772 44.254 0.518 19811 6823 1 19 . 1 1 70 70 LEU H H 70 8.191 8.191 7.948 0.243 19811 6824 1 19 . 1 1 71 71 GLU N N 71 125.912 125.912 119.213 6.699 19811 6825 1 19 . 1 1 71 71 GLU HA H 71 4.505 4.505 4.638 -0.133 19811 6826 1 19 . 1 1 71 71 GLU CA C 71 54.828 54.828 54.770 0.058 19811 6827 1 19 . 1 1 71 71 GLU CB C 71 33.391 33.391 34.192 -0.801 19811 6828 1 19 . 1 1 71 71 GLU H H 71 9.089 9.089 8.624 0.465 19811 6829 1 19 . 1 1 72 72 ILE N N 72 123.229 123.229 122.693 0.536 19811 6830 1 19 . 1 1 72 72 ILE HA H 72 4.570 4.570 4.952 -0.382 19811 6831 1 19 . 1 1 72 72 ILE CA C 72 59.629 59.629 59.893 -0.264 19811 6832 1 19 . 1 1 72 72 ILE CB C 72 38.376 38.376 40.790 -2.414 19811 6833 1 19 . 1 1 72 72 ILE H H 72 8.526 8.526 8.542 -0.016 19811 6834 1 19 . 1 1 73 73 LYS N N 73 129.392 129.392 126.944 2.448 19811 6835 1 19 . 1 1 73 73 LYS HA H 73 4.178 4.178 4.630 -0.452 19811 6836 1 19 . 1 1 73 73 LYS CA C 73 56.564 56.564 55.808 0.756 19811 6837 1 19 . 1 1 73 73 LYS CB C 73 33.320 33.320 33.600 -0.280 19811 6838 1 19 . 1 1 73 73 LYS H H 73 8.837 8.837 8.254 0.583 19811 6839 1 19 . 1 1 74 74 LYS N N 74 123.476 123.476 120.693 2.783 19811 6840 1 19 . 1 1 74 74 LYS HA H 74 4.255 4.255 4.443 -0.188 19811 6841 1 19 . 1 1 74 74 LYS CA C 74 56.000 56.000 56.295 -0.295 19811 6842 1 19 . 1 1 74 74 LYS CB C 74 33.223 33.223 34.195 -0.972 19811 6843 1 19 . 1 1 74 74 LYS H H 74 8.266 8.266 8.453 -0.187 19811 6844 1 19 . 1 1 75 75 LYS N N 75 124.450 124.450 121.297 3.153 19811 6845 1 19 . 1 1 75 75 LYS HA H 75 4.245 4.245 4.522 -0.277 19811 6846 1 19 . 1 1 75 75 LYS CA C 75 56.677 56.677 55.966 0.711 19811 6847 1 19 . 1 1 75 75 LYS CB C 75 32.876 32.876 33.479 -0.603 19811 6848 1 19 . 1 1 75 75 LYS H H 75 8.572 8.572 8.067 0.505 19811 6849 1 19 . 1 1 76 76 GLY N N 76 110.666 110.666 108.965 1.701 19811 6850 1 19 . 1 1 76 76 GLY CA C 76 45.330 45.330 45.505 -0.175 19811 6851 1 19 . 1 1 76 76 GLY H H 76 8.549 8.549 8.222 0.327 19811 6852 1 19 . 1 1 77 77 GLY N N 77 108.740 108.740 109.166 -0.426 19811 6853 1 19 . 1 1 77 77 GLY CA C 77 45.300 45.300 45.090 0.210 19811 6854 1 19 . 1 1 77 77 GLY H H 77 8.332 8.332 8.031 0.301 19811 6855 1 19 . 1 1 78 78 LEU N N 78 121.371 121.371 124.234 -2.863 19811 6856 1 19 . 1 1 78 78 LEU HA H 78 4.263 4.263 4.748 -0.485 19811 6857 1 19 . 1 1 78 78 LEU CA C 78 55.127 55.127 54.629 0.498 19811 6858 1 19 . 1 1 78 78 LEU CB C 78 42.290 42.290 41.752 0.538 19811 6859 1 19 . 1 1 78 78 LEU H H 78 8.165 8.165 8.317 -0.152 19811 6860 1 20 . 1 1 2 2 ASP N N 2 121.707 121.707 116.752 4.955 19811 6861 1 20 . 1 1 2 2 ASP HA H 2 4.798 4.798 4.812 -0.014 19811 6862 1 20 . 1 1 2 2 ASP CA C 2 54.249 54.249 54.349 -0.100 19811 6863 1 20 . 1 1 2 2 ASP CB C 2 42.163 42.163 42.672 -0.509 19811 6864 1 20 . 1 1 2 2 ASP H H 2 8.479 8.479 8.207 0.272 19811 6865 1 20 . 1 1 3 3 THR N N 3 109.876 109.876 112.391 -2.515 19811 6866 1 20 . 1 1 3 3 THR HA H 3 5.324 5.324 5.285 0.039 19811 6867 1 20 . 1 1 3 3 THR CA C 3 59.553 59.553 60.470 -0.917 19811 6868 1 20 . 1 1 3 3 THR CB C 3 72.235 72.235 70.432 1.803 19811 6869 1 20 . 1 1 3 3 THR H H 3 7.857 7.857 7.486 0.371 19811 6870 1 20 . 1 1 4 4 ILE N N 4 115.792 115.792 116.179 -0.387 19811 6871 1 20 . 1 1 4 4 ILE HA H 4 4.464 4.464 4.555 -0.091 19811 6872 1 20 . 1 1 4 4 ILE CA C 4 59.314 59.314 59.448 -0.134 19811 6873 1 20 . 1 1 4 4 ILE CB C 4 41.940 41.940 41.396 0.544 19811 6874 1 20 . 1 1 4 4 ILE H H 4 8.665 8.665 8.857 -0.192 19811 6875 1 20 . 1 1 5 5 ASN N N 5 119.913 119.913 119.316 0.597 19811 6876 1 20 . 1 1 5 5 ASN HA H 5 5.438 5.438 5.838 -0.400 19811 6877 1 20 . 1 1 5 5 ASN CA C 5 51.594 51.594 51.522 0.072 19811 6878 1 20 . 1 1 5 5 ASN CB C 5 41.031 41.031 41.480 -0.449 19811 6879 1 20 . 1 1 5 5 ASN H H 5 8.457 8.457 8.061 0.396 19811 6880 1 20 . 1 1 6 6 ILE N N 6 122.674 122.674 122.094 0.580 19811 6881 1 20 . 1 1 6 6 ILE HA H 6 5.035 5.035 4.562 0.473 19811 6882 1 20 . 1 1 6 6 ILE CA C 6 57.857 57.857 60.817 -2.960 19811 6883 1 20 . 1 1 6 6 ILE CB C 6 38.947 38.947 40.994 -2.047 19811 6884 1 20 . 1 1 6 6 ILE H H 6 9.426 9.426 8.501 0.925 19811 6885 1 20 . 1 1 7 7 THR N N 7 124.398 124.398 123.349 1.049 19811 6886 1 20 . 1 1 7 7 THR HA H 7 4.512 4.512 4.675 -0.163 19811 6887 1 20 . 1 1 7 7 THR CA C 7 62.639 62.639 61.978 0.661 19811 6888 1 20 . 1 1 7 7 THR CB C 7 69.074 69.074 69.459 -0.385 19811 6889 1 20 . 1 1 7 7 THR H H 7 9.152 9.152 9.135 0.017 19811 6890 1 20 . 1 1 8 8 LEU N N 8 127.909 127.909 125.952 1.957 19811 6891 1 20 . 1 1 8 8 LEU HA H 8 4.601 4.601 4.793 -0.192 19811 6892 1 20 . 1 1 8 8 LEU CA C 8 53.537 53.537 51.998 1.539 19811 6893 1 20 . 1 1 8 8 LEU CB C 8 39.928 39.928 43.220 -3.292 19811 6894 1 20 . 1 1 8 8 LEU H H 8 8.992 8.992 8.028 0.964 19811 6895 1 20 . 1 1 9 9 PRO HA H 9 4.419 4.419 4.410 0.009 19811 6896 1 20 . 1 1 9 9 PRO CA C 9 65.184 65.184 64.685 0.499 19811 6897 1 20 . 1 1 9 9 PRO CB C 9 31.999 31.999 31.756 0.243 19811 6898 1 20 . 1 1 10 10 ASP N N 10 113.521 113.521 117.273 -3.752 19811 6899 1 20 . 1 1 10 10 ASP HA H 10 4.490 4.490 4.653 -0.163 19811 6900 1 20 . 1 1 10 10 ASP CA C 10 53.129 53.129 54.498 -1.369 19811 6901 1 20 . 1 1 10 10 ASP CB C 10 39.986 39.986 41.076 -1.090 19811 6902 1 20 . 1 1 10 10 ASP H H 10 7.678 7.678 8.189 -0.511 19811 6903 1 20 . 1 1 11 11 GLY N N 11 108.658 108.658 106.849 1.809 19811 6904 1 20 . 1 1 11 11 GLY CA C 11 45.218 45.218 44.903 0.315 19811 6905 1 20 . 1 1 11 11 GLY H H 11 8.376 8.376 7.674 0.702 19811 6906 1 20 . 1 1 12 12 LYS N N 12 121.449 121.449 119.863 1.586 19811 6907 1 20 . 1 1 12 12 LYS HA H 12 4.331 4.331 4.634 -0.303 19811 6908 1 20 . 1 1 12 12 LYS CA C 12 56.660 56.660 55.190 1.470 19811 6909 1 20 . 1 1 12 12 LYS CB C 12 33.199 33.199 33.605 -0.406 19811 6910 1 20 . 1 1 12 12 LYS H H 12 7.766 7.766 7.855 -0.089 19811 6911 1 20 . 1 1 13 13 THR N N 13 113.928 113.928 113.227 0.701 19811 6912 1 20 . 1 1 13 13 THR HA H 13 5.193 5.193 5.482 -0.289 19811 6913 1 20 . 1 1 13 13 THR CA C 13 61.734 61.734 60.230 1.504 19811 6914 1 20 . 1 1 13 13 THR CB C 13 71.481 71.481 70.767 0.714 19811 6915 1 20 . 1 1 13 13 THR H H 13 8.248 8.248 8.288 -0.040 19811 6916 1 20 . 1 1 14 14 LEU N N 14 128.446 128.446 122.079 6.367 19811 6917 1 20 . 1 1 14 14 LEU HA H 14 4.739 4.739 4.760 -0.021 19811 6918 1 20 . 1 1 14 14 LEU CA C 14 53.403 53.403 54.076 -0.673 19811 6919 1 20 . 1 1 14 14 LEU CB C 14 45.480 45.480 46.610 -1.130 19811 6920 1 20 . 1 1 14 14 LEU H H 14 9.270 9.270 8.454 0.816 19811 6921 1 20 . 1 1 15 15 THR N N 15 123.048 123.048 117.862 5.186 19811 6922 1 20 . 1 1 15 15 THR HA H 15 5.191 5.191 5.171 0.020 19811 6923 1 20 . 1 1 15 15 THR CA C 15 61.986 61.986 61.416 0.570 19811 6924 1 20 . 1 1 15 15 THR CB C 15 70.339 70.339 69.814 0.525 19811 6925 1 20 . 1 1 15 15 THR H H 15 8.759 8.759 8.209 0.550 19811 6926 1 20 . 1 1 16 16 LEU N N 16 125.874 125.874 128.096 -2.222 19811 6927 1 20 . 1 1 16 16 LEU HA H 16 4.770 4.770 4.815 -0.045 19811 6928 1 20 . 1 1 16 16 LEU CA C 16 53.222 53.222 53.697 -0.475 19811 6929 1 20 . 1 1 16 16 LEU CB C 16 45.322 45.322 46.650 -1.328 19811 6930 1 20 . 1 1 16 16 LEU H H 16 8.551 8.551 8.574 -0.023 19811 6931 1 20 . 1 1 17 17 THR N N 17 117.080 117.080 116.726 0.354 19811 6932 1 20 . 1 1 17 17 THR HA H 17 4.629 4.629 5.074 -0.445 19811 6933 1 20 . 1 1 17 17 THR CA C 17 61.950 61.950 60.857 1.093 19811 6934 1 20 . 1 1 17 17 THR CB C 17 69.202 69.202 69.265 -0.063 19811 6935 1 20 . 1 1 17 17 THR H H 17 8.342 8.342 8.303 0.039 19811 6936 1 20 . 1 1 18 18 VAL N N 18 116.699 116.699 121.516 -4.817 19811 6937 1 20 . 1 1 18 18 VAL HA H 18 3.910 3.910 4.133 -0.223 19811 6938 1 20 . 1 1 18 18 VAL CA C 18 58.565 58.565 59.089 -0.524 19811 6939 1 20 . 1 1 18 18 VAL CB C 18 35.910 35.910 33.975 1.935 19811 6940 1 20 . 1 1 18 18 VAL H H 18 8.131 8.131 7.966 0.165 19811 6941 1 20 . 1 1 19 19 THR N N 19 110.389 110.389 107.405 2.984 19811 6942 1 20 . 1 1 19 19 THR HA H 19 4.807 4.807 4.896 -0.089 19811 6943 1 20 . 1 1 19 19 THR CA C 19 58.916 58.916 58.995 -0.079 19811 6944 1 20 . 1 1 19 19 THR CB C 19 68.674 68.674 70.161 -1.487 19811 6945 1 20 . 1 1 19 19 THR H H 19 6.219 6.219 7.720 -1.501 19811 6946 1 20 . 1 1 20 20 PRO HA H 20 4.382 4.382 4.407 -0.025 19811 6947 1 20 . 1 1 20 20 PRO CA C 20 65.110 65.110 64.755 0.354 19811 6948 1 20 . 1 1 20 20 PRO CB C 20 31.996 31.996 32.103 -0.107 19811 6949 1 20 . 1 1 21 21 GLU N N 21 113.087 113.087 115.279 -2.192 19811 6950 1 20 . 1 1 21 21 GLU HA H 21 4.350 4.350 4.303 0.047 19811 6951 1 20 . 1 1 21 21 GLU CA C 21 56.513 56.513 55.955 0.558 19811 6952 1 20 . 1 1 21 21 GLU CB C 21 29.153 29.153 29.702 -0.549 19811 6953 1 20 . 1 1 21 21 GLU H H 21 7.960 7.960 8.299 -0.339 19811 6954 1 20 . 1 1 22 22 PHE N N 22 123.828 123.828 119.449 4.379 19811 6955 1 20 . 1 1 22 22 PHE HA H 22 4.518 4.518 4.572 -0.054 19811 6956 1 20 . 1 1 22 22 PHE CA C 22 58.778 58.778 58.333 0.445 19811 6957 1 20 . 1 1 22 22 PHE CB C 22 40.224 40.224 40.316 -0.092 19811 6958 1 20 . 1 1 22 22 PHE H H 22 7.724 7.724 7.675 0.049 19811 6959 1 20 . 1 1 23 23 THR N N 23 114.031 114.031 113.882 0.149 19811 6960 1 20 . 1 1 23 23 THR HA H 23 4.791 4.791 4.442 0.349 19811 6961 1 20 . 1 1 23 23 THR CA C 23 60.340 60.340 60.777 -0.437 19811 6962 1 20 . 1 1 23 23 THR CB C 23 71.791 71.791 70.828 0.963 19811 6963 1 20 . 1 1 23 23 THR H H 23 8.504 8.504 8.138 0.366 19811 6964 1 20 . 1 1 24 24 VAL N N 24 122.541 122.541 120.383 2.158 19811 6965 1 20 . 1 1 24 24 VAL HA H 24 3.427 3.427 3.757 -0.330 19811 6966 1 20 . 1 1 24 24 VAL CA C 24 66.745 66.745 66.231 0.514 19811 6967 1 20 . 1 1 24 24 VAL CB C 24 30.735 30.735 30.762 -0.027 19811 6968 1 20 . 1 1 24 24 VAL H H 24 8.918 8.918 8.374 0.544 19811 6969 1 20 . 1 1 25 25 LYS N N 25 121.079 121.079 120.180 0.899 19811 6970 1 20 . 1 1 25 25 LYS HA H 25 3.912 3.912 4.041 -0.129 19811 6971 1 20 . 1 1 25 25 LYS CA C 25 59.950 59.950 59.620 0.330 19811 6972 1 20 . 1 1 25 25 LYS CB C 25 32.824 32.824 32.177 0.647 19811 6973 1 20 . 1 1 25 25 LYS H H 25 8.622 8.622 8.014 0.608 19811 6974 1 20 . 1 1 26 26 GLU N N 26 118.646 118.646 120.455 -1.809 19811 6975 1 20 . 1 1 26 26 GLU HA H 26 3.859 3.859 4.320 -0.461 19811 6976 1 20 . 1 1 26 26 GLU CA C 26 59.012 59.012 59.459 -0.447 19811 6977 1 20 . 1 1 26 26 GLU CB C 26 29.344 29.344 29.401 -0.057 19811 6978 1 20 . 1 1 26 26 GLU H H 26 7.734 7.734 7.516 0.218 19811 6979 1 20 . 1 1 27 27 LEU N N 27 122.155 122.155 120.844 1.311 19811 6980 1 20 . 1 1 27 27 LEU HA H 27 4.136 4.136 4.268 -0.132 19811 6981 1 20 . 1 1 27 27 LEU CA C 27 58.226 58.226 57.920 0.306 19811 6982 1 20 . 1 1 27 27 LEU CB C 27 41.986 41.986 42.134 -0.148 19811 6983 1 20 . 1 1 27 27 LEU H H 27 8.000 8.000 8.285 -0.285 19811 6984 1 20 . 1 1 28 28 ALA N N 28 121.362 121.362 120.149 1.213 19811 6985 1 20 . 1 1 28 28 ALA HA H 28 3.837 3.837 4.053 -0.216 19811 6986 1 20 . 1 1 28 28 ALA CA C 28 55.872 55.872 55.042 0.830 19811 6987 1 20 . 1 1 28 28 ALA CB C 28 17.902 17.902 18.250 -0.348 19811 6988 1 20 . 1 1 28 28 ALA H H 28 8.899 8.899 7.874 1.025 19811 6989 1 20 . 1 1 29 29 GLU N N 29 116.582 116.582 117.976 -1.394 19811 6990 1 20 . 1 1 29 29 GLU HA H 29 3.814 3.814 4.036 -0.222 19811 6991 1 20 . 1 1 29 29 GLU CA C 29 59.849 59.849 58.856 0.993 19811 6992 1 20 . 1 1 29 29 GLU CB C 29 29.185 29.185 29.149 0.035 19811 6993 1 20 . 1 1 29 29 GLU H H 29 8.437 8.437 8.007 0.430 19811 6994 1 20 . 1 1 30 30 GLU N N 30 121.430 121.430 120.468 0.962 19811 6995 1 20 . 1 1 30 30 GLU HA H 30 4.293 4.293 4.148 0.145 19811 6996 1 20 . 1 1 30 30 GLU CA C 30 58.829 58.829 59.078 -0.249 19811 6997 1 20 . 1 1 30 30 GLU CB C 30 28.720 28.720 29.935 -1.215 19811 6998 1 20 . 1 1 30 30 GLU H H 30 7.877 7.877 7.775 0.102 19811 6999 1 20 . 1 1 31 31 ILE N N 31 119.644 119.644 119.551 0.093 19811 7000 1 20 . 1 1 31 31 ILE HA H 31 3.289 3.289 3.874 -0.585 19811 7001 1 20 . 1 1 31 31 ILE CA C 31 65.937 65.937 63.277 2.660 19811 7002 1 20 . 1 1 31 31 ILE CB C 31 38.338 38.338 38.128 0.210 19811 7003 1 20 . 1 1 31 31 ILE H H 31 8.438 8.438 7.441 0.997 19811 7004 1 20 . 1 1 32 32 ALA N N 32 120.190 120.190 121.942 -1.752 19811 7005 1 20 . 1 1 32 32 ALA HA H 32 3.637 3.637 4.146 -0.509 19811 7006 1 20 . 1 1 32 32 ALA CA C 32 56.071 56.071 54.933 1.138 19811 7007 1 20 . 1 1 32 32 ALA CB C 32 17.287 17.287 18.317 -1.030 19811 7008 1 20 . 1 1 32 32 ALA H H 32 8.609 8.609 7.850 0.759 19811 7009 1 20 . 1 1 33 33 ARG N N 33 116.846 116.846 118.161 -1.315 19811 7010 1 20 . 1 1 33 33 ARG HA H 33 4.085 4.085 4.180 -0.095 19811 7011 1 20 . 1 1 33 33 ARG CA C 33 59.367 59.367 58.532 0.835 19811 7012 1 20 . 1 1 33 33 ARG CB C 33 30.575 30.575 30.482 0.093 19811 7013 1 20 . 1 1 33 33 ARG H H 33 7.817 7.817 7.758 0.059 19811 7014 1 20 . 1 1 34 34 ARG N N 34 118.212 118.212 119.382 -1.170 19811 7015 1 20 . 1 1 34 34 ARG HA H 34 4.078 4.078 4.160 -0.082 19811 7016 1 20 . 1 1 34 34 ARG CA C 34 58.321 58.321 58.554 -0.233 19811 7017 1 20 . 1 1 34 34 ARG CB C 34 29.771 29.771 30.426 -0.655 19811 7018 1 20 . 1 1 34 34 ARG H H 34 7.922 7.922 7.705 0.217 19811 7019 1 20 . 1 1 35 35 LEU N N 35 115.523 115.523 116.762 -1.239 19811 7020 1 20 . 1 1 35 35 LEU HA H 35 4.426 4.426 4.510 -0.084 19811 7021 1 20 . 1 1 35 35 LEU CA C 35 54.601 54.601 55.089 -0.488 19811 7022 1 20 . 1 1 35 35 LEU CB C 35 42.895 42.895 43.260 -0.365 19811 7023 1 20 . 1 1 35 35 LEU H H 35 7.999 7.999 7.447 0.552 19811 7024 1 20 . 1 1 36 36 GLY N N 36 110.277 110.277 107.627 2.650 19811 7025 1 20 . 1 1 36 36 GLY CA C 36 46.906 46.906 45.051 1.855 19811 7026 1 20 . 1 1 36 36 GLY H H 36 7.864 7.864 7.755 0.109 19811 7027 1 20 . 1 1 37 37 LEU N N 37 119.310 119.310 120.344 -1.034 19811 7028 1 20 . 1 1 37 37 LEU HA H 37 4.691 4.691 4.929 -0.238 19811 7029 1 20 . 1 1 37 37 LEU CA C 37 52.642 52.642 52.772 -0.130 19811 7030 1 20 . 1 1 37 37 LEU CB C 37 45.355 45.355 44.804 0.551 19811 7031 1 20 . 1 1 37 37 LEU H H 37 8.025 8.025 8.363 -0.338 19811 7032 1 20 . 1 1 38 38 SER N N 38 115.906 115.906 114.299 1.607 19811 7033 1 20 . 1 1 38 38 SER HA H 38 4.955 4.955 4.967 -0.012 19811 7034 1 20 . 1 1 38 38 SER CA C 38 55.376 55.376 55.573 -0.197 19811 7035 1 20 . 1 1 38 38 SER CB C 38 63.732 63.732 63.254 0.478 19811 7036 1 20 . 1 1 38 38 SER H H 38 8.662 8.662 8.254 0.408 19811 7037 1 20 . 1 1 39 39 PRO HA H 39 3.976 3.976 4.285 -0.309 19811 7038 1 20 . 1 1 39 39 PRO CA C 39 65.434 65.434 64.336 1.098 19811 7039 1 20 . 1 1 39 39 PRO CB C 39 31.527 31.527 31.968 -0.441 19811 7040 1 20 . 1 1 40 40 GLU N N 40 115.609 115.609 114.887 0.722 19811 7041 1 20 . 1 1 40 40 GLU HA H 40 4.115 4.115 4.163 -0.048 19811 7042 1 20 . 1 1 40 40 GLU CA C 40 57.861 57.861 57.266 0.595 19811 7043 1 20 . 1 1 40 40 GLU CB C 40 28.842 28.842 29.611 -0.770 19811 7044 1 20 . 1 1 40 40 GLU H H 40 8.455 8.455 8.349 0.106 19811 7045 1 20 . 1 1 41 41 ASP N N 41 118.239 118.239 118.091 0.148 19811 7046 1 20 . 1 1 41 41 ASP HA H 41 4.711 4.711 4.756 -0.045 19811 7047 1 20 . 1 1 41 41 ASP CA C 41 54.862 54.862 55.913 -1.051 19811 7048 1 20 . 1 1 41 41 ASP CB C 41 41.920 41.920 42.661 -0.741 19811 7049 1 20 . 1 1 41 41 ASP H H 41 7.814 7.814 7.734 0.080 19811 7050 1 20 . 1 1 42 42 ILE N N 42 116.579 116.579 120.071 -3.492 19811 7051 1 20 . 1 1 42 42 ILE HA H 42 4.305 4.305 4.645 -0.340 19811 7052 1 20 . 1 1 42 42 ILE CA C 42 60.232 60.232 61.181 -0.949 19811 7053 1 20 . 1 1 42 42 ILE CB C 42 39.070 39.070 38.059 1.012 19811 7054 1 20 . 1 1 42 42 ILE H H 42 7.069 7.069 7.302 -0.233 19811 7055 1 20 . 1 1 43 43 LYS N N 43 128.374 128.374 127.732 0.642 19811 7056 1 20 . 1 1 43 43 LYS HA H 43 4.489 4.489 4.621 -0.132 19811 7057 1 20 . 1 1 43 43 LYS CA C 43 54.924 54.924 54.822 0.103 19811 7058 1 20 . 1 1 43 43 LYS CB C 43 35.322 35.322 35.880 -0.558 19811 7059 1 20 . 1 1 43 43 LYS H H 43 8.709 8.709 8.645 0.064 19811 7060 1 20 . 1 1 44 44 LEU N N 44 126.700 126.700 127.296 -0.596 19811 7061 1 20 . 1 1 44 44 LEU HA H 44 5.368 5.368 4.558 0.810 19811 7062 1 20 . 1 1 44 44 LEU CA C 44 52.839 52.839 54.966 -2.127 19811 7063 1 20 . 1 1 44 44 LEU CB C 44 44.529 44.529 42.706 1.823 19811 7064 1 20 . 1 1 44 44 LEU H H 44 8.929 8.929 8.922 0.007 19811 7065 1 20 . 1 1 45 45 THR N N 45 112.945 112.945 120.702 -7.757 19811 7066 1 20 . 1 1 45 45 THR HA H 45 5.282 5.282 5.071 0.211 19811 7067 1 20 . 1 1 45 45 THR CA C 45 59.240 59.240 61.082 -1.842 19811 7068 1 20 . 1 1 45 45 THR CB C 45 72.146 72.146 70.075 2.071 19811 7069 1 20 . 1 1 45 45 THR H H 45 8.846 8.846 8.276 0.570 19811 7070 1 20 . 1 1 46 46 HIS N N 46 120.347 120.347 125.260 -4.913 19811 7071 1 20 . 1 1 46 46 HIS HA H 46 4.956 4.956 4.857 0.099 19811 7072 1 20 . 1 1 46 46 HIS CA C 46 55.757 55.757 55.492 0.265 19811 7073 1 20 . 1 1 46 46 HIS CB C 46 34.673 34.673 32.525 2.148 19811 7074 1 20 . 1 1 46 46 HIS H H 46 8.620 8.620 9.164 -0.544 19811 7075 1 20 . 1 1 47 47 ASN N N 47 128.187 128.187 126.204 1.983 19811 7076 1 20 . 1 1 47 47 ASN HA H 47 4.178 4.178 4.273 -0.095 19811 7077 1 20 . 1 1 47 47 ASN CA C 47 53.481 53.481 53.823 -0.342 19811 7078 1 20 . 1 1 47 47 ASN CB C 47 36.888 36.888 37.510 -0.622 19811 7079 1 20 . 1 1 47 47 ASN H H 47 9.136 9.136 9.242 -0.106 19811 7080 1 20 . 1 1 48 48 GLY N N 48 103.028 103.028 103.644 -0.616 19811 7081 1 20 . 1 1 48 48 GLY CA C 48 45.279 45.279 45.134 0.145 19811 7082 1 20 . 1 1 48 48 GLY H H 48 8.633 8.633 8.554 0.079 19811 7083 1 20 . 1 1 49 49 LYS N N 49 121.730 121.730 122.579 -0.849 19811 7084 1 20 . 1 1 49 49 LYS HA H 49 4.572 4.572 4.651 -0.079 19811 7085 1 20 . 1 1 49 49 LYS CA C 49 54.677 54.677 55.282 -0.605 19811 7086 1 20 . 1 1 49 49 LYS CB C 49 33.823 33.823 34.156 -0.333 19811 7087 1 20 . 1 1 49 49 LYS H H 49 7.790 7.790 7.671 0.119 19811 7088 1 20 . 1 1 50 50 THR N N 50 121.190 121.190 113.945 7.245 19811 7089 1 20 . 1 1 50 50 THR HA H 50 4.254 4.254 5.221 -0.967 19811 7090 1 20 . 1 1 50 50 THR CA C 50 63.304 63.304 60.723 2.581 19811 7091 1 20 . 1 1 50 50 THR CB C 50 68.732 68.732 70.059 -1.327 19811 7092 1 20 . 1 1 50 50 THR H H 50 8.735 8.735 8.350 0.385 19811 7093 1 20 . 1 1 51 51 LEU N N 51 127.406 127.406 123.213 4.193 19811 7094 1 20 . 1 1 51 51 LEU HA H 51 3.973 3.973 4.278 -0.305 19811 7095 1 20 . 1 1 51 51 LEU CA C 51 54.125 54.125 54.010 0.115 19811 7096 1 20 . 1 1 51 51 LEU CB C 51 41.715 41.715 43.789 -2.074 19811 7097 1 20 . 1 1 51 51 LEU H H 51 8.586 8.586 8.313 0.273 19811 7098 1 20 . 1 1 52 52 ASP N N 52 126.711 126.711 124.848 1.863 19811 7099 1 20 . 1 1 52 52 ASP HA H 52 4.840 4.840 4.938 -0.098 19811 7100 1 20 . 1 1 52 52 ASP CA C 52 51.377 51.377 52.503 -1.126 19811 7101 1 20 . 1 1 52 52 ASP CB C 52 43.019 43.019 42.428 0.591 19811 7102 1 20 . 1 1 52 52 ASP H H 52 8.974 8.974 7.935 1.039 19811 7103 1 20 . 1 1 53 53 PRO HA H 53 4.095 4.095 4.452 -0.357 19811 7104 1 20 . 1 1 53 53 PRO CA C 53 64.240 64.240 64.407 -0.167 19811 7105 1 20 . 1 1 53 53 PRO CB C 53 33.077 33.077 32.184 0.893 19811 7106 1 20 . 1 1 54 54 SER N N 54 110.024 110.024 113.547 -3.523 19811 7107 1 20 . 1 1 54 54 SER HA H 54 4.330 4.330 4.281 0.049 19811 7108 1 20 . 1 1 54 54 SER CA C 54 59.971 59.971 59.877 0.094 19811 7109 1 20 . 1 1 54 54 SER CB C 54 63.881 63.881 63.112 0.769 19811 7110 1 20 . 1 1 54 54 SER H H 54 8.643 8.643 8.466 0.177 19811 7111 1 20 . 1 1 55 55 LEU N N 55 123.514 123.514 121.014 2.500 19811 7112 1 20 . 1 1 55 55 LEU HA H 55 4.645 4.645 4.557 0.088 19811 7113 1 20 . 1 1 55 55 LEU CA C 55 50.579 50.579 54.319 -3.740 19811 7114 1 20 . 1 1 55 55 LEU CB C 55 43.928 43.928 42.943 0.985 19811 7115 1 20 . 1 1 55 55 LEU H H 55 7.722 7.722 7.395 0.327 19811 7116 1 20 . 1 1 56 56 THR N N 56 107.845 107.845 109.500 -1.655 19811 7117 1 20 . 1 1 56 56 THR HA H 56 4.921 4.921 4.600 0.321 19811 7118 1 20 . 1 1 56 56 THR CA C 56 60.266 60.266 60.616 -0.350 19811 7119 1 20 . 1 1 56 56 THR CB C 56 71.553 71.553 70.904 0.649 19811 7120 1 20 . 1 1 56 56 THR H H 56 8.335 8.335 7.992 0.343 19811 7121 1 20 . 1 1 57 57 LEU N N 57 118.354 118.354 120.600 -2.246 19811 7122 1 20 . 1 1 57 57 LEU HA H 57 3.992 3.992 4.535 -0.543 19811 7123 1 20 . 1 1 57 57 LEU CA C 57 58.658 58.658 57.309 1.349 19811 7124 1 20 . 1 1 57 57 LEU CB C 57 39.774 39.774 42.217 -2.443 19811 7125 1 20 . 1 1 57 57 LEU H H 57 8.117 8.117 8.797 -0.680 19811 7126 1 20 . 1 1 58 58 ALA N N 58 120.467 120.467 119.435 1.032 19811 7127 1 20 . 1 1 58 58 ALA HA H 58 4.075 4.075 4.206 -0.131 19811 7128 1 20 . 1 1 58 58 ALA CA C 58 55.047 55.047 53.863 1.184 19811 7129 1 20 . 1 1 58 58 ALA CB C 58 18.267 18.267 18.391 -0.124 19811 7130 1 20 . 1 1 58 58 ALA H H 58 8.730 8.730 8.416 0.314 19811 7131 1 20 . 1 1 59 59 GLU N N 59 119.907 119.907 117.552 2.355 19811 7132 1 20 . 1 1 59 59 GLU HA H 59 3.935 3.935 4.181 -0.246 19811 7133 1 20 . 1 1 59 59 GLU CA C 59 58.914 58.914 57.602 1.312 19811 7134 1 20 . 1 1 59 59 GLU CB C 59 29.623 29.623 29.809 -0.186 19811 7135 1 20 . 1 1 59 59 GLU H H 59 7.890 7.890 8.410 -0.520 19811 7136 1 20 . 1 1 60 60 TYR N N 60 116.582 116.582 119.025 -2.443 19811 7137 1 20 . 1 1 60 60 TYR HA H 60 4.554 4.554 4.482 0.072 19811 7138 1 20 . 1 1 60 60 TYR CA C 60 59.463 59.463 58.397 1.066 19811 7139 1 20 . 1 1 60 60 TYR CB C 60 40.288 40.288 39.541 0.747 19811 7140 1 20 . 1 1 60 60 TYR H H 60 7.448 7.448 7.650 -0.202 19811 7141 1 20 . 1 1 61 61 GLY N N 61 109.141 109.141 108.439 0.702 19811 7142 1 20 . 1 1 61 61 GLY CA C 61 46.380 46.380 45.009 1.371 19811 7143 1 20 . 1 1 61 61 GLY H H 61 8.067 8.067 7.798 0.269 19811 7144 1 20 . 1 1 62 62 ILE N N 62 120.506 120.506 121.088 -0.582 19811 7145 1 20 . 1 1 62 62 ILE HA H 62 3.614 3.614 4.496 -0.882 19811 7146 1 20 . 1 1 62 62 ILE CA C 62 61.392 61.392 60.733 0.658 19811 7147 1 20 . 1 1 62 62 ILE CB C 62 36.445 36.445 38.924 -2.479 19811 7148 1 20 . 1 1 62 62 ILE H H 62 7.416 7.416 7.558 -0.142 19811 7149 1 20 . 1 1 63 63 THR N N 63 117.984 117.984 116.991 0.993 19811 7150 1 20 . 1 1 63 63 THR HA H 63 4.528 4.528 4.833 -0.305 19811 7151 1 20 . 1 1 63 63 THR CA C 63 58.942 58.942 58.629 0.313 19811 7152 1 20 . 1 1 63 63 THR CB C 63 68.304 68.304 69.261 -0.957 19811 7153 1 20 . 1 1 63 63 THR H H 63 7.408 7.408 8.223 -0.815 19811 7154 1 20 . 1 1 64 64 PRO HA H 64 4.237 4.237 4.305 -0.068 19811 7155 1 20 . 1 1 64 64 PRO CA C 64 64.568 64.568 62.993 1.575 19811 7156 1 20 . 1 1 64 64 PRO CB C 64 31.861 31.861 31.890 -0.029 19811 7157 1 20 . 1 1 65 65 GLY N N 65 112.539 112.539 110.823 1.716 19811 7158 1 20 . 1 1 65 65 GLY CA C 65 44.719 44.719 44.976 -0.257 19811 7159 1 20 . 1 1 65 65 GLY H H 65 9.286 9.286 8.240 1.046 19811 7160 1 20 . 1 1 66 66 SER N N 66 116.523 116.523 116.483 0.040 19811 7161 1 20 . 1 1 66 66 SER HA H 66 4.535 4.535 4.787 -0.252 19811 7162 1 20 . 1 1 66 66 SER CA C 66 60.415 60.415 57.868 2.547 19811 7163 1 20 . 1 1 66 66 SER CB C 66 64.604 64.604 65.519 -0.915 19811 7164 1 20 . 1 1 66 66 SER H H 66 7.822 7.822 7.970 -0.148 19811 7165 1 20 . 1 1 67 67 THR N N 67 118.238 118.238 115.160 3.078 19811 7166 1 20 . 1 1 67 67 THR HA H 67 5.342 5.342 4.431 0.911 19811 7167 1 20 . 1 1 67 67 THR CA C 67 62.059 62.059 61.913 0.146 19811 7168 1 20 . 1 1 67 67 THR CB C 67 70.858 70.858 69.044 1.814 19811 7169 1 20 . 1 1 67 67 THR H H 67 8.715 8.715 8.424 0.291 19811 7170 1 20 . 1 1 68 68 ILE N N 68 126.891 126.891 127.856 -0.965 19811 7171 1 20 . 1 1 68 68 ILE HA H 68 4.761 4.761 4.457 0.304 19811 7172 1 20 . 1 1 68 68 ILE CA C 68 59.434 59.434 60.612 -1.178 19811 7173 1 20 . 1 1 68 68 ILE CB C 68 40.783 40.783 39.493 1.290 19811 7174 1 20 . 1 1 68 68 ILE H H 68 9.097 9.097 8.136 0.961 19811 7175 1 20 . 1 1 69 69 THR N N 69 120.333 120.333 119.744 0.589 19811 7176 1 20 . 1 1 69 69 THR HA H 69 4.566 4.566 4.856 -0.290 19811 7177 1 20 . 1 1 69 69 THR CA C 69 63.014 63.014 60.696 2.318 19811 7178 1 20 . 1 1 69 69 THR CB C 69 70.043 70.043 69.920 0.123 19811 7179 1 20 . 1 1 69 69 THR H H 69 8.903 8.903 8.304 0.599 19811 7180 1 20 . 1 1 70 70 LEU N N 70 126.490 126.490 122.174 4.316 19811 7181 1 20 . 1 1 70 70 LEU HA H 70 4.984 4.984 5.438 -0.454 19811 7182 1 20 . 1 1 70 70 LEU CA C 70 54.088 54.088 52.992 1.096 19811 7183 1 20 . 1 1 70 70 LEU CB C 70 44.772 44.772 44.597 0.175 19811 7184 1 20 . 1 1 70 70 LEU H H 70 8.191 8.191 7.800 0.391 19811 7185 1 20 . 1 1 71 71 GLU N N 71 125.912 125.912 119.883 6.029 19811 7186 1 20 . 1 1 71 71 GLU HA H 71 4.505 4.505 4.723 -0.218 19811 7187 1 20 . 1 1 71 71 GLU CA C 71 54.828 54.828 55.632 -0.804 19811 7188 1 20 . 1 1 71 71 GLU CB C 71 33.391 33.391 33.352 0.039 19811 7189 1 20 . 1 1 71 71 GLU H H 71 9.089 9.089 8.183 0.906 19811 7190 1 20 . 1 1 72 72 ILE N N 72 123.229 123.229 122.594 0.635 19811 7191 1 20 . 1 1 72 72 ILE HA H 72 4.570 4.570 4.897 -0.327 19811 7192 1 20 . 1 1 72 72 ILE CA C 72 59.629 59.629 59.701 -0.072 19811 7193 1 20 . 1 1 72 72 ILE CB C 72 38.376 38.376 41.022 -2.646 19811 7194 1 20 . 1 1 72 72 ILE H H 72 8.526 8.526 8.490 0.036 19811 7195 1 20 . 1 1 73 73 LYS N N 73 129.392 129.392 126.093 3.299 19811 7196 1 20 . 1 1 73 73 LYS HA H 73 4.178 4.178 4.657 -0.479 19811 7197 1 20 . 1 1 73 73 LYS CA C 73 56.564 56.564 55.646 0.918 19811 7198 1 20 . 1 1 73 73 LYS CB C 73 33.320 33.320 33.483 -0.163 19811 7199 1 20 . 1 1 73 73 LYS H H 73 8.837 8.837 8.361 0.476 19811 7200 1 20 . 1 1 74 74 LYS N N 74 123.476 123.476 122.456 1.020 19811 7201 1 20 . 1 1 74 74 LYS HA H 74 4.255 4.255 4.342 -0.087 19811 7202 1 20 . 1 1 74 74 LYS CA C 74 56.000 56.000 56.689 -0.689 19811 7203 1 20 . 1 1 74 74 LYS CB C 74 33.223 33.223 33.350 -0.127 19811 7204 1 20 . 1 1 74 74 LYS H H 74 8.266 8.266 8.554 -0.288 19811 7205 1 20 . 1 1 75 75 LYS N N 75 124.450 124.450 120.438 4.012 19811 7206 1 20 . 1 1 75 75 LYS HA H 75 4.245 4.245 4.505 -0.260 19811 7207 1 20 . 1 1 75 75 LYS CA C 75 56.677 56.677 55.663 1.014 19811 7208 1 20 . 1 1 75 75 LYS CB C 75 32.876 32.876 34.334 -1.458 19811 7209 1 20 . 1 1 75 75 LYS H H 75 8.572 8.572 7.963 0.609 19811 7210 1 20 . 1 1 76 76 GLY N N 76 110.666 110.666 108.345 2.321 19811 7211 1 20 . 1 1 76 76 GLY CA C 76 45.330 45.330 45.068 0.262 19811 7212 1 20 . 1 1 76 76 GLY H H 76 8.549 8.549 8.205 0.344 19811 7213 1 20 . 1 1 77 77 GLY N N 77 108.740 108.740 108.649 0.091 19811 7214 1 20 . 1 1 77 77 GLY CA C 77 45.300 45.300 45.260 0.040 19811 7215 1 20 . 1 1 77 77 GLY H H 77 8.332 8.332 8.219 0.113 19811 7216 1 20 . 1 1 78 78 LEU N N 78 121.371 121.371 123.838 -2.467 19811 7217 1 20 . 1 1 78 78 LEU HA H 78 4.263 4.263 4.531 -0.268 19811 7218 1 20 . 1 1 78 78 LEU CA C 78 55.127 55.127 55.587 -0.460 19811 7219 1 20 . 1 1 78 78 LEU CB C 78 42.290 42.290 43.023 -0.733 19811 7220 1 20 . 1 1 78 78 LEU H H 78 8.165 8.165 8.520 -0.355 19811 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 72 2.619 -0.359 2.612 19811 2 1 1 "Average Difference" HA 84 0.317 0.077 0.309 19811 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19811 4 1 1 "Average Difference" CA 77 1.075 -0.244 1.054 19811 5 1 1 "Average Difference" CB 70 1.079 0.111 1.081 19811 6 1 1 "Average Difference" HN 72 0.503 -0.163 0.479 19811 7 1 2 "Average Difference" N 72 2.302 -0.421 2.279 19811 8 1 2 "Average Difference" HA 84 0.359 0.080 0.352 19811 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19811 10 1 2 "Average Difference" CA 77 1.182 -0.229 1.168 19811 11 1 2 "Average Difference" CB 70 1.114 0.246 1.094 19811 12 1 2 "Average Difference" HN 72 0.545 -0.210 0.507 19811 13 1 3 "Average Difference" N 72 2.533 -0.385 2.522 19811 14 1 3 "Average Difference" HA 84 0.331 0.062 0.328 19811 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19811 16 1 3 "Average Difference" CA 77 1.102 -0.170 1.096 19811 17 1 3 "Average Difference" CB 70 1.064 0.218 1.049 19811 18 1 3 "Average Difference" HN 72 0.503 -0.175 0.475 19811 19 1 4 "Average Difference" N 72 2.885 -0.559 2.851 19811 20 1 4 "Average Difference" HA 84 0.323 0.072 0.317 19811 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19811 22 1 4 "Average Difference" CA 77 1.112 -0.239 1.093 19811 23 1 4 "Average Difference" CB 70 1.081 0.076 1.087 19811 24 1 4 "Average Difference" HN 72 0.518 -0.215 0.475 19811 25 1 5 "Average Difference" N 72 2.558 -0.381 2.547 19811 26 1 5 "Average Difference" HA 84 0.317 0.043 0.316 19811 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19811 28 1 5 "Average Difference" CA 77 1.044 -0.233 1.024 19811 29 1 5 "Average Difference" CB 70 1.087 0.155 1.084 19811 30 1 5 "Average Difference" HN 72 0.518 -0.225 0.469 19811 31 1 6 "Average Difference" N 72 2.783 -0.487 2.759 19811 32 1 6 "Average Difference" HA 84 0.328 0.078 0.320 19811 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19811 34 1 6 "Average Difference" CA 77 1.101 -0.185 1.093 19811 35 1 6 "Average Difference" CB 70 1.043 0.151 1.039 19811 36 1 6 "Average Difference" HN 72 0.512 -0.215 0.468 19811 37 1 7 "Average Difference" N 72 2.572 -0.419 2.556 19811 38 1 7 "Average Difference" HA 84 0.324 0.080 0.316 19811 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19811 40 1 7 "Average Difference" CA 77 1.129 -0.263 1.105 19811 41 1 7 "Average Difference" CB 70 1.040 0.186 1.030 19811 42 1 7 "Average Difference" HN 72 0.522 -0.210 0.481 19811 43 1 8 "Average Difference" N 72 2.676 -0.519 2.644 19811 44 1 8 "Average Difference" HA 84 0.345 0.074 0.339 19811 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19811 46 1 8 "Average Difference" CA 77 1.152 -0.170 1.147 19811 47 1 8 "Average Difference" CB 70 1.007 0.107 1.008 19811 48 1 8 "Average Difference" HN 72 0.526 -0.207 0.487 19811 49 1 9 "Average Difference" N 72 2.873 -0.699 2.806 19811 50 1 9 "Average Difference" HA 84 0.331 0.088 0.321 19811 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19811 52 1 9 "Average Difference" CA 77 1.160 -0.292 1.130 19811 53 1 9 "Average Difference" CB 70 1.147 0.051 1.154 19811 54 1 9 "Average Difference" HN 72 0.529 -0.219 0.485 19811 55 1 10 "Average Difference" N 72 2.731 -0.652 2.671 19811 56 1 10 "Average Difference" HA 84 0.332 0.078 0.324 19811 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19811 58 1 10 "Average Difference" CA 77 1.300 -0.311 1.271 19811 59 1 10 "Average Difference" CB 70 1.079 0.207 1.067 19811 60 1 10 "Average Difference" HN 72 0.514 -0.223 0.467 19811 61 1 11 "Average Difference" N 72 2.855 -0.513 2.828 19811 62 1 11 "Average Difference" HA 84 0.318 0.058 0.315 19811 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19811 64 1 11 "Average Difference" CA 77 1.212 -0.158 1.210 19811 65 1 11 "Average Difference" CB 70 1.104 0.146 1.103 19811 66 1 11 "Average Difference" HN 72 0.508 -0.206 0.468 19811 67 1 12 "Average Difference" N 72 2.701 -0.161 2.716 19811 68 1 12 "Average Difference" HA 84 0.326 0.053 0.324 19811 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19811 70 1 12 "Average Difference" CA 77 1.117 -0.122 1.117 19811 71 1 12 "Average Difference" CB 70 0.964 0.115 0.964 19811 72 1 12 "Average Difference" HN 72 0.550 -0.236 0.501 19811 73 1 13 "Average Difference" N 72 2.547 -0.421 2.529 19811 74 1 13 "Average Difference" HA 84 0.325 0.074 0.318 19811 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19811 76 1 13 "Average Difference" CA 77 1.133 -0.238 1.115 19811 77 1 13 "Average Difference" CB 70 1.125 0.170 1.120 19811 78 1 13 "Average Difference" HN 72 0.490 -0.186 0.456 19811 79 1 14 "Average Difference" N 72 2.644 -0.405 2.631 19811 80 1 14 "Average Difference" HA 84 0.318 0.072 0.312 19811 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19811 82 1 14 "Average Difference" CA 77 1.174 -0.174 1.168 19811 83 1 14 "Average Difference" CB 70 1.019 0.138 1.017 19811 84 1 14 "Average Difference" HN 72 0.482 -0.194 0.444 19811 85 1 15 "Average Difference" N 72 2.541 -0.515 2.506 19811 86 1 15 "Average Difference" HA 84 0.343 0.044 0.342 19811 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19811 88 1 15 "Average Difference" CA 77 1.265 -0.265 1.245 19811 89 1 15 "Average Difference" CB 70 1.048 0.176 1.040 19811 90 1 15 "Average Difference" HN 72 0.534 -0.239 0.481 19811 91 1 16 "Average Difference" N 72 2.545 -0.533 2.506 19811 92 1 16 "Average Difference" HA 84 0.340 0.056 0.338 19811 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19811 94 1 16 "Average Difference" CA 77 1.171 -0.207 1.160 19811 95 1 16 "Average Difference" CB 70 0.991 0.148 0.987 19811 96 1 16 "Average Difference" HN 72 0.537 -0.194 0.504 19811 97 1 17 "Average Difference" N 72 2.830 -0.541 2.797 19811 98 1 17 "Average Difference" HA 84 0.327 0.066 0.322 19811 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19811 100 1 17 "Average Difference" CA 77 1.279 -0.326 1.244 19811 101 1 17 "Average Difference" CB 70 1.024 0.201 1.011 19811 102 1 17 "Average Difference" HN 72 0.490 -0.208 0.447 19811 103 1 18 "Average Difference" N 72 2.591 -0.525 2.555 19811 104 1 18 "Average Difference" HA 84 0.344 0.087 0.335 19811 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19811 106 1 18 "Average Difference" CA 77 1.126 -0.222 1.111 19811 107 1 18 "Average Difference" CB 70 0.943 0.023 0.950 19811 108 1 18 "Average Difference" HN 72 0.504 -0.166 0.479 19811 109 1 19 "Average Difference" N 72 2.838 -0.471 2.818 19811 110 1 19 "Average Difference" HA 84 0.321 0.068 0.316 19811 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19811 112 1 19 "Average Difference" CA 77 1.105 -0.267 1.079 19811 113 1 19 "Average Difference" CB 70 1.071 0.103 1.073 19811 114 1 19 "Average Difference" HN 72 0.493 -0.188 0.459 19811 115 1 20 "Average Difference" N 72 2.750 -0.519 2.720 19811 116 1 20 "Average Difference" HA 84 0.327 0.078 0.320 19811 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19811 118 1 20 "Average Difference" CA 77 1.143 -0.202 1.132 19811 119 1 20 "Average Difference" CB 70 1.132 0.172 1.127 19811 120 1 20 "Average Difference" HN 72 0.514 -0.198 0.478 19811 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 19811 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ASP N N 2 121.707 121.707 117.339 4.368 19811 2 1 . 1 1 2 2 ASP HA H 2 4.798 4.798 4.833 -0.035 19811 3 1 . 1 1 2 2 ASP CA C 2 54.249 54.249 54.496 -0.247 19811 4 1 . 1 1 2 2 ASP CB C 2 42.163 42.163 42.887 -0.724 19811 5 1 . 1 1 2 2 ASP H H 2 8.479 8.479 8.371 0.108 19811 6 1 . 1 1 3 3 THR N N 3 109.876 109.876 112.053 -2.177 19811 7 1 . 1 1 3 3 THR HA H 3 5.324 5.324 5.319 0.005 19811 8 1 . 1 1 3 3 THR CA C 3 59.553 59.553 60.563 -1.010 19811 9 1 . 1 1 3 3 THR CB C 3 72.235 72.235 70.683 1.552 19811 10 1 . 1 1 3 3 THR H H 3 7.857 7.857 7.578 0.279 19811 11 1 . 1 1 4 4 ILE N N 4 115.792 115.792 116.454 -0.662 19811 12 1 . 1 1 4 4 ILE HA H 4 4.464 4.464 4.594 -0.130 19811 13 1 . 1 1 4 4 ILE CA C 4 59.314 59.314 59.378 -0.064 19811 14 1 . 1 1 4 4 ILE CB C 4 41.940 41.940 41.322 0.618 19811 15 1 . 1 1 4 4 ILE H H 4 8.665 8.665 8.745 -0.080 19811 16 1 . 1 1 5 5 ASN N N 5 119.913 119.913 119.708 0.205 19811 17 1 . 1 1 5 5 ASN HA H 5 5.438 5.438 5.730 -0.292 19811 18 1 . 1 1 5 5 ASN CA C 5 51.594 51.594 51.681 -0.087 19811 19 1 . 1 1 5 5 ASN CB C 5 41.031 41.031 41.269 -0.238 19811 20 1 . 1 1 5 5 ASN H H 5 8.457 8.457 8.100 0.357 19811 21 1 . 1 1 6 6 ILE N N 6 122.674 122.674 123.079 -0.405 19811 22 1 . 1 1 6 6 ILE HA H 6 5.035 5.035 4.503 0.532 19811 23 1 . 1 1 6 6 ILE CA C 6 57.857 57.857 60.147 -2.290 19811 24 1 . 1 1 6 6 ILE CB C 6 38.947 38.947 39.496 -0.549 19811 25 1 . 1 1 6 6 ILE H H 6 9.426 9.426 8.547 0.879 19811 26 1 . 1 1 7 7 THR N N 7 124.398 124.398 123.699 0.699 19811 27 1 . 1 1 7 7 THR HA H 7 4.512 4.512 4.739 -0.227 19811 28 1 . 1 1 7 7 THR CA C 7 62.639 62.639 61.873 0.766 19811 29 1 . 1 1 7 7 THR CB C 7 69.074 69.074 69.250 -0.176 19811 30 1 . 1 1 7 7 THR H H 7 9.152 9.152 8.794 0.358 19811 31 1 . 1 1 8 8 LEU N N 8 127.909 127.909 126.101 1.808 19811 32 1 . 1 1 8 8 LEU HA H 8 4.601 4.601 4.838 -0.237 19811 33 1 . 1 1 8 8 LEU CA C 8 53.537 53.537 51.928 1.609 19811 34 1 . 1 1 8 8 LEU CB C 8 39.928 39.928 42.960 -3.032 19811 35 1 . 1 1 8 8 LEU H H 8 8.992 8.992 7.942 1.049 19811 36 1 . 1 1 9 9 PRO HA H 9 4.419 4.419 4.361 0.059 19811 37 1 . 1 1 9 9 PRO CA C 9 65.184 65.184 64.968 0.216 19811 38 1 . 1 1 9 9 PRO CB C 9 31.999 31.999 31.668 0.331 19811 39 1 . 1 1 10 10 ASP N N 10 113.521 113.521 117.039 -3.518 19811 40 1 . 1 1 10 10 ASP HA H 10 4.490 4.490 4.613 -0.123 19811 41 1 . 1 1 10 10 ASP CA C 10 53.129 53.129 54.468 -1.339 19811 42 1 . 1 1 10 10 ASP CB C 10 39.986 39.986 41.071 -1.085 19811 43 1 . 1 1 10 10 ASP H H 10 7.678 7.678 8.140 -0.462 19811 44 1 . 1 1 11 11 GLY N N 11 108.658 108.658 107.139 1.519 19811 45 1 . 1 1 11 11 GLY CA C 11 45.218 45.218 44.929 0.289 19811 46 1 . 1 1 11 11 GLY H H 11 8.376 8.376 7.757 0.619 19811 47 1 . 1 1 12 12 LYS N N 12 121.449 121.449 119.796 1.653 19811 48 1 . 1 1 12 12 LYS HA H 12 4.331 4.331 4.619 -0.288 19811 49 1 . 1 1 12 12 LYS CA C 12 56.660 56.660 55.406 1.254 19811 50 1 . 1 1 12 12 LYS CB C 12 33.199 33.199 33.488 -0.289 19811 51 1 . 1 1 12 12 LYS H H 12 7.766 7.766 7.835 -0.069 19811 52 1 . 1 1 13 13 THR N N 13 113.928 113.928 112.579 1.349 19811 53 1 . 1 1 13 13 THR HA H 13 5.193 5.193 5.503 -0.310 19811 54 1 . 1 1 13 13 THR CA C 13 61.734 61.734 60.247 1.487 19811 55 1 . 1 1 13 13 THR CB C 13 71.481 71.481 71.010 0.471 19811 56 1 . 1 1 13 13 THR H H 13 8.248 8.248 8.216 0.032 19811 57 1 . 1 1 14 14 LEU N N 14 128.446 128.446 122.606 5.840 19811 58 1 . 1 1 14 14 LEU HA H 14 4.739 4.739 4.775 -0.036 19811 59 1 . 1 1 14 14 LEU CA C 14 53.403 53.403 54.092 -0.689 19811 60 1 . 1 1 14 14 LEU CB C 14 45.480 45.480 46.060 -0.580 19811 61 1 . 1 1 14 14 LEU H H 14 9.270 9.270 8.324 0.946 19811 62 1 . 1 1 15 15 THR N N 15 123.048 123.048 118.469 4.579 19811 63 1 . 1 1 15 15 THR HA H 15 5.191 5.191 5.250 -0.059 19811 64 1 . 1 1 15 15 THR CA C 15 61.986 61.986 61.422 0.564 19811 65 1 . 1 1 15 15 THR CB C 15 70.339 70.339 69.669 0.670 19811 66 1 . 1 1 15 15 THR H H 15 8.759 8.759 8.238 0.521 19811 67 1 . 1 1 16 16 LEU N N 16 125.874 125.874 127.817 -1.943 19811 68 1 . 1 1 16 16 LEU HA H 16 4.770 4.770 4.811 -0.041 19811 69 1 . 1 1 16 16 LEU CA C 16 53.222 53.222 53.474 -0.252 19811 70 1 . 1 1 16 16 LEU CB C 16 45.322 45.322 46.515 -1.193 19811 71 1 . 1 1 16 16 LEU H H 16 8.551 8.551 8.613 -0.062 19811 72 1 . 1 1 17 17 THR N N 17 117.080 117.080 118.714 -1.634 19811 73 1 . 1 1 17 17 THR HA H 17 4.629 4.629 5.007 -0.378 19811 74 1 . 1 1 17 17 THR CA C 17 61.950 61.950 61.447 0.503 19811 75 1 . 1 1 17 17 THR CB C 17 69.202 69.202 69.416 -0.214 19811 76 1 . 1 1 17 17 THR H H 17 8.342 8.342 8.246 0.096 19811 77 1 . 1 1 18 18 VAL N N 18 116.699 116.699 121.718 -5.019 19811 78 1 . 1 1 18 18 VAL HA H 18 3.910 3.910 4.296 -0.386 19811 79 1 . 1 1 18 18 VAL CA C 18 58.565 58.565 59.482 -0.917 19811 80 1 . 1 1 18 18 VAL CB C 18 35.910 35.910 34.086 1.824 19811 81 1 . 1 1 18 18 VAL H H 18 8.131 8.131 8.135 -0.004 19811 82 1 . 1 1 19 19 THR N N 19 110.389 110.389 109.427 0.962 19811 83 1 . 1 1 19 19 THR HA H 19 4.807 4.807 4.838 -0.031 19811 84 1 . 1 1 19 19 THR CA C 19 58.916 58.916 58.660 0.256 19811 85 1 . 1 1 19 19 THR CB C 19 68.674 68.674 70.061 -1.387 19811 86 1 . 1 1 19 19 THR H H 19 6.219 6.219 7.696 -1.477 19811 87 1 . 1 1 20 20 PRO HA H 20 4.382 4.382 4.341 0.041 19811 88 1 . 1 1 20 20 PRO CA C 20 65.110 65.110 64.524 0.586 19811 89 1 . 1 1 20 20 PRO CB C 20 31.996 31.996 32.063 -0.067 19811 90 1 . 1 1 21 21 GLU N N 21 113.087 113.087 115.837 -2.750 19811 91 1 . 1 1 21 21 GLU HA H 21 4.350 4.350 4.333 0.017 19811 92 1 . 1 1 21 21 GLU CA C 21 56.513 56.513 55.897 0.616 19811 93 1 . 1 1 21 21 GLU CB C 21 29.153 29.153 29.765 -0.612 19811 94 1 . 1 1 21 21 GLU H H 21 7.960 7.960 8.268 -0.308 19811 95 1 . 1 1 22 22 PHE N N 22 123.828 123.828 119.470 4.358 19811 96 1 . 1 1 22 22 PHE HA H 22 4.518 4.518 4.679 -0.162 19811 97 1 . 1 1 22 22 PHE CA C 22 58.778 58.778 57.741 1.037 19811 98 1 . 1 1 22 22 PHE CB C 22 40.224 40.224 40.181 0.043 19811 99 1 . 1 1 22 22 PHE H H 22 7.724 7.724 7.673 0.051 19811 100 1 . 1 1 23 23 THR N N 23 114.031 114.031 113.050 0.981 19811 101 1 . 1 1 23 23 THR HA H 23 4.791 4.791 4.476 0.315 19811 102 1 . 1 1 23 23 THR CA C 23 60.340 60.340 60.460 -0.120 19811 103 1 . 1 1 23 23 THR CB C 23 71.791 71.791 71.141 0.650 19811 104 1 . 1 1 23 23 THR H H 23 8.504 8.504 7.954 0.550 19811 105 1 . 1 1 24 24 VAL N N 24 122.541 122.541 120.495 2.046 19811 106 1 . 1 1 24 24 VAL HA H 24 3.427 3.427 3.729 -0.301 19811 107 1 . 1 1 24 24 VAL CA C 24 66.745 66.745 66.526 0.219 19811 108 1 . 1 1 24 24 VAL CB C 24 30.735 30.735 31.134 -0.399 19811 109 1 . 1 1 24 24 VAL H H 24 8.918 8.918 8.345 0.573 19811 110 1 . 1 1 25 25 LYS N N 25 121.079 121.079 119.444 1.635 19811 111 1 . 1 1 25 25 LYS HA H 25 3.912 3.912 4.005 -0.093 19811 112 1 . 1 1 25 25 LYS CA C 25 59.950 59.950 59.678 0.272 19811 113 1 . 1 1 25 25 LYS CB C 25 32.824 32.824 32.180 0.644 19811 114 1 . 1 1 25 25 LYS H H 25 8.622 8.622 8.231 0.391 19811 115 1 . 1 1 26 26 GLU N N 26 118.646 118.646 120.493 -1.847 19811 116 1 . 1 1 26 26 GLU HA H 26 3.859 3.859 4.311 -0.452 19811 117 1 . 1 1 26 26 GLU CA C 26 59.012 59.012 59.139 -0.127 19811 118 1 . 1 1 26 26 GLU CB C 26 29.344 29.344 29.532 -0.188 19811 119 1 . 1 1 26 26 GLU H H 26 7.734 7.734 7.528 0.206 19811 120 1 . 1 1 27 27 LEU N N 27 122.155 122.155 120.441 1.714 19811 121 1 . 1 1 27 27 LEU HA H 27 4.136 4.136 4.267 -0.131 19811 122 1 . 1 1 27 27 LEU CA C 27 58.226 58.226 57.938 0.288 19811 123 1 . 1 1 27 27 LEU CB C 27 41.986 41.986 42.154 -0.168 19811 124 1 . 1 1 27 27 LEU H H 27 8.000 8.000 8.260 -0.260 19811 125 1 . 1 1 28 28 ALA N N 28 121.362 121.362 120.254 1.108 19811 126 1 . 1 1 28 28 ALA HA H 28 3.837 3.837 4.084 -0.247 19811 127 1 . 1 1 28 28 ALA CA C 28 55.872 55.872 55.037 0.835 19811 128 1 . 1 1 28 28 ALA CB C 28 17.902 17.902 18.274 -0.372 19811 129 1 . 1 1 28 28 ALA H H 28 8.899 8.899 7.787 1.112 19811 130 1 . 1 1 29 29 GLU N N 29 116.582 116.582 117.994 -1.412 19811 131 1 . 1 1 29 29 GLU HA H 29 3.814 3.814 4.051 -0.237 19811 132 1 . 1 1 29 29 GLU CA C 29 59.849 59.849 58.831 1.018 19811 133 1 . 1 1 29 29 GLU CB C 29 29.185 29.185 29.185 0.000 19811 134 1 . 1 1 29 29 GLU H H 29 8.437 8.437 7.955 0.482 19811 135 1 . 1 1 30 30 GLU N N 30 121.430 121.430 120.257 1.173 19811 136 1 . 1 1 30 30 GLU HA H 30 4.293 4.293 4.173 0.120 19811 137 1 . 1 1 30 30 GLU CA C 30 58.829 58.829 59.062 -0.233 19811 138 1 . 1 1 30 30 GLU CB C 30 28.720 28.720 29.801 -1.081 19811 139 1 . 1 1 30 30 GLU H H 30 7.877 7.877 7.747 0.130 19811 140 1 . 1 1 31 31 ILE N N 31 119.644 119.644 120.141 -0.497 19811 141 1 . 1 1 31 31 ILE HA H 31 3.289 3.289 3.861 -0.572 19811 142 1 . 1 1 31 31 ILE CA C 31 65.937 65.937 63.275 2.662 19811 143 1 . 1 1 31 31 ILE CB C 31 38.338 38.338 38.140 0.198 19811 144 1 . 1 1 31 31 ILE H H 31 8.438 8.438 7.484 0.954 19811 145 1 . 1 1 32 32 ALA N N 32 120.190 120.190 121.658 -1.468 19811 146 1 . 1 1 32 32 ALA HA H 32 3.637 3.637 4.121 -0.484 19811 147 1 . 1 1 32 32 ALA CA C 32 56.071 56.071 54.788 1.283 19811 148 1 . 1 1 32 32 ALA CB C 32 17.287 17.287 18.203 -0.916 19811 149 1 . 1 1 32 32 ALA H H 32 8.609 8.609 7.820 0.789 19811 150 1 . 1 1 33 33 ARG N N 33 116.846 116.846 117.753 -0.907 19811 151 1 . 1 1 33 33 ARG HA H 33 4.085 4.085 4.078 0.007 19811 152 1 . 1 1 33 33 ARG CA C 33 59.367 59.367 58.952 0.415 19811 153 1 . 1 1 33 33 ARG CB C 33 30.575 30.575 30.411 0.164 19811 154 1 . 1 1 33 33 ARG H H 33 7.817 7.817 7.658 0.159 19811 155 1 . 1 1 34 34 ARG N N 34 118.212 118.212 117.659 0.553 19811 156 1 . 1 1 34 34 ARG HA H 34 4.078 4.078 4.208 -0.130 19811 157 1 . 1 1 34 34 ARG CA C 34 58.321 58.321 58.116 0.205 19811 158 1 . 1 1 34 34 ARG CB C 34 29.771 29.771 30.036 -0.265 19811 159 1 . 1 1 34 34 ARG H H 34 7.922 7.922 7.888 0.034 19811 160 1 . 1 1 35 35 LEU N N 35 115.523 115.523 118.254 -2.731 19811 161 1 . 1 1 35 35 LEU HA H 35 4.426 4.426 4.498 -0.072 19811 162 1 . 1 1 35 35 LEU CA C 35 54.601 54.601 55.157 -0.556 19811 163 1 . 1 1 35 35 LEU CB C 35 42.895 42.895 42.833 0.062 19811 164 1 . 1 1 35 35 LEU H H 35 7.999 7.999 7.482 0.517 19811 165 1 . 1 1 36 36 GLY N N 36 110.277 110.277 107.580 2.697 19811 166 1 . 1 1 36 36 GLY CA C 36 46.906 46.906 45.356 1.550 19811 167 1 . 1 1 36 36 GLY H H 36 7.864 7.864 7.930 -0.066 19811 168 1 . 1 1 37 37 LEU N N 37 119.310 119.310 118.624 0.686 19811 169 1 . 1 1 37 37 LEU HA H 37 4.691 4.691 4.776 -0.085 19811 170 1 . 1 1 37 37 LEU CA C 37 52.642 52.642 53.113 -0.471 19811 171 1 . 1 1 37 37 LEU CB C 37 45.355 45.355 44.981 0.374 19811 172 1 . 1 1 37 37 LEU H H 37 8.025 8.025 7.927 0.098 19811 173 1 . 1 1 38 38 SER N N 38 115.906 115.906 114.751 1.155 19811 174 1 . 1 1 38 38 SER HA H 38 4.955 4.955 4.919 0.036 19811 175 1 . 1 1 38 38 SER CA C 38 55.376 55.376 55.532 -0.156 19811 176 1 . 1 1 38 38 SER CB C 38 63.732 63.732 63.821 -0.089 19811 177 1 . 1 1 38 38 SER H H 38 8.662 8.662 8.284 0.378 19811 178 1 . 1 1 39 39 PRO HA H 39 3.976 3.976 4.347 -0.371 19811 179 1 . 1 1 39 39 PRO CA C 39 65.434 65.434 64.365 1.069 19811 180 1 . 1 1 39 39 PRO CB C 39 31.527 31.527 32.056 -0.529 19811 181 1 . 1 1 40 40 GLU N N 40 115.609 115.609 115.278 0.331 19811 182 1 . 1 1 40 40 GLU HA H 40 4.115 4.115 4.181 -0.066 19811 183 1 . 1 1 40 40 GLU CA C 40 57.861 57.861 57.527 0.334 19811 184 1 . 1 1 40 40 GLU CB C 40 28.842 28.842 29.348 -0.506 19811 185 1 . 1 1 40 40 GLU H H 40 8.455 8.455 8.283 0.172 19811 186 1 . 1 1 41 41 ASP N N 41 118.239 118.239 118.022 0.217 19811 187 1 . 1 1 41 41 ASP HA H 41 4.711 4.711 4.743 -0.032 19811 188 1 . 1 1 41 41 ASP CA C 41 54.862 54.862 55.874 -1.012 19811 189 1 . 1 1 41 41 ASP CB C 41 41.920 41.920 42.766 -0.846 19811 190 1 . 1 1 41 41 ASP H H 41 7.814 7.814 7.717 0.097 19811 191 1 . 1 1 42 42 ILE N N 42 116.579 116.579 119.728 -3.149 19811 192 1 . 1 1 42 42 ILE HA H 42 4.305 4.305 4.417 -0.112 19811 193 1 . 1 1 42 42 ILE CA C 42 60.232 60.232 61.206 -0.974 19811 194 1 . 1 1 42 42 ILE CB C 42 39.070 39.070 38.260 0.810 19811 195 1 . 1 1 42 42 ILE H H 42 7.069 7.069 7.290 -0.221 19811 196 1 . 1 1 43 43 LYS N N 43 128.374 128.374 127.282 1.091 19811 197 1 . 1 1 43 43 LYS HA H 43 4.489 4.489 4.671 -0.182 19811 198 1 . 1 1 43 43 LYS CA C 43 54.924 54.924 54.704 0.220 19811 199 1 . 1 1 43 43 LYS CB C 43 35.322 35.322 36.002 -0.680 19811 200 1 . 1 1 43 43 LYS H H 43 8.709 8.709 8.504 0.205 19811 201 1 . 1 1 44 44 LEU N N 44 126.700 126.700 126.334 0.366 19811 202 1 . 1 1 44 44 LEU HA H 44 5.368 5.368 4.563 0.805 19811 203 1 . 1 1 44 44 LEU CA C 44 52.839 52.839 54.743 -1.904 19811 204 1 . 1 1 44 44 LEU CB C 44 44.529 44.529 43.113 1.416 19811 205 1 . 1 1 44 44 LEU H H 44 8.929 8.929 8.833 0.096 19811 206 1 . 1 1 45 45 THR N N 45 112.945 112.945 119.679 -6.734 19811 207 1 . 1 1 45 45 THR HA H 45 5.282 5.282 5.062 0.220 19811 208 1 . 1 1 45 45 THR CA C 45 59.240 59.240 61.281 -2.041 19811 209 1 . 1 1 45 45 THR CB C 45 72.146 72.146 70.229 1.917 19811 210 1 . 1 1 45 45 THR H H 45 8.846 8.846 8.322 0.524 19811 211 1 . 1 1 46 46 HIS N N 46 120.347 120.347 125.014 -4.667 19811 212 1 . 1 1 46 46 HIS HA H 46 4.956 4.956 4.877 0.079 19811 213 1 . 1 1 46 46 HIS CA C 46 55.757 55.757 55.541 0.216 19811 214 1 . 1 1 46 46 HIS CB C 46 34.673 34.673 32.798 1.875 19811 215 1 . 1 1 46 46 HIS H H 46 8.620 8.620 9.066 -0.446 19811 216 1 . 1 1 47 47 ASN N N 47 128.187 128.187 125.333 2.854 19811 217 1 . 1 1 47 47 ASN HA H 47 4.178 4.178 4.301 -0.123 19811 218 1 . 1 1 47 47 ASN CA C 47 53.481 53.481 53.781 -0.300 19811 219 1 . 1 1 47 47 ASN CB C 47 36.888 36.888 37.324 -0.436 19811 220 1 . 1 1 47 47 ASN H H 47 9.136 9.136 9.115 0.021 19811 221 1 . 1 1 48 48 GLY N N 48 103.028 103.028 103.987 -0.959 19811 222 1 . 1 1 48 48 GLY CA C 48 45.279 45.279 45.020 0.259 19811 223 1 . 1 1 48 48 GLY H H 48 8.633 8.633 8.511 0.122 19811 224 1 . 1 1 49 49 LYS N N 49 121.730 121.730 122.028 -0.298 19811 225 1 . 1 1 49 49 LYS HA H 49 4.572 4.572 4.668 -0.096 19811 226 1 . 1 1 49 49 LYS CA C 49 54.677 54.677 55.113 -0.436 19811 227 1 . 1 1 49 49 LYS CB C 49 33.823 33.823 34.425 -0.602 19811 228 1 . 1 1 49 49 LYS H H 49 7.790 7.790 7.795 -0.005 19811 229 1 . 1 1 50 50 THR N N 50 121.190 121.190 114.214 6.976 19811 230 1 . 1 1 50 50 THR HA H 50 4.254 4.254 5.071 -0.817 19811 231 1 . 1 1 50 50 THR CA C 50 63.304 63.304 60.781 2.523 19811 232 1 . 1 1 50 50 THR CB C 50 68.732 68.732 70.079 -1.347 19811 233 1 . 1 1 50 50 THR H H 50 8.735 8.735 8.356 0.379 19811 234 1 . 1 1 51 51 LEU N N 51 127.406 127.406 123.592 3.814 19811 235 1 . 1 1 51 51 LEU HA H 51 3.973 3.973 4.173 -0.200 19811 236 1 . 1 1 51 51 LEU CA C 51 54.125 54.125 54.108 0.017 19811 237 1 . 1 1 51 51 LEU CB C 51 41.715 41.715 43.209 -1.494 19811 238 1 . 1 1 51 51 LEU H H 51 8.586 8.586 8.189 0.397 19811 239 1 . 1 1 52 52 ASP N N 52 126.711 126.711 124.812 1.899 19811 240 1 . 1 1 52 52 ASP HA H 52 4.840 4.840 4.919 -0.079 19811 241 1 . 1 1 52 52 ASP CA C 52 51.377 51.377 52.071 -0.694 19811 242 1 . 1 1 52 52 ASP CB C 52 43.019 43.019 42.686 0.333 19811 243 1 . 1 1 52 52 ASP H H 52 8.974 8.974 8.073 0.901 19811 244 1 . 1 1 53 53 PRO HA H 53 4.095 4.095 4.408 -0.313 19811 245 1 . 1 1 53 53 PRO CA C 53 64.240 64.240 64.407 -0.167 19811 246 1 . 1 1 53 53 PRO CB C 53 33.077 33.077 32.209 0.868 19811 247 1 . 1 1 54 54 SER N N 54 110.024 110.024 113.312 -3.288 19811 248 1 . 1 1 54 54 SER HA H 54 4.330 4.330 4.317 0.013 19811 249 1 . 1 1 54 54 SER CA C 54 59.971 59.971 59.757 0.214 19811 250 1 . 1 1 54 54 SER CB C 54 63.881 63.881 63.267 0.614 19811 251 1 . 1 1 54 54 SER H H 54 8.643 8.643 8.211 0.432 19811 252 1 . 1 1 55 55 LEU N N 55 123.514 123.514 120.649 2.865 19811 253 1 . 1 1 55 55 LEU HA H 55 4.645 4.645 4.552 0.093 19811 254 1 . 1 1 55 55 LEU CA C 55 50.579 50.579 54.149 -3.570 19811 255 1 . 1 1 55 55 LEU CB C 55 43.928 43.928 43.310 0.618 19811 256 1 . 1 1 55 55 LEU H H 55 7.722 7.722 7.395 0.327 19811 257 1 . 1 1 56 56 THR N N 56 107.845 107.845 109.336 -1.491 19811 258 1 . 1 1 56 56 THR HA H 56 4.921 4.921 4.565 0.356 19811 259 1 . 1 1 56 56 THR CA C 56 60.266 60.266 60.888 -0.622 19811 260 1 . 1 1 56 56 THR CB C 56 71.553 71.553 70.698 0.855 19811 261 1 . 1 1 56 56 THR H H 56 8.335 8.335 8.070 0.265 19811 262 1 . 1 1 57 57 LEU N N 57 118.354 118.354 120.290 -1.936 19811 263 1 . 1 1 57 57 LEU HA H 57 3.992 3.992 4.549 -0.557 19811 264 1 . 1 1 57 57 LEU CA C 57 58.658 58.658 56.951 1.707 19811 265 1 . 1 1 57 57 LEU CB C 57 39.774 39.774 42.276 -2.502 19811 266 1 . 1 1 57 57 LEU H H 57 8.117 8.117 8.684 -0.567 19811 267 1 . 1 1 58 58 ALA N N 58 120.467 120.467 119.285 1.182 19811 268 1 . 1 1 58 58 ALA HA H 58 4.075 4.075 4.239 -0.164 19811 269 1 . 1 1 58 58 ALA CA C 58 55.047 55.047 53.836 1.211 19811 270 1 . 1 1 58 58 ALA CB C 58 18.267 18.267 18.506 -0.239 19811 271 1 . 1 1 58 58 ALA H H 58 8.730 8.730 8.374 0.356 19811 272 1 . 1 1 59 59 GLU N N 59 119.907 119.907 117.699 2.208 19811 273 1 . 1 1 59 59 GLU HA H 59 3.935 3.935 4.191 -0.256 19811 274 1 . 1 1 59 59 GLU CA C 59 58.914 58.914 57.629 1.285 19811 275 1 . 1 1 59 59 GLU CB C 59 29.623 29.623 29.752 -0.129 19811 276 1 . 1 1 59 59 GLU H H 59 7.890 7.890 8.393 -0.503 19811 277 1 . 1 1 60 60 TYR N N 60 116.582 116.582 118.673 -2.091 19811 278 1 . 1 1 60 60 TYR HA H 60 4.554 4.554 4.455 0.099 19811 279 1 . 1 1 60 60 TYR CA C 60 59.463 59.463 58.713 0.750 19811 280 1 . 1 1 60 60 TYR CB C 60 40.288 40.288 39.353 0.935 19811 281 1 . 1 1 60 60 TYR H H 60 7.448 7.448 7.589 -0.141 19811 282 1 . 1 1 61 61 GLY N N 61 109.141 109.141 108.025 1.115 19811 283 1 . 1 1 61 61 GLY CA C 61 46.380 46.380 44.964 1.416 19811 284 1 . 1 1 61 61 GLY H H 61 8.067 8.067 7.872 0.195 19811 285 1 . 1 1 62 62 ILE N N 62 120.506 120.506 121.494 -0.988 19811 286 1 . 1 1 62 62 ILE HA H 62 3.614 3.614 4.381 -0.767 19811 287 1 . 1 1 62 62 ILE CA C 62 61.392 61.392 60.777 0.615 19811 288 1 . 1 1 62 62 ILE CB C 62 36.445 36.445 38.907 -2.462 19811 289 1 . 1 1 62 62 ILE H H 62 7.416 7.416 7.588 -0.172 19811 290 1 . 1 1 63 63 THR N N 63 117.984 117.984 118.519 -0.535 19811 291 1 . 1 1 63 63 THR HA H 63 4.528 4.528 4.880 -0.352 19811 292 1 . 1 1 63 63 THR CA C 63 58.942 58.942 58.858 0.084 19811 293 1 . 1 1 63 63 THR CB C 63 68.304 68.304 69.333 -1.029 19811 294 1 . 1 1 63 63 THR H H 63 7.408 7.408 8.259 -0.851 19811 295 1 . 1 1 64 64 PRO HA H 64 4.237 4.237 4.303 -0.066 19811 296 1 . 1 1 64 64 PRO CA C 64 64.568 64.568 63.051 1.517 19811 297 1 . 1 1 64 64 PRO CB C 64 31.861 31.861 31.854 0.007 19811 298 1 . 1 1 65 65 GLY N N 65 112.539 112.539 110.949 1.590 19811 299 1 . 1 1 65 65 GLY CA C 65 44.719 44.719 45.007 -0.288 19811 300 1 . 1 1 65 65 GLY H H 65 9.286 9.286 8.375 0.911 19811 301 1 . 1 1 66 66 SER N N 66 116.523 116.523 116.349 0.174 19811 302 1 . 1 1 66 66 SER HA H 66 4.535 4.535 4.825 -0.290 19811 303 1 . 1 1 66 66 SER CA C 66 60.415 60.415 57.065 3.350 19811 304 1 . 1 1 66 66 SER CB C 66 64.604 64.604 65.039 -0.435 19811 305 1 . 1 1 66 66 SER H H 66 7.822 7.822 7.916 -0.094 19811 306 1 . 1 1 67 67 THR N N 67 118.238 118.238 115.180 3.058 19811 307 1 . 1 1 67 67 THR HA H 67 5.342 5.342 4.449 0.893 19811 308 1 . 1 1 67 67 THR CA C 67 62.059 62.059 61.671 0.388 19811 309 1 . 1 1 67 67 THR CB C 67 70.858 70.858 69.202 1.656 19811 310 1 . 1 1 67 67 THR H H 67 8.715 8.715 8.306 0.409 19811 311 1 . 1 1 68 68 ILE N N 68 126.891 126.891 126.561 0.330 19811 312 1 . 1 1 68 68 ILE HA H 68 4.761 4.761 4.438 0.323 19811 313 1 . 1 1 68 68 ILE CA C 68 59.434 59.434 60.125 -0.691 19811 314 1 . 1 1 68 68 ILE CB C 68 40.783 40.783 39.744 1.040 19811 315 1 . 1 1 68 68 ILE H H 68 9.097 9.097 8.138 0.959 19811 316 1 . 1 1 69 69 THR N N 69 120.333 120.333 119.593 0.740 19811 317 1 . 1 1 69 69 THR HA H 69 4.566 4.566 4.817 -0.251 19811 318 1 . 1 1 69 69 THR CA C 69 63.014 63.014 60.955 2.059 19811 319 1 . 1 1 69 69 THR CB C 69 70.043 70.043 69.793 0.251 19811 320 1 . 1 1 69 69 THR H H 69 8.903 8.903 8.342 0.561 19811 321 1 . 1 1 70 70 LEU N N 70 126.490 126.490 123.990 2.500 19811 322 1 . 1 1 70 70 LEU HA H 70 4.984 4.984 5.116 -0.132 19811 323 1 . 1 1 70 70 LEU CA C 70 54.088 54.088 53.525 0.563 19811 324 1 . 1 1 70 70 LEU CB C 70 44.772 44.772 44.495 0.277 19811 325 1 . 1 1 70 70 LEU H H 70 8.191 8.191 7.994 0.197 19811 326 1 . 1 1 71 71 GLU N N 71 125.912 125.912 121.242 4.670 19811 327 1 . 1 1 71 71 GLU HA H 71 4.505 4.505 4.716 -0.211 19811 328 1 . 1 1 71 71 GLU CA C 71 54.828 54.828 55.277 -0.449 19811 329 1 . 1 1 71 71 GLU CB C 71 33.391 33.391 33.587 -0.196 19811 330 1 . 1 1 71 71 GLU H H 71 9.089 9.089 8.367 0.722 19811 331 1 . 1 1 72 72 ILE N N 72 123.229 123.229 122.664 0.565 19811 332 1 . 1 1 72 72 ILE HA H 72 4.570 4.570 4.683 -0.113 19811 333 1 . 1 1 72 72 ILE CA C 72 59.629 59.629 60.067 -0.438 19811 334 1 . 1 1 72 72 ILE CB C 72 38.376 38.376 40.221 -1.845 19811 335 1 . 1 1 72 72 ILE H H 72 8.526 8.526 8.497 0.029 19811 336 1 . 1 1 73 73 LYS N N 73 129.392 129.392 126.788 2.604 19811 337 1 . 1 1 73 73 LYS HA H 73 4.178 4.178 4.582 -0.404 19811 338 1 . 1 1 73 73 LYS CA C 73 56.564 56.564 55.642 0.922 19811 339 1 . 1 1 73 73 LYS CB C 73 33.320 33.320 33.709 -0.389 19811 340 1 . 1 1 73 73 LYS H H 73 8.837 8.837 8.352 0.485 19811 341 1 . 1 1 74 74 LYS N N 74 123.476 123.476 121.951 1.525 19811 342 1 . 1 1 74 74 LYS HA H 74 4.255 4.255 4.430 -0.175 19811 343 1 . 1 1 74 74 LYS CA C 74 56.000 56.000 56.131 -0.131 19811 344 1 . 1 1 74 74 LYS CB C 74 33.223 33.223 33.800 -0.577 19811 345 1 . 1 1 74 74 LYS H H 74 8.266 8.266 8.442 -0.176 19811 346 1 . 1 1 75 75 LYS N N 75 124.450 124.450 121.428 3.022 19811 347 1 . 1 1 75 75 LYS HA H 75 4.245 4.245 4.502 -0.257 19811 348 1 . 1 1 75 75 LYS CA C 75 56.677 56.677 56.094 0.583 19811 349 1 . 1 1 75 75 LYS CB C 75 32.876 32.876 33.447 -0.571 19811 350 1 . 1 1 75 75 LYS H H 75 8.572 8.572 8.351 0.221 19811 351 1 . 1 1 76 76 GLY N N 76 110.666 110.666 109.557 1.109 19811 352 1 . 1 1 76 76 GLY CA C 76 45.330 45.330 45.065 0.265 19811 353 1 . 1 1 76 76 GLY H H 76 8.549 8.549 8.481 0.068 19811 354 1 . 1 1 77 77 GLY N N 77 108.740 108.740 108.629 0.111 19811 355 1 . 1 1 77 77 GLY CA C 77 45.300 45.300 45.088 0.212 19811 356 1 . 1 1 77 77 GLY H H 77 8.332 8.332 8.256 0.076 19811 357 1 . 1 1 78 78 LEU N N 78 121.371 121.371 122.121 -0.750 19811 358 1 . 1 1 78 78 LEU HA H 78 4.263 4.263 4.668 -0.405 19811 359 1 . 1 1 78 78 LEU CA C 78 55.127 55.127 55.175 -0.048 19811 360 1 . 1 1 78 78 LEU CB C 78 42.290 42.290 43.078 -0.788 19811 361 1 . 1 1 78 78 LEU H H 78 8.165 8.165 8.316 -0.151 19811 stop_ save_