data_17579 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17579 _Entry.PDB_ID 2LBX 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 17579 _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 LYS N N 37 124.936 124.936 122.228 2.708 17579 2 1 1 . 1 1 2 2 LYS HA H 37 4.053 4.053 4.048 0.005 17579 3 1 1 . 1 1 2 2 LYS C C 37 172.929 172.929 177.957 -5.028 17579 4 1 1 . 1 1 2 2 LYS CA C 37 60.975 60.975 59.010 1.965 17579 5 1 1 . 1 1 2 2 LYS CB C 37 32.607 32.607 31.965 0.642 17579 6 1 1 . 1 1 2 2 LYS H H 37 7.564 7.564 8.492 -0.928 17579 7 1 1 . 1 1 3 3 LYS N N 38 118.300 118.300 118.373 -0.073 17579 8 1 1 . 1 1 3 3 LYS HA H 38 4.045 4.045 4.058 -0.013 17579 9 1 1 . 1 1 3 3 LYS C C 38 179.361 179.361 178.309 1.052 17579 10 1 1 . 1 1 3 3 LYS CA C 38 59.930 59.930 58.574 1.356 17579 11 1 1 . 1 1 3 3 LYS CB C 38 32.885 32.885 31.777 1.108 17579 12 1 1 . 1 1 3 3 LYS H H 38 8.234 8.234 8.127 0.107 17579 13 1 1 . 1 1 4 4 LEU N N 39 122.081 122.081 122.021 0.060 17579 14 1 1 . 1 1 4 4 LEU HA H 39 4.135 4.135 3.821 0.314 17579 15 1 1 . 1 1 4 4 LEU C C 39 178.433 178.433 178.348 0.085 17579 16 1 1 . 1 1 4 4 LEU CA C 39 57.726 57.726 58.134 -0.408 17579 17 1 1 . 1 1 4 4 LEU CB C 39 40.588 40.588 41.611 -1.023 17579 18 1 1 . 1 1 4 4 LEU H H 39 7.856 7.856 7.832 0.024 17579 19 1 1 . 1 1 5 5 ASN N N 40 118.758 118.758 115.754 3.004 17579 20 1 1 . 1 1 5 5 ASN HA H 40 3.994 3.994 4.216 -0.222 17579 21 1 1 . 1 1 5 5 ASN C C 40 176.246 176.246 177.301 -1.055 17579 22 1 1 . 1 1 5 5 ASN CA C 40 57.843 57.843 56.668 1.175 17579 23 1 1 . 1 1 5 5 ASN CB C 40 40.430 40.430 38.409 2.021 17579 24 1 1 . 1 1 5 5 ASN H H 40 9.241 9.241 7.800 1.441 17579 25 1 1 . 1 1 6 6 LYS N N 41 115.665 115.665 120.603 -4.938 17579 26 1 1 . 1 1 6 6 LYS HA H 41 3.929 3.929 3.995 -0.066 17579 27 1 1 . 1 1 6 6 LYS C C 41 179.318 179.318 178.974 0.344 17579 28 1 1 . 1 1 6 6 LYS CA C 41 60.130 60.130 59.444 0.686 17579 29 1 1 . 1 1 6 6 LYS CB C 41 32.580 32.580 32.311 0.269 17579 30 1 1 . 1 1 6 6 LYS H H 41 7.239 7.239 7.414 -0.175 17579 31 1 1 . 1 1 7 7 LYS N N 42 119.038 119.038 119.323 -0.285 17579 32 1 1 . 1 1 7 7 LYS HA H 42 4.037 4.037 4.015 0.022 17579 33 1 1 . 1 1 7 7 LYS C C 42 180.428 180.428 179.236 1.192 17579 34 1 1 . 1 1 7 7 LYS CA C 42 60.178 60.178 59.293 0.885 17579 35 1 1 . 1 1 7 7 LYS CB C 42 33.670 33.670 32.280 1.390 17579 36 1 1 . 1 1 7 7 LYS H H 42 7.358 7.358 7.980 -0.622 17579 37 1 1 . 1 1 8 8 VAL N N 43 122.489 122.489 119.327 3.162 17579 38 1 1 . 1 1 8 8 VAL HA H 43 3.263 3.263 3.800 -0.537 17579 39 1 1 . 1 1 8 8 VAL C C 43 177.823 177.823 178.208 -0.385 17579 40 1 1 . 1 1 8 8 VAL CA C 43 67.836 67.836 67.103 0.733 17579 41 1 1 . 1 1 8 8 VAL CB C 43 31.523 31.523 31.507 0.016 17579 42 1 1 . 1 1 8 8 VAL H H 43 9.167 9.167 8.459 0.708 17579 43 1 1 . 1 1 9 9 LEU N N 44 119.740 119.740 118.503 1.237 17579 44 1 1 . 1 1 9 9 LEU HA H 44 3.964 3.964 3.987 -0.023 17579 45 1 1 . 1 1 9 9 LEU C C 44 179.700 179.700 178.943 0.757 17579 46 1 1 . 1 1 9 9 LEU CA C 44 58.742 58.742 58.608 0.134 17579 47 1 1 . 1 1 9 9 LEU CB C 44 41.239 41.239 41.197 0.042 17579 48 1 1 . 1 1 9 9 LEU H H 44 8.437 8.437 8.379 0.058 17579 49 1 1 . 1 1 10 10 LYS N N 45 119.832 119.832 119.368 0.464 17579 50 1 1 . 1 1 10 10 LYS HA H 45 4.013 4.013 4.101 -0.088 17579 51 1 1 . 1 1 10 10 LYS C C 45 178.847 178.847 179.273 -0.426 17579 52 1 1 . 1 1 10 10 LYS CA C 45 60.146 60.146 59.060 1.086 17579 53 1 1 . 1 1 10 10 LYS CB C 45 32.583 32.583 31.630 0.953 17579 54 1 1 . 1 1 10 10 LYS H H 45 7.857 7.857 8.268 -0.411 17579 55 1 1 . 1 1 11 11 THR N N 46 116.695 116.695 117.410 -0.715 17579 56 1 1 . 1 1 11 11 THR HA H 46 4.327 4.327 4.070 0.257 17579 57 1 1 . 1 1 11 11 THR C C 46 176.211 176.211 176.740 -0.529 17579 58 1 1 . 1 1 11 11 THR CA C 46 68.237 68.237 66.858 1.379 17579 59 1 1 . 1 1 11 11 THR CB C 46 68.312 68.312 68.769 -0.457 17579 60 1 1 . 1 1 11 11 THR H H 46 7.796 7.796 8.121 -0.325 17579 61 1 1 . 1 1 12 12 VAL N N 47 122.013 122.013 122.002 0.011 17579 62 1 1 . 1 1 12 12 VAL HA H 47 3.235 3.235 3.670 -0.435 17579 63 1 1 . 1 1 12 12 VAL C C 47 177.909 177.909 176.949 0.960 17579 64 1 1 . 1 1 12 12 VAL CA C 47 67.838 67.838 65.468 2.370 17579 65 1 1 . 1 1 12 12 VAL CB C 47 31.706 31.706 31.284 0.422 17579 66 1 1 . 1 1 12 12 VAL H H 47 8.762 8.762 8.169 0.593 17579 67 1 1 . 1 1 13 13 LYS N N 48 118.035 118.035 119.596 -1.561 17579 68 1 1 . 1 1 13 13 LYS HA H 48 3.828 3.828 3.965 -0.137 17579 69 1 1 . 1 1 13 13 LYS CA C 48 59.960 59.960 59.737 0.223 17579 70 1 1 . 1 1 13 13 LYS CB C 48 32.837 32.837 32.125 0.712 17579 71 1 1 . 1 1 13 13 LYS H H 48 7.492 7.492 7.979 -0.487 17579 72 1 1 . 1 1 14 14 LYS N N 49 120.565 120.565 118.624 1.941 17579 73 1 1 . 1 1 14 14 LYS HA H 49 3.952 3.952 4.038 -0.086 17579 74 1 1 . 1 1 14 14 LYS C C 49 179.608 179.608 178.942 0.666 17579 75 1 1 . 1 1 14 14 LYS CA C 49 59.950 59.950 58.990 0.960 17579 76 1 1 . 1 1 14 14 LYS CB C 49 33.723 33.723 32.369 1.354 17579 77 1 1 . 1 1 14 14 LYS H H 49 7.498 7.498 7.919 -0.421 17579 78 1 1 . 1 1 15 15 ALA N N 50 122.192 122.192 121.218 0.974 17579 79 1 1 . 1 1 15 15 ALA HA H 50 3.467 3.467 3.722 -0.255 17579 80 1 1 . 1 1 15 15 ALA C C 50 179.970 179.970 178.959 1.011 17579 81 1 1 . 1 1 15 15 ALA CA C 50 54.950 54.950 54.311 0.639 17579 82 1 1 . 1 1 15 15 ALA CB C 50 19.270 19.270 17.843 1.427 17579 83 1 1 . 1 1 15 15 ALA H H 50 8.529 8.529 7.834 0.695 17579 84 1 1 . 1 1 16 16 SER N N 51 116.624 116.624 113.482 3.142 17579 85 1 1 . 1 1 16 16 SER HA H 51 4.696 4.696 4.082 0.614 17579 86 1 1 . 1 1 16 16 SER C C 51 178.705 178.705 176.884 1.821 17579 87 1 1 . 1 1 16 16 SER CA C 51 62.206 62.206 61.467 0.739 17579 88 1 1 . 1 1 16 16 SER CB C 51 62.918 62.918 62.939 -0.021 17579 89 1 1 . 1 1 16 16 SER H H 51 8.542 8.542 8.253 0.289 17579 90 1 1 . 1 1 17 17 LYS N N 52 124.866 124.866 119.747 5.119 17579 91 1 1 . 1 1 17 17 LYS HA H 52 4.051 4.051 4.181 -0.130 17579 92 1 1 . 1 1 17 17 LYS C C 52 177.563 177.563 176.290 1.273 17579 93 1 1 . 1 1 17 17 LYS CA C 52 59.290 59.290 57.496 1.794 17579 94 1 1 . 1 1 17 17 LYS CB C 52 32.104 32.104 32.541 -0.437 17579 95 1 1 . 1 1 17 17 LYS H H 52 7.553 7.553 7.458 0.095 17579 96 1 1 . 1 1 18 18 ALA N N 53 118.801 118.801 119.536 -0.735 17579 97 1 1 . 1 1 18 18 ALA HA H 53 4.280 4.280 4.398 -0.118 17579 98 1 1 . 1 1 18 18 ALA C C 53 175.253 175.253 176.574 -1.321 17579 99 1 1 . 1 1 18 18 ALA CA C 53 52.222 52.222 51.393 0.829 17579 100 1 1 . 1 1 18 18 ALA CB C 53 19.566 19.566 18.424 1.142 17579 101 1 1 . 1 1 18 18 ALA H H 53 7.092 7.092 7.056 0.036 17579 102 1 1 . 1 1 19 19 LYS N N 54 112.119 112.119 116.245 -4.126 17579 103 1 1 . 1 1 19 19 LYS HA H 54 4.027 4.027 3.935 0.092 17579 104 1 1 . 1 1 19 19 LYS C C 54 177.191 177.191 175.308 1.883 17579 105 1 1 . 1 1 19 19 LYS CA C 54 57.435 57.435 57.358 0.077 17579 106 1 1 . 1 1 19 19 LYS CB C 54 28.420 28.420 29.949 -1.529 17579 107 1 1 . 1 1 19 19 LYS H H 54 7.644 7.644 7.577 0.067 17579 108 1 1 . 1 1 20 20 ASN N N 55 116.236 116.236 113.765 2.471 17579 109 1 1 . 1 1 20 20 ASN HA H 55 5.090 5.090 4.930 0.160 17579 110 1 1 . 1 1 20 20 ASN C C 55 173.176 173.176 174.353 -1.177 17579 111 1 1 . 1 1 20 20 ASN CA C 55 51.617 51.617 52.690 -1.073 17579 112 1 1 . 1 1 20 20 ASN CB C 55 40.642 40.642 41.029 -0.387 17579 113 1 1 . 1 1 20 20 ASN H H 55 8.099 8.099 7.875 0.224 17579 114 1 1 . 1 1 21 21 VAL N N 56 115.268 115.268 115.151 0.117 17579 115 1 1 . 1 1 21 21 VAL HA H 56 4.864 4.864 4.520 0.344 17579 116 1 1 . 1 1 21 21 VAL C C 56 175.526 175.526 174.150 1.376 17579 117 1 1 . 1 1 21 21 VAL CA C 56 61.314 61.314 60.253 1.061 17579 118 1 1 . 1 1 21 21 VAL CB C 56 35.532 35.532 33.781 1.751 17579 119 1 1 . 1 1 21 21 VAL H H 56 7.621 7.621 7.607 0.014 17579 120 1 1 . 1 1 22 22 LYS N N 57 126.903 126.903 124.204 2.699 17579 121 1 1 . 1 1 22 22 LYS HA H 57 4.682 4.682 4.814 -0.132 17579 122 1 1 . 1 1 22 22 LYS C C 57 175.564 175.564 175.599 -0.035 17579 123 1 1 . 1 1 22 22 LYS CA C 57 54.694 54.694 54.213 0.481 17579 124 1 1 . 1 1 22 22 LYS CB C 57 33.975 33.975 34.717 -0.742 17579 125 1 1 . 1 1 22 22 LYS H H 57 9.006 9.006 8.484 0.522 17579 126 1 1 . 1 1 23 23 ARG N N 58 122.053 122.053 122.474 -0.421 17579 127 1 1 . 1 1 23 23 ARG HA H 58 4.850 4.850 4.535 0.315 17579 128 1 1 . 1 1 23 23 ARG C C 58 176.136 176.136 176.470 -0.334 17579 129 1 1 . 1 1 23 23 ARG CA C 58 56.100 56.100 54.277 1.823 17579 130 1 1 . 1 1 23 23 ARG CB C 58 33.752 33.752 31.423 2.329 17579 131 1 1 . 1 1 23 23 ARG H H 58 8.994 8.994 8.744 0.250 17579 132 1 1 . 1 1 24 24 GLY N N 59 110.836 110.836 108.399 2.437 17579 133 1 1 . 1 1 24 24 GLY C C 59 173.053 173.053 174.287 -1.234 17579 134 1 1 . 1 1 24 24 GLY CA C 59 45.028 45.028 44.574 0.454 17579 135 1 1 . 1 1 24 24 GLY H H 59 8.205 8.205 8.367 -0.162 17579 136 1 1 . 1 1 25 25 VAL N N 60 119.573 119.573 121.739 -2.166 17579 137 1 1 . 1 1 25 25 VAL HA H 60 4.117 4.117 3.615 0.502 17579 138 1 1 . 1 1 25 25 VAL C C 60 176.366 176.366 177.036 -0.670 17579 139 1 1 . 1 1 25 25 VAL CA C 60 67.542 67.542 65.980 1.562 17579 140 1 1 . 1 1 25 25 VAL CB C 60 32.147 32.147 32.027 0.120 17579 141 1 1 . 1 1 25 25 VAL H H 60 8.219 8.219 8.617 -0.398 17579 142 1 1 . 1 1 26 26 LYS N N 61 117.987 117.987 118.910 -0.923 17579 143 1 1 . 1 1 26 26 LYS HA H 61 3.896 3.896 3.989 -0.093 17579 144 1 1 . 1 1 26 26 LYS C C 61 180.230 180.230 178.608 1.622 17579 145 1 1 . 1 1 26 26 LYS CA C 61 60.492 60.492 60.132 0.360 17579 146 1 1 . 1 1 26 26 LYS CB C 61 32.356 32.356 31.893 0.463 17579 147 1 1 . 1 1 26 26 LYS H H 61 8.112 8.112 8.384 -0.272 17579 148 1 1 . 1 1 27 27 GLU N N 62 117.610 117.610 118.832 -1.222 17579 149 1 1 . 1 1 27 27 GLU HA H 62 3.937 3.937 4.055 -0.118 17579 150 1 1 . 1 1 27 27 GLU C C 62 180.103 180.103 179.156 0.947 17579 151 1 1 . 1 1 27 27 GLU CA C 62 59.119 59.119 59.553 -0.434 17579 152 1 1 . 1 1 27 27 GLU CB C 62 30.052 30.052 29.038 1.014 17579 153 1 1 . 1 1 27 27 GLU H H 62 8.493 8.493 8.438 0.055 17579 154 1 1 . 1 1 28 28 VAL N N 63 120.585 120.585 120.797 -0.212 17579 155 1 1 . 1 1 28 28 VAL HA H 63 3.478 3.478 3.869 -0.391 17579 156 1 1 . 1 1 28 28 VAL C C 63 176.970 176.970 177.922 -0.952 17579 157 1 1 . 1 1 28 28 VAL CA C 63 68.197 68.197 67.549 0.648 17579 158 1 1 . 1 1 28 28 VAL CB C 63 31.632 31.632 32.064 -0.432 17579 159 1 1 . 1 1 28 28 VAL H H 63 8.241 8.241 8.115 0.126 17579 160 1 1 . 1 1 29 29 VAL N N 64 118.622 118.622 119.200 -0.578 17579 161 1 1 . 1 1 29 29 VAL HA H 64 3.333 3.333 3.621 -0.288 17579 162 1 1 . 1 1 29 29 VAL C C 64 177.709 177.709 177.609 0.100 17579 163 1 1 . 1 1 29 29 VAL CA C 64 67.751 67.751 66.371 1.380 17579 164 1 1 . 1 1 29 29 VAL CB C 64 31.553 31.553 31.787 -0.234 17579 165 1 1 . 1 1 29 29 VAL H H 64 8.510 8.510 7.919 0.591 17579 166 1 1 . 1 1 30 30 LYS N N 65 118.138 118.138 119.632 -1.494 17579 167 1 1 . 1 1 30 30 LYS HA H 65 3.855 3.855 3.976 -0.121 17579 168 1 1 . 1 1 30 30 LYS C C 65 178.693 178.693 178.529 0.164 17579 169 1 1 . 1 1 30 30 LYS CA C 65 59.986 59.986 59.782 0.204 17579 170 1 1 . 1 1 30 30 LYS CB C 65 32.800 32.800 32.254 0.546 17579 171 1 1 . 1 1 30 30 LYS H H 65 7.533 7.533 8.193 -0.660 17579 172 1 1 . 1 1 31 31 ALA N N 66 120.585 120.585 122.051 -1.466 17579 173 1 1 . 1 1 31 31 ALA HA H 66 4.049 4.049 4.123 -0.074 17579 174 1 1 . 1 1 31 31 ALA C C 66 179.745 179.745 179.044 0.701 17579 175 1 1 . 1 1 31 31 ALA CA C 66 55.288 55.288 54.477 0.811 17579 176 1 1 . 1 1 31 31 ALA CB C 66 19.207 19.207 18.108 1.099 17579 177 1 1 . 1 1 31 31 ALA H H 66 7.489 7.489 7.812 -0.323 17579 178 1 1 . 1 1 32 32 LEU N N 67 119.402 119.402 114.729 4.673 17579 179 1 1 . 1 1 32 32 LEU HA H 67 3.976 3.976 4.197 -0.221 17579 180 1 1 . 1 1 32 32 LEU C C 67 180.917 180.917 178.487 2.430 17579 181 1 1 . 1 1 32 32 LEU CA C 67 58.115 58.115 57.000 1.115 17579 182 1 1 . 1 1 32 32 LEU CB C 67 42.554 42.554 41.987 0.567 17579 183 1 1 . 1 1 32 32 LEU H H 67 8.332 8.332 7.627 0.705 17579 184 1 1 . 1 1 33 33 ARG N N 68 116.408 116.408 119.804 -3.396 17579 185 1 1 . 1 1 33 33 ARG HA H 68 3.787 3.787 4.133 -0.346 17579 186 1 1 . 1 1 33 33 ARG C C 68 178.472 178.472 177.988 0.484 17579 187 1 1 . 1 1 33 33 ARG CA C 68 59.581 59.581 58.466 1.115 17579 188 1 1 . 1 1 33 33 ARG CB C 68 29.946 29.946 30.484 -0.538 17579 189 1 1 . 1 1 33 33 ARG H H 68 8.147 8.147 7.993 0.154 17579 190 1 1 . 1 1 34 34 LYS N N 69 117.866 117.866 117.723 0.143 17579 191 1 1 . 1 1 34 34 LYS HA H 69 4.232 4.232 4.233 -0.001 17579 192 1 1 . 1 1 34 34 LYS C C 69 177.005 177.005 177.198 -0.193 17579 193 1 1 . 1 1 34 34 LYS CA C 69 56.788 56.788 56.572 0.216 17579 194 1 1 . 1 1 34 34 LYS CB C 69 33.008 33.008 32.496 0.512 17579 195 1 1 . 1 1 34 34 LYS H H 69 7.606 7.606 8.163 -0.557 17579 196 1 1 . 1 1 35 35 GLY N N 70 106.799 106.799 105.864 0.935 17579 197 1 1 . 1 1 35 35 GLY C C 70 175.547 175.547 174.371 1.176 17579 198 1 1 . 1 1 35 35 GLY CA C 70 45.969 45.969 45.297 0.672 17579 199 1 1 . 1 1 35 35 GLY H H 70 7.678 7.678 8.337 -0.659 17579 200 1 1 . 1 1 36 36 GLU N N 71 119.492 119.492 121.910 -2.418 17579 201 1 1 . 1 1 36 36 GLU HA H 71 4.199 4.199 4.304 -0.105 17579 202 1 1 . 1 1 36 36 GLU C C 71 175.625 175.625 175.421 0.204 17579 203 1 1 . 1 1 36 36 GLU CA C 71 57.696 57.696 55.193 2.503 17579 204 1 1 . 1 1 36 36 GLU CB C 71 29.620 29.620 28.070 1.550 17579 205 1 1 . 1 1 36 36 GLU H H 71 7.686 7.686 8.542 -0.856 17579 206 1 1 . 1 1 37 37 LYS N N 72 118.433 118.433 121.821 -3.388 17579 207 1 1 . 1 1 37 37 LYS HA H 72 4.863 4.863 4.480 0.383 17579 208 1 1 . 1 1 37 37 LYS C C 72 175.983 175.983 176.114 -0.131 17579 209 1 1 . 1 1 37 37 LYS CA C 72 54.299 54.299 54.501 -0.202 17579 210 1 1 . 1 1 37 37 LYS CB C 72 35.140 35.140 34.117 1.023 17579 211 1 1 . 1 1 37 37 LYS H H 72 8.202 8.202 7.827 0.375 17579 212 1 1 . 1 1 38 38 GLY N N 73 104.719 104.719 107.563 -2.844 17579 213 1 1 . 1 1 38 38 GLY C C 73 172.071 172.071 173.171 -1.100 17579 214 1 1 . 1 1 38 38 GLY CA C 73 46.798 46.798 45.894 0.904 17579 215 1 1 . 1 1 38 38 GLY H H 73 7.214 7.214 8.897 -1.683 17579 216 1 1 . 1 1 39 39 LEU N N 74 125.471 125.471 122.912 2.559 17579 217 1 1 . 1 1 39 39 LEU HA H 74 4.992 4.992 4.928 0.064 17579 218 1 1 . 1 1 39 39 LEU C C 74 174.651 174.651 174.609 0.042 17579 219 1 1 . 1 1 39 39 LEU CA C 74 54.686 54.686 55.048 -0.362 17579 220 1 1 . 1 1 39 39 LEU CB C 74 47.360 47.360 45.991 1.369 17579 221 1 1 . 1 1 39 39 LEU H H 74 8.930 8.930 8.163 0.767 17579 222 1 1 . 1 1 40 40 VAL N N 75 130.975 130.975 127.868 3.107 17579 223 1 1 . 1 1 40 40 VAL HA H 75 4.649 4.649 4.027 0.622 17579 224 1 1 . 1 1 40 40 VAL C C 75 173.868 173.868 175.483 -1.615 17579 225 1 1 . 1 1 40 40 VAL CA C 75 62.513 62.513 61.825 0.688 17579 226 1 1 . 1 1 40 40 VAL CB C 75 32.856 32.856 30.971 1.885 17579 227 1 1 . 1 1 40 40 VAL H H 75 8.549 8.549 8.861 -0.312 17579 228 1 1 . 1 1 41 41 VAL N N 76 127.452 127.452 128.557 -1.105 17579 229 1 1 . 1 1 41 41 VAL HA H 76 4.645 4.645 4.379 0.266 17579 230 1 1 . 1 1 41 41 VAL C C 76 173.931 173.931 175.414 -1.483 17579 231 1 1 . 1 1 41 41 VAL CA C 76 61.015 61.015 62.223 -1.208 17579 232 1 1 . 1 1 41 41 VAL CB C 76 33.844 33.844 31.244 2.600 17579 233 1 1 . 1 1 41 41 VAL H H 76 8.754 8.754 8.431 0.323 17579 234 1 1 . 1 1 42 42 ILE N N 77 126.301 126.301 128.235 -1.934 17579 235 1 1 . 1 1 42 42 ILE HA H 77 4.455 4.455 5.159 -0.704 17579 236 1 1 . 1 1 42 42 ILE C C 77 174.965 174.965 175.082 -0.117 17579 237 1 1 . 1 1 42 42 ILE CA C 77 59.842 59.842 57.729 2.113 17579 238 1 1 . 1 1 42 42 ILE CB C 77 40.257 40.257 40.700 -0.443 17579 239 1 1 . 1 1 42 42 ILE H H 77 8.530 8.530 9.071 -0.541 17579 240 1 1 . 1 1 43 43 ALA N N 78 128.716 128.716 129.558 -0.842 17579 241 1 1 . 1 1 43 43 ALA HA H 78 4.469 4.469 4.863 -0.394 17579 242 1 1 . 1 1 43 43 ALA C C 78 177.979 177.979 179.047 -1.068 17579 243 1 1 . 1 1 43 43 ALA CA C 78 52.398 52.398 50.959 1.439 17579 244 1 1 . 1 1 43 43 ALA CB C 78 19.600 19.600 18.741 0.859 17579 245 1 1 . 1 1 43 43 ALA H H 78 8.538 8.538 8.276 0.262 17579 246 1 1 . 1 1 44 44 GLY N N 79 104.343 104.343 112.639 -8.296 17579 247 1 1 . 1 1 44 44 GLY C C 79 173.472 173.472 174.781 -1.309 17579 248 1 1 . 1 1 44 44 GLY CA C 79 46.239 46.239 47.053 -0.814 17579 249 1 1 . 1 1 44 44 GLY H H 79 9.090 9.090 8.373 0.717 17579 250 1 1 . 1 1 45 45 ASP N N 80 118.154 118.154 119.182 -1.028 17579 251 1 1 . 1 1 45 45 ASP HA H 80 4.855 4.855 4.544 0.311 17579 252 1 1 . 1 1 45 45 ASP C C 80 176.500 176.500 175.981 0.519 17579 253 1 1 . 1 1 45 45 ASP CA C 80 52.804 52.804 55.270 -2.466 17579 254 1 1 . 1 1 45 45 ASP CB C 80 39.410 39.410 41.450 -2.040 17579 255 1 1 . 1 1 45 45 ASP H H 80 8.603 8.603 8.538 0.065 17579 256 1 1 . 1 1 46 46 ILE N N 81 118.477 118.477 121.303 -2.826 17579 257 1 1 . 1 1 46 46 ILE HA H 81 4.073 4.073 4.341 -0.268 17579 258 1 1 . 1 1 46 46 ILE C C 81 173.822 173.822 173.783 0.039 17579 259 1 1 . 1 1 46 46 ILE CA C 81 59.882 59.882 60.589 -0.707 17579 260 1 1 . 1 1 46 46 ILE CB C 81 39.136 39.136 39.199 -0.063 17579 261 1 1 . 1 1 46 46 ILE H H 81 6.846 6.846 7.350 -0.504 17579 262 1 1 . 1 1 47 47 SER N N 82 117.552 117.552 120.999 -3.447 17579 263 1 1 . 1 1 47 47 SER HA H 82 4.628 4.628 4.735 -0.107 17579 264 1 1 . 1 1 47 47 SER C C 82 176.920 176.920 172.650 4.270 17579 265 1 1 . 1 1 47 47 SER CA C 82 55.444 55.444 55.336 0.108 17579 266 1 1 . 1 1 47 47 SER CB C 82 65.268 65.268 64.187 1.081 17579 267 1 1 . 1 1 47 47 SER H H 82 7.774 7.774 8.331 -0.557 17579 268 1 1 . 1 1 48 48 PRO HA H 83 4.259 4.259 4.512 -0.253 17579 269 1 1 . 1 1 48 48 PRO CA C 83 62.312 62.312 62.505 -0.193 17579 270 1 1 . 1 1 48 48 PRO CB C 83 30.564 30.564 32.285 -1.720 17579 271 1 1 . 1 1 49 49 ALA N N 84 122.207 122.207 120.640 1.567 17579 272 1 1 . 1 1 49 49 ALA HA H 84 3.978 3.978 4.019 -0.041 17579 273 1 1 . 1 1 49 49 ALA C C 84 178.699 178.699 179.570 -0.871 17579 274 1 1 . 1 1 49 49 ALA CA C 84 54.704 54.704 54.747 -0.043 17579 275 1 1 . 1 1 49 49 ALA CB C 84 19.393 19.393 18.348 1.045 17579 276 1 1 . 1 1 49 49 ALA H H 84 8.091 8.091 8.552 -0.461 17579 277 1 1 . 1 1 50 50 ASP N N 85 113.440 113.440 118.856 -5.416 17579 278 1 1 . 1 1 50 50 ASP HA H 85 4.338 4.338 4.409 -0.071 17579 279 1 1 . 1 1 50 50 ASP C C 85 177.723 177.723 178.261 -0.538 17579 280 1 1 . 1 1 50 50 ASP CA C 85 56.203 56.203 57.674 -1.471 17579 281 1 1 . 1 1 50 50 ASP CB C 85 40.562 40.562 40.359 0.203 17579 282 1 1 . 1 1 50 50 ASP H H 85 8.148 8.148 8.479 -0.331 17579 283 1 1 . 1 1 51 51 VAL N N 86 116.604 116.604 119.887 -3.283 17579 284 1 1 . 1 1 51 51 VAL HA H 86 3.925 3.925 3.839 0.086 17579 285 1 1 . 1 1 51 51 VAL C C 86 176.966 176.966 177.014 -0.048 17579 286 1 1 . 1 1 51 51 VAL CA C 86 65.241 65.241 65.039 0.202 17579 287 1 1 . 1 1 51 51 VAL CB C 86 32.467 32.467 32.031 0.436 17579 288 1 1 . 1 1 51 51 VAL H H 86 7.538 7.538 7.432 0.106 17579 289 1 1 . 1 1 52 52 ILE N N 87 108.211 108.211 119.753 -11.542 17579 290 1 1 . 1 1 52 52 ILE HA H 87 4.565 4.565 3.842 0.723 17579 291 1 1 . 1 1 52 52 ILE C C 87 178.116 178.116 177.621 0.495 17579 292 1 1 . 1 1 52 52 ILE CA C 87 60.165 60.165 63.329 -3.164 17579 293 1 1 . 1 1 52 52 ILE CB C 87 41.048 41.048 36.845 4.203 17579 294 1 1 . 1 1 52 52 ILE H H 87 7.283 7.283 8.011 -0.728 17579 295 1 1 . 1 1 53 53 SER N N 88 116.088 116.088 114.829 1.259 17579 296 1 1 . 1 1 53 53 SER HA H 88 4.538 4.538 4.347 0.191 17579 297 1 1 . 1 1 53 53 SER CA C 88 61.852 61.852 60.283 1.569 17579 298 1 1 . 1 1 53 53 SER CB C 88 62.604 62.604 63.665 -1.061 17579 299 1 1 . 1 1 53 53 SER H H 88 7.845 7.845 7.833 0.012 17579 300 1 1 . 1 1 54 54 HIS N N 89 121.004 121.004 122.147 -1.143 17579 301 1 1 . 1 1 54 54 HIS HA H 89 4.590 4.590 4.478 0.112 17579 302 1 1 . 1 1 54 54 HIS C C 89 176.530 176.530 177.356 -0.826 17579 303 1 1 . 1 1 54 54 HIS CA C 89 56.554 56.554 58.890 -2.336 17579 304 1 1 . 1 1 54 54 HIS CB C 89 33.261 33.261 30.492 2.769 17579 305 1 1 . 1 1 54 54 HIS H H 89 8.450 8.450 8.115 0.335 17579 306 1 1 . 1 1 55 55 ILE N N 90 123.909 123.909 121.353 2.556 17579 307 1 1 . 1 1 55 55 ILE HA H 90 4.583 4.583 3.556 1.027 17579 308 1 1 . 1 1 55 55 ILE CA C 90 62.230 62.230 67.441 -5.211 17579 309 1 1 . 1 1 55 55 ILE CB C 90 42.418 42.418 35.742 6.676 17579 310 1 1 . 1 1 55 55 ILE H H 90 8.142 8.142 8.335 -0.193 17579 311 1 1 . 1 1 56 56 PRO HA H 91 2.974 2.974 4.315 -1.341 17579 312 1 1 . 1 1 56 56 PRO C C 91 177.132 177.132 178.746 -1.614 17579 313 1 1 . 1 1 56 56 PRO CA C 91 66.917 66.917 65.892 1.025 17579 314 1 1 . 1 1 56 56 PRO CB C 91 31.519 31.519 31.141 0.378 17579 315 1 1 . 1 1 57 57 VAL N N 92 114.761 114.761 119.785 -5.024 17579 316 1 1 . 1 1 57 57 VAL HA H 92 3.570 3.570 3.716 -0.146 17579 317 1 1 . 1 1 57 57 VAL C C 92 177.995 177.995 178.042 -0.047 17579 318 1 1 . 1 1 57 57 VAL CA C 92 66.358 66.358 66.402 -0.044 17579 319 1 1 . 1 1 57 57 VAL CB C 92 31.694 31.694 31.549 0.145 17579 320 1 1 . 1 1 57 57 VAL H H 92 6.505 6.505 7.296 -0.791 17579 321 1 1 . 1 1 58 58 LEU N N 93 120.572 120.572 118.499 2.073 17579 322 1 1 . 1 1 58 58 LEU HA H 93 4.200 4.200 4.046 0.154 17579 323 1 1 . 1 1 58 58 LEU C C 93 180.452 180.452 178.456 1.996 17579 324 1 1 . 1 1 58 58 LEU CA C 93 57.938 57.938 58.201 -0.263 17579 325 1 1 . 1 1 58 58 LEU CB C 93 43.394 43.394 40.804 2.590 17579 326 1 1 . 1 1 58 58 LEU H H 93 7.432 7.432 8.084 -0.652 17579 327 1 1 . 1 1 59 59 CYS N N 94 117.330 117.330 119.326 -1.996 17579 328 1 1 . 1 1 59 59 CYS HA H 94 3.827 3.827 4.107 -0.280 17579 329 1 1 . 1 1 59 59 CYS C C 94 177.986 177.986 176.084 1.902 17579 330 1 1 . 1 1 59 59 CYS CA C 94 65.483 65.483 63.769 1.714 17579 331 1 1 . 1 1 59 59 CYS CB C 94 26.552 26.552 27.271 -0.719 17579 332 1 1 . 1 1 59 59 CYS H H 94 8.423 8.423 8.086 0.337 17579 333 1 1 . 1 1 60 60 GLU N N 95 120.766 120.766 119.371 1.395 17579 334 1 1 . 1 1 60 60 GLU HA H 95 3.512 3.512 4.131 -0.619 17579 335 1 1 . 1 1 60 60 GLU C C 95 180.736 180.736 177.390 3.346 17579 336 1 1 . 1 1 60 60 GLU CA C 95 59.909 59.909 58.619 1.290 17579 337 1 1 . 1 1 60 60 GLU CB C 95 29.108 29.108 29.481 -0.373 17579 338 1 1 . 1 1 60 60 GLU H H 95 8.237 8.237 7.961 0.276 17579 339 1 1 . 1 1 61 61 ASP N N 96 120.591 120.591 118.898 1.693 17579 340 1 1 . 1 1 61 61 ASP HA H 96 4.311 4.311 4.540 -0.229 17579 341 1 1 . 1 1 61 61 ASP C C 96 178.004 178.004 177.494 0.510 17579 342 1 1 . 1 1 61 61 ASP CA C 96 57.549 57.549 56.042 1.507 17579 343 1 1 . 1 1 61 61 ASP CB C 96 41.083 41.083 41.402 -0.319 17579 344 1 1 . 1 1 61 61 ASP H H 96 8.345 8.345 7.910 0.435 17579 345 1 1 . 1 1 62 62 HIS N N 97 115.844 115.844 116.153 -0.309 17579 346 1 1 . 1 1 62 62 HIS HA H 97 4.575 4.575 4.810 -0.235 17579 347 1 1 . 1 1 62 62 HIS C C 97 173.728 173.728 174.469 -0.741 17579 348 1 1 . 1 1 62 62 HIS CA C 97 57.418 57.418 55.795 1.623 17579 349 1 1 . 1 1 62 62 HIS CB C 97 30.067 30.067 32.216 -2.149 17579 350 1 1 . 1 1 62 62 HIS H H 97 7.663 7.663 7.955 -0.292 17579 351 1 1 . 1 1 63 63 SER N N 98 114.813 114.813 114.527 0.286 17579 352 1 1 . 1 1 63 63 SER HA H 98 4.097 4.097 4.159 -0.062 17579 353 1 1 . 1 1 63 63 SER C C 98 173.789 173.789 173.883 -0.094 17579 354 1 1 . 1 1 63 63 SER CA C 98 59.255 59.255 59.148 0.107 17579 355 1 1 . 1 1 63 63 SER CB C 98 61.602 61.602 60.797 0.805 17579 356 1 1 . 1 1 63 63 SER H H 98 7.861 7.861 8.166 -0.305 17579 357 1 1 . 1 1 64 64 VAL N N 99 123.227 123.227 122.860 0.367 17579 358 1 1 . 1 1 64 64 VAL HA H 99 4.157 4.157 4.289 -0.132 17579 359 1 1 . 1 1 64 64 VAL C C 99 174.345 174.345 174.645 -0.300 17579 360 1 1 . 1 1 64 64 VAL CA C 99 58.923 58.923 60.308 -1.385 17579 361 1 1 . 1 1 64 64 VAL CB C 99 35.133 35.133 33.473 1.660 17579 362 1 1 . 1 1 64 64 VAL H H 99 8.603 8.603 7.452 1.151 17579 363 1 1 . 1 1 65 65 PRO HA H 100 4.260 4.260 4.417 -0.157 17579 364 1 1 . 1 1 65 65 PRO C C 100 173.335 173.335 175.109 -1.774 17579 365 1 1 . 1 1 65 65 PRO CA C 100 63.165 63.165 63.010 0.156 17579 366 1 1 . 1 1 65 65 PRO CB C 100 32.083 32.083 29.950 2.133 17579 367 1 1 . 1 1 66 66 TYR N N 101 114.840 114.840 124.393 -9.553 17579 368 1 1 . 1 1 66 66 TYR HA H 101 5.900 5.900 4.726 1.174 17579 369 1 1 . 1 1 66 66 TYR C C 101 170.503 170.503 173.494 -2.991 17579 370 1 1 . 1 1 66 66 TYR CA C 101 53.986 53.986 56.052 -2.066 17579 371 1 1 . 1 1 66 66 TYR CB C 101 41.998 41.998 40.663 1.335 17579 372 1 1 . 1 1 66 66 TYR H H 101 6.219 6.219 7.929 -1.710 17579 373 1 1 . 1 1 67 67 ILE N N 102 112.118 112.118 126.819 -14.701 17579 374 1 1 . 1 1 67 67 ILE HA H 102 4.488 4.488 4.019 0.469 17579 375 1 1 . 1 1 67 67 ILE C C 102 171.963 171.963 173.265 -1.302 17579 376 1 1 . 1 1 67 67 ILE CA C 102 55.343 55.343 58.440 -3.097 17579 377 1 1 . 1 1 67 67 ILE CB C 102 43.317 43.317 41.940 1.377 17579 378 1 1 . 1 1 67 67 ILE H H 102 7.954 7.954 8.755 -0.801 17579 379 1 1 . 1 1 68 68 PHE N N 103 122.272 122.272 123.318 -1.046 17579 380 1 1 . 1 1 68 68 PHE HA H 103 5.945 5.945 5.292 0.653 17579 381 1 1 . 1 1 68 68 PHE C C 103 176.374 176.374 174.128 2.246 17579 382 1 1 . 1 1 68 68 PHE CA C 103 56.520 56.520 55.001 1.519 17579 383 1 1 . 1 1 68 68 PHE CB C 103 40.518 40.518 41.172 -0.654 17579 384 1 1 . 1 1 68 68 PHE H H 103 8.087 8.087 7.525 0.562 17579 385 1 1 . 1 1 69 69 ILE N N 104 114.672 114.672 116.110 -1.438 17579 386 1 1 . 1 1 69 69 ILE HA H 104 2.991 2.991 4.769 -1.778 17579 387 1 1 . 1 1 69 69 ILE C C 104 175.387 175.387 173.976 1.411 17579 388 1 1 . 1 1 69 69 ILE CA C 104 57.903 57.903 58.253 -0.350 17579 389 1 1 . 1 1 69 69 ILE CB C 104 38.207 38.207 40.349 -2.142 17579 390 1 1 . 1 1 69 69 ILE H H 104 8.847 8.847 9.235 -0.388 17579 391 1 1 . 1 1 70 70 PRO HA H 105 3.918 3.918 4.757 -0.839 17579 392 1 1 . 1 1 70 70 PRO C C 105 177.442 177.442 176.019 1.423 17579 393 1 1 . 1 1 70 70 PRO CA C 105 64.823 64.823 63.140 1.683 17579 394 1 1 . 1 1 70 70 PRO CB C 105 35.906 35.906 30.516 5.390 17579 395 1 1 . 1 1 71 71 SER N N 106 113.113 113.113 117.965 -4.852 17579 396 1 1 . 1 1 71 71 SER HA H 106 4.261 4.261 4.576 -0.315 17579 397 1 1 . 1 1 71 71 SER C C 106 175.111 175.111 174.720 0.391 17579 398 1 1 . 1 1 71 71 SER CA C 106 60.111 60.111 58.420 1.690 17579 399 1 1 . 1 1 71 71 SER CB C 106 63.687 63.687 65.389 -1.702 17579 400 1 1 . 1 1 71 71 SER H H 106 7.904 7.904 8.076 -0.172 17579 401 1 1 . 1 1 72 72 LYS N N 107 119.830 119.830 125.500 -5.670 17579 402 1 1 . 1 1 72 72 LYS HA H 107 4.187 4.187 3.948 0.239 17579 403 1 1 . 1 1 72 72 LYS CA C 107 58.783 58.783 60.294 -1.511 17579 404 1 1 . 1 1 72 72 LYS CB C 107 30.951 30.951 32.527 -1.576 17579 405 1 1 . 1 1 72 72 LYS H H 107 8.314 8.314 8.790 -0.476 17579 406 1 1 . 1 1 73 73 GLN N N 108 123.860 123.860 117.880 5.980 17579 407 1 1 . 1 1 73 73 GLN HA H 108 4.001 4.001 4.085 -0.084 17579 408 1 1 . 1 1 73 73 GLN CA C 108 58.831 58.831 58.985 -0.154 17579 409 1 1 . 1 1 73 73 GLN CB C 108 28.451 28.451 27.884 0.567 17579 410 1 1 . 1 1 73 73 GLN H H 108 8.510 8.510 8.662 -0.151 17579 411 1 1 . 1 1 74 74 ASP N N 109 121.145 121.145 120.872 0.273 17579 412 1 1 . 1 1 74 74 ASP HA H 109 4.389 4.389 4.433 -0.044 17579 413 1 1 . 1 1 74 74 ASP C C 109 178.552 178.552 178.423 0.129 17579 414 1 1 . 1 1 74 74 ASP H H 109 7.966 7.966 7.698 0.268 17579 415 1 1 . 1 1 75 75 LEU N N 110 121.098 121.098 120.947 0.151 17579 416 1 1 . 1 1 75 75 LEU HA H 110 3.955 3.955 4.096 -0.141 17579 417 1 1 . 1 1 75 75 LEU C C 110 178.953 178.953 179.318 -0.365 17579 418 1 1 . 1 1 75 75 LEU CA C 110 56.538 56.538 57.835 -1.297 17579 419 1 1 . 1 1 75 75 LEU CB C 110 40.845 40.845 41.340 -0.495 17579 420 1 1 . 1 1 75 75 LEU H H 110 7.932 7.932 8.313 -0.381 17579 421 1 1 . 1 1 76 76 GLY N N 111 105.659 105.659 106.243 -0.584 17579 422 1 1 . 1 1 76 76 GLY C C 111 175.510 175.510 175.654 -0.144 17579 423 1 1 . 1 1 76 76 GLY CA C 111 47.037 47.037 46.718 0.319 17579 424 1 1 . 1 1 76 76 GLY H H 111 8.006 8.006 8.609 -0.603 17579 425 1 1 . 1 1 77 77 ALA N N 112 122.987 122.987 123.559 -0.572 17579 426 1 1 . 1 1 77 77 ALA HA H 112 4.112 4.112 4.023 0.089 17579 427 1 1 . 1 1 77 77 ALA C C 112 179.350 179.350 178.609 0.741 17579 428 1 1 . 1 1 77 77 ALA CA C 112 53.930 53.930 54.401 -0.471 17579 429 1 1 . 1 1 77 77 ALA CB C 112 18.727 18.727 18.414 0.313 17579 430 1 1 . 1 1 77 77 ALA H H 112 7.824 7.824 7.947 -0.123 17579 431 1 1 . 1 1 78 78 ALA N N 113 121.466 121.466 120.319 1.147 17579 432 1 1 . 1 1 78 78 ALA HA H 113 4.189 4.189 4.284 -0.095 17579 433 1 1 . 1 1 78 78 ALA C C 113 177.368 177.368 179.197 -1.829 17579 434 1 1 . 1 1 78 78 ALA CA C 113 53.750 53.750 53.662 0.088 17579 435 1 1 . 1 1 78 78 ALA CB C 113 19.231 19.231 19.068 0.163 17579 436 1 1 . 1 1 78 78 ALA H H 113 7.785 7.785 7.835 -0.050 17579 437 1 1 . 1 1 79 79 GLY N N 114 104.016 104.016 107.297 -3.281 17579 438 1 1 . 1 1 79 79 GLY CA C 114 45.256 45.256 45.519 -0.263 17579 439 1 1 . 1 1 79 79 GLY H H 114 7.742 7.742 8.236 -0.494 17579 440 1 1 . 1 1 80 80 ALA HA H 115 4.100 4.100 4.522 -0.422 17579 441 1 1 . 1 1 80 80 ALA C C 115 176.526 176.526 176.888 -0.362 17579 442 1 1 . 1 1 80 80 ALA CA C 115 53.482 53.482 52.016 1.466 17579 443 1 1 . 1 1 80 80 ALA CB C 115 19.825 19.825 20.113 -0.288 17579 444 1 1 . 1 1 81 81 THR N N 116 116.236 116.236 116.488 -0.252 17579 445 1 1 . 1 1 81 81 THR HA H 116 4.718 4.718 4.106 0.612 17579 446 1 1 . 1 1 81 81 THR CA C 116 57.275 57.275 64.678 -7.403 17579 447 1 1 . 1 1 81 81 THR CB C 116 64.878 64.878 68.839 -3.961 17579 448 1 1 . 1 1 81 81 THR H H 116 8.068 8.068 8.522 -0.454 17579 449 1 1 . 1 1 84 84 PRO HA H 119 4.072 4.072 4.579 -0.507 17579 450 1 1 . 1 1 84 84 PRO CB C 119 32.154 32.154 32.262 -0.108 17579 451 1 1 . 1 1 85 85 THR N N 120 119.680 119.680 114.171 5.509 17579 452 1 1 . 1 1 85 85 THR C C 120 175.333 175.333 173.662 1.671 17579 453 1 1 . 1 1 85 85 THR CB C 120 71.769 71.769 70.564 1.205 17579 454 1 1 . 1 1 85 85 THR H H 120 8.002 8.002 8.069 -0.067 17579 455 1 1 . 1 1 86 86 SER N N 121 115.589 115.589 114.565 1.024 17579 456 1 1 . 1 1 86 86 SER HA H 121 4.325 4.325 4.706 -0.381 17579 457 1 1 . 1 1 86 86 SER C C 121 172.929 172.929 173.667 -0.738 17579 458 1 1 . 1 1 86 86 SER CA C 121 59.722 59.722 58.715 1.008 17579 459 1 1 . 1 1 86 86 SER CB C 121 64.608 64.608 64.351 0.257 17579 460 1 1 . 1 1 86 86 SER H H 121 7.335 7.335 8.446 -1.111 17579 461 1 1 . 1 1 87 87 VAL N N 122 116.044 116.044 118.115 -2.071 17579 462 1 1 . 1 1 87 87 VAL HA H 122 5.200 5.200 4.665 0.535 17579 463 1 1 . 1 1 87 87 VAL C C 122 172.465 172.465 173.951 -1.486 17579 464 1 1 . 1 1 87 87 VAL CA C 122 59.819 59.819 61.217 -1.398 17579 465 1 1 . 1 1 87 87 VAL CB C 122 33.368 33.368 33.025 0.343 17579 466 1 1 . 1 1 87 87 VAL H H 122 7.152 7.152 7.311 -0.159 17579 467 1 1 . 1 1 88 88 VAL N N 123 119.350 119.350 125.099 -5.749 17579 468 1 1 . 1 1 88 88 VAL HA H 123 5.091 5.091 4.499 0.592 17579 469 1 1 . 1 1 88 88 VAL C C 123 173.214 173.214 174.131 -0.917 17579 470 1 1 . 1 1 88 88 VAL CA C 123 59.219 59.219 60.787 -1.568 17579 471 1 1 . 1 1 88 88 VAL CB C 123 36.362 36.362 36.393 -0.031 17579 472 1 1 . 1 1 88 88 VAL H H 123 8.851 8.851 8.670 0.181 17579 473 1 1 . 1 1 89 89 PHE N N 124 122.568 122.568 125.387 -2.819 17579 474 1 1 . 1 1 89 89 PHE HA H 124 5.613 5.613 5.213 0.400 17579 475 1 1 . 1 1 89 89 PHE C C 124 174.887 174.887 174.992 -0.105 17579 476 1 1 . 1 1 89 89 PHE CA C 124 52.961 52.961 56.149 -3.188 17579 477 1 1 . 1 1 89 89 PHE CB C 124 42.788 42.788 42.016 0.772 17579 478 1 1 . 1 1 89 89 PHE H H 124 9.051 9.051 9.158 -0.107 17579 479 1 1 . 1 1 90 90 ILE N N 125 127.707 127.707 127.001 0.706 17579 480 1 1 . 1 1 90 90 ILE HA H 125 4.264 4.264 4.304 -0.040 17579 481 1 1 . 1 1 90 90 ILE C C 125 173.870 173.870 175.673 -1.803 17579 482 1 1 . 1 1 90 90 ILE CA C 125 61.789 61.789 60.393 1.396 17579 483 1 1 . 1 1 90 90 ILE CB C 125 39.785 39.785 38.287 1.498 17579 484 1 1 . 1 1 90 90 ILE H H 125 9.477 9.477 9.398 0.079 17579 485 1 1 . 1 1 91 91 VAL N N 126 126.579 126.579 119.152 7.427 17579 486 1 1 . 1 1 91 91 VAL HA H 126 4.566 4.566 4.887 -0.321 17579 487 1 1 . 1 1 91 91 VAL C C 126 173.829 173.829 174.034 -0.205 17579 488 1 1 . 1 1 91 91 VAL CA C 126 58.701 58.701 59.054 -0.353 17579 489 1 1 . 1 1 91 91 VAL CB C 126 32.989 32.989 32.879 0.110 17579 490 1 1 . 1 1 91 91 VAL H H 126 8.149 8.149 9.062 -0.913 17579 491 1 1 . 1 1 92 92 PRO HA H 127 4.035 4.035 4.704 -0.669 17579 492 1 1 . 1 1 92 92 PRO C C 127 177.766 177.766 175.994 1.772 17579 493 1 1 . 1 1 92 92 PRO CA C 127 63.684 63.684 63.069 0.615 17579 494 1 1 . 1 1 92 92 PRO CB C 127 32.178 32.178 29.841 2.337 17579 495 1 1 . 1 1 93 93 GLY N N 128 108.618 108.618 109.714 -1.096 17579 496 1 1 . 1 1 93 93 GLY CA C 128 45.787 45.787 44.724 1.063 17579 497 1 1 . 1 1 93 93 GLY H H 128 7.970 7.970 8.154 -0.184 17579 498 1 1 . 1 1 94 94 SER N N 129 113.620 113.620 119.354 -5.734 17579 499 1 1 . 1 1 94 94 SER HA H 129 4.317 4.317 4.702 -0.385 17579 500 1 1 . 1 1 94 94 SER C C 129 180.379 180.379 174.015 6.364 17579 501 1 1 . 1 1 94 94 SER CA C 129 58.566 58.566 57.310 1.256 17579 502 1 1 . 1 1 94 94 SER H H 129 7.952 7.952 8.363 -0.411 17579 503 1 1 . 1 1 95 95 ASN N N 130 120.775 120.775 122.391 -1.616 17579 504 1 1 . 1 1 95 95 ASN HA H 130 3.964 3.964 4.686 -0.722 17579 505 1 1 . 1 1 95 95 ASN C C 130 178.664 178.664 176.466 2.198 17579 506 1 1 . 1 1 95 95 ASN CA C 130 57.689 57.689 55.567 2.122 17579 507 1 1 . 1 1 95 95 ASN CB C 130 42.288 42.288 38.788 3.500 17579 508 1 1 . 1 1 95 95 ASN H H 130 8.300 8.300 8.932 -0.632 17579 509 1 1 . 1 1 96 96 LYS N N 131 119.316 119.316 120.239 -0.923 17579 510 1 1 . 1 1 96 96 LYS HA H 131 4.095 4.095 4.301 -0.206 17579 511 1 1 . 1 1 96 96 LYS C C 131 178.290 178.290 178.585 -0.295 17579 512 1 1 . 1 1 96 96 LYS CA C 131 59.062 59.062 58.285 0.777 17579 513 1 1 . 1 1 96 96 LYS CB C 131 29.745 29.745 32.414 -2.669 17579 514 1 1 . 1 1 96 96 LYS H H 131 7.896 7.896 8.257 -0.361 17579 515 1 1 . 1 1 97 97 LYS N N 132 117.523 117.523 120.590 -3.067 17579 516 1 1 . 1 1 97 97 LYS C C 132 176.927 176.927 179.311 -2.384 17579 517 1 1 . 1 1 97 97 LYS CA C 132 58.555 58.555 59.245 -0.690 17579 518 1 1 . 1 1 97 97 LYS CB C 132 30.578 30.578 31.969 -1.391 17579 519 1 1 . 1 1 97 97 LYS H H 132 7.791 7.791 8.419 -0.628 17579 520 1 1 . 1 1 98 98 LYS HA H 133 4.236 4.236 4.082 0.154 17579 521 1 1 . 1 1 98 98 LYS C C 133 176.606 176.606 177.262 -0.656 17579 522 1 1 . 1 1 98 98 LYS CA C 133 57.225 57.225 59.024 -1.799 17579 523 1 1 . 1 1 98 98 LYS CB C 133 33.151 33.151 32.248 0.903 17579 524 1 1 . 1 1 99 99 ASP N N 134 120.311 120.311 116.691 3.620 17579 525 1 1 . 1 1 99 99 ASP HA H 134 4.584 4.584 4.843 -0.259 17579 526 1 1 . 1 1 99 99 ASP C C 134 176.899 176.899 175.497 1.402 17579 527 1 1 . 1 1 99 99 ASP CA C 134 54.402 54.402 53.440 0.962 17579 528 1 1 . 1 1 99 99 ASP CB C 134 41.568 41.568 41.850 -0.282 17579 529 1 1 . 1 1 99 99 ASP H H 134 8.267 8.267 7.746 0.521 17579 530 1 1 . 1 1 100 100 GLY N N 135 108.751 108.751 107.473 1.278 17579 531 1 1 . 1 1 100 100 GLY C C 135 174.683 174.683 173.905 0.778 17579 532 1 1 . 1 1 100 100 GLY CA C 135 45.985 45.985 44.175 1.810 17579 533 1 1 . 1 1 100 100 GLY H H 135 8.235 8.235 7.350 0.885 17579 534 1 1 . 1 1 101 101 LYS N N 136 120.306 120.306 122.624 -2.318 17579 535 1 1 . 1 1 101 101 LYS HA H 136 4.279 4.279 4.181 0.098 17579 536 1 1 . 1 1 101 101 LYS C C 136 175.145 175.145 175.783 -0.638 17579 537 1 1 . 1 1 101 101 LYS CA C 136 56.875 56.875 55.504 1.371 17579 538 1 1 . 1 1 101 101 LYS CB C 136 32.987 32.987 30.555 2.432 17579 539 1 1 . 1 1 101 101 LYS H H 136 8.148 8.148 8.581 -0.433 17579 540 1 1 . 1 1 102 102 ASN N N 137 118.958 118.958 121.067 -2.109 17579 541 1 1 . 1 1 102 102 ASN HA H 137 4.707 4.707 4.960 -0.253 17579 542 1 1 . 1 1 102 102 ASN C C 137 175.849 175.849 174.912 0.937 17579 543 1 1 . 1 1 102 102 ASN CA C 137 53.816 53.816 52.316 1.500 17579 544 1 1 . 1 1 102 102 ASN CB C 137 39.070 39.070 41.447 -2.377 17579 545 1 1 . 1 1 102 102 ASN H H 137 8.406 8.406 7.896 0.510 17579 546 1 1 . 1 1 103 103 LYS N N 138 121.782 121.782 121.267 0.515 17579 547 1 1 . 1 1 103 103 LYS HA H 138 4.255 4.255 4.019 0.236 17579 548 1 1 . 1 1 103 103 LYS CA C 138 56.641 56.641 59.087 -2.446 17579 549 1 1 . 1 1 103 103 LYS CB C 138 32.911 32.911 31.747 1.164 17579 550 1 1 . 1 1 103 103 LYS H H 138 8.316 8.316 8.719 -0.403 17579 551 1 1 . 1 1 104 104 GLU N N 139 121.053 121.053 119.927 1.126 17579 552 1 1 . 1 1 104 104 GLU CA C 139 57.449 57.449 59.537 -2.088 17579 553 1 1 . 1 1 104 104 GLU CB C 139 29.983 29.983 29.152 0.831 17579 554 1 1 . 1 1 104 104 GLU H H 139 8.459 8.459 8.781 -0.322 17579 555 1 1 . 1 1 106 106 GLU N N 141 122.191 122.191 119.671 2.520 17579 556 1 1 . 1 1 106 106 GLU HA H 141 4.268 4.268 4.060 0.208 17579 557 1 1 . 1 1 106 106 GLU CA C 141 64.025 64.025 59.208 4.817 17579 558 1 1 . 1 1 106 106 GLU CB C 141 32.117 32.117 29.386 2.731 17579 559 1 1 . 1 1 106 106 GLU H H 141 8.291 8.291 8.513 -0.222 17579 560 1 1 . 1 1 107 107 TYR N N 142 115.802 115.802 120.956 -5.154 17579 561 1 1 . 1 1 107 107 TYR HA H 142 4.996 4.996 3.972 1.024 17579 562 1 1 . 1 1 107 107 TYR C C 142 175.381 175.381 177.383 -2.002 17579 563 1 1 . 1 1 107 107 TYR CA C 142 57.581 57.581 61.804 -4.223 17579 564 1 1 . 1 1 107 107 TYR CB C 142 39.533 39.533 38.303 1.230 17579 565 1 1 . 1 1 107 107 TYR H H 142 7.344 7.344 8.942 -1.598 17579 566 1 1 . 1 1 108 108 LYS N N 143 123.473 123.473 118.927 4.546 17579 567 1 1 . 1 1 108 108 LYS HA H 143 3.628 3.628 3.497 0.131 17579 568 1 1 . 1 1 108 108 LYS C C 143 177.659 177.659 178.601 -0.942 17579 569 1 1 . 1 1 108 108 LYS CA C 143 59.988 59.988 60.001 -0.013 17579 570 1 1 . 1 1 108 108 LYS CB C 143 32.294 32.294 32.204 0.090 17579 571 1 1 . 1 1 108 108 LYS H H 143 7.376 7.376 8.302 -0.926 17579 572 1 1 . 1 1 109 109 GLU N N 144 118.799 118.799 118.949 -0.150 17579 573 1 1 . 1 1 109 109 GLU HA H 144 4.048 4.048 4.026 0.022 17579 574 1 1 . 1 1 109 109 GLU C C 144 179.583 179.583 178.998 0.585 17579 575 1 1 . 1 1 109 109 GLU CA C 144 60.200 60.200 59.212 0.988 17579 576 1 1 . 1 1 109 109 GLU CB C 144 29.237 29.237 29.314 -0.077 17579 577 1 1 . 1 1 109 109 GLU H H 144 8.558 8.558 8.067 0.491 17579 578 1 1 . 1 1 110 110 SER N N 145 116.121 116.121 116.720 -0.599 17579 579 1 1 . 1 1 110 110 SER HA H 145 4.319 4.319 4.083 0.236 17579 580 1 1 . 1 1 110 110 SER C C 145 176.522 176.522 176.723 -0.201 17579 581 1 1 . 1 1 110 110 SER CA C 145 61.990 61.990 62.065 -0.074 17579 582 1 1 . 1 1 110 110 SER CB C 145 63.293 63.293 63.196 0.097 17579 583 1 1 . 1 1 110 110 SER H H 145 8.094 8.094 8.264 -0.170 17579 584 1 1 . 1 1 111 111 PHE N N 146 122.311 122.311 122.211 0.100 17579 585 1 1 . 1 1 111 111 PHE HA H 146 4.021 4.021 4.053 -0.032 17579 586 1 1 . 1 1 111 111 PHE C C 146 176.001 176.001 176.726 -0.725 17579 587 1 1 . 1 1 111 111 PHE CA C 146 62.504 62.504 59.974 2.530 17579 588 1 1 . 1 1 111 111 PHE CB C 146 39.861 39.861 38.633 1.228 17579 589 1 1 . 1 1 111 111 PHE H H 146 8.536 8.536 8.586 -0.050 17579 590 1 1 . 1 1 112 112 ASN N N 147 117.908 117.908 117.102 0.806 17579 591 1 1 . 1 1 112 112 ASN HA H 147 4.252 4.252 4.134 0.118 17579 592 1 1 . 1 1 112 112 ASN C C 147 178.315 178.315 177.451 0.864 17579 593 1 1 . 1 1 112 112 ASN CA C 147 56.226 56.226 56.638 -0.412 17579 594 1 1 . 1 1 112 112 ASN CB C 147 37.990 37.990 38.450 -0.460 17579 595 1 1 . 1 1 112 112 ASN H H 147 8.795 8.795 8.636 0.159 17579 596 1 1 . 1 1 113 113 GLU N N 148 119.868 119.868 120.078 -0.210 17579 597 1 1 . 1 1 113 113 GLU HA H 148 4.024 4.024 3.994 0.030 17579 598 1 1 . 1 1 113 113 GLU C C 148 179.410 179.410 178.709 0.701 17579 599 1 1 . 1 1 113 113 GLU CA C 148 59.710 59.710 59.540 0.170 17579 600 1 1 . 1 1 113 113 GLU CB C 148 30.063 30.063 29.582 0.481 17579 601 1 1 . 1 1 113 113 GLU H H 148 7.764 7.764 7.780 -0.016 17579 602 1 1 . 1 1 114 114 VAL N N 149 119.684 119.684 118.378 1.306 17579 603 1 1 . 1 1 114 114 VAL HA H 149 3.544 3.544 3.678 -0.134 17579 604 1 1 . 1 1 114 114 VAL C C 149 177.613 177.613 178.141 -0.528 17579 605 1 1 . 1 1 114 114 VAL CA C 149 66.977 66.977 65.648 1.329 17579 606 1 1 . 1 1 114 114 VAL CB C 149 30.605 30.605 30.473 0.132 17579 607 1 1 . 1 1 114 114 VAL H H 149 7.973 7.973 8.018 -0.045 17579 608 1 1 . 1 1 115 115 VAL N N 150 119.782 119.782 120.971 -1.189 17579 609 1 1 . 1 1 115 115 VAL HA H 150 3.164 3.164 3.348 -0.184 17579 610 1 1 . 1 1 115 115 VAL C C 150 177.499 177.499 178.103 -0.604 17579 611 1 1 . 1 1 115 115 VAL CA C 150 68.301 68.301 66.682 1.619 17579 612 1 1 . 1 1 115 115 VAL CB C 150 31.483 31.483 30.141 1.342 17579 613 1 1 . 1 1 115 115 VAL H H 150 8.452 8.452 8.468 -0.016 17579 614 1 1 . 1 1 116 116 LYS N N 151 118.842 118.842 119.355 -0.513 17579 615 1 1 . 1 1 116 116 LYS HA H 151 4.024 4.024 3.835 0.189 17579 616 1 1 . 1 1 116 116 LYS C C 151 179.862 179.862 178.901 0.961 17579 617 1 1 . 1 1 116 116 LYS CA C 151 59.947 59.947 59.627 0.320 17579 618 1 1 . 1 1 116 116 LYS CB C 151 32.481 32.481 31.854 0.627 17579 619 1 1 . 1 1 116 116 LYS H H 151 7.595 7.595 7.717 -0.122 17579 620 1 1 . 1 1 117 117 GLU N N 152 120.243 120.243 119.458 0.785 17579 621 1 1 . 1 1 117 117 GLU HA H 152 4.052 4.052 4.035 0.017 17579 622 1 1 . 1 1 117 117 GLU C C 152 179.528 179.528 178.964 0.564 17579 623 1 1 . 1 1 117 117 GLU CA C 152 60.178 60.178 59.395 0.783 17579 624 1 1 . 1 1 117 117 GLU CB C 152 29.949 29.949 29.244 0.705 17579 625 1 1 . 1 1 117 117 GLU H H 152 7.513 7.513 7.981 -0.468 17579 626 1 1 . 1 1 118 118 VAL N N 153 120.596 120.596 119.313 1.283 17579 627 1 1 . 1 1 118 118 VAL HA H 153 3.464 3.464 3.605 -0.141 17579 628 1 1 . 1 1 118 118 VAL C C 153 177.984 177.984 178.215 -0.231 17579 629 1 1 . 1 1 118 118 VAL CA C 153 68.047 68.047 66.006 2.041 17579 630 1 1 . 1 1 118 118 VAL CB C 153 32.056 32.056 30.946 1.110 17579 631 1 1 . 1 1 118 118 VAL H H 153 8.649 8.649 7.712 0.937 17579 632 1 1 . 1 1 119 119 GLN N N 154 118.317 118.317 119.158 -0.841 17579 633 1 1 . 1 1 119 119 GLN HA H 154 3.986 3.986 4.003 -0.017 17579 634 1 1 . 1 1 119 119 GLN C C 154 178.984 178.984 178.319 0.665 17579 635 1 1 . 1 1 119 119 GLN CA C 154 59.716 59.716 58.316 1.400 17579 636 1 1 . 1 1 119 119 GLN CB C 154 28.261 28.261 28.785 -0.524 17579 637 1 1 . 1 1 119 119 GLN H H 154 8.947 8.947 7.940 1.007 17579 638 1 1 . 1 1 120 120 ALA N N 155 120.688 120.688 121.941 -1.253 17579 639 1 1 . 1 1 120 120 ALA HA H 155 3.484 3.484 4.113 -0.629 17579 640 1 1 . 1 1 120 120 ALA C C 155 180.759 180.759 178.155 2.604 17579 641 1 1 . 1 1 120 120 ALA CA C 155 55.257 55.257 53.944 1.313 17579 642 1 1 . 1 1 120 120 ALA CB C 155 18.446 18.446 19.255 -0.809 17579 643 1 1 . 1 1 120 120 ALA H H 155 7.494 7.494 7.803 -0.309 17579 644 1 2 . 1 1 2 2 LYS N N 37 124.936 124.936 122.373 2.563 17579 645 1 2 . 1 1 2 2 LYS HA H 37 4.053 4.053 4.198 -0.145 17579 646 1 2 . 1 1 2 2 LYS C C 37 172.929 172.929 177.933 -5.004 17579 647 1 2 . 1 1 2 2 LYS CA C 37 60.975 60.975 58.658 2.317 17579 648 1 2 . 1 1 2 2 LYS CB C 37 32.607 32.607 32.309 0.298 17579 649 1 2 . 1 1 2 2 LYS H H 37 7.564 7.564 8.393 -0.829 17579 650 1 2 . 1 1 3 3 LYS N N 38 118.300 118.300 119.091 -0.791 17579 651 1 2 . 1 1 3 3 LYS HA H 38 4.045 4.045 4.044 0.001 17579 652 1 2 . 1 1 3 3 LYS C C 38 179.361 179.361 178.479 0.882 17579 653 1 2 . 1 1 3 3 LYS CA C 38 59.930 59.930 58.814 1.116 17579 654 1 2 . 1 1 3 3 LYS CB C 38 32.885 32.885 31.739 1.145 17579 655 1 2 . 1 1 3 3 LYS H H 38 8.234 8.234 8.248 -0.014 17579 656 1 2 . 1 1 4 4 LEU N N 39 122.081 122.081 120.451 1.630 17579 657 1 2 . 1 1 4 4 LEU HA H 39 4.135 4.135 3.934 0.201 17579 658 1 2 . 1 1 4 4 LEU C C 39 178.433 178.433 178.241 0.192 17579 659 1 2 . 1 1 4 4 LEU CA C 39 57.726 57.726 58.625 -0.899 17579 660 1 2 . 1 1 4 4 LEU CB C 39 40.588 40.588 41.542 -0.954 17579 661 1 2 . 1 1 4 4 LEU H H 39 7.856 7.856 7.524 0.332 17579 662 1 2 . 1 1 5 5 ASN N N 40 118.758 118.758 116.614 2.144 17579 663 1 2 . 1 1 5 5 ASN HA H 40 3.994 3.994 4.232 -0.238 17579 664 1 2 . 1 1 5 5 ASN C C 40 176.246 176.246 177.362 -1.116 17579 665 1 2 . 1 1 5 5 ASN CA C 40 57.843 57.843 56.511 1.332 17579 666 1 2 . 1 1 5 5 ASN CB C 40 40.430 40.430 38.031 2.399 17579 667 1 2 . 1 1 5 5 ASN H H 40 9.241 9.241 7.721 1.520 17579 668 1 2 . 1 1 6 6 LYS N N 41 115.665 115.665 119.815 -4.150 17579 669 1 2 . 1 1 6 6 LYS HA H 41 3.929 3.929 3.880 0.049 17579 670 1 2 . 1 1 6 6 LYS C C 41 179.318 179.318 179.075 0.243 17579 671 1 2 . 1 1 6 6 LYS CA C 41 60.130 60.130 59.433 0.697 17579 672 1 2 . 1 1 6 6 LYS CB C 41 32.580 32.580 31.944 0.636 17579 673 1 2 . 1 1 6 6 LYS H H 41 7.239 7.239 7.640 -0.401 17579 674 1 2 . 1 1 7 7 LYS N N 42 119.038 119.038 119.514 -0.476 17579 675 1 2 . 1 1 7 7 LYS HA H 42 4.037 4.037 4.042 -0.005 17579 676 1 2 . 1 1 7 7 LYS C C 42 180.428 180.428 179.101 1.327 17579 677 1 2 . 1 1 7 7 LYS CA C 42 60.178 60.178 59.372 0.806 17579 678 1 2 . 1 1 7 7 LYS CB C 42 33.670 33.670 32.305 1.365 17579 679 1 2 . 1 1 7 7 LYS H H 42 7.358 7.358 7.916 -0.558 17579 680 1 2 . 1 1 8 8 VAL N N 43 122.489 122.489 119.731 2.758 17579 681 1 2 . 1 1 8 8 VAL HA H 43 3.263 3.263 3.743 -0.480 17579 682 1 2 . 1 1 8 8 VAL C C 43 177.823 177.823 178.421 -0.598 17579 683 1 2 . 1 1 8 8 VAL CA C 43 67.836 67.836 66.468 1.368 17579 684 1 2 . 1 1 8 8 VAL CB C 43 31.523 31.523 31.606 -0.083 17579 685 1 2 . 1 1 8 8 VAL H H 43 9.167 9.167 8.109 1.058 17579 686 1 2 . 1 1 9 9 LEU N N 44 119.740 119.740 119.785 -0.045 17579 687 1 2 . 1 1 9 9 LEU HA H 44 3.964 3.964 3.838 0.126 17579 688 1 2 . 1 1 9 9 LEU C C 44 179.700 179.700 179.228 0.472 17579 689 1 2 . 1 1 9 9 LEU CA C 44 58.742 58.742 58.511 0.231 17579 690 1 2 . 1 1 9 9 LEU CB C 44 41.239 41.239 41.094 0.145 17579 691 1 2 . 1 1 9 9 LEU H H 44 8.437 8.437 8.262 0.175 17579 692 1 2 . 1 1 10 10 LYS N N 45 119.832 119.832 118.914 0.918 17579 693 1 2 . 1 1 10 10 LYS HA H 45 4.013 4.013 4.012 0.001 17579 694 1 2 . 1 1 10 10 LYS C C 45 178.847 178.847 179.141 -0.294 17579 695 1 2 . 1 1 10 10 LYS CA C 45 60.146 60.146 59.717 0.429 17579 696 1 2 . 1 1 10 10 LYS CB C 45 32.583 32.583 31.957 0.626 17579 697 1 2 . 1 1 10 10 LYS H H 45 7.857 7.857 8.258 -0.401 17579 698 1 2 . 1 1 11 11 THR N N 46 116.695 116.695 116.987 -0.292 17579 699 1 2 . 1 1 11 11 THR HA H 46 4.327 4.327 4.084 0.243 17579 700 1 2 . 1 1 11 11 THR C C 46 176.211 176.211 176.672 -0.461 17579 701 1 2 . 1 1 11 11 THR CA C 46 68.237 68.237 66.353 1.884 17579 702 1 2 . 1 1 11 11 THR CB C 46 68.312 68.312 68.422 -0.111 17579 703 1 2 . 1 1 11 11 THR H H 46 7.796 7.796 8.184 -0.388 17579 704 1 2 . 1 1 12 12 VAL N N 47 122.013 122.013 122.272 -0.259 17579 705 1 2 . 1 1 12 12 VAL HA H 47 3.235 3.235 3.619 -0.384 17579 706 1 2 . 1 1 12 12 VAL C C 47 177.909 177.909 176.919 0.990 17579 707 1 2 . 1 1 12 12 VAL CA C 47 67.838 67.838 65.402 2.436 17579 708 1 2 . 1 1 12 12 VAL CB C 47 31.706 31.706 31.303 0.403 17579 709 1 2 . 1 1 12 12 VAL H H 47 8.762 8.762 8.122 0.640 17579 710 1 2 . 1 1 13 13 LYS N N 48 118.035 118.035 119.607 -1.572 17579 711 1 2 . 1 1 13 13 LYS HA H 48 3.828 3.828 3.952 -0.124 17579 712 1 2 . 1 1 13 13 LYS CA C 48 59.960 59.960 59.939 0.021 17579 713 1 2 . 1 1 13 13 LYS CB C 48 32.837 32.837 32.163 0.674 17579 714 1 2 . 1 1 13 13 LYS H H 48 7.492 7.492 8.306 -0.814 17579 715 1 2 . 1 1 14 14 LYS N N 49 120.565 120.565 118.316 2.249 17579 716 1 2 . 1 1 14 14 LYS HA H 49 3.952 3.952 4.045 -0.093 17579 717 1 2 . 1 1 14 14 LYS C C 49 179.608 179.608 178.895 0.713 17579 718 1 2 . 1 1 14 14 LYS CA C 49 59.950 59.950 58.839 1.111 17579 719 1 2 . 1 1 14 14 LYS CB C 49 33.723 33.723 32.591 1.132 17579 720 1 2 . 1 1 14 14 LYS H H 49 7.498 7.498 7.941 -0.443 17579 721 1 2 . 1 1 15 15 ALA N N 50 122.192 122.192 121.472 0.720 17579 722 1 2 . 1 1 15 15 ALA HA H 50 3.467 3.467 3.771 -0.304 17579 723 1 2 . 1 1 15 15 ALA C C 50 179.970 179.970 179.414 0.556 17579 724 1 2 . 1 1 15 15 ALA CA C 50 54.950 54.950 54.439 0.511 17579 725 1 2 . 1 1 15 15 ALA CB C 50 19.270 19.270 17.572 1.698 17579 726 1 2 . 1 1 15 15 ALA H H 50 8.529 8.529 7.864 0.665 17579 727 1 2 . 1 1 16 16 SER N N 51 116.624 116.624 112.931 3.693 17579 728 1 2 . 1 1 16 16 SER HA H 51 4.696 4.696 4.118 0.578 17579 729 1 2 . 1 1 16 16 SER C C 51 178.705 178.705 176.444 2.261 17579 730 1 2 . 1 1 16 16 SER CA C 51 62.206 62.206 61.315 0.891 17579 731 1 2 . 1 1 16 16 SER CB C 51 62.918 62.918 63.005 -0.087 17579 732 1 2 . 1 1 16 16 SER H H 51 8.542 8.542 8.247 0.295 17579 733 1 2 . 1 1 17 17 LYS N N 52 124.866 124.866 119.033 5.833 17579 734 1 2 . 1 1 17 17 LYS HA H 52 4.051 4.051 4.207 -0.156 17579 735 1 2 . 1 1 17 17 LYS C C 52 177.563 177.563 177.086 0.477 17579 736 1 2 . 1 1 17 17 LYS CA C 52 59.290 59.290 57.321 1.969 17579 737 1 2 . 1 1 17 17 LYS CB C 52 32.104 32.104 32.558 -0.454 17579 738 1 2 . 1 1 17 17 LYS H H 52 7.553 7.553 7.458 0.095 17579 739 1 2 . 1 1 18 18 ALA N N 53 118.801 118.801 119.835 -1.034 17579 740 1 2 . 1 1 18 18 ALA HA H 53 4.280 4.280 4.346 -0.066 17579 741 1 2 . 1 1 18 18 ALA C C 53 175.253 175.253 176.739 -1.486 17579 742 1 2 . 1 1 18 18 ALA CA C 53 52.222 52.222 51.375 0.847 17579 743 1 2 . 1 1 18 18 ALA CB C 53 19.566 19.566 19.321 0.245 17579 744 1 2 . 1 1 18 18 ALA H H 53 7.092 7.092 7.382 -0.290 17579 745 1 2 . 1 1 19 19 LYS N N 54 112.119 112.119 116.260 -4.141 17579 746 1 2 . 1 1 19 19 LYS HA H 54 4.027 4.027 3.960 0.067 17579 747 1 2 . 1 1 19 19 LYS C C 54 177.191 177.191 175.241 1.950 17579 748 1 2 . 1 1 19 19 LYS CA C 54 57.435 57.435 57.156 0.279 17579 749 1 2 . 1 1 19 19 LYS CB C 54 28.420 28.420 30.286 -1.866 17579 750 1 2 . 1 1 19 19 LYS H H 54 7.644 7.644 7.670 -0.026 17579 751 1 2 . 1 1 20 20 ASN N N 55 116.236 116.236 114.523 1.713 17579 752 1 2 . 1 1 20 20 ASN HA H 55 5.090 5.090 4.903 0.187 17579 753 1 2 . 1 1 20 20 ASN C C 55 173.176 173.176 174.184 -1.008 17579 754 1 2 . 1 1 20 20 ASN CA C 55 51.617 51.617 53.008 -1.391 17579 755 1 2 . 1 1 20 20 ASN CB C 55 40.642 40.642 40.560 0.082 17579 756 1 2 . 1 1 20 20 ASN H H 55 8.099 8.099 7.983 0.116 17579 757 1 2 . 1 1 21 21 VAL N N 56 115.268 115.268 115.255 0.013 17579 758 1 2 . 1 1 21 21 VAL HA H 56 4.864 4.864 4.461 0.403 17579 759 1 2 . 1 1 21 21 VAL C C 56 175.526 175.526 174.866 0.660 17579 760 1 2 . 1 1 21 21 VAL CA C 56 61.314 61.314 60.273 1.041 17579 761 1 2 . 1 1 21 21 VAL CB C 56 35.532 35.532 33.666 1.866 17579 762 1 2 . 1 1 21 21 VAL H H 56 7.621 7.621 7.457 0.164 17579 763 1 2 . 1 1 22 22 LYS N N 57 126.903 126.903 127.887 -0.984 17579 764 1 2 . 1 1 22 22 LYS HA H 57 4.682 4.682 4.742 -0.060 17579 765 1 2 . 1 1 22 22 LYS C C 57 175.564 175.564 175.656 -0.092 17579 766 1 2 . 1 1 22 22 LYS CA C 57 54.694 54.694 55.030 -0.336 17579 767 1 2 . 1 1 22 22 LYS CB C 57 33.975 33.975 34.209 -0.234 17579 768 1 2 . 1 1 22 22 LYS H H 57 9.006 9.006 8.532 0.474 17579 769 1 2 . 1 1 23 23 ARG N N 58 122.053 122.053 122.994 -0.941 17579 770 1 2 . 1 1 23 23 ARG HA H 58 4.850 4.850 4.501 0.349 17579 771 1 2 . 1 1 23 23 ARG C C 58 176.136 176.136 176.447 -0.311 17579 772 1 2 . 1 1 23 23 ARG CA C 58 56.100 56.100 55.085 1.015 17579 773 1 2 . 1 1 23 23 ARG CB C 58 33.752 33.752 31.523 2.229 17579 774 1 2 . 1 1 23 23 ARG H H 58 8.994 8.994 8.903 0.091 17579 775 1 2 . 1 1 24 24 GLY N N 59 110.836 110.836 107.933 2.903 17579 776 1 2 . 1 1 24 24 GLY C C 59 173.053 173.053 174.439 -1.386 17579 777 1 2 . 1 1 24 24 GLY CA C 59 45.028 45.028 44.445 0.583 17579 778 1 2 . 1 1 24 24 GLY H H 59 8.205 8.205 8.039 0.166 17579 779 1 2 . 1 1 25 25 VAL N N 60 119.573 119.573 122.565 -2.992 17579 780 1 2 . 1 1 25 25 VAL HA H 60 4.117 4.117 3.766 0.351 17579 781 1 2 . 1 1 25 25 VAL C C 60 176.366 176.366 177.201 -0.835 17579 782 1 2 . 1 1 25 25 VAL CA C 60 67.542 67.542 65.566 1.976 17579 783 1 2 . 1 1 25 25 VAL CB C 60 32.147 32.147 32.110 0.037 17579 784 1 2 . 1 1 25 25 VAL H H 60 8.219 8.219 8.452 -0.233 17579 785 1 2 . 1 1 26 26 LYS N N 61 117.987 117.987 118.942 -0.955 17579 786 1 2 . 1 1 26 26 LYS HA H 61 3.896 3.896 3.938 -0.042 17579 787 1 2 . 1 1 26 26 LYS C C 61 180.230 180.230 178.552 1.678 17579 788 1 2 . 1 1 26 26 LYS CA C 61 60.492 60.492 60.128 0.364 17579 789 1 2 . 1 1 26 26 LYS CB C 61 32.356 32.356 32.043 0.313 17579 790 1 2 . 1 1 26 26 LYS H H 61 8.112 8.112 8.258 -0.146 17579 791 1 2 . 1 1 27 27 GLU N N 62 117.610 117.610 118.165 -0.555 17579 792 1 2 . 1 1 27 27 GLU HA H 62 3.937 3.937 4.091 -0.154 17579 793 1 2 . 1 1 27 27 GLU C C 62 180.103 180.103 179.290 0.813 17579 794 1 2 . 1 1 27 27 GLU CA C 62 59.119 59.119 59.409 -0.290 17579 795 1 2 . 1 1 27 27 GLU CB C 62 30.052 30.052 28.658 1.394 17579 796 1 2 . 1 1 27 27 GLU H H 62 8.493 8.493 8.216 0.277 17579 797 1 2 . 1 1 28 28 VAL N N 63 120.585 120.585 120.501 0.084 17579 798 1 2 . 1 1 28 28 VAL HA H 63 3.478 3.478 3.918 -0.440 17579 799 1 2 . 1 1 28 28 VAL C C 63 176.970 176.970 177.960 -0.990 17579 800 1 2 . 1 1 28 28 VAL CA C 63 68.197 68.197 67.320 0.877 17579 801 1 2 . 1 1 28 28 VAL CB C 63 31.632 31.632 31.831 -0.199 17579 802 1 2 . 1 1 28 28 VAL H H 63 8.241 8.241 8.024 0.216 17579 803 1 2 . 1 1 29 29 VAL N N 64 118.622 118.622 119.791 -1.169 17579 804 1 2 . 1 1 29 29 VAL HA H 64 3.333 3.333 3.623 -0.290 17579 805 1 2 . 1 1 29 29 VAL C C 64 177.709 177.709 177.718 -0.009 17579 806 1 2 . 1 1 29 29 VAL CA C 64 67.751 67.751 66.463 1.288 17579 807 1 2 . 1 1 29 29 VAL CB C 64 31.553 31.553 31.838 -0.285 17579 808 1 2 . 1 1 29 29 VAL H H 64 8.510 8.510 8.092 0.418 17579 809 1 2 . 1 1 30 30 LYS N N 65 118.138 118.138 119.470 -1.332 17579 810 1 2 . 1 1 30 30 LYS HA H 65 3.855 3.855 3.957 -0.102 17579 811 1 2 . 1 1 30 30 LYS C C 65 178.693 178.693 178.670 0.023 17579 812 1 2 . 1 1 30 30 LYS CA C 65 59.986 59.986 59.891 0.096 17579 813 1 2 . 1 1 30 30 LYS CB C 65 32.800 32.800 32.178 0.622 17579 814 1 2 . 1 1 30 30 LYS H H 65 7.533 7.533 8.126 -0.593 17579 815 1 2 . 1 1 31 31 ALA N N 66 120.585 120.585 121.990 -1.405 17579 816 1 2 . 1 1 31 31 ALA HA H 66 4.049 4.049 4.085 -0.036 17579 817 1 2 . 1 1 31 31 ALA C C 66 179.745 179.745 178.523 1.222 17579 818 1 2 . 1 1 31 31 ALA CA C 66 55.288 55.288 54.637 0.651 17579 819 1 2 . 1 1 31 31 ALA CB C 66 19.207 19.207 18.362 0.845 17579 820 1 2 . 1 1 31 31 ALA H H 66 7.489 7.489 7.913 -0.424 17579 821 1 2 . 1 1 32 32 LEU N N 67 119.402 119.402 115.074 4.328 17579 822 1 2 . 1 1 32 32 LEU HA H 67 3.976 3.976 4.140 -0.164 17579 823 1 2 . 1 1 32 32 LEU C C 67 180.917 180.917 178.756 2.161 17579 824 1 2 . 1 1 32 32 LEU CA C 67 58.115 58.115 57.022 1.093 17579 825 1 2 . 1 1 32 32 LEU CB C 67 42.554 42.554 41.712 0.841 17579 826 1 2 . 1 1 32 32 LEU H H 67 8.332 8.332 7.559 0.773 17579 827 1 2 . 1 1 33 33 ARG N N 68 116.408 116.408 119.982 -3.574 17579 828 1 2 . 1 1 33 33 ARG HA H 68 3.787 3.787 4.168 -0.381 17579 829 1 2 . 1 1 33 33 ARG C C 68 178.472 178.472 178.040 0.432 17579 830 1 2 . 1 1 33 33 ARG CA C 68 59.581 59.581 58.250 1.331 17579 831 1 2 . 1 1 33 33 ARG CB C 68 29.946 29.946 30.371 -0.425 17579 832 1 2 . 1 1 33 33 ARG H H 68 8.147 8.147 7.883 0.264 17579 833 1 2 . 1 1 34 34 LYS N N 69 117.866 117.866 117.128 0.738 17579 834 1 2 . 1 1 34 34 LYS HA H 69 4.232 4.232 4.190 0.042 17579 835 1 2 . 1 1 34 34 LYS C C 69 177.005 177.005 177.116 -0.111 17579 836 1 2 . 1 1 34 34 LYS CA C 69 56.788 56.788 57.237 -0.449 17579 837 1 2 . 1 1 34 34 LYS CB C 69 33.008 33.008 32.752 0.256 17579 838 1 2 . 1 1 34 34 LYS H H 69 7.606 7.606 8.263 -0.657 17579 839 1 2 . 1 1 35 35 GLY N N 70 106.799 106.799 105.531 1.268 17579 840 1 2 . 1 1 35 35 GLY C C 70 175.547 175.547 174.059 1.488 17579 841 1 2 . 1 1 35 35 GLY CA C 70 45.969 45.969 44.993 0.976 17579 842 1 2 . 1 1 35 35 GLY H H 70 7.678 7.678 7.783 -0.105 17579 843 1 2 . 1 1 36 36 GLU N N 71 119.492 119.492 120.649 -1.157 17579 844 1 2 . 1 1 36 36 GLU HA H 71 4.199 4.199 4.434 -0.235 17579 845 1 2 . 1 1 36 36 GLU C C 71 175.625 175.625 175.422 0.203 17579 846 1 2 . 1 1 36 36 GLU CA C 71 57.696 57.696 54.482 3.214 17579 847 1 2 . 1 1 36 36 GLU CB C 71 29.620 29.620 28.238 1.382 17579 848 1 2 . 1 1 36 36 GLU H H 71 7.686 7.686 8.325 -0.639 17579 849 1 2 . 1 1 37 37 LYS N N 72 118.433 118.433 122.817 -4.384 17579 850 1 2 . 1 1 37 37 LYS HA H 72 4.863 4.863 4.473 0.390 17579 851 1 2 . 1 1 37 37 LYS C C 72 175.983 175.983 175.540 0.443 17579 852 1 2 . 1 1 37 37 LYS CA C 72 54.299 54.299 54.714 -0.415 17579 853 1 2 . 1 1 37 37 LYS CB C 72 35.140 35.140 34.412 0.728 17579 854 1 2 . 1 1 37 37 LYS H H 72 8.202 8.202 7.492 0.710 17579 855 1 2 . 1 1 38 38 GLY N N 73 104.719 104.719 107.959 -3.240 17579 856 1 2 . 1 1 38 38 GLY C C 73 172.071 172.071 173.255 -1.184 17579 857 1 2 . 1 1 38 38 GLY CA C 73 46.798 46.798 45.824 0.974 17579 858 1 2 . 1 1 38 38 GLY H H 73 7.214 7.214 8.929 -1.715 17579 859 1 2 . 1 1 39 39 LEU N N 74 125.471 125.471 122.867 2.604 17579 860 1 2 . 1 1 39 39 LEU HA H 74 4.992 4.992 4.922 0.070 17579 861 1 2 . 1 1 39 39 LEU C C 74 174.651 174.651 174.759 -0.108 17579 862 1 2 . 1 1 39 39 LEU CA C 74 54.686 54.686 54.827 -0.141 17579 863 1 2 . 1 1 39 39 LEU CB C 74 47.360 47.360 46.096 1.264 17579 864 1 2 . 1 1 39 39 LEU H H 74 8.930 8.930 8.108 0.822 17579 865 1 2 . 1 1 40 40 VAL N N 75 130.975 130.975 127.494 3.481 17579 866 1 2 . 1 1 40 40 VAL HA H 75 4.649 4.649 3.984 0.665 17579 867 1 2 . 1 1 40 40 VAL C C 75 173.868 173.868 175.426 -1.558 17579 868 1 2 . 1 1 40 40 VAL CA C 75 62.513 62.513 61.796 0.717 17579 869 1 2 . 1 1 40 40 VAL CB C 75 32.856 32.856 30.779 2.077 17579 870 1 2 . 1 1 40 40 VAL H H 75 8.549 8.549 8.818 -0.269 17579 871 1 2 . 1 1 41 41 VAL N N 76 127.452 127.452 129.546 -2.094 17579 872 1 2 . 1 1 41 41 VAL HA H 76 4.645 4.645 4.286 0.359 17579 873 1 2 . 1 1 41 41 VAL C C 76 173.931 173.931 175.115 -1.184 17579 874 1 2 . 1 1 41 41 VAL CA C 76 61.015 61.015 62.755 -1.740 17579 875 1 2 . 1 1 41 41 VAL CB C 76 33.844 33.844 31.769 2.075 17579 876 1 2 . 1 1 41 41 VAL H H 76 8.754 8.754 8.532 0.222 17579 877 1 2 . 1 1 42 42 ILE N N 77 126.301 126.301 129.090 -2.789 17579 878 1 2 . 1 1 42 42 ILE HA H 77 4.455 4.455 5.137 -0.682 17579 879 1 2 . 1 1 42 42 ILE C C 77 174.965 174.965 174.532 0.433 17579 880 1 2 . 1 1 42 42 ILE CA C 77 59.842 59.842 58.230 1.612 17579 881 1 2 . 1 1 42 42 ILE CB C 77 40.257 40.257 42.512 -2.255 17579 882 1 2 . 1 1 42 42 ILE H H 77 8.530 8.530 8.817 -0.287 17579 883 1 2 . 1 1 43 43 ALA N N 78 128.716 128.716 130.416 -1.700 17579 884 1 2 . 1 1 43 43 ALA HA H 78 4.469 4.469 5.030 -0.561 17579 885 1 2 . 1 1 43 43 ALA C C 78 177.979 177.979 179.127 -1.148 17579 886 1 2 . 1 1 43 43 ALA CA C 78 52.398 52.398 50.623 1.775 17579 887 1 2 . 1 1 43 43 ALA CB C 78 19.600 19.600 18.824 0.776 17579 888 1 2 . 1 1 43 43 ALA H H 78 8.538 8.538 8.432 0.106 17579 889 1 2 . 1 1 44 44 GLY N N 79 104.343 104.343 112.758 -8.415 17579 890 1 2 . 1 1 44 44 GLY C C 79 173.472 173.472 174.891 -1.419 17579 891 1 2 . 1 1 44 44 GLY CA C 79 46.239 46.239 47.019 -0.780 17579 892 1 2 . 1 1 44 44 GLY H H 79 9.090 9.090 8.372 0.718 17579 893 1 2 . 1 1 45 45 ASP N N 80 118.154 118.154 119.389 -1.235 17579 894 1 2 . 1 1 45 45 ASP HA H 80 4.855 4.855 4.642 0.213 17579 895 1 2 . 1 1 45 45 ASP C C 80 176.500 176.500 175.954 0.546 17579 896 1 2 . 1 1 45 45 ASP CA C 80 52.804 52.804 54.525 -1.721 17579 897 1 2 . 1 1 45 45 ASP CB C 80 39.410 39.410 42.209 -2.799 17579 898 1 2 . 1 1 45 45 ASP H H 80 8.603 8.603 8.607 -0.004 17579 899 1 2 . 1 1 46 46 ILE N N 81 118.477 118.477 121.587 -3.110 17579 900 1 2 . 1 1 46 46 ILE HA H 81 4.073 4.073 4.367 -0.294 17579 901 1 2 . 1 1 46 46 ILE C C 81 173.822 173.822 173.570 0.252 17579 902 1 2 . 1 1 46 46 ILE CA C 81 59.882 59.882 60.741 -0.859 17579 903 1 2 . 1 1 46 46 ILE CB C 81 39.136 39.136 40.229 -1.093 17579 904 1 2 . 1 1 46 46 ILE H H 81 6.846 6.846 7.569 -0.723 17579 905 1 2 . 1 1 47 47 SER N N 82 117.552 117.552 120.711 -3.159 17579 906 1 2 . 1 1 47 47 SER HA H 82 4.628 4.628 4.726 -0.098 17579 907 1 2 . 1 1 47 47 SER C C 82 176.920 176.920 172.300 4.620 17579 908 1 2 . 1 1 47 47 SER CA C 82 55.444 55.444 56.194 -0.750 17579 909 1 2 . 1 1 47 47 SER CB C 82 65.268 65.268 64.741 0.527 17579 910 1 2 . 1 1 47 47 SER H H 82 7.774 7.774 8.289 -0.515 17579 911 1 2 . 1 1 48 48 PRO HA H 83 4.259 4.259 4.547 -0.288 17579 912 1 2 . 1 1 48 48 PRO CA C 83 62.312 62.312 62.744 -0.432 17579 913 1 2 . 1 1 48 48 PRO CB C 83 30.564 30.564 32.071 -1.507 17579 914 1 2 . 1 1 49 49 ALA N N 84 122.207 122.207 120.156 2.051 17579 915 1 2 . 1 1 49 49 ALA HA H 84 3.978 3.978 4.212 -0.234 17579 916 1 2 . 1 1 49 49 ALA C C 84 178.699 178.699 178.383 0.316 17579 917 1 2 . 1 1 49 49 ALA CA C 84 54.704 54.704 53.778 0.926 17579 918 1 2 . 1 1 49 49 ALA CB C 84 19.393 19.393 18.947 0.446 17579 919 1 2 . 1 1 49 49 ALA H H 84 8.091 8.091 8.310 -0.219 17579 920 1 2 . 1 1 50 50 ASP N N 85 113.440 113.440 119.509 -6.069 17579 921 1 2 . 1 1 50 50 ASP HA H 85 4.338 4.338 4.538 -0.200 17579 922 1 2 . 1 1 50 50 ASP C C 85 177.723 177.723 177.890 -0.167 17579 923 1 2 . 1 1 50 50 ASP CA C 85 56.203 56.203 55.682 0.521 17579 924 1 2 . 1 1 50 50 ASP CB C 85 40.562 40.562 39.807 0.755 17579 925 1 2 . 1 1 50 50 ASP H H 85 8.148 8.148 8.594 -0.446 17579 926 1 2 . 1 1 51 51 VAL N N 86 116.604 116.604 120.080 -3.476 17579 927 1 2 . 1 1 51 51 VAL HA H 86 3.925 3.925 3.652 0.273 17579 928 1 2 . 1 1 51 51 VAL C C 86 176.966 176.966 177.271 -0.305 17579 929 1 2 . 1 1 51 51 VAL CA C 86 65.241 65.241 66.139 -0.898 17579 930 1 2 . 1 1 51 51 VAL CB C 86 32.467 32.467 31.397 1.070 17579 931 1 2 . 1 1 51 51 VAL H H 86 7.538 7.538 7.374 0.164 17579 932 1 2 . 1 1 52 52 ILE N N 87 108.211 108.211 112.852 -4.641 17579 933 1 2 . 1 1 52 52 ILE HA H 87 4.565 4.565 4.058 0.507 17579 934 1 2 . 1 1 52 52 ILE C C 87 178.116 178.116 176.456 1.660 17579 935 1 2 . 1 1 52 52 ILE CA C 87 60.165 60.165 62.877 -2.712 17579 936 1 2 . 1 1 52 52 ILE CB C 87 41.048 41.048 37.131 3.917 17579 937 1 2 . 1 1 52 52 ILE H H 87 7.283 7.283 7.620 -0.337 17579 938 1 2 . 1 1 53 53 SER N N 88 116.088 116.088 114.471 1.617 17579 939 1 2 . 1 1 53 53 SER HA H 88 4.538 4.538 4.548 -0.010 17579 940 1 2 . 1 1 53 53 SER CA C 88 61.852 61.852 58.601 3.251 17579 941 1 2 . 1 1 53 53 SER CB C 88 62.604 62.604 64.226 -1.622 17579 942 1 2 . 1 1 53 53 SER H H 88 7.845 7.845 8.066 -0.221 17579 943 1 2 . 1 1 54 54 HIS N N 89 121.004 121.004 119.317 1.687 17579 944 1 2 . 1 1 54 54 HIS HA H 89 4.590 4.590 4.606 -0.016 17579 945 1 2 . 1 1 54 54 HIS C C 89 176.530 176.530 176.698 -0.168 17579 946 1 2 . 1 1 54 54 HIS CA C 89 56.554 56.554 57.346 -0.792 17579 947 1 2 . 1 1 54 54 HIS CB C 89 33.261 33.261 32.174 1.087 17579 948 1 2 . 1 1 54 54 HIS H H 89 8.450 8.450 7.978 0.472 17579 949 1 2 . 1 1 55 55 ILE N N 90 123.909 123.909 122.016 1.893 17579 950 1 2 . 1 1 55 55 ILE HA H 90 4.583 4.583 3.656 0.927 17579 951 1 2 . 1 1 55 55 ILE CA C 90 62.230 62.230 66.146 -3.916 17579 952 1 2 . 1 1 55 55 ILE CB C 90 42.418 42.418 35.114 7.303 17579 953 1 2 . 1 1 55 55 ILE H H 90 8.142 8.142 8.377 -0.235 17579 954 1 2 . 1 1 56 56 PRO HA H 91 2.974 2.974 4.266 -1.292 17579 955 1 2 . 1 1 56 56 PRO C C 91 177.132 177.132 178.947 -1.815 17579 956 1 2 . 1 1 56 56 PRO CA C 91 66.917 66.917 65.944 0.973 17579 957 1 2 . 1 1 56 56 PRO CB C 91 31.519 31.519 31.001 0.518 17579 958 1 2 . 1 1 57 57 VAL N N 92 114.761 114.761 118.971 -4.210 17579 959 1 2 . 1 1 57 57 VAL HA H 92 3.570 3.570 3.798 -0.228 17579 960 1 2 . 1 1 57 57 VAL C C 92 177.995 177.995 178.018 -0.023 17579 961 1 2 . 1 1 57 57 VAL CA C 92 66.358 66.358 66.451 -0.093 17579 962 1 2 . 1 1 57 57 VAL CB C 92 31.694 31.694 31.422 0.272 17579 963 1 2 . 1 1 57 57 VAL H H 92 6.505 6.505 7.689 -1.184 17579 964 1 2 . 1 1 58 58 LEU N N 93 120.572 120.572 119.053 1.519 17579 965 1 2 . 1 1 58 58 LEU HA H 93 4.200 4.200 4.179 0.021 17579 966 1 2 . 1 1 58 58 LEU C C 93 180.452 180.452 178.877 1.575 17579 967 1 2 . 1 1 58 58 LEU CA C 93 57.938 57.938 58.057 -0.119 17579 968 1 2 . 1 1 58 58 LEU CB C 93 43.394 43.394 40.950 2.444 17579 969 1 2 . 1 1 58 58 LEU H H 93 7.432 7.432 8.342 -0.910 17579 970 1 2 . 1 1 59 59 CYS N N 94 117.330 117.330 119.096 -1.766 17579 971 1 2 . 1 1 59 59 CYS HA H 94 3.827 3.827 4.221 -0.394 17579 972 1 2 . 1 1 59 59 CYS C C 94 177.986 177.986 176.234 1.752 17579 973 1 2 . 1 1 59 59 CYS CA C 94 65.483 65.483 62.833 2.650 17579 974 1 2 . 1 1 59 59 CYS CB C 94 26.552 26.552 27.581 -1.029 17579 975 1 2 . 1 1 59 59 CYS H H 94 8.423 8.423 8.103 0.320 17579 976 1 2 . 1 1 60 60 GLU N N 95 120.766 120.766 118.967 1.799 17579 977 1 2 . 1 1 60 60 GLU HA H 95 3.512 3.512 4.123 -0.611 17579 978 1 2 . 1 1 60 60 GLU C C 95 180.736 180.736 177.552 3.184 17579 979 1 2 . 1 1 60 60 GLU CA C 95 59.909 59.909 58.539 1.370 17579 980 1 2 . 1 1 60 60 GLU CB C 95 29.108 29.108 29.503 -0.395 17579 981 1 2 . 1 1 60 60 GLU H H 95 8.237 8.237 7.943 0.294 17579 982 1 2 . 1 1 61 61 ASP N N 96 120.591 120.591 118.690 1.901 17579 983 1 2 . 1 1 61 61 ASP HA H 96 4.311 4.311 4.468 -0.157 17579 984 1 2 . 1 1 61 61 ASP C C 96 178.004 178.004 177.306 0.698 17579 985 1 2 . 1 1 61 61 ASP CA C 96 57.549 57.549 55.981 1.568 17579 986 1 2 . 1 1 61 61 ASP CB C 96 41.083 41.083 41.217 -0.134 17579 987 1 2 . 1 1 61 61 ASP H H 96 8.345 8.345 7.869 0.476 17579 988 1 2 . 1 1 62 62 HIS N N 97 115.844 115.844 115.398 0.446 17579 989 1 2 . 1 1 62 62 HIS HA H 97 4.575 4.575 4.756 -0.181 17579 990 1 2 . 1 1 62 62 HIS C C 97 173.728 173.728 174.111 -0.383 17579 991 1 2 . 1 1 62 62 HIS CA C 97 57.418 57.418 56.010 1.409 17579 992 1 2 . 1 1 62 62 HIS CB C 97 30.067 30.067 32.982 -2.915 17579 993 1 2 . 1 1 62 62 HIS H H 97 7.663 7.663 7.836 -0.173 17579 994 1 2 . 1 1 63 63 SER N N 98 114.813 114.813 115.132 -0.319 17579 995 1 2 . 1 1 63 63 SER HA H 98 4.097 4.097 4.204 -0.107 17579 996 1 2 . 1 1 63 63 SER C C 98 173.789 173.789 173.153 0.636 17579 997 1 2 . 1 1 63 63 SER CA C 98 59.255 59.255 59.346 -0.091 17579 998 1 2 . 1 1 63 63 SER CB C 98 61.602 61.602 62.264 -0.662 17579 999 1 2 . 1 1 63 63 SER H H 98 7.861 7.861 8.257 -0.396 17579 1000 1 2 . 1 1 64 64 VAL N N 99 123.227 123.227 123.858 -0.631 17579 1001 1 2 . 1 1 64 64 VAL HA H 99 4.157 4.157 4.547 -0.390 17579 1002 1 2 . 1 1 64 64 VAL C C 99 174.345 174.345 174.172 0.173 17579 1003 1 2 . 1 1 64 64 VAL CA C 99 58.923 58.923 58.973 -0.050 17579 1004 1 2 . 1 1 64 64 VAL CB C 99 35.133 35.133 35.867 -0.734 17579 1005 1 2 . 1 1 64 64 VAL H H 99 8.603 8.603 8.013 0.590 17579 1006 1 2 . 1 1 65 65 PRO HA H 100 4.260 4.260 4.508 -0.248 17579 1007 1 2 . 1 1 65 65 PRO C C 100 173.335 173.335 175.099 -1.764 17579 1008 1 2 . 1 1 65 65 PRO CA C 100 63.165 63.165 63.105 0.060 17579 1009 1 2 . 1 1 65 65 PRO CB C 100 32.083 32.083 29.955 2.128 17579 1010 1 2 . 1 1 66 66 TYR N N 101 114.840 114.840 124.175 -9.335 17579 1011 1 2 . 1 1 66 66 TYR HA H 101 5.900 5.900 4.760 1.140 17579 1012 1 2 . 1 1 66 66 TYR C C 101 170.503 170.503 173.544 -3.041 17579 1013 1 2 . 1 1 66 66 TYR CA C 101 53.986 53.986 56.538 -2.552 17579 1014 1 2 . 1 1 66 66 TYR CB C 101 41.998 41.998 40.903 1.095 17579 1015 1 2 . 1 1 66 66 TYR H H 101 6.219 6.219 7.994 -1.775 17579 1016 1 2 . 1 1 67 67 ILE N N 102 112.118 112.118 127.012 -14.894 17579 1017 1 2 . 1 1 67 67 ILE HA H 102 4.488 4.488 4.078 0.410 17579 1018 1 2 . 1 1 67 67 ILE C C 102 171.963 171.963 173.215 -1.252 17579 1019 1 2 . 1 1 67 67 ILE CA C 102 55.343 55.343 58.510 -3.167 17579 1020 1 2 . 1 1 67 67 ILE CB C 102 43.317 43.317 41.858 1.459 17579 1021 1 2 . 1 1 67 67 ILE H H 102 7.954 7.954 8.694 -0.740 17579 1022 1 2 . 1 1 68 68 PHE N N 103 122.272 122.272 122.682 -0.410 17579 1023 1 2 . 1 1 68 68 PHE HA H 103 5.945 5.945 5.584 0.361 17579 1024 1 2 . 1 1 68 68 PHE C C 103 176.374 176.374 174.152 2.222 17579 1025 1 2 . 1 1 68 68 PHE CA C 103 56.520 56.520 54.558 1.962 17579 1026 1 2 . 1 1 68 68 PHE CB C 103 40.518 40.518 41.507 -0.989 17579 1027 1 2 . 1 1 68 68 PHE H H 103 8.087 8.087 7.559 0.528 17579 1028 1 2 . 1 1 69 69 ILE N N 104 114.672 114.672 117.662 -2.990 17579 1029 1 2 . 1 1 69 69 ILE HA H 104 2.991 2.991 4.664 -1.673 17579 1030 1 2 . 1 1 69 69 ILE C C 104 175.387 175.387 173.666 1.721 17579 1031 1 2 . 1 1 69 69 ILE CA C 104 57.903 57.903 57.841 0.062 17579 1032 1 2 . 1 1 69 69 ILE CB C 104 38.207 38.207 40.387 -2.180 17579 1033 1 2 . 1 1 69 69 ILE H H 104 8.847 8.847 9.085 -0.238 17579 1034 1 2 . 1 1 70 70 PRO HA H 105 3.918 3.918 4.756 -0.838 17579 1035 1 2 . 1 1 70 70 PRO C C 105 177.442 177.442 175.925 1.517 17579 1036 1 2 . 1 1 70 70 PRO CA C 105 64.823 64.823 63.106 1.717 17579 1037 1 2 . 1 1 70 70 PRO CB C 105 35.906 35.906 30.544 5.362 17579 1038 1 2 . 1 1 71 71 SER N N 106 113.113 113.113 119.463 -6.350 17579 1039 1 2 . 1 1 71 71 SER HA H 106 4.261 4.261 4.683 -0.422 17579 1040 1 2 . 1 1 71 71 SER C C 106 175.111 175.111 174.935 0.176 17579 1041 1 2 . 1 1 71 71 SER CA C 106 60.111 60.111 58.011 2.100 17579 1042 1 2 . 1 1 71 71 SER CB C 106 63.687 63.687 65.012 -1.325 17579 1043 1 2 . 1 1 71 71 SER H H 106 7.904 7.904 8.238 -0.334 17579 1044 1 2 . 1 1 72 72 LYS N N 107 119.830 119.830 127.436 -7.606 17579 1045 1 2 . 1 1 72 72 LYS HA H 107 4.187 4.187 3.933 0.254 17579 1046 1 2 . 1 1 72 72 LYS CA C 107 58.783 58.783 59.942 -1.159 17579 1047 1 2 . 1 1 72 72 LYS CB C 107 30.951 30.951 32.122 -1.171 17579 1048 1 2 . 1 1 72 72 LYS H H 107 8.314 8.314 8.774 -0.460 17579 1049 1 2 . 1 1 73 73 GLN N N 108 123.860 123.860 120.111 3.749 17579 1050 1 2 . 1 1 73 73 GLN HA H 108 4.001 4.001 4.125 -0.124 17579 1051 1 2 . 1 1 73 73 GLN CA C 108 58.831 58.831 59.153 -0.322 17579 1052 1 2 . 1 1 73 73 GLN CB C 108 28.451 28.451 27.628 0.823 17579 1053 1 2 . 1 1 73 73 GLN H H 108 8.510 8.510 8.711 -0.201 17579 1054 1 2 . 1 1 74 74 ASP N N 109 121.145 121.145 119.558 1.587 17579 1055 1 2 . 1 1 74 74 ASP HA H 109 4.389 4.389 4.345 0.044 17579 1056 1 2 . 1 1 74 74 ASP C C 109 178.552 178.552 178.725 -0.173 17579 1057 1 2 . 1 1 74 74 ASP H H 109 7.966 7.966 8.347 -0.381 17579 1058 1 2 . 1 1 75 75 LEU N N 110 121.098 121.098 121.100 -0.002 17579 1059 1 2 . 1 1 75 75 LEU HA H 110 3.955 3.955 4.039 -0.084 17579 1060 1 2 . 1 1 75 75 LEU C C 110 178.953 178.953 179.100 -0.147 17579 1061 1 2 . 1 1 75 75 LEU CA C 110 56.538 56.538 57.905 -1.367 17579 1062 1 2 . 1 1 75 75 LEU CB C 110 40.845 40.845 41.241 -0.396 17579 1063 1 2 . 1 1 75 75 LEU H H 110 7.932 7.932 8.317 -0.385 17579 1064 1 2 . 1 1 76 76 GLY N N 111 105.659 105.659 106.100 -0.441 17579 1065 1 2 . 1 1 76 76 GLY C C 111 175.510 175.510 175.717 -0.207 17579 1066 1 2 . 1 1 76 76 GLY CA C 111 47.037 47.037 47.236 -0.199 17579 1067 1 2 . 1 1 76 76 GLY H H 111 8.006 8.006 8.562 -0.556 17579 1068 1 2 . 1 1 77 77 ALA N N 112 122.987 122.987 123.963 -0.976 17579 1069 1 2 . 1 1 77 77 ALA HA H 112 4.112 4.112 3.949 0.163 17579 1070 1 2 . 1 1 77 77 ALA C C 112 179.350 179.350 178.991 0.359 17579 1071 1 2 . 1 1 77 77 ALA CA C 112 53.930 53.930 54.846 -0.916 17579 1072 1 2 . 1 1 77 77 ALA CB C 112 18.727 18.727 18.447 0.280 17579 1073 1 2 . 1 1 77 77 ALA H H 112 7.824 7.824 7.917 -0.093 17579 1074 1 2 . 1 1 78 78 ALA N N 113 121.466 121.466 120.540 0.926 17579 1075 1 2 . 1 1 78 78 ALA HA H 113 4.189 4.189 4.068 0.121 17579 1076 1 2 . 1 1 78 78 ALA C C 113 177.368 177.368 179.343 -1.975 17579 1077 1 2 . 1 1 78 78 ALA CA C 113 53.750 53.750 54.386 -0.636 17579 1078 1 2 . 1 1 78 78 ALA CB C 113 19.231 19.231 18.792 0.439 17579 1079 1 2 . 1 1 78 78 ALA H H 113 7.785 7.785 7.826 -0.041 17579 1080 1 2 . 1 1 79 79 GLY N N 114 104.016 104.016 107.025 -3.009 17579 1081 1 2 . 1 1 79 79 GLY CA C 114 45.256 45.256 45.352 -0.096 17579 1082 1 2 . 1 1 79 79 GLY H H 114 7.742 7.742 8.074 -0.332 17579 1083 1 2 . 1 1 80 80 ALA HA H 115 4.100 4.100 4.559 -0.459 17579 1084 1 2 . 1 1 80 80 ALA C C 115 176.526 176.526 176.785 -0.259 17579 1085 1 2 . 1 1 80 80 ALA CA C 115 53.482 53.482 51.798 1.684 17579 1086 1 2 . 1 1 80 80 ALA CB C 115 19.825 19.825 19.808 0.017 17579 1087 1 2 . 1 1 81 81 THR N N 116 116.236 116.236 116.569 -0.333 17579 1088 1 2 . 1 1 81 81 THR HA H 116 4.718 4.718 4.021 0.697 17579 1089 1 2 . 1 1 81 81 THR CA C 116 57.275 57.275 65.158 -7.883 17579 1090 1 2 . 1 1 81 81 THR CB C 116 64.878 64.878 68.957 -4.079 17579 1091 1 2 . 1 1 81 81 THR H H 116 8.068 8.068 8.653 -0.585 17579 1092 1 2 . 1 1 84 84 PRO HA H 119 4.072 4.072 4.586 -0.514 17579 1093 1 2 . 1 1 84 84 PRO CB C 119 32.154 32.154 32.269 -0.115 17579 1094 1 2 . 1 1 85 85 THR N N 120 119.680 119.680 116.323 3.357 17579 1095 1 2 . 1 1 85 85 THR C C 120 175.333 175.333 175.392 -0.059 17579 1096 1 2 . 1 1 85 85 THR CB C 120 71.769 71.769 71.307 0.462 17579 1097 1 2 . 1 1 85 85 THR H H 120 8.002 8.002 7.936 0.066 17579 1098 1 2 . 1 1 86 86 SER N N 121 115.589 115.589 119.764 -4.175 17579 1099 1 2 . 1 1 86 86 SER HA H 121 4.325 4.325 4.303 0.022 17579 1100 1 2 . 1 1 86 86 SER C C 121 172.929 172.929 174.132 -1.203 17579 1101 1 2 . 1 1 86 86 SER CA C 121 59.722 59.722 59.981 -0.259 17579 1102 1 2 . 1 1 86 86 SER CB C 121 64.608 64.608 63.434 1.174 17579 1103 1 2 . 1 1 86 86 SER H H 121 7.335 7.335 8.814 -1.479 17579 1104 1 2 . 1 1 87 87 VAL N N 122 116.044 116.044 116.083 -0.039 17579 1105 1 2 . 1 1 87 87 VAL HA H 122 5.200 5.200 4.686 0.514 17579 1106 1 2 . 1 1 87 87 VAL C C 122 172.465 172.465 174.362 -1.897 17579 1107 1 2 . 1 1 87 87 VAL CA C 122 59.819 59.819 60.212 -0.393 17579 1108 1 2 . 1 1 87 87 VAL CB C 122 33.368 33.368 33.001 0.367 17579 1109 1 2 . 1 1 87 87 VAL H H 122 7.152 7.152 7.492 -0.341 17579 1110 1 2 . 1 1 88 88 VAL N N 123 119.350 119.350 125.214 -5.864 17579 1111 1 2 . 1 1 88 88 VAL HA H 123 5.091 5.091 4.545 0.546 17579 1112 1 2 . 1 1 88 88 VAL C C 123 173.214 173.214 174.040 -0.826 17579 1113 1 2 . 1 1 88 88 VAL CA C 123 59.219 59.219 61.172 -1.953 17579 1114 1 2 . 1 1 88 88 VAL CB C 123 36.362 36.362 36.513 -0.151 17579 1115 1 2 . 1 1 88 88 VAL H H 123 8.851 8.851 8.761 0.090 17579 1116 1 2 . 1 1 89 89 PHE N N 124 122.568 122.568 125.418 -2.850 17579 1117 1 2 . 1 1 89 89 PHE HA H 124 5.613 5.613 5.243 0.370 17579 1118 1 2 . 1 1 89 89 PHE C C 124 174.887 174.887 175.026 -0.139 17579 1119 1 2 . 1 1 89 89 PHE CA C 124 52.961 52.961 56.126 -3.165 17579 1120 1 2 . 1 1 89 89 PHE CB C 124 42.788 42.788 42.210 0.578 17579 1121 1 2 . 1 1 89 89 PHE H H 124 9.051 9.051 9.232 -0.181 17579 1122 1 2 . 1 1 90 90 ILE N N 125 127.707 127.707 127.495 0.212 17579 1123 1 2 . 1 1 90 90 ILE HA H 125 4.264 4.264 4.270 -0.006 17579 1124 1 2 . 1 1 90 90 ILE C C 125 173.870 173.870 175.630 -1.760 17579 1125 1 2 . 1 1 90 90 ILE CA C 125 61.789 61.789 59.995 1.794 17579 1126 1 2 . 1 1 90 90 ILE CB C 125 39.785 39.785 38.080 1.705 17579 1127 1 2 . 1 1 90 90 ILE H H 125 9.477 9.477 9.401 0.076 17579 1128 1 2 . 1 1 91 91 VAL N N 126 126.579 126.579 119.416 7.163 17579 1129 1 2 . 1 1 91 91 VAL HA H 126 4.566 4.566 4.829 -0.263 17579 1130 1 2 . 1 1 91 91 VAL C C 126 173.829 173.829 173.521 0.308 17579 1131 1 2 . 1 1 91 91 VAL CA C 126 58.701 58.701 58.683 0.018 17579 1132 1 2 . 1 1 91 91 VAL CB C 126 32.989 32.989 34.347 -1.358 17579 1133 1 2 . 1 1 91 91 VAL H H 126 8.149 8.149 8.954 -0.805 17579 1134 1 2 . 1 1 92 92 PRO HA H 127 4.035 4.035 4.715 -0.680 17579 1135 1 2 . 1 1 92 92 PRO C C 127 177.766 177.766 177.484 0.282 17579 1136 1 2 . 1 1 92 92 PRO CA C 127 63.684 63.684 62.738 0.946 17579 1137 1 2 . 1 1 92 92 PRO CB C 127 32.178 32.178 32.587 -0.409 17579 1138 1 2 . 1 1 93 93 GLY N N 128 108.618 108.618 109.349 -0.731 17579 1139 1 2 . 1 1 93 93 GLY CA C 128 45.787 45.787 44.361 1.426 17579 1140 1 2 . 1 1 93 93 GLY H H 128 7.970 7.970 8.601 -0.631 17579 1141 1 2 . 1 1 94 94 SER N N 129 113.620 113.620 114.598 -0.978 17579 1142 1 2 . 1 1 94 94 SER HA H 129 4.317 4.317 4.434 -0.117 17579 1143 1 2 . 1 1 94 94 SER C C 129 180.379 180.379 174.905 5.474 17579 1144 1 2 . 1 1 94 94 SER CA C 129 58.566 58.566 57.654 0.912 17579 1145 1 2 . 1 1 94 94 SER H H 129 7.952 7.952 8.210 -0.258 17579 1146 1 2 . 1 1 95 95 ASN N N 130 120.775 120.775 118.199 2.576 17579 1147 1 2 . 1 1 95 95 ASN HA H 130 3.964 3.964 4.450 -0.486 17579 1148 1 2 . 1 1 95 95 ASN C C 130 178.664 178.664 177.369 1.295 17579 1149 1 2 . 1 1 95 95 ASN CA C 130 57.689 57.689 56.267 1.422 17579 1150 1 2 . 1 1 95 95 ASN CB C 130 42.288 42.288 38.090 4.198 17579 1151 1 2 . 1 1 95 95 ASN H H 130 8.300 8.300 8.564 -0.264 17579 1152 1 2 . 1 1 96 96 LYS N N 131 119.316 119.316 118.803 0.513 17579 1153 1 2 . 1 1 96 96 LYS HA H 131 4.095 4.095 4.032 0.063 17579 1154 1 2 . 1 1 96 96 LYS C C 131 178.290 178.290 178.092 0.198 17579 1155 1 2 . 1 1 96 96 LYS CA C 131 59.062 59.062 59.053 0.009 17579 1156 1 2 . 1 1 96 96 LYS CB C 131 29.745 29.745 32.361 -2.616 17579 1157 1 2 . 1 1 96 96 LYS H H 131 7.896 7.896 7.838 0.058 17579 1158 1 2 . 1 1 97 97 LYS N N 132 117.523 117.523 114.744 2.779 17579 1159 1 2 . 1 1 97 97 LYS C C 132 176.927 176.927 176.768 0.159 17579 1160 1 2 . 1 1 97 97 LYS CA C 132 58.555 58.555 57.134 1.421 17579 1161 1 2 . 1 1 97 97 LYS CB C 132 30.578 30.578 32.037 -1.459 17579 1162 1 2 . 1 1 97 97 LYS H H 132 7.791 7.791 7.491 0.300 17579 1163 1 2 . 1 1 98 98 LYS HA H 133 4.236 4.236 4.303 -0.067 17579 1164 1 2 . 1 1 98 98 LYS C C 133 176.606 176.606 176.796 -0.190 17579 1165 1 2 . 1 1 98 98 LYS CA C 133 57.225 57.225 57.613 -0.388 17579 1166 1 2 . 1 1 98 98 LYS CB C 133 33.151 33.151 34.059 -0.908 17579 1167 1 2 . 1 1 99 99 ASP N N 134 120.311 120.311 117.613 2.698 17579 1168 1 2 . 1 1 99 99 ASP HA H 134 4.584 4.584 4.721 -0.137 17579 1169 1 2 . 1 1 99 99 ASP C C 134 176.899 176.899 175.946 0.953 17579 1170 1 2 . 1 1 99 99 ASP CA C 134 54.402 54.402 53.212 1.190 17579 1171 1 2 . 1 1 99 99 ASP CB C 134 41.568 41.568 41.253 0.315 17579 1172 1 2 . 1 1 99 99 ASP H H 134 8.267 8.267 7.909 0.358 17579 1173 1 2 . 1 1 100 100 GLY N N 135 108.751 108.751 107.814 0.937 17579 1174 1 2 . 1 1 100 100 GLY C C 135 174.683 174.683 174.132 0.551 17579 1175 1 2 . 1 1 100 100 GLY CA C 135 45.985 45.985 44.226 1.759 17579 1176 1 2 . 1 1 100 100 GLY H H 135 8.235 8.235 7.341 0.894 17579 1177 1 2 . 1 1 101 101 LYS N N 136 120.306 120.306 122.676 -2.370 17579 1178 1 2 . 1 1 101 101 LYS HA H 136 4.279 4.279 4.121 0.158 17579 1179 1 2 . 1 1 101 101 LYS C C 136 175.145 175.145 176.198 -1.053 17579 1180 1 2 . 1 1 101 101 LYS CA C 136 56.875 56.875 57.010 -0.135 17579 1181 1 2 . 1 1 101 101 LYS CB C 136 32.987 32.987 31.140 1.847 17579 1182 1 2 . 1 1 101 101 LYS H H 136 8.148 8.148 8.555 -0.407 17579 1183 1 2 . 1 1 102 102 ASN N N 137 118.958 118.958 120.499 -1.541 17579 1184 1 2 . 1 1 102 102 ASN HA H 137 4.707 4.707 4.889 -0.182 17579 1185 1 2 . 1 1 102 102 ASN C C 137 175.849 175.849 174.937 0.912 17579 1186 1 2 . 1 1 102 102 ASN CA C 137 53.816 53.816 52.463 1.353 17579 1187 1 2 . 1 1 102 102 ASN CB C 137 39.070 39.070 41.426 -2.356 17579 1188 1 2 . 1 1 102 102 ASN H H 137 8.406 8.406 7.796 0.610 17579 1189 1 2 . 1 1 103 103 LYS N N 138 121.782 121.782 120.807 0.975 17579 1190 1 2 . 1 1 103 103 LYS HA H 138 4.255 4.255 4.131 0.124 17579 1191 1 2 . 1 1 103 103 LYS CA C 138 56.641 56.641 58.656 -2.014 17579 1192 1 2 . 1 1 103 103 LYS CB C 138 32.911 32.911 32.161 0.750 17579 1193 1 2 . 1 1 103 103 LYS H H 138 8.316 8.316 8.726 -0.410 17579 1194 1 2 . 1 1 104 104 GLU N N 139 121.053 121.053 119.924 1.129 17579 1195 1 2 . 1 1 104 104 GLU CA C 139 57.449 57.449 59.411 -1.962 17579 1196 1 2 . 1 1 104 104 GLU CB C 139 29.983 29.983 28.268 1.715 17579 1197 1 2 . 1 1 104 104 GLU H H 139 8.459 8.459 8.286 0.173 17579 1198 1 2 . 1 1 106 106 GLU N N 141 122.191 122.191 119.517 2.674 17579 1199 1 2 . 1 1 106 106 GLU HA H 141 4.268 4.268 3.990 0.278 17579 1200 1 2 . 1 1 106 106 GLU CA C 141 64.025 64.025 58.959 5.066 17579 1201 1 2 . 1 1 106 106 GLU CB C 141 32.117 32.117 28.950 3.167 17579 1202 1 2 . 1 1 106 106 GLU H H 141 8.291 8.291 8.485 -0.194 17579 1203 1 2 . 1 1 107 107 TYR N N 142 115.802 115.802 122.513 -6.711 17579 1204 1 2 . 1 1 107 107 TYR HA H 142 4.996 4.996 3.980 1.016 17579 1205 1 2 . 1 1 107 107 TYR C C 142 175.381 175.381 177.382 -2.001 17579 1206 1 2 . 1 1 107 107 TYR CA C 142 57.581 57.581 61.717 -4.136 17579 1207 1 2 . 1 1 107 107 TYR CB C 142 39.533 39.533 38.327 1.206 17579 1208 1 2 . 1 1 107 107 TYR H H 142 7.344 7.344 8.869 -1.525 17579 1209 1 2 . 1 1 108 108 LYS N N 143 123.473 123.473 118.888 4.585 17579 1210 1 2 . 1 1 108 108 LYS HA H 143 3.628 3.628 3.519 0.109 17579 1211 1 2 . 1 1 108 108 LYS C C 143 177.659 177.659 178.871 -1.212 17579 1212 1 2 . 1 1 108 108 LYS CA C 143 59.988 59.988 59.802 0.186 17579 1213 1 2 . 1 1 108 108 LYS CB C 143 32.294 32.294 32.194 0.100 17579 1214 1 2 . 1 1 108 108 LYS H H 143 7.376 7.376 8.286 -0.910 17579 1215 1 2 . 1 1 109 109 GLU N N 144 118.799 118.799 118.842 -0.043 17579 1216 1 2 . 1 1 109 109 GLU HA H 144 4.048 4.048 3.977 0.071 17579 1217 1 2 . 1 1 109 109 GLU C C 144 179.583 179.583 178.994 0.589 17579 1218 1 2 . 1 1 109 109 GLU CA C 144 60.200 60.200 59.214 0.986 17579 1219 1 2 . 1 1 109 109 GLU CB C 144 29.237 29.237 29.121 0.116 17579 1220 1 2 . 1 1 109 109 GLU H H 144 8.558 8.558 8.098 0.460 17579 1221 1 2 . 1 1 110 110 SER N N 145 116.121 116.121 115.337 0.784 17579 1222 1 2 . 1 1 110 110 SER HA H 145 4.319 4.319 4.157 0.162 17579 1223 1 2 . 1 1 110 110 SER C C 145 176.522 176.522 176.863 -0.341 17579 1224 1 2 . 1 1 110 110 SER CA C 145 61.990 61.990 61.684 0.306 17579 1225 1 2 . 1 1 110 110 SER CB C 145 63.293 63.293 63.077 0.216 17579 1226 1 2 . 1 1 110 110 SER H H 145 8.094 8.094 8.219 -0.125 17579 1227 1 2 . 1 1 111 111 PHE N N 146 122.311 122.311 122.339 -0.028 17579 1228 1 2 . 1 1 111 111 PHE HA H 146 4.021 4.021 4.109 -0.088 17579 1229 1 2 . 1 1 111 111 PHE C C 146 176.001 176.001 177.039 -1.038 17579 1230 1 2 . 1 1 111 111 PHE CA C 146 62.504 62.504 60.423 2.081 17579 1231 1 2 . 1 1 111 111 PHE CB C 146 39.861 39.861 38.400 1.461 17579 1232 1 2 . 1 1 111 111 PHE H H 146 8.536 8.536 8.679 -0.143 17579 1233 1 2 . 1 1 112 112 ASN N N 147 117.908 117.908 117.187 0.721 17579 1234 1 2 . 1 1 112 112 ASN HA H 147 4.252 4.252 4.161 0.091 17579 1235 1 2 . 1 1 112 112 ASN C C 147 178.315 178.315 177.402 0.913 17579 1236 1 2 . 1 1 112 112 ASN CA C 147 56.226 56.226 56.617 -0.391 17579 1237 1 2 . 1 1 112 112 ASN CB C 147 37.990 37.990 38.346 -0.356 17579 1238 1 2 . 1 1 112 112 ASN H H 147 8.795 8.795 8.656 0.139 17579 1239 1 2 . 1 1 113 113 GLU N N 148 119.868 119.868 120.137 -0.269 17579 1240 1 2 . 1 1 113 113 GLU HA H 148 4.024 4.024 4.038 -0.014 17579 1241 1 2 . 1 1 113 113 GLU C C 148 179.410 179.410 178.760 0.650 17579 1242 1 2 . 1 1 113 113 GLU CA C 148 59.710 59.710 59.549 0.161 17579 1243 1 2 . 1 1 113 113 GLU CB C 148 30.063 30.063 29.505 0.558 17579 1244 1 2 . 1 1 113 113 GLU H H 148 7.764 7.764 7.822 -0.058 17579 1245 1 2 . 1 1 114 114 VAL N N 149 119.684 119.684 118.583 1.101 17579 1246 1 2 . 1 1 114 114 VAL HA H 149 3.544 3.544 3.958 -0.414 17579 1247 1 2 . 1 1 114 114 VAL C C 149 177.613 177.613 178.227 -0.614 17579 1248 1 2 . 1 1 114 114 VAL CA C 149 66.977 66.977 64.945 2.032 17579 1249 1 2 . 1 1 114 114 VAL CB C 149 30.605 30.605 30.531 0.074 17579 1250 1 2 . 1 1 114 114 VAL H H 149 7.973 7.973 7.999 -0.026 17579 1251 1 2 . 1 1 115 115 VAL N N 150 119.782 119.782 121.425 -1.643 17579 1252 1 2 . 1 1 115 115 VAL HA H 150 3.164 3.164 3.384 -0.220 17579 1253 1 2 . 1 1 115 115 VAL C C 150 177.499 177.499 177.925 -0.426 17579 1254 1 2 . 1 1 115 115 VAL CA C 150 68.301 68.301 66.467 1.834 17579 1255 1 2 . 1 1 115 115 VAL CB C 150 31.483 31.483 30.294 1.188 17579 1256 1 2 . 1 1 115 115 VAL H H 150 8.452 8.452 8.338 0.114 17579 1257 1 2 . 1 1 116 116 LYS N N 151 118.842 118.842 118.945 -0.103 17579 1258 1 2 . 1 1 116 116 LYS HA H 151 4.024 4.024 3.840 0.184 17579 1259 1 2 . 1 1 116 116 LYS C C 151 179.862 179.862 179.290 0.572 17579 1260 1 2 . 1 1 116 116 LYS CA C 151 59.947 59.947 59.400 0.547 17579 1261 1 2 . 1 1 116 116 LYS CB C 151 32.481 32.481 31.848 0.633 17579 1262 1 2 . 1 1 116 116 LYS H H 151 7.595 7.595 7.788 -0.193 17579 1263 1 2 . 1 1 117 117 GLU N N 152 120.243 120.243 119.658 0.585 17579 1264 1 2 . 1 1 117 117 GLU HA H 152 4.052 4.052 4.015 0.037 17579 1265 1 2 . 1 1 117 117 GLU C C 152 179.528 179.528 178.923 0.605 17579 1266 1 2 . 1 1 117 117 GLU CA C 152 60.178 60.178 59.366 0.812 17579 1267 1 2 . 1 1 117 117 GLU CB C 152 29.949 29.949 29.601 0.348 17579 1268 1 2 . 1 1 117 117 GLU H H 152 7.513 7.513 7.950 -0.437 17579 1269 1 2 . 1 1 118 118 VAL N N 153 120.596 120.596 119.797 0.799 17579 1270 1 2 . 1 1 118 118 VAL HA H 153 3.464 3.464 3.580 -0.116 17579 1271 1 2 . 1 1 118 118 VAL C C 153 177.984 177.984 178.115 -0.131 17579 1272 1 2 . 1 1 118 118 VAL CA C 153 68.047 68.047 66.389 1.657 17579 1273 1 2 . 1 1 118 118 VAL CB C 153 32.056 32.056 31.177 0.879 17579 1274 1 2 . 1 1 118 118 VAL H H 153 8.649 8.649 7.771 0.878 17579 1275 1 2 . 1 1 119 119 GLN N N 154 118.317 118.317 118.326 -0.009 17579 1276 1 2 . 1 1 119 119 GLN HA H 154 3.986 3.986 4.076 -0.090 17579 1277 1 2 . 1 1 119 119 GLN C C 154 178.984 178.984 177.701 1.283 17579 1278 1 2 . 1 1 119 119 GLN CA C 154 59.716 59.716 57.986 1.730 17579 1279 1 2 . 1 1 119 119 GLN CB C 154 28.261 28.261 29.100 -0.839 17579 1280 1 2 . 1 1 119 119 GLN H H 154 8.947 8.947 8.049 0.898 17579 1281 1 2 . 1 1 120 120 ALA N N 155 120.688 120.688 121.673 -0.985 17579 1282 1 2 . 1 1 120 120 ALA HA H 155 3.484 3.484 4.145 -0.661 17579 1283 1 2 . 1 1 120 120 ALA C C 155 180.759 180.759 177.472 3.287 17579 1284 1 2 . 1 1 120 120 ALA CA C 155 55.257 55.257 53.262 1.995 17579 1285 1 2 . 1 1 120 120 ALA CB C 155 18.446 18.446 19.589 -1.143 17579 1286 1 2 . 1 1 120 120 ALA H H 155 7.494 7.494 7.628 -0.134 17579 1287 1 3 . 1 1 2 2 LYS N N 37 124.936 124.936 122.811 2.125 17579 1288 1 3 . 1 1 2 2 LYS HA H 37 4.053 4.053 3.996 0.057 17579 1289 1 3 . 1 1 2 2 LYS C C 37 172.929 172.929 177.805 -4.876 17579 1290 1 3 . 1 1 2 2 LYS CA C 37 60.975 60.975 59.126 1.849 17579 1291 1 3 . 1 1 2 2 LYS CB C 37 32.607 32.607 31.759 0.848 17579 1292 1 3 . 1 1 2 2 LYS H H 37 7.564 7.564 8.499 -0.935 17579 1293 1 3 . 1 1 3 3 LYS N N 38 118.300 118.300 118.303 -0.003 17579 1294 1 3 . 1 1 3 3 LYS HA H 38 4.045 4.045 4.014 0.031 17579 1295 1 3 . 1 1 3 3 LYS C C 38 179.361 179.361 178.621 0.740 17579 1296 1 3 . 1 1 3 3 LYS CA C 38 59.930 59.930 58.722 1.208 17579 1297 1 3 . 1 1 3 3 LYS CB C 38 32.885 32.885 31.752 1.133 17579 1298 1 3 . 1 1 3 3 LYS H H 38 8.234 8.234 8.232 0.002 17579 1299 1 3 . 1 1 4 4 LEU N N 39 122.081 122.081 121.627 0.454 17579 1300 1 3 . 1 1 4 4 LEU HA H 39 4.135 4.135 3.857 0.278 17579 1301 1 3 . 1 1 4 4 LEU C C 39 178.433 178.433 178.204 0.229 17579 1302 1 3 . 1 1 4 4 LEU CA C 39 57.726 57.726 57.999 -0.273 17579 1303 1 3 . 1 1 4 4 LEU CB C 39 40.588 40.588 41.678 -1.090 17579 1304 1 3 . 1 1 4 4 LEU H H 39 7.856 7.856 7.715 0.141 17579 1305 1 3 . 1 1 5 5 ASN N N 40 118.758 118.758 117.146 1.612 17579 1306 1 3 . 1 1 5 5 ASN HA H 40 3.994 3.994 4.158 -0.164 17579 1307 1 3 . 1 1 5 5 ASN C C 40 176.246 176.246 177.270 -1.024 17579 1308 1 3 . 1 1 5 5 ASN CA C 40 57.843 57.843 56.665 1.178 17579 1309 1 3 . 1 1 5 5 ASN CB C 40 40.430 40.430 38.393 2.037 17579 1310 1 3 . 1 1 5 5 ASN H H 40 9.241 9.241 7.807 1.434 17579 1311 1 3 . 1 1 6 6 LYS N N 41 115.665 115.665 119.950 -4.285 17579 1312 1 3 . 1 1 6 6 LYS HA H 41 3.929 3.929 3.814 0.115 17579 1313 1 3 . 1 1 6 6 LYS C C 41 179.318 179.318 179.044 0.274 17579 1314 1 3 . 1 1 6 6 LYS CA C 41 60.130 60.130 59.886 0.244 17579 1315 1 3 . 1 1 6 6 LYS CB C 41 32.580 32.580 32.234 0.346 17579 1316 1 3 . 1 1 6 6 LYS H H 41 7.239 7.239 7.809 -0.570 17579 1317 1 3 . 1 1 7 7 LYS N N 42 119.038 119.038 119.632 -0.594 17579 1318 1 3 . 1 1 7 7 LYS HA H 42 4.037 4.037 3.955 0.082 17579 1319 1 3 . 1 1 7 7 LYS C C 42 180.428 180.428 178.956 1.472 17579 1320 1 3 . 1 1 7 7 LYS CA C 42 60.178 60.178 59.614 0.564 17579 1321 1 3 . 1 1 7 7 LYS CB C 42 33.670 33.670 32.398 1.272 17579 1322 1 3 . 1 1 7 7 LYS H H 42 7.358 7.358 7.951 -0.593 17579 1323 1 3 . 1 1 8 8 VAL N N 43 122.489 122.489 119.365 3.124 17579 1324 1 3 . 1 1 8 8 VAL HA H 43 3.263 3.263 3.627 -0.364 17579 1325 1 3 . 1 1 8 8 VAL C C 43 177.823 177.823 178.346 -0.523 17579 1326 1 3 . 1 1 8 8 VAL CA C 43 67.836 67.836 66.632 1.204 17579 1327 1 3 . 1 1 8 8 VAL CB C 43 31.523 31.523 31.375 0.148 17579 1328 1 3 . 1 1 8 8 VAL H H 43 9.167 9.167 8.056 1.111 17579 1329 1 3 . 1 1 9 9 LEU N N 44 119.740 119.740 119.944 -0.204 17579 1330 1 3 . 1 1 9 9 LEU HA H 44 3.964 3.964 3.826 0.138 17579 1331 1 3 . 1 1 9 9 LEU C C 44 179.700 179.700 179.158 0.542 17579 1332 1 3 . 1 1 9 9 LEU CA C 44 58.742 58.742 58.688 0.055 17579 1333 1 3 . 1 1 9 9 LEU CB C 44 41.239 41.239 41.106 0.133 17579 1334 1 3 . 1 1 9 9 LEU H H 44 8.437 8.437 8.253 0.184 17579 1335 1 3 . 1 1 10 10 LYS N N 45 119.832 119.832 118.761 1.071 17579 1336 1 3 . 1 1 10 10 LYS HA H 45 4.013 4.013 4.012 0.001 17579 1337 1 3 . 1 1 10 10 LYS C C 45 178.847 178.847 179.268 -0.421 17579 1338 1 3 . 1 1 10 10 LYS CA C 45 60.146 60.146 59.778 0.368 17579 1339 1 3 . 1 1 10 10 LYS CB C 45 32.583 32.583 32.020 0.563 17579 1340 1 3 . 1 1 10 10 LYS H H 45 7.857 7.857 8.215 -0.358 17579 1341 1 3 . 1 1 11 11 THR N N 46 116.695 116.695 117.667 -0.972 17579 1342 1 3 . 1 1 11 11 THR HA H 46 4.327 4.327 4.153 0.174 17579 1343 1 3 . 1 1 11 11 THR C C 46 176.211 176.211 176.728 -0.517 17579 1344 1 3 . 1 1 11 11 THR CA C 46 68.237 68.237 66.998 1.239 17579 1345 1 3 . 1 1 11 11 THR CB C 46 68.312 68.312 68.898 -0.586 17579 1346 1 3 . 1 1 11 11 THR H H 46 7.796 7.796 8.111 -0.315 17579 1347 1 3 . 1 1 12 12 VAL N N 47 122.013 122.013 122.594 -0.581 17579 1348 1 3 . 1 1 12 12 VAL HA H 47 3.235 3.235 3.870 -0.635 17579 1349 1 3 . 1 1 12 12 VAL C C 47 177.909 177.909 177.298 0.611 17579 1350 1 3 . 1 1 12 12 VAL CA C 47 67.838 67.838 65.692 2.146 17579 1351 1 3 . 1 1 12 12 VAL CB C 47 31.706 31.706 31.529 0.176 17579 1352 1 3 . 1 1 12 12 VAL H H 47 8.762 8.762 8.251 0.511 17579 1353 1 3 . 1 1 13 13 LYS N N 48 118.035 118.035 118.871 -0.836 17579 1354 1 3 . 1 1 13 13 LYS HA H 48 3.828 3.828 4.034 -0.206 17579 1355 1 3 . 1 1 13 13 LYS CA C 48 59.960 59.960 59.376 0.584 17579 1356 1 3 . 1 1 13 13 LYS CB C 48 32.837 32.837 32.197 0.640 17579 1357 1 3 . 1 1 13 13 LYS H H 48 7.492 7.492 8.403 -0.911 17579 1358 1 3 . 1 1 14 14 LYS N N 49 120.565 120.565 117.636 2.929 17579 1359 1 3 . 1 1 14 14 LYS HA H 49 3.952 3.952 4.155 -0.203 17579 1360 1 3 . 1 1 14 14 LYS C C 49 179.608 179.608 178.973 0.635 17579 1361 1 3 . 1 1 14 14 LYS CA C 49 59.950 59.950 58.745 1.205 17579 1362 1 3 . 1 1 14 14 LYS CB C 49 33.723 33.723 32.880 0.843 17579 1363 1 3 . 1 1 14 14 LYS H H 49 7.498 7.498 7.817 -0.319 17579 1364 1 3 . 1 1 15 15 ALA N N 50 122.192 122.192 121.197 0.995 17579 1365 1 3 . 1 1 15 15 ALA HA H 50 3.467 3.467 3.819 -0.352 17579 1366 1 3 . 1 1 15 15 ALA C C 50 179.970 179.970 179.119 0.851 17579 1367 1 3 . 1 1 15 15 ALA CA C 50 54.950 54.950 54.008 0.942 17579 1368 1 3 . 1 1 15 15 ALA CB C 50 19.270 19.270 17.925 1.345 17579 1369 1 3 . 1 1 15 15 ALA H H 50 8.529 8.529 8.112 0.417 17579 1370 1 3 . 1 1 16 16 SER N N 51 116.624 116.624 114.327 2.297 17579 1371 1 3 . 1 1 16 16 SER HA H 51 4.696 4.696 4.113 0.583 17579 1372 1 3 . 1 1 16 16 SER C C 51 178.705 178.705 176.050 2.655 17579 1373 1 3 . 1 1 16 16 SER CA C 51 62.206 62.206 61.340 0.866 17579 1374 1 3 . 1 1 16 16 SER CB C 51 62.918 62.918 62.916 0.002 17579 1375 1 3 . 1 1 16 16 SER H H 51 8.542 8.542 8.102 0.440 17579 1376 1 3 . 1 1 17 17 LYS N N 52 124.866 124.866 120.363 4.503 17579 1377 1 3 . 1 1 17 17 LYS HA H 52 4.051 4.051 4.213 -0.162 17579 1378 1 3 . 1 1 17 17 LYS C C 52 177.563 177.563 177.096 0.467 17579 1379 1 3 . 1 1 17 17 LYS CA C 52 59.290 59.290 57.606 1.684 17579 1380 1 3 . 1 1 17 17 LYS CB C 52 32.104 32.104 32.767 -0.663 17579 1381 1 3 . 1 1 17 17 LYS H H 52 7.553 7.553 7.438 0.115 17579 1382 1 3 . 1 1 18 18 ALA N N 53 118.801 118.801 119.906 -1.105 17579 1383 1 3 . 1 1 18 18 ALA HA H 53 4.280 4.280 4.311 -0.031 17579 1384 1 3 . 1 1 18 18 ALA C C 53 175.253 175.253 176.714 -1.461 17579 1385 1 3 . 1 1 18 18 ALA CA C 53 52.222 52.222 51.689 0.533 17579 1386 1 3 . 1 1 18 18 ALA CB C 53 19.566 19.566 19.317 0.249 17579 1387 1 3 . 1 1 18 18 ALA H H 53 7.092 7.092 7.443 -0.351 17579 1388 1 3 . 1 1 19 19 LYS N N 54 112.119 112.119 116.945 -4.826 17579 1389 1 3 . 1 1 19 19 LYS HA H 54 4.027 4.027 3.929 0.098 17579 1390 1 3 . 1 1 19 19 LYS C C 54 177.191 177.191 175.161 2.030 17579 1391 1 3 . 1 1 19 19 LYS CA C 54 57.435 57.435 56.852 0.583 17579 1392 1 3 . 1 1 19 19 LYS CB C 54 28.420 28.420 30.252 -1.832 17579 1393 1 3 . 1 1 19 19 LYS H H 54 7.644 7.644 7.624 0.020 17579 1394 1 3 . 1 1 20 20 ASN N N 55 116.236 116.236 115.921 0.315 17579 1395 1 3 . 1 1 20 20 ASN HA H 55 5.090 5.090 4.729 0.361 17579 1396 1 3 . 1 1 20 20 ASN C C 55 173.176 173.176 174.336 -1.160 17579 1397 1 3 . 1 1 20 20 ASN CA C 55 51.617 51.617 53.923 -2.307 17579 1398 1 3 . 1 1 20 20 ASN CB C 55 40.642 40.642 40.577 0.065 17579 1399 1 3 . 1 1 20 20 ASN H H 55 8.099 8.099 7.894 0.205 17579 1400 1 3 . 1 1 21 21 VAL N N 56 115.268 115.268 121.154 -5.886 17579 1401 1 3 . 1 1 21 21 VAL HA H 56 4.864 4.864 4.115 0.749 17579 1402 1 3 . 1 1 21 21 VAL C C 56 175.526 175.526 174.871 0.655 17579 1403 1 3 . 1 1 21 21 VAL CA C 56 61.314 61.314 61.742 -0.428 17579 1404 1 3 . 1 1 21 21 VAL CB C 56 35.532 35.532 32.421 3.111 17579 1405 1 3 . 1 1 21 21 VAL H H 56 7.621 7.621 7.840 -0.219 17579 1406 1 3 . 1 1 22 22 LYS N N 57 126.903 126.903 130.335 -3.432 17579 1407 1 3 . 1 1 22 22 LYS HA H 57 4.682 4.682 4.694 -0.012 17579 1408 1 3 . 1 1 22 22 LYS C C 57 175.564 175.564 175.098 0.466 17579 1409 1 3 . 1 1 22 22 LYS CA C 57 54.694 54.694 54.085 0.609 17579 1410 1 3 . 1 1 22 22 LYS CB C 57 33.975 33.975 33.431 0.544 17579 1411 1 3 . 1 1 22 22 LYS H H 57 9.006 9.006 8.499 0.507 17579 1412 1 3 . 1 1 23 23 ARG N N 58 122.053 122.053 123.441 -1.388 17579 1413 1 3 . 1 1 23 23 ARG HA H 58 4.850 4.850 4.600 0.250 17579 1414 1 3 . 1 1 23 23 ARG C C 58 176.136 176.136 176.620 -0.484 17579 1415 1 3 . 1 1 23 23 ARG CA C 58 56.100 56.100 55.033 1.067 17579 1416 1 3 . 1 1 23 23 ARG CB C 58 33.752 33.752 31.587 2.165 17579 1417 1 3 . 1 1 23 23 ARG H H 58 8.994 8.994 8.874 0.120 17579 1418 1 3 . 1 1 24 24 GLY N N 59 110.836 110.836 109.880 0.956 17579 1419 1 3 . 1 1 24 24 GLY C C 59 173.053 173.053 174.045 -0.992 17579 1420 1 3 . 1 1 24 24 GLY CA C 59 45.028 45.028 44.472 0.556 17579 1421 1 3 . 1 1 24 24 GLY H H 59 8.205 8.205 8.708 -0.503 17579 1422 1 3 . 1 1 25 25 VAL N N 60 119.573 119.573 121.558 -1.985 17579 1423 1 3 . 1 1 25 25 VAL HA H 60 4.117 4.117 3.722 0.395 17579 1424 1 3 . 1 1 25 25 VAL C C 60 176.366 176.366 177.390 -1.024 17579 1425 1 3 . 1 1 25 25 VAL CA C 60 67.542 67.542 65.298 2.244 17579 1426 1 3 . 1 1 25 25 VAL CB C 60 32.147 32.147 31.654 0.493 17579 1427 1 3 . 1 1 25 25 VAL H H 60 8.219 8.219 8.493 -0.274 17579 1428 1 3 . 1 1 26 26 LYS N N 61 117.987 117.987 119.351 -1.364 17579 1429 1 3 . 1 1 26 26 LYS HA H 61 3.896 3.896 4.080 -0.184 17579 1430 1 3 . 1 1 26 26 LYS C C 61 180.230 180.230 178.485 1.745 17579 1431 1 3 . 1 1 26 26 LYS CA C 61 60.492 60.492 59.725 0.767 17579 1432 1 3 . 1 1 26 26 LYS CB C 61 32.356 32.356 32.041 0.314 17579 1433 1 3 . 1 1 26 26 LYS H H 61 8.112 8.112 8.460 -0.348 17579 1434 1 3 . 1 1 27 27 GLU N N 62 117.610 117.610 118.891 -1.281 17579 1435 1 3 . 1 1 27 27 GLU HA H 62 3.937 3.937 4.099 -0.162 17579 1436 1 3 . 1 1 27 27 GLU C C 62 180.103 180.103 179.101 1.002 17579 1437 1 3 . 1 1 27 27 GLU CA C 62 59.119 59.119 59.742 -0.623 17579 1438 1 3 . 1 1 27 27 GLU CB C 62 30.052 30.052 28.974 1.078 17579 1439 1 3 . 1 1 27 27 GLU H H 62 8.493 8.493 8.185 0.308 17579 1440 1 3 . 1 1 28 28 VAL N N 63 120.585 120.585 118.424 2.161 17579 1441 1 3 . 1 1 28 28 VAL HA H 63 3.478 3.478 4.033 -0.555 17579 1442 1 3 . 1 1 28 28 VAL C C 63 176.970 176.970 177.950 -0.980 17579 1443 1 3 . 1 1 28 28 VAL CA C 63 68.197 68.197 66.295 1.902 17579 1444 1 3 . 1 1 28 28 VAL CB C 63 31.632 31.632 30.795 0.837 17579 1445 1 3 . 1 1 28 28 VAL H H 63 8.241 8.241 8.222 0.019 17579 1446 1 3 . 1 1 29 29 VAL N N 64 118.622 118.622 120.695 -2.073 17579 1447 1 3 . 1 1 29 29 VAL HA H 64 3.333 3.333 3.688 -0.355 17579 1448 1 3 . 1 1 29 29 VAL C C 64 177.709 177.709 178.435 -0.726 17579 1449 1 3 . 1 1 29 29 VAL CA C 64 67.751 67.751 66.880 0.871 17579 1450 1 3 . 1 1 29 29 VAL CB C 64 31.553 31.553 30.816 0.737 17579 1451 1 3 . 1 1 29 29 VAL H H 64 8.510 8.510 8.116 0.394 17579 1452 1 3 . 1 1 30 30 LYS N N 65 118.138 118.138 119.874 -1.736 17579 1453 1 3 . 1 1 30 30 LYS HA H 65 3.855 3.855 4.013 -0.158 17579 1454 1 3 . 1 1 30 30 LYS C C 65 178.693 178.693 178.816 -0.123 17579 1455 1 3 . 1 1 30 30 LYS CA C 65 59.986 59.986 59.800 0.186 17579 1456 1 3 . 1 1 30 30 LYS CB C 65 32.800 32.800 32.289 0.511 17579 1457 1 3 . 1 1 30 30 LYS H H 65 7.533 7.533 8.009 -0.476 17579 1458 1 3 . 1 1 31 31 ALA N N 66 120.585 120.585 121.781 -1.196 17579 1459 1 3 . 1 1 31 31 ALA HA H 66 4.049 4.049 4.145 -0.096 17579 1460 1 3 . 1 1 31 31 ALA C C 66 179.745 179.745 178.792 0.953 17579 1461 1 3 . 1 1 31 31 ALA CA C 66 55.288 55.288 54.591 0.697 17579 1462 1 3 . 1 1 31 31 ALA CB C 66 19.207 19.207 18.404 0.803 17579 1463 1 3 . 1 1 31 31 ALA H H 66 7.489 7.489 8.222 -0.733 17579 1464 1 3 . 1 1 32 32 LEU N N 67 119.402 119.402 115.154 4.248 17579 1465 1 3 . 1 1 32 32 LEU HA H 67 3.976 3.976 4.218 -0.242 17579 1466 1 3 . 1 1 32 32 LEU C C 67 180.917 180.917 178.678 2.239 17579 1467 1 3 . 1 1 32 32 LEU CA C 67 58.115 58.115 56.964 1.151 17579 1468 1 3 . 1 1 32 32 LEU CB C 67 42.554 42.554 41.909 0.645 17579 1469 1 3 . 1 1 32 32 LEU H H 67 8.332 8.332 7.608 0.724 17579 1470 1 3 . 1 1 33 33 ARG N N 68 116.408 116.408 119.156 -2.748 17579 1471 1 3 . 1 1 33 33 ARG HA H 68 3.787 3.787 4.190 -0.403 17579 1472 1 3 . 1 1 33 33 ARG C C 68 178.472 178.472 178.222 0.250 17579 1473 1 3 . 1 1 33 33 ARG CA C 68 59.581 59.581 58.432 1.149 17579 1474 1 3 . 1 1 33 33 ARG CB C 68 29.946 29.946 30.591 -0.645 17579 1475 1 3 . 1 1 33 33 ARG H H 68 8.147 8.147 8.097 0.050 17579 1476 1 3 . 1 1 34 34 LYS N N 69 117.866 117.866 117.953 -0.087 17579 1477 1 3 . 1 1 34 34 LYS HA H 69 4.232 4.232 4.218 0.014 17579 1478 1 3 . 1 1 34 34 LYS C C 69 177.005 177.005 177.198 -0.193 17579 1479 1 3 . 1 1 34 34 LYS CA C 69 56.788 56.788 57.084 -0.297 17579 1480 1 3 . 1 1 34 34 LYS CB C 69 33.008 33.008 32.364 0.645 17579 1481 1 3 . 1 1 34 34 LYS H H 69 7.606 7.606 8.174 -0.568 17579 1482 1 3 . 1 1 35 35 GLY N N 70 106.799 106.799 104.292 2.507 17579 1483 1 3 . 1 1 35 35 GLY C C 70 175.547 175.547 174.551 0.996 17579 1484 1 3 . 1 1 35 35 GLY CA C 70 45.969 45.969 45.199 0.770 17579 1485 1 3 . 1 1 35 35 GLY H H 70 7.678 7.678 7.890 -0.212 17579 1486 1 3 . 1 1 36 36 GLU N N 71 119.492 119.492 122.477 -2.985 17579 1487 1 3 . 1 1 36 36 GLU HA H 71 4.199 4.199 4.395 -0.196 17579 1488 1 3 . 1 1 36 36 GLU C C 71 175.625 175.625 175.361 0.264 17579 1489 1 3 . 1 1 36 36 GLU CA C 71 57.696 57.696 55.020 2.676 17579 1490 1 3 . 1 1 36 36 GLU CB C 71 29.620 29.620 28.004 1.616 17579 1491 1 3 . 1 1 36 36 GLU H H 71 7.686 7.686 8.455 -0.769 17579 1492 1 3 . 1 1 37 37 LYS N N 72 118.433 118.433 122.021 -3.588 17579 1493 1 3 . 1 1 37 37 LYS HA H 72 4.863 4.863 4.390 0.473 17579 1494 1 3 . 1 1 37 37 LYS C C 72 175.983 175.983 176.132 -0.149 17579 1495 1 3 . 1 1 37 37 LYS CA C 72 54.299 54.299 54.184 0.115 17579 1496 1 3 . 1 1 37 37 LYS CB C 72 35.140 35.140 33.893 1.247 17579 1497 1 3 . 1 1 37 37 LYS H H 72 8.202 8.202 7.672 0.530 17579 1498 1 3 . 1 1 38 38 GLY N N 73 104.719 104.719 107.446 -2.727 17579 1499 1 3 . 1 1 38 38 GLY C C 73 172.071 172.071 173.407 -1.336 17579 1500 1 3 . 1 1 38 38 GLY CA C 73 46.798 46.798 45.934 0.864 17579 1501 1 3 . 1 1 38 38 GLY H H 73 7.214 7.214 8.915 -1.701 17579 1502 1 3 . 1 1 39 39 LEU N N 74 125.471 125.471 122.952 2.519 17579 1503 1 3 . 1 1 39 39 LEU HA H 74 4.992 4.992 5.003 -0.011 17579 1504 1 3 . 1 1 39 39 LEU C C 74 174.651 174.651 174.712 -0.061 17579 1505 1 3 . 1 1 39 39 LEU CA C 74 54.686 54.686 54.834 -0.148 17579 1506 1 3 . 1 1 39 39 LEU CB C 74 47.360 47.360 45.978 1.382 17579 1507 1 3 . 1 1 39 39 LEU H H 74 8.930 8.930 8.353 0.577 17579 1508 1 3 . 1 1 40 40 VAL N N 75 130.975 130.975 128.802 2.173 17579 1509 1 3 . 1 1 40 40 VAL HA H 75 4.649 4.649 4.011 0.638 17579 1510 1 3 . 1 1 40 40 VAL C C 75 173.868 173.868 175.346 -1.478 17579 1511 1 3 . 1 1 40 40 VAL CA C 75 62.513 62.513 60.035 2.478 17579 1512 1 3 . 1 1 40 40 VAL CB C 75 32.856 32.856 30.124 2.732 17579 1513 1 3 . 1 1 40 40 VAL H H 75 8.549 8.549 8.916 -0.367 17579 1514 1 3 . 1 1 41 41 VAL N N 76 127.452 127.452 129.480 -2.028 17579 1515 1 3 . 1 1 41 41 VAL HA H 76 4.645 4.645 4.420 0.225 17579 1516 1 3 . 1 1 41 41 VAL C C 76 173.931 173.931 175.388 -1.457 17579 1517 1 3 . 1 1 41 41 VAL CA C 76 61.015 61.015 61.179 -0.164 17579 1518 1 3 . 1 1 41 41 VAL CB C 76 33.844 33.844 30.929 2.915 17579 1519 1 3 . 1 1 41 41 VAL H H 76 8.754 8.754 8.401 0.353 17579 1520 1 3 . 1 1 42 42 ILE N N 77 126.301 126.301 127.908 -1.607 17579 1521 1 3 . 1 1 42 42 ILE HA H 77 4.455 4.455 5.135 -0.680 17579 1522 1 3 . 1 1 42 42 ILE C C 77 174.965 174.965 174.829 0.136 17579 1523 1 3 . 1 1 42 42 ILE CA C 77 59.842 59.842 57.883 1.959 17579 1524 1 3 . 1 1 42 42 ILE CB C 77 40.257 40.257 41.085 -0.828 17579 1525 1 3 . 1 1 42 42 ILE H H 77 8.530 8.530 8.815 -0.285 17579 1526 1 3 . 1 1 43 43 ALA N N 78 128.716 128.716 128.418 0.298 17579 1527 1 3 . 1 1 43 43 ALA HA H 78 4.469 4.469 4.982 -0.513 17579 1528 1 3 . 1 1 43 43 ALA C C 78 177.979 177.979 179.078 -1.099 17579 1529 1 3 . 1 1 43 43 ALA CA C 78 52.398 52.398 50.486 1.911 17579 1530 1 3 . 1 1 43 43 ALA CB C 78 19.600 19.600 19.178 0.422 17579 1531 1 3 . 1 1 43 43 ALA H H 78 8.538 8.538 8.391 0.147 17579 1532 1 3 . 1 1 44 44 GLY N N 79 104.343 104.343 111.835 -7.492 17579 1533 1 3 . 1 1 44 44 GLY C C 79 173.472 173.472 174.492 -1.020 17579 1534 1 3 . 1 1 44 44 GLY CA C 79 46.239 46.239 47.069 -0.830 17579 1535 1 3 . 1 1 44 44 GLY H H 79 9.090 9.090 8.549 0.541 17579 1536 1 3 . 1 1 45 45 ASP N N 80 118.154 118.154 118.848 -0.694 17579 1537 1 3 . 1 1 45 45 ASP HA H 80 4.855 4.855 4.710 0.145 17579 1538 1 3 . 1 1 45 45 ASP C C 80 176.500 176.500 175.127 1.373 17579 1539 1 3 . 1 1 45 45 ASP CA C 80 52.804 52.804 54.229 -1.425 17579 1540 1 3 . 1 1 45 45 ASP CB C 80 39.410 39.410 41.832 -2.422 17579 1541 1 3 . 1 1 45 45 ASP H H 80 8.603 8.603 8.555 0.048 17579 1542 1 3 . 1 1 46 46 ILE N N 81 118.477 118.477 121.357 -2.880 17579 1543 1 3 . 1 1 46 46 ILE HA H 81 4.073 4.073 4.343 -0.270 17579 1544 1 3 . 1 1 46 46 ILE C C 81 173.822 173.822 173.563 0.259 17579 1545 1 3 . 1 1 46 46 ILE CA C 81 59.882 59.882 60.857 -0.975 17579 1546 1 3 . 1 1 46 46 ILE CB C 81 39.136 39.136 40.385 -1.249 17579 1547 1 3 . 1 1 46 46 ILE H H 81 6.846 6.846 7.528 -0.682 17579 1548 1 3 . 1 1 47 47 SER N N 82 117.552 117.552 120.950 -3.398 17579 1549 1 3 . 1 1 47 47 SER HA H 82 4.628 4.628 4.753 -0.125 17579 1550 1 3 . 1 1 47 47 SER C C 82 176.920 176.920 172.404 4.516 17579 1551 1 3 . 1 1 47 47 SER CA C 82 55.444 55.444 56.014 -0.570 17579 1552 1 3 . 1 1 47 47 SER CB C 82 65.268 65.268 64.763 0.505 17579 1553 1 3 . 1 1 47 47 SER H H 82 7.774 7.774 8.296 -0.522 17579 1554 1 3 . 1 1 48 48 PRO HA H 83 4.259 4.259 4.557 -0.298 17579 1555 1 3 . 1 1 48 48 PRO CA C 83 62.312 62.312 62.771 -0.459 17579 1556 1 3 . 1 1 48 48 PRO CB C 83 30.564 30.564 32.111 -1.547 17579 1557 1 3 . 1 1 49 49 ALA N N 84 122.207 122.207 120.300 1.907 17579 1558 1 3 . 1 1 49 49 ALA HA H 84 3.978 3.978 4.233 -0.255 17579 1559 1 3 . 1 1 49 49 ALA C C 84 178.699 178.699 178.405 0.294 17579 1560 1 3 . 1 1 49 49 ALA CA C 84 54.704 54.704 53.800 0.904 17579 1561 1 3 . 1 1 49 49 ALA CB C 84 19.393 19.393 18.898 0.495 17579 1562 1 3 . 1 1 49 49 ALA H H 84 8.091 8.091 8.367 -0.276 17579 1563 1 3 . 1 1 50 50 ASP N N 85 113.440 113.440 119.085 -5.645 17579 1564 1 3 . 1 1 50 50 ASP HA H 85 4.338 4.338 4.594 -0.256 17579 1565 1 3 . 1 1 50 50 ASP C C 85 177.723 177.723 177.825 -0.102 17579 1566 1 3 . 1 1 50 50 ASP CA C 85 56.203 56.203 55.125 1.078 17579 1567 1 3 . 1 1 50 50 ASP CB C 85 40.562 40.562 39.850 0.712 17579 1568 1 3 . 1 1 50 50 ASP H H 85 8.148 8.148 8.765 -0.617 17579 1569 1 3 . 1 1 51 51 VAL N N 86 116.604 116.604 120.981 -4.377 17579 1570 1 3 . 1 1 51 51 VAL HA H 86 3.925 3.925 3.628 0.297 17579 1571 1 3 . 1 1 51 51 VAL C C 86 176.966 176.966 177.226 -0.260 17579 1572 1 3 . 1 1 51 51 VAL CA C 86 65.241 65.241 66.015 -0.774 17579 1573 1 3 . 1 1 51 51 VAL CB C 86 32.467 32.467 31.927 0.539 17579 1574 1 3 . 1 1 51 51 VAL H H 86 7.538 7.538 7.283 0.255 17579 1575 1 3 . 1 1 52 52 ILE N N 87 108.211 108.211 117.594 -9.383 17579 1576 1 3 . 1 1 52 52 ILE HA H 87 4.565 4.565 3.953 0.612 17579 1577 1 3 . 1 1 52 52 ILE C C 87 178.116 178.116 176.853 1.263 17579 1578 1 3 . 1 1 52 52 ILE CA C 87 60.165 60.165 63.323 -3.158 17579 1579 1 3 . 1 1 52 52 ILE CB C 87 41.048 41.048 37.543 3.505 17579 1580 1 3 . 1 1 52 52 ILE H H 87 7.283 7.283 7.750 -0.467 17579 1581 1 3 . 1 1 53 53 SER N N 88 116.088 116.088 114.749 1.339 17579 1582 1 3 . 1 1 53 53 SER HA H 88 4.538 4.538 4.512 0.026 17579 1583 1 3 . 1 1 53 53 SER CA C 88 61.852 61.852 59.377 2.474 17579 1584 1 3 . 1 1 53 53 SER CB C 88 62.604 62.604 64.058 -1.454 17579 1585 1 3 . 1 1 53 53 SER H H 88 7.845 7.845 7.983 -0.138 17579 1586 1 3 . 1 1 54 54 HIS N N 89 121.004 121.004 120.562 0.442 17579 1587 1 3 . 1 1 54 54 HIS HA H 89 4.590 4.590 4.640 -0.050 17579 1588 1 3 . 1 1 54 54 HIS C C 89 176.530 176.530 176.621 -0.091 17579 1589 1 3 . 1 1 54 54 HIS CA C 89 56.554 56.554 57.172 -0.618 17579 1590 1 3 . 1 1 54 54 HIS CB C 89 33.261 33.261 31.970 1.291 17579 1591 1 3 . 1 1 54 54 HIS H H 89 8.450 8.450 7.908 0.542 17579 1592 1 3 . 1 1 55 55 ILE N N 90 123.909 123.909 122.315 1.594 17579 1593 1 3 . 1 1 55 55 ILE HA H 90 4.583 4.583 3.528 1.055 17579 1594 1 3 . 1 1 55 55 ILE CA C 90 62.230 62.230 65.773 -3.543 17579 1595 1 3 . 1 1 55 55 ILE CB C 90 42.418 42.418 34.971 7.447 17579 1596 1 3 . 1 1 55 55 ILE H H 90 8.142 8.142 8.279 -0.137 17579 1597 1 3 . 1 1 56 56 PRO HA H 91 2.974 2.974 4.252 -1.278 17579 1598 1 3 . 1 1 56 56 PRO C C 91 177.132 177.132 178.867 -1.735 17579 1599 1 3 . 1 1 56 56 PRO CA C 91 66.917 66.917 65.990 0.926 17579 1600 1 3 . 1 1 56 56 PRO CB C 91 31.519 31.519 31.035 0.484 17579 1601 1 3 . 1 1 57 57 VAL N N 92 114.761 114.761 119.196 -4.435 17579 1602 1 3 . 1 1 57 57 VAL HA H 92 3.570 3.570 3.777 -0.207 17579 1603 1 3 . 1 1 57 57 VAL C C 92 177.995 177.995 177.918 0.077 17579 1604 1 3 . 1 1 57 57 VAL CA C 92 66.358 66.358 65.997 0.361 17579 1605 1 3 . 1 1 57 57 VAL CB C 92 31.694 31.694 31.517 0.177 17579 1606 1 3 . 1 1 57 57 VAL H H 92 6.505 6.505 7.588 -1.083 17579 1607 1 3 . 1 1 58 58 LEU N N 93 120.572 120.572 119.208 1.364 17579 1608 1 3 . 1 1 58 58 LEU HA H 93 4.200 4.200 4.083 0.117 17579 1609 1 3 . 1 1 58 58 LEU C C 93 180.452 180.452 178.463 1.989 17579 1610 1 3 . 1 1 58 58 LEU CA C 93 57.938 57.938 58.040 -0.102 17579 1611 1 3 . 1 1 58 58 LEU CB C 93 43.394 43.394 40.997 2.397 17579 1612 1 3 . 1 1 58 58 LEU H H 93 7.432 7.432 8.172 -0.740 17579 1613 1 3 . 1 1 59 59 CYS N N 94 117.330 117.330 118.715 -1.385 17579 1614 1 3 . 1 1 59 59 CYS HA H 94 3.827 3.827 4.128 -0.301 17579 1615 1 3 . 1 1 59 59 CYS C C 94 177.986 177.986 176.257 1.729 17579 1616 1 3 . 1 1 59 59 CYS CA C 94 65.483 65.483 63.541 1.942 17579 1617 1 3 . 1 1 59 59 CYS CB C 94 26.552 26.552 27.066 -0.514 17579 1618 1 3 . 1 1 59 59 CYS H H 94 8.423 8.423 8.024 0.399 17579 1619 1 3 . 1 1 60 60 GLU N N 95 120.766 120.766 119.965 0.801 17579 1620 1 3 . 1 1 60 60 GLU HA H 95 3.512 3.512 4.175 -0.663 17579 1621 1 3 . 1 1 60 60 GLU C C 95 180.736 180.736 177.526 3.210 17579 1622 1 3 . 1 1 60 60 GLU CA C 95 59.909 59.909 58.529 1.380 17579 1623 1 3 . 1 1 60 60 GLU CB C 95 29.108 29.108 29.437 -0.329 17579 1624 1 3 . 1 1 60 60 GLU H H 95 8.237 8.237 7.939 0.298 17579 1625 1 3 . 1 1 61 61 ASP N N 96 120.591 120.591 118.259 2.332 17579 1626 1 3 . 1 1 61 61 ASP HA H 96 4.311 4.311 4.458 -0.147 17579 1627 1 3 . 1 1 61 61 ASP C C 96 178.004 178.004 177.651 0.353 17579 1628 1 3 . 1 1 61 61 ASP CA C 96 57.549 57.549 56.022 1.527 17579 1629 1 3 . 1 1 61 61 ASP CB C 96 41.083 41.083 41.282 -0.199 17579 1630 1 3 . 1 1 61 61 ASP H H 96 8.345 8.345 7.879 0.466 17579 1631 1 3 . 1 1 62 62 HIS N N 97 115.844 115.844 115.208 0.636 17579 1632 1 3 . 1 1 62 62 HIS HA H 97 4.575 4.575 4.866 -0.291 17579 1633 1 3 . 1 1 62 62 HIS C C 97 173.728 173.728 174.504 -0.776 17579 1634 1 3 . 1 1 62 62 HIS CA C 97 57.418 57.418 56.133 1.285 17579 1635 1 3 . 1 1 62 62 HIS CB C 97 30.067 30.067 32.757 -2.690 17579 1636 1 3 . 1 1 62 62 HIS H H 97 7.663 7.663 7.837 -0.174 17579 1637 1 3 . 1 1 63 63 SER N N 98 114.813 114.813 115.579 -0.766 17579 1638 1 3 . 1 1 63 63 SER HA H 98 4.097 4.097 4.154 -0.057 17579 1639 1 3 . 1 1 63 63 SER C C 98 173.789 173.789 172.713 1.076 17579 1640 1 3 . 1 1 63 63 SER CA C 98 59.255 59.255 59.359 -0.104 17579 1641 1 3 . 1 1 63 63 SER CB C 98 61.602 61.602 62.354 -0.752 17579 1642 1 3 . 1 1 63 63 SER H H 98 7.861 7.861 8.287 -0.426 17579 1643 1 3 . 1 1 64 64 VAL N N 99 123.227 123.227 122.571 0.656 17579 1644 1 3 . 1 1 64 64 VAL HA H 99 4.157 4.157 4.624 -0.467 17579 1645 1 3 . 1 1 64 64 VAL C C 99 174.345 174.345 174.320 0.025 17579 1646 1 3 . 1 1 64 64 VAL CA C 99 58.923 58.923 58.801 0.122 17579 1647 1 3 . 1 1 64 64 VAL CB C 99 35.133 35.133 36.004 -0.871 17579 1648 1 3 . 1 1 64 64 VAL H H 99 8.603 8.603 8.343 0.260 17579 1649 1 3 . 1 1 65 65 PRO HA H 100 4.260 4.260 4.512 -0.252 17579 1650 1 3 . 1 1 65 65 PRO C C 100 173.335 173.335 175.181 -1.846 17579 1651 1 3 . 1 1 65 65 PRO CA C 100 63.165 63.165 63.069 0.096 17579 1652 1 3 . 1 1 65 65 PRO CB C 100 32.083 32.083 29.723 2.360 17579 1653 1 3 . 1 1 66 66 TYR N N 101 114.840 114.840 124.825 -9.985 17579 1654 1 3 . 1 1 66 66 TYR HA H 101 5.900 5.900 4.764 1.136 17579 1655 1 3 . 1 1 66 66 TYR C C 101 170.503 170.503 173.235 -2.732 17579 1656 1 3 . 1 1 66 66 TYR CA C 101 53.986 53.986 56.664 -2.679 17579 1657 1 3 . 1 1 66 66 TYR CB C 101 41.998 41.998 40.726 1.272 17579 1658 1 3 . 1 1 66 66 TYR H H 101 6.219 6.219 8.029 -1.810 17579 1659 1 3 . 1 1 67 67 ILE N N 102 112.118 112.118 124.473 -12.355 17579 1660 1 3 . 1 1 67 67 ILE HA H 102 4.488 4.488 4.152 0.336 17579 1661 1 3 . 1 1 67 67 ILE C C 102 171.963 171.963 173.131 -1.168 17579 1662 1 3 . 1 1 67 67 ILE CA C 102 55.343 55.343 58.666 -3.323 17579 1663 1 3 . 1 1 67 67 ILE CB C 102 43.317 43.317 42.042 1.275 17579 1664 1 3 . 1 1 67 67 ILE H H 102 7.954 7.954 8.575 -0.621 17579 1665 1 3 . 1 1 68 68 PHE N N 103 122.272 122.272 124.032 -1.760 17579 1666 1 3 . 1 1 68 68 PHE HA H 103 5.945 5.945 5.358 0.587 17579 1667 1 3 . 1 1 68 68 PHE C C 103 176.374 176.374 173.776 2.598 17579 1668 1 3 . 1 1 68 68 PHE CA C 103 56.520 56.520 54.837 1.683 17579 1669 1 3 . 1 1 68 68 PHE CB C 103 40.518 40.518 41.736 -1.218 17579 1670 1 3 . 1 1 68 68 PHE H H 103 8.087 8.087 7.939 0.148 17579 1671 1 3 . 1 1 69 69 ILE N N 104 114.672 114.672 116.541 -1.869 17579 1672 1 3 . 1 1 69 69 ILE HA H 104 2.991 2.991 4.494 -1.503 17579 1673 1 3 . 1 1 69 69 ILE C C 104 175.387 175.387 174.120 1.267 17579 1674 1 3 . 1 1 69 69 ILE CA C 104 57.903 57.903 58.022 -0.119 17579 1675 1 3 . 1 1 69 69 ILE CB C 104 38.207 38.207 40.714 -2.507 17579 1676 1 3 . 1 1 69 69 ILE H H 104 8.847 8.847 8.830 0.017 17579 1677 1 3 . 1 1 70 70 PRO HA H 105 3.918 3.918 4.563 -0.645 17579 1678 1 3 . 1 1 70 70 PRO C C 105 177.442 177.442 176.017 1.425 17579 1679 1 3 . 1 1 70 70 PRO CA C 105 64.823 64.823 63.102 1.721 17579 1680 1 3 . 1 1 70 70 PRO CB C 105 35.906 35.906 30.337 5.569 17579 1681 1 3 . 1 1 71 71 SER N N 106 113.113 113.113 117.964 -4.851 17579 1682 1 3 . 1 1 71 71 SER HA H 106 4.261 4.261 4.746 -0.485 17579 1683 1 3 . 1 1 71 71 SER C C 106 175.111 175.111 174.493 0.618 17579 1684 1 3 . 1 1 71 71 SER CA C 106 60.111 60.111 58.101 2.010 17579 1685 1 3 . 1 1 71 71 SER CB C 106 63.687 63.687 65.888 -2.200 17579 1686 1 3 . 1 1 71 71 SER H H 106 7.904 7.904 8.094 -0.190 17579 1687 1 3 . 1 1 72 72 LYS N N 107 119.830 119.830 127.198 -7.368 17579 1688 1 3 . 1 1 72 72 LYS HA H 107 4.187 4.187 3.975 0.212 17579 1689 1 3 . 1 1 72 72 LYS CA C 107 58.783 58.783 59.501 -0.718 17579 1690 1 3 . 1 1 72 72 LYS CB C 107 30.951 30.951 32.098 -1.147 17579 1691 1 3 . 1 1 72 72 LYS H H 107 8.314 8.314 8.768 -0.454 17579 1692 1 3 . 1 1 73 73 GLN N N 108 123.860 123.860 118.650 5.210 17579 1693 1 3 . 1 1 73 73 GLN HA H 108 4.001 4.001 4.134 -0.133 17579 1694 1 3 . 1 1 73 73 GLN CA C 108 58.831 58.831 58.811 0.020 17579 1695 1 3 . 1 1 73 73 GLN CB C 108 28.451 28.451 27.826 0.625 17579 1696 1 3 . 1 1 73 73 GLN H H 108 8.510 8.510 8.751 -0.241 17579 1697 1 3 . 1 1 74 74 ASP N N 109 121.145 121.145 121.669 -0.524 17579 1698 1 3 . 1 1 74 74 ASP HA H 109 4.389 4.389 4.412 -0.023 17579 1699 1 3 . 1 1 74 74 ASP C C 109 178.552 178.552 178.619 -0.067 17579 1700 1 3 . 1 1 74 74 ASP H H 109 7.966 7.966 8.100 -0.134 17579 1701 1 3 . 1 1 75 75 LEU N N 110 121.098 121.098 120.958 0.140 17579 1702 1 3 . 1 1 75 75 LEU HA H 110 3.955 3.955 4.052 -0.097 17579 1703 1 3 . 1 1 75 75 LEU C C 110 178.953 178.953 179.140 -0.187 17579 1704 1 3 . 1 1 75 75 LEU CA C 110 56.538 56.538 57.980 -1.442 17579 1705 1 3 . 1 1 75 75 LEU CB C 110 40.845 40.845 41.331 -0.486 17579 1706 1 3 . 1 1 75 75 LEU H H 110 7.932 7.932 8.341 -0.409 17579 1707 1 3 . 1 1 76 76 GLY N N 111 105.659 105.659 106.041 -0.382 17579 1708 1 3 . 1 1 76 76 GLY C C 111 175.510 175.510 175.675 -0.165 17579 1709 1 3 . 1 1 76 76 GLY CA C 111 47.037 47.037 47.048 -0.011 17579 1710 1 3 . 1 1 76 76 GLY H H 111 8.006 8.006 8.420 -0.414 17579 1711 1 3 . 1 1 77 77 ALA N N 112 122.987 122.987 124.337 -1.350 17579 1712 1 3 . 1 1 77 77 ALA HA H 112 4.112 4.112 4.143 -0.031 17579 1713 1 3 . 1 1 77 77 ALA C C 112 179.350 179.350 179.445 -0.095 17579 1714 1 3 . 1 1 77 77 ALA CA C 112 53.930 53.930 54.623 -0.693 17579 1715 1 3 . 1 1 77 77 ALA CB C 112 18.727 18.727 18.255 0.472 17579 1716 1 3 . 1 1 77 77 ALA H H 112 7.824 7.824 7.883 -0.059 17579 1717 1 3 . 1 1 78 78 ALA N N 113 121.466 121.466 120.739 0.727 17579 1718 1 3 . 1 1 78 78 ALA HA H 113 4.189 4.189 4.059 0.130 17579 1719 1 3 . 1 1 78 78 ALA C C 113 177.368 177.368 178.867 -1.499 17579 1720 1 3 . 1 1 78 78 ALA CA C 113 53.750 53.750 54.675 -0.925 17579 1721 1 3 . 1 1 78 78 ALA CB C 113 19.231 19.231 19.055 0.176 17579 1722 1 3 . 1 1 78 78 ALA H H 113 7.785 7.785 7.918 -0.133 17579 1723 1 3 . 1 1 79 79 GLY N N 114 104.016 104.016 104.635 -0.619 17579 1724 1 3 . 1 1 79 79 GLY CA C 114 45.256 45.256 45.554 -0.298 17579 1725 1 3 . 1 1 79 79 GLY H H 114 7.742 7.742 8.111 -0.369 17579 1726 1 3 . 1 1 80 80 ALA HA H 115 4.100 4.100 4.612 -0.512 17579 1727 1 3 . 1 1 80 80 ALA C C 115 176.526 176.526 176.365 0.161 17579 1728 1 3 . 1 1 80 80 ALA CA C 115 53.482 53.482 52.042 1.440 17579 1729 1 3 . 1 1 80 80 ALA CB C 115 19.825 19.825 19.661 0.164 17579 1730 1 3 . 1 1 81 81 THR N N 116 116.236 116.236 116.827 -0.591 17579 1731 1 3 . 1 1 81 81 THR HA H 116 4.718 4.718 3.988 0.730 17579 1732 1 3 . 1 1 81 81 THR CA C 116 57.275 57.275 64.537 -7.262 17579 1733 1 3 . 1 1 81 81 THR CB C 116 64.878 64.878 68.925 -4.047 17579 1734 1 3 . 1 1 81 81 THR H H 116 8.068 8.068 8.670 -0.602 17579 1735 1 3 . 1 1 84 84 PRO HA H 119 4.072 4.072 4.514 -0.442 17579 1736 1 3 . 1 1 84 84 PRO CB C 119 32.154 32.154 32.245 -0.091 17579 1737 1 3 . 1 1 85 85 THR N N 120 119.680 119.680 112.484 7.196 17579 1738 1 3 . 1 1 85 85 THR C C 120 175.333 175.333 173.899 1.434 17579 1739 1 3 . 1 1 85 85 THR CB C 120 71.769 71.769 71.904 -0.135 17579 1740 1 3 . 1 1 85 85 THR H H 120 8.002 8.002 8.283 -0.281 17579 1741 1 3 . 1 1 86 86 SER N N 121 115.589 115.589 113.325 2.264 17579 1742 1 3 . 1 1 86 86 SER HA H 121 4.325 4.325 4.696 -0.371 17579 1743 1 3 . 1 1 86 86 SER C C 121 172.929 172.929 172.710 0.219 17579 1744 1 3 . 1 1 86 86 SER CA C 121 59.722 59.722 58.476 1.246 17579 1745 1 3 . 1 1 86 86 SER CB C 121 64.608 64.608 64.835 -0.227 17579 1746 1 3 . 1 1 86 86 SER H H 121 7.335 7.335 8.454 -1.119 17579 1747 1 3 . 1 1 87 87 VAL N N 122 116.044 116.044 120.120 -4.076 17579 1748 1 3 . 1 1 87 87 VAL HA H 122 5.200 5.200 4.685 0.515 17579 1749 1 3 . 1 1 87 87 VAL C C 122 172.465 172.465 174.078 -1.613 17579 1750 1 3 . 1 1 87 87 VAL CA C 122 59.819 59.819 61.033 -1.214 17579 1751 1 3 . 1 1 87 87 VAL CB C 122 33.368 33.368 33.150 0.218 17579 1752 1 3 . 1 1 87 87 VAL H H 122 7.152 7.152 7.710 -0.557 17579 1753 1 3 . 1 1 88 88 VAL N N 123 119.350 119.350 124.538 -5.188 17579 1754 1 3 . 1 1 88 88 VAL HA H 123 5.091 5.091 4.808 0.283 17579 1755 1 3 . 1 1 88 88 VAL C C 123 173.214 173.214 174.058 -0.844 17579 1756 1 3 . 1 1 88 88 VAL CA C 123 59.219 59.219 60.699 -1.480 17579 1757 1 3 . 1 1 88 88 VAL CB C 123 36.362 36.362 36.542 -0.180 17579 1758 1 3 . 1 1 88 88 VAL H H 123 8.851 8.851 8.691 0.160 17579 1759 1 3 . 1 1 89 89 PHE N N 124 122.568 122.568 124.885 -2.317 17579 1760 1 3 . 1 1 89 89 PHE HA H 124 5.613 5.613 5.239 0.374 17579 1761 1 3 . 1 1 89 89 PHE C C 124 174.887 174.887 175.213 -0.326 17579 1762 1 3 . 1 1 89 89 PHE CA C 124 52.961 52.961 56.150 -3.189 17579 1763 1 3 . 1 1 89 89 PHE CB C 124 42.788 42.788 42.471 0.317 17579 1764 1 3 . 1 1 89 89 PHE H H 124 9.051 9.051 9.261 -0.210 17579 1765 1 3 . 1 1 90 90 ILE N N 125 127.707 127.707 128.153 -0.446 17579 1766 1 3 . 1 1 90 90 ILE HA H 125 4.264 4.264 4.250 0.014 17579 1767 1 3 . 1 1 90 90 ILE C C 125 173.870 173.870 175.093 -1.223 17579 1768 1 3 . 1 1 90 90 ILE CA C 125 61.789 61.789 60.230 1.559 17579 1769 1 3 . 1 1 90 90 ILE CB C 125 39.785 39.785 37.175 2.611 17579 1770 1 3 . 1 1 90 90 ILE H H 125 9.477 9.477 9.475 0.002 17579 1771 1 3 . 1 1 91 91 VAL N N 126 126.579 126.579 121.970 4.609 17579 1772 1 3 . 1 1 91 91 VAL HA H 126 4.566 4.566 4.756 -0.190 17579 1773 1 3 . 1 1 91 91 VAL C C 126 173.829 173.829 173.133 0.696 17579 1774 1 3 . 1 1 91 91 VAL CA C 126 58.701 58.701 58.474 0.227 17579 1775 1 3 . 1 1 91 91 VAL CB C 126 32.989 32.989 35.132 -2.143 17579 1776 1 3 . 1 1 91 91 VAL H H 126 8.149 8.149 8.841 -0.692 17579 1777 1 3 . 1 1 92 92 PRO HA H 127 4.035 4.035 4.569 -0.534 17579 1778 1 3 . 1 1 92 92 PRO C C 127 177.766 177.766 177.459 0.307 17579 1779 1 3 . 1 1 92 92 PRO CA C 127 63.684 63.684 62.882 0.802 17579 1780 1 3 . 1 1 92 92 PRO CB C 127 32.178 32.178 33.069 -0.891 17579 1781 1 3 . 1 1 93 93 GLY N N 128 108.618 108.618 110.790 -2.172 17579 1782 1 3 . 1 1 93 93 GLY CA C 128 45.787 45.787 45.560 0.227 17579 1783 1 3 . 1 1 93 93 GLY H H 128 7.970 7.970 8.249 -0.279 17579 1784 1 3 . 1 1 94 94 SER N N 129 113.620 113.620 114.683 -1.063 17579 1785 1 3 . 1 1 94 94 SER HA H 129 4.317 4.317 4.549 -0.232 17579 1786 1 3 . 1 1 94 94 SER C C 129 180.379 180.379 173.870 6.509 17579 1787 1 3 . 1 1 94 94 SER CA C 129 58.566 58.566 57.199 1.367 17579 1788 1 3 . 1 1 94 94 SER H H 129 7.952 7.952 7.901 0.051 17579 1789 1 3 . 1 1 95 95 ASN N N 130 120.775 120.775 116.620 4.155 17579 1790 1 3 . 1 1 95 95 ASN HA H 130 3.964 3.964 4.647 -0.683 17579 1791 1 3 . 1 1 95 95 ASN C C 130 178.664 178.664 177.774 0.890 17579 1792 1 3 . 1 1 95 95 ASN CA C 130 57.689 57.689 55.101 2.588 17579 1793 1 3 . 1 1 95 95 ASN CB C 130 42.288 42.288 38.234 4.054 17579 1794 1 3 . 1 1 95 95 ASN H H 130 8.300 8.300 8.694 -0.394 17579 1795 1 3 . 1 1 96 96 LYS N N 131 119.316 119.316 120.890 -1.574 17579 1796 1 3 . 1 1 96 96 LYS HA H 131 4.095 4.095 4.170 -0.075 17579 1797 1 3 . 1 1 96 96 LYS C C 131 178.290 178.290 178.841 -0.551 17579 1798 1 3 . 1 1 96 96 LYS CA C 131 59.062 59.062 58.446 0.616 17579 1799 1 3 . 1 1 96 96 LYS CB C 131 29.745 29.745 31.978 -2.233 17579 1800 1 3 . 1 1 96 96 LYS H H 131 7.896 7.896 8.094 -0.198 17579 1801 1 3 . 1 1 97 97 LYS N N 132 117.523 117.523 119.115 -1.592 17579 1802 1 3 . 1 1 97 97 LYS C C 132 176.927 176.927 178.925 -1.998 17579 1803 1 3 . 1 1 97 97 LYS CA C 132 58.555 58.555 58.881 -0.326 17579 1804 1 3 . 1 1 97 97 LYS CB C 132 30.578 30.578 31.329 -0.751 17579 1805 1 3 . 1 1 97 97 LYS H H 132 7.791 7.791 7.908 -0.117 17579 1806 1 3 . 1 1 98 98 LYS HA H 133 4.236 4.236 4.081 0.155 17579 1807 1 3 . 1 1 98 98 LYS C C 133 176.606 176.606 177.205 -0.599 17579 1808 1 3 . 1 1 98 98 LYS CA C 133 57.225 57.225 58.929 -1.704 17579 1809 1 3 . 1 1 98 98 LYS CB C 133 33.151 33.151 32.421 0.730 17579 1810 1 3 . 1 1 99 99 ASP N N 134 120.311 120.311 116.901 3.410 17579 1811 1 3 . 1 1 99 99 ASP HA H 134 4.584 4.584 4.775 -0.191 17579 1812 1 3 . 1 1 99 99 ASP C C 134 176.899 176.899 176.210 0.689 17579 1813 1 3 . 1 1 99 99 ASP CA C 134 54.402 54.402 53.993 0.409 17579 1814 1 3 . 1 1 99 99 ASP CB C 134 41.568 41.568 41.014 0.554 17579 1815 1 3 . 1 1 99 99 ASP H H 134 8.267 8.267 7.890 0.377 17579 1816 1 3 . 1 1 100 100 GLY N N 135 108.751 108.751 110.213 -1.462 17579 1817 1 3 . 1 1 100 100 GLY C C 135 174.683 174.683 174.484 0.199 17579 1818 1 3 . 1 1 100 100 GLY CA C 135 45.985 45.985 45.220 0.765 17579 1819 1 3 . 1 1 100 100 GLY H H 135 8.235 8.235 7.681 0.554 17579 1820 1 3 . 1 1 101 101 LYS N N 136 120.306 120.306 120.658 -0.352 17579 1821 1 3 . 1 1 101 101 LYS HA H 136 4.279 4.279 4.228 0.051 17579 1822 1 3 . 1 1 101 101 LYS C C 136 175.145 175.145 177.785 -2.640 17579 1823 1 3 . 1 1 101 101 LYS CA C 136 56.875 56.875 56.001 0.874 17579 1824 1 3 . 1 1 101 101 LYS CB C 136 32.987 32.987 33.167 -0.180 17579 1825 1 3 . 1 1 101 101 LYS H H 136 8.148 8.148 7.982 0.166 17579 1826 1 3 . 1 1 102 102 ASN N N 137 118.958 118.958 119.945 -0.987 17579 1827 1 3 . 1 1 102 102 ASN HA H 137 4.707 4.707 4.527 0.180 17579 1828 1 3 . 1 1 102 102 ASN C C 137 175.849 175.849 176.864 -1.015 17579 1829 1 3 . 1 1 102 102 ASN CA C 137 53.816 53.816 55.496 -1.681 17579 1830 1 3 . 1 1 102 102 ASN CB C 137 39.070 39.070 38.572 0.499 17579 1831 1 3 . 1 1 102 102 ASN H H 137 8.406 8.406 8.648 -0.242 17579 1832 1 3 . 1 1 103 103 LYS N N 138 121.782 121.782 121.189 0.593 17579 1833 1 3 . 1 1 103 103 LYS HA H 138 4.255 4.255 3.961 0.294 17579 1834 1 3 . 1 1 103 103 LYS CA C 138 56.641 56.641 59.659 -3.018 17579 1835 1 3 . 1 1 103 103 LYS CB C 138 32.911 32.911 32.126 0.785 17579 1836 1 3 . 1 1 103 103 LYS H H 138 8.316 8.316 8.401 -0.085 17579 1837 1 3 . 1 1 104 104 GLU N N 139 121.053 121.053 117.780 3.273 17579 1838 1 3 . 1 1 104 104 GLU CA C 139 57.449 57.449 59.797 -2.348 17579 1839 1 3 . 1 1 104 104 GLU CB C 139 29.983 29.983 28.989 0.994 17579 1840 1 3 . 1 1 104 104 GLU H H 139 8.459 8.459 8.427 0.032 17579 1841 1 3 . 1 1 106 106 GLU N N 141 122.191 122.191 119.686 2.505 17579 1842 1 3 . 1 1 106 106 GLU HA H 141 4.268 4.268 4.232 0.036 17579 1843 1 3 . 1 1 106 106 GLU CA C 141 64.025 64.025 59.214 4.811 17579 1844 1 3 . 1 1 106 106 GLU CB C 141 32.117 32.117 29.782 2.335 17579 1845 1 3 . 1 1 106 106 GLU H H 141 8.291 8.291 8.168 0.123 17579 1846 1 3 . 1 1 107 107 TYR N N 142 115.802 115.802 120.979 -5.177 17579 1847 1 3 . 1 1 107 107 TYR HA H 142 4.996 4.996 4.031 0.965 17579 1848 1 3 . 1 1 107 107 TYR C C 142 175.381 175.381 177.430 -2.049 17579 1849 1 3 . 1 1 107 107 TYR CA C 142 57.581 57.581 61.712 -4.131 17579 1850 1 3 . 1 1 107 107 TYR CB C 142 39.533 39.533 38.283 1.250 17579 1851 1 3 . 1 1 107 107 TYR H H 142 7.344 7.344 8.966 -1.622 17579 1852 1 3 . 1 1 108 108 LYS N N 143 123.473 123.473 118.700 4.773 17579 1853 1 3 . 1 1 108 108 LYS HA H 143 3.628 3.628 3.488 0.140 17579 1854 1 3 . 1 1 108 108 LYS C C 143 177.659 177.659 178.810 -1.151 17579 1855 1 3 . 1 1 108 108 LYS CA C 143 59.988 59.988 59.239 0.749 17579 1856 1 3 . 1 1 108 108 LYS CB C 143 32.294 32.294 31.938 0.356 17579 1857 1 3 . 1 1 108 108 LYS H H 143 7.376 7.376 8.039 -0.663 17579 1858 1 3 . 1 1 109 109 GLU N N 144 118.799 118.799 118.699 0.100 17579 1859 1 3 . 1 1 109 109 GLU HA H 144 4.048 4.048 3.904 0.144 17579 1860 1 3 . 1 1 109 109 GLU C C 144 179.583 179.583 178.977 0.606 17579 1861 1 3 . 1 1 109 109 GLU CA C 144 60.200 60.200 59.888 0.312 17579 1862 1 3 . 1 1 109 109 GLU CB C 144 29.237 29.237 29.624 -0.387 17579 1863 1 3 . 1 1 109 109 GLU H H 144 8.558 8.558 8.170 0.388 17579 1864 1 3 . 1 1 110 110 SER N N 145 116.121 116.121 115.127 0.994 17579 1865 1 3 . 1 1 110 110 SER HA H 145 4.319 4.319 4.202 0.117 17579 1866 1 3 . 1 1 110 110 SER C C 145 176.522 176.522 176.454 0.068 17579 1867 1 3 . 1 1 110 110 SER CA C 145 61.990 61.990 61.661 0.329 17579 1868 1 3 . 1 1 110 110 SER CB C 145 63.293 63.293 63.026 0.267 17579 1869 1 3 . 1 1 110 110 SER H H 145 8.094 8.094 8.043 0.051 17579 1870 1 3 . 1 1 111 111 PHE N N 146 122.311 122.311 124.152 -1.841 17579 1871 1 3 . 1 1 111 111 PHE HA H 146 4.021 4.021 4.016 0.005 17579 1872 1 3 . 1 1 111 111 PHE C C 146 176.001 176.001 176.320 -0.319 17579 1873 1 3 . 1 1 111 111 PHE CA C 146 62.504 62.504 61.484 1.020 17579 1874 1 3 . 1 1 111 111 PHE CB C 146 39.861 39.861 38.916 0.945 17579 1875 1 3 . 1 1 111 111 PHE H H 146 8.536 8.536 8.248 0.288 17579 1876 1 3 . 1 1 112 112 ASN N N 147 117.908 117.908 117.218 0.690 17579 1877 1 3 . 1 1 112 112 ASN HA H 147 4.252 4.252 4.195 0.057 17579 1878 1 3 . 1 1 112 112 ASN C C 147 178.315 178.315 177.482 0.833 17579 1879 1 3 . 1 1 112 112 ASN CA C 147 56.226 56.226 56.448 -0.222 17579 1880 1 3 . 1 1 112 112 ASN CB C 147 37.990 37.990 38.436 -0.446 17579 1881 1 3 . 1 1 112 112 ASN H H 147 8.795 8.795 8.807 -0.012 17579 1882 1 3 . 1 1 113 113 GLU N N 148 119.868 119.868 120.036 -0.168 17579 1883 1 3 . 1 1 113 113 GLU HA H 148 4.024 4.024 3.979 0.045 17579 1884 1 3 . 1 1 113 113 GLU C C 148 179.410 179.410 178.664 0.746 17579 1885 1 3 . 1 1 113 113 GLU CA C 148 59.710 59.710 59.472 0.238 17579 1886 1 3 . 1 1 113 113 GLU CB C 148 30.063 30.063 29.579 0.484 17579 1887 1 3 . 1 1 113 113 GLU H H 148 7.764 7.764 7.866 -0.102 17579 1888 1 3 . 1 1 114 114 VAL N N 149 119.684 119.684 116.577 3.107 17579 1889 1 3 . 1 1 114 114 VAL HA H 149 3.544 3.544 3.737 -0.193 17579 1890 1 3 . 1 1 114 114 VAL C C 149 177.613 177.613 178.116 -0.503 17579 1891 1 3 . 1 1 114 114 VAL CA C 149 66.977 66.977 66.201 0.775 17579 1892 1 3 . 1 1 114 114 VAL CB C 149 30.605 30.605 31.371 -0.766 17579 1893 1 3 . 1 1 114 114 VAL H H 149 7.973 7.973 7.916 0.057 17579 1894 1 3 . 1 1 115 115 VAL N N 150 119.782 119.782 121.323 -1.541 17579 1895 1 3 . 1 1 115 115 VAL HA H 150 3.164 3.164 3.420 -0.256 17579 1896 1 3 . 1 1 115 115 VAL C C 150 177.499 177.499 178.190 -0.691 17579 1897 1 3 . 1 1 115 115 VAL CA C 150 68.301 68.301 66.606 1.696 17579 1898 1 3 . 1 1 115 115 VAL CB C 150 31.483 31.483 31.134 0.349 17579 1899 1 3 . 1 1 115 115 VAL H H 150 8.452 8.452 8.346 0.106 17579 1900 1 3 . 1 1 116 116 LYS N N 151 118.842 118.842 119.445 -0.603 17579 1901 1 3 . 1 1 116 116 LYS HA H 151 4.024 4.024 4.001 0.023 17579 1902 1 3 . 1 1 116 116 LYS C C 151 179.862 179.862 178.855 1.007 17579 1903 1 3 . 1 1 116 116 LYS CA C 151 59.947 59.947 58.989 0.958 17579 1904 1 3 . 1 1 116 116 LYS CB C 151 32.481 32.481 31.973 0.508 17579 1905 1 3 . 1 1 116 116 LYS H H 151 7.595 7.595 8.113 -0.518 17579 1906 1 3 . 1 1 117 117 GLU N N 152 120.243 120.243 120.217 0.026 17579 1907 1 3 . 1 1 117 117 GLU HA H 152 4.052 4.052 4.100 -0.048 17579 1908 1 3 . 1 1 117 117 GLU C C 152 179.528 179.528 178.980 0.548 17579 1909 1 3 . 1 1 117 117 GLU CA C 152 60.178 60.178 59.328 0.851 17579 1910 1 3 . 1 1 117 117 GLU CB C 152 29.949 29.949 29.740 0.209 17579 1911 1 3 . 1 1 117 117 GLU H H 152 7.513 7.513 7.947 -0.434 17579 1912 1 3 . 1 1 118 118 VAL N N 153 120.596 120.596 119.235 1.361 17579 1913 1 3 . 1 1 118 118 VAL HA H 153 3.464 3.464 3.811 -0.347 17579 1914 1 3 . 1 1 118 118 VAL C C 153 177.984 177.984 177.309 0.675 17579 1915 1 3 . 1 1 118 118 VAL CA C 153 68.047 68.047 65.050 2.997 17579 1916 1 3 . 1 1 118 118 VAL CB C 153 32.056 32.056 31.678 0.378 17579 1917 1 3 . 1 1 118 118 VAL H H 153 8.649 8.649 7.911 0.738 17579 1918 1 3 . 1 1 119 119 GLN N N 154 118.317 118.317 118.601 -0.284 17579 1919 1 3 . 1 1 119 119 GLN HA H 154 3.986 3.986 4.175 -0.189 17579 1920 1 3 . 1 1 119 119 GLN C C 154 178.984 178.984 176.706 2.278 17579 1921 1 3 . 1 1 119 119 GLN CA C 154 59.716 59.716 57.986 1.730 17579 1922 1 3 . 1 1 119 119 GLN CB C 154 28.261 28.261 29.286 -1.025 17579 1923 1 3 . 1 1 119 119 GLN H H 154 8.947 8.947 7.786 1.161 17579 1924 1 3 . 1 1 120 120 ALA N N 155 120.688 120.688 122.668 -1.980 17579 1925 1 3 . 1 1 120 120 ALA HA H 155 3.484 3.484 4.209 -0.725 17579 1926 1 3 . 1 1 120 120 ALA C C 155 180.759 180.759 177.586 3.173 17579 1927 1 3 . 1 1 120 120 ALA CA C 155 55.257 55.257 53.420 1.837 17579 1928 1 3 . 1 1 120 120 ALA CB C 155 18.446 18.446 19.526 -1.080 17579 1929 1 3 . 1 1 120 120 ALA H H 155 7.494 7.494 7.914 -0.420 17579 1930 1 4 . 1 1 2 2 LYS N N 37 124.936 124.936 123.910 1.026 17579 1931 1 4 . 1 1 2 2 LYS HA H 37 4.053 4.053 4.003 0.050 17579 1932 1 4 . 1 1 2 2 LYS C C 37 172.929 172.929 177.763 -4.834 17579 1933 1 4 . 1 1 2 2 LYS CA C 37 60.975 60.975 58.982 1.993 17579 1934 1 4 . 1 1 2 2 LYS CB C 37 32.607 32.607 32.342 0.265 17579 1935 1 4 . 1 1 2 2 LYS H H 37 7.564 7.564 8.582 -1.018 17579 1936 1 4 . 1 1 3 3 LYS N N 38 118.300 118.300 117.547 0.753 17579 1937 1 4 . 1 1 3 3 LYS HA H 38 4.045 4.045 4.064 -0.019 17579 1938 1 4 . 1 1 3 3 LYS C C 38 179.361 179.361 178.157 1.204 17579 1939 1 4 . 1 1 3 3 LYS CA C 38 59.930 59.930 58.660 1.270 17579 1940 1 4 . 1 1 3 3 LYS CB C 38 32.885 32.885 31.656 1.229 17579 1941 1 4 . 1 1 3 3 LYS H H 38 8.234 8.234 8.215 0.019 17579 1942 1 4 . 1 1 4 4 LEU N N 39 122.081 122.081 121.400 0.681 17579 1943 1 4 . 1 1 4 4 LEU HA H 39 4.135 4.135 3.863 0.272 17579 1944 1 4 . 1 1 4 4 LEU C C 39 178.433 178.433 178.263 0.170 17579 1945 1 4 . 1 1 4 4 LEU CA C 39 57.726 57.726 58.674 -0.948 17579 1946 1 4 . 1 1 4 4 LEU CB C 39 40.588 40.588 41.720 -1.132 17579 1947 1 4 . 1 1 4 4 LEU H H 39 7.856 7.856 7.887 -0.031 17579 1948 1 4 . 1 1 5 5 ASN N N 40 118.758 118.758 115.055 3.703 17579 1949 1 4 . 1 1 5 5 ASN HA H 40 3.994 3.994 4.328 -0.334 17579 1950 1 4 . 1 1 5 5 ASN C C 40 176.246 176.246 177.406 -1.160 17579 1951 1 4 . 1 1 5 5 ASN CA C 40 57.843 57.843 56.314 1.529 17579 1952 1 4 . 1 1 5 5 ASN CB C 40 40.430 40.430 38.222 2.208 17579 1953 1 4 . 1 1 5 5 ASN H H 40 9.241 9.241 8.133 1.108 17579 1954 1 4 . 1 1 6 6 LYS N N 41 115.665 115.665 120.862 -5.197 17579 1955 1 4 . 1 1 6 6 LYS HA H 41 3.929 3.929 3.999 -0.070 17579 1956 1 4 . 1 1 6 6 LYS C C 41 179.318 179.318 178.828 0.490 17579 1957 1 4 . 1 1 6 6 LYS CA C 41 60.130 60.130 59.427 0.703 17579 1958 1 4 . 1 1 6 6 LYS CB C 41 32.580 32.580 32.349 0.231 17579 1959 1 4 . 1 1 6 6 LYS H H 41 7.239 7.239 7.435 -0.196 17579 1960 1 4 . 1 1 7 7 LYS N N 42 119.038 119.038 118.937 0.101 17579 1961 1 4 . 1 1 7 7 LYS HA H 42 4.037 4.037 4.015 0.022 17579 1962 1 4 . 1 1 7 7 LYS C C 42 180.428 180.428 179.099 1.329 17579 1963 1 4 . 1 1 7 7 LYS CA C 42 60.178 60.178 59.751 0.428 17579 1964 1 4 . 1 1 7 7 LYS CB C 42 33.670 33.670 32.428 1.242 17579 1965 1 4 . 1 1 7 7 LYS H H 42 7.358 7.358 7.893 -0.535 17579 1966 1 4 . 1 1 8 8 VAL N N 43 122.489 122.489 119.319 3.170 17579 1967 1 4 . 1 1 8 8 VAL HA H 43 3.263 3.263 3.736 -0.473 17579 1968 1 4 . 1 1 8 8 VAL C C 43 177.823 177.823 177.967 -0.144 17579 1969 1 4 . 1 1 8 8 VAL CA C 43 67.836 67.836 67.134 0.702 17579 1970 1 4 . 1 1 8 8 VAL CB C 43 31.523 31.523 31.620 -0.097 17579 1971 1 4 . 1 1 8 8 VAL H H 43 9.167 9.167 8.167 1.000 17579 1972 1 4 . 1 1 9 9 LEU N N 44 119.740 119.740 118.066 1.674 17579 1973 1 4 . 1 1 9 9 LEU HA H 44 3.964 3.964 4.132 -0.168 17579 1974 1 4 . 1 1 9 9 LEU C C 44 179.700 179.700 179.062 0.638 17579 1975 1 4 . 1 1 9 9 LEU CA C 44 58.742 58.742 58.158 0.584 17579 1976 1 4 . 1 1 9 9 LEU CB C 44 41.239 41.239 41.143 0.096 17579 1977 1 4 . 1 1 9 9 LEU H H 44 8.437 8.437 8.404 0.033 17579 1978 1 4 . 1 1 10 10 LYS N N 45 119.832 119.832 119.291 0.541 17579 1979 1 4 . 1 1 10 10 LYS HA H 45 4.013 4.013 4.124 -0.111 17579 1980 1 4 . 1 1 10 10 LYS C C 45 178.847 178.847 179.229 -0.382 17579 1981 1 4 . 1 1 10 10 LYS CA C 45 60.146 60.146 59.168 0.978 17579 1982 1 4 . 1 1 10 10 LYS CB C 45 32.583 32.583 31.641 0.942 17579 1983 1 4 . 1 1 10 10 LYS H H 45 7.857 7.857 8.344 -0.487 17579 1984 1 4 . 1 1 11 11 THR N N 46 116.695 116.695 117.371 -0.676 17579 1985 1 4 . 1 1 11 11 THR HA H 46 4.327 4.327 4.209 0.118 17579 1986 1 4 . 1 1 11 11 THR C C 46 176.211 176.211 176.492 -0.281 17579 1987 1 4 . 1 1 11 11 THR CA C 46 68.237 68.237 67.342 0.895 17579 1988 1 4 . 1 1 11 11 THR CB C 46 68.312 68.312 68.728 -0.416 17579 1989 1 4 . 1 1 11 11 THR H H 46 7.796 7.796 8.077 -0.281 17579 1990 1 4 . 1 1 12 12 VAL N N 47 122.013 122.013 121.965 0.048 17579 1991 1 4 . 1 1 12 12 VAL HA H 47 3.235 3.235 3.788 -0.553 17579 1992 1 4 . 1 1 12 12 VAL C C 47 177.909 177.909 177.023 0.886 17579 1993 1 4 . 1 1 12 12 VAL CA C 47 67.838 67.838 66.388 1.450 17579 1994 1 4 . 1 1 12 12 VAL CB C 47 31.706 31.706 31.768 -0.062 17579 1995 1 4 . 1 1 12 12 VAL H H 47 8.762 8.762 8.348 0.414 17579 1996 1 4 . 1 1 13 13 LYS N N 48 118.035 118.035 120.245 -2.210 17579 1997 1 4 . 1 1 13 13 LYS HA H 48 3.828 3.828 3.942 -0.114 17579 1998 1 4 . 1 1 13 13 LYS CA C 48 59.960 59.960 59.872 0.088 17579 1999 1 4 . 1 1 13 13 LYS CB C 48 32.837 32.837 32.275 0.562 17579 2000 1 4 . 1 1 13 13 LYS H H 48 7.492 7.492 8.080 -0.588 17579 2001 1 4 . 1 1 14 14 LYS N N 49 120.565 120.565 118.214 2.351 17579 2002 1 4 . 1 1 14 14 LYS HA H 49 3.952 3.952 3.990 -0.038 17579 2003 1 4 . 1 1 14 14 LYS C C 49 179.608 179.608 179.552 0.056 17579 2004 1 4 . 1 1 14 14 LYS CA C 49 59.950 59.950 58.743 1.207 17579 2005 1 4 . 1 1 14 14 LYS CB C 49 33.723 33.723 31.869 1.855 17579 2006 1 4 . 1 1 14 14 LYS H H 49 7.498 7.498 7.953 -0.455 17579 2007 1 4 . 1 1 15 15 ALA N N 50 122.192 122.192 121.750 0.442 17579 2008 1 4 . 1 1 15 15 ALA HA H 50 3.467 3.467 3.756 -0.289 17579 2009 1 4 . 1 1 15 15 ALA C C 50 179.970 179.970 179.538 0.432 17579 2010 1 4 . 1 1 15 15 ALA CA C 50 54.950 54.950 54.644 0.306 17579 2011 1 4 . 1 1 15 15 ALA CB C 50 19.270 19.270 17.541 1.730 17579 2012 1 4 . 1 1 15 15 ALA H H 50 8.529 8.529 7.994 0.535 17579 2013 1 4 . 1 1 16 16 SER N N 51 116.624 116.624 112.125 4.499 17579 2014 1 4 . 1 1 16 16 SER HA H 51 4.696 4.696 4.113 0.583 17579 2015 1 4 . 1 1 16 16 SER C C 51 178.705 178.705 176.367 2.338 17579 2016 1 4 . 1 1 16 16 SER CA C 51 62.206 62.206 60.842 1.364 17579 2017 1 4 . 1 1 16 16 SER CB C 51 62.918 62.918 62.852 0.066 17579 2018 1 4 . 1 1 16 16 SER H H 51 8.542 8.542 8.069 0.473 17579 2019 1 4 . 1 1 17 17 LYS N N 52 124.866 124.866 119.598 5.268 17579 2020 1 4 . 1 1 17 17 LYS HA H 52 4.051 4.051 4.184 -0.133 17579 2021 1 4 . 1 1 17 17 LYS C C 52 177.563 177.563 176.958 0.605 17579 2022 1 4 . 1 1 17 17 LYS CA C 52 59.290 59.290 57.853 1.437 17579 2023 1 4 . 1 1 17 17 LYS CB C 52 32.104 32.104 32.756 -0.652 17579 2024 1 4 . 1 1 17 17 LYS H H 52 7.553 7.553 7.398 0.155 17579 2025 1 4 . 1 1 18 18 ALA N N 53 118.801 118.801 119.428 -0.627 17579 2026 1 4 . 1 1 18 18 ALA HA H 53 4.280 4.280 4.402 -0.122 17579 2027 1 4 . 1 1 18 18 ALA C C 53 175.253 175.253 176.474 -1.221 17579 2028 1 4 . 1 1 18 18 ALA CA C 53 52.222 52.222 51.182 1.040 17579 2029 1 4 . 1 1 18 18 ALA CB C 53 19.566 19.566 19.248 0.318 17579 2030 1 4 . 1 1 18 18 ALA H H 53 7.092 7.092 7.465 -0.373 17579 2031 1 4 . 1 1 19 19 LYS N N 54 112.119 112.119 116.510 -4.391 17579 2032 1 4 . 1 1 19 19 LYS HA H 54 4.027 4.027 3.966 0.061 17579 2033 1 4 . 1 1 19 19 LYS C C 54 177.191 177.191 175.276 1.915 17579 2034 1 4 . 1 1 19 19 LYS CA C 54 57.435 57.435 57.256 0.179 17579 2035 1 4 . 1 1 19 19 LYS CB C 54 28.420 28.420 30.305 -1.885 17579 2036 1 4 . 1 1 19 19 LYS H H 54 7.644 7.644 7.688 -0.044 17579 2037 1 4 . 1 1 20 20 ASN N N 55 116.236 116.236 115.045 1.191 17579 2038 1 4 . 1 1 20 20 ASN HA H 55 5.090 5.090 4.835 0.255 17579 2039 1 4 . 1 1 20 20 ASN C C 55 173.176 173.176 174.223 -1.047 17579 2040 1 4 . 1 1 20 20 ASN CA C 55 51.617 51.617 53.286 -1.669 17579 2041 1 4 . 1 1 20 20 ASN CB C 55 40.642 40.642 40.034 0.608 17579 2042 1 4 . 1 1 20 20 ASN H H 55 8.099 8.099 8.004 0.095 17579 2043 1 4 . 1 1 21 21 VAL N N 56 115.268 115.268 114.486 0.782 17579 2044 1 4 . 1 1 21 21 VAL HA H 56 4.864 4.864 4.542 0.322 17579 2045 1 4 . 1 1 21 21 VAL C C 56 175.526 175.526 174.750 0.776 17579 2046 1 4 . 1 1 21 21 VAL CA C 56 61.314 61.314 60.011 1.303 17579 2047 1 4 . 1 1 21 21 VAL CB C 56 35.532 35.532 33.456 2.076 17579 2048 1 4 . 1 1 21 21 VAL H H 56 7.621 7.621 7.504 0.117 17579 2049 1 4 . 1 1 22 22 LYS N N 57 126.903 126.903 126.961 -0.058 17579 2050 1 4 . 1 1 22 22 LYS HA H 57 4.682 4.682 4.736 -0.054 17579 2051 1 4 . 1 1 22 22 LYS C C 57 175.564 175.564 175.549 0.015 17579 2052 1 4 . 1 1 22 22 LYS CA C 57 54.694 54.694 55.019 -0.325 17579 2053 1 4 . 1 1 22 22 LYS CB C 57 33.975 33.975 34.238 -0.263 17579 2054 1 4 . 1 1 22 22 LYS H H 57 9.006 9.006 8.573 0.433 17579 2055 1 4 . 1 1 23 23 ARG N N 58 122.053 122.053 123.075 -1.022 17579 2056 1 4 . 1 1 23 23 ARG HA H 58 4.850 4.850 4.501 0.349 17579 2057 1 4 . 1 1 23 23 ARG C C 58 176.136 176.136 176.458 -0.322 17579 2058 1 4 . 1 1 23 23 ARG CA C 58 56.100 56.100 55.086 1.014 17579 2059 1 4 . 1 1 23 23 ARG CB C 58 33.752 33.752 31.512 2.240 17579 2060 1 4 . 1 1 23 23 ARG H H 58 8.994 8.994 8.897 0.097 17579 2061 1 4 . 1 1 24 24 GLY N N 59 110.836 110.836 108.092 2.744 17579 2062 1 4 . 1 1 24 24 GLY C C 59 173.053 173.053 174.398 -1.345 17579 2063 1 4 . 1 1 24 24 GLY CA C 59 45.028 45.028 44.398 0.630 17579 2064 1 4 . 1 1 24 24 GLY H H 59 8.205 8.205 8.147 0.058 17579 2065 1 4 . 1 1 25 25 VAL N N 60 119.573 119.573 122.897 -3.324 17579 2066 1 4 . 1 1 25 25 VAL HA H 60 4.117 4.117 3.770 0.347 17579 2067 1 4 . 1 1 25 25 VAL C C 60 176.366 176.366 177.332 -0.966 17579 2068 1 4 . 1 1 25 25 VAL CA C 60 67.542 67.542 65.399 2.143 17579 2069 1 4 . 1 1 25 25 VAL CB C 60 32.147 32.147 31.901 0.245 17579 2070 1 4 . 1 1 25 25 VAL H H 60 8.219 8.219 8.554 -0.335 17579 2071 1 4 . 1 1 26 26 LYS N N 61 117.987 117.987 119.280 -1.293 17579 2072 1 4 . 1 1 26 26 LYS HA H 61 3.896 3.896 3.956 -0.060 17579 2073 1 4 . 1 1 26 26 LYS C C 61 180.230 180.230 178.389 1.841 17579 2074 1 4 . 1 1 26 26 LYS CA C 61 60.492 60.492 60.057 0.435 17579 2075 1 4 . 1 1 26 26 LYS CB C 61 32.356 32.356 32.002 0.354 17579 2076 1 4 . 1 1 26 26 LYS H H 61 8.112 8.112 8.410 -0.298 17579 2077 1 4 . 1 1 27 27 GLU N N 62 117.610 117.610 119.027 -1.417 17579 2078 1 4 . 1 1 27 27 GLU HA H 62 3.937 3.937 4.051 -0.114 17579 2079 1 4 . 1 1 27 27 GLU C C 62 180.103 180.103 179.310 0.793 17579 2080 1 4 . 1 1 27 27 GLU CA C 62 59.119 59.119 59.380 -0.262 17579 2081 1 4 . 1 1 27 27 GLU CB C 62 30.052 30.052 29.066 0.986 17579 2082 1 4 . 1 1 27 27 GLU H H 62 8.493 8.493 8.342 0.151 17579 2083 1 4 . 1 1 28 28 VAL N N 63 120.585 120.585 120.980 -0.395 17579 2084 1 4 . 1 1 28 28 VAL HA H 63 3.478 3.478 3.814 -0.336 17579 2085 1 4 . 1 1 28 28 VAL C C 63 176.970 176.970 177.970 -1.000 17579 2086 1 4 . 1 1 28 28 VAL CA C 63 68.197 68.197 67.415 0.782 17579 2087 1 4 . 1 1 28 28 VAL CB C 63 31.632 31.632 32.114 -0.482 17579 2088 1 4 . 1 1 28 28 VAL H H 63 8.241 8.241 8.006 0.235 17579 2089 1 4 . 1 1 29 29 VAL N N 64 118.622 118.622 119.473 -0.851 17579 2090 1 4 . 1 1 29 29 VAL HA H 64 3.333 3.333 3.608 -0.275 17579 2091 1 4 . 1 1 29 29 VAL C C 64 177.709 177.709 178.258 -0.549 17579 2092 1 4 . 1 1 29 29 VAL CA C 64 67.751 67.751 66.965 0.786 17579 2093 1 4 . 1 1 29 29 VAL CB C 64 31.553 31.553 31.183 0.370 17579 2094 1 4 . 1 1 29 29 VAL H H 64 8.510 8.510 8.058 0.452 17579 2095 1 4 . 1 1 30 30 LYS N N 65 118.138 118.138 119.235 -1.097 17579 2096 1 4 . 1 1 30 30 LYS HA H 65 3.855 3.855 4.016 -0.161 17579 2097 1 4 . 1 1 30 30 LYS C C 65 178.693 178.693 178.780 -0.087 17579 2098 1 4 . 1 1 30 30 LYS CA C 65 59.986 59.986 58.890 1.096 17579 2099 1 4 . 1 1 30 30 LYS CB C 65 32.800 32.800 31.769 1.031 17579 2100 1 4 . 1 1 30 30 LYS H H 65 7.533 7.533 8.132 -0.599 17579 2101 1 4 . 1 1 31 31 ALA N N 66 120.585 120.585 121.249 -0.664 17579 2102 1 4 . 1 1 31 31 ALA HA H 66 4.049 4.049 4.106 -0.057 17579 2103 1 4 . 1 1 31 31 ALA C C 66 179.745 179.745 178.519 1.226 17579 2104 1 4 . 1 1 31 31 ALA CA C 66 55.288 55.288 54.523 0.765 17579 2105 1 4 . 1 1 31 31 ALA CB C 66 19.207 19.207 18.238 0.969 17579 2106 1 4 . 1 1 31 31 ALA H H 66 7.489 7.489 7.942 -0.453 17579 2107 1 4 . 1 1 32 32 LEU N N 67 119.402 119.402 115.288 4.114 17579 2108 1 4 . 1 1 32 32 LEU HA H 67 3.976 3.976 4.294 -0.318 17579 2109 1 4 . 1 1 32 32 LEU C C 67 180.917 180.917 178.380 2.537 17579 2110 1 4 . 1 1 32 32 LEU CA C 67 58.115 58.115 56.830 1.285 17579 2111 1 4 . 1 1 32 32 LEU CB C 67 42.554 42.554 41.923 0.631 17579 2112 1 4 . 1 1 32 32 LEU H H 67 8.332 8.332 7.557 0.775 17579 2113 1 4 . 1 1 33 33 ARG N N 68 116.408 116.408 119.218 -2.810 17579 2114 1 4 . 1 1 33 33 ARG HA H 68 3.787 3.787 4.166 -0.379 17579 2115 1 4 . 1 1 33 33 ARG C C 68 178.472 178.472 178.006 0.466 17579 2116 1 4 . 1 1 33 33 ARG CA C 68 59.581 59.581 58.405 1.176 17579 2117 1 4 . 1 1 33 33 ARG CB C 68 29.946 29.946 30.632 -0.686 17579 2118 1 4 . 1 1 33 33 ARG H H 68 8.147 8.147 8.081 0.066 17579 2119 1 4 . 1 1 34 34 LYS N N 69 117.866 117.866 117.909 -0.043 17579 2120 1 4 . 1 1 34 34 LYS HA H 69 4.232 4.232 4.257 -0.025 17579 2121 1 4 . 1 1 34 34 LYS C C 69 177.005 177.005 176.895 0.110 17579 2122 1 4 . 1 1 34 34 LYS CA C 69 56.788 56.788 56.488 0.300 17579 2123 1 4 . 1 1 34 34 LYS CB C 69 33.008 33.008 32.330 0.678 17579 2124 1 4 . 1 1 34 34 LYS H H 69 7.606 7.606 8.193 -0.587 17579 2125 1 4 . 1 1 35 35 GLY N N 70 106.799 106.799 104.464 2.335 17579 2126 1 4 . 1 1 35 35 GLY C C 70 175.547 175.547 174.686 0.861 17579 2127 1 4 . 1 1 35 35 GLY CA C 70 45.969 45.969 45.343 0.626 17579 2128 1 4 . 1 1 35 35 GLY H H 70 7.678 7.678 7.841 -0.163 17579 2129 1 4 . 1 1 36 36 GLU N N 71 119.492 119.492 122.387 -2.895 17579 2130 1 4 . 1 1 36 36 GLU HA H 71 4.199 4.199 4.363 -0.164 17579 2131 1 4 . 1 1 36 36 GLU C C 71 175.625 175.625 175.584 0.041 17579 2132 1 4 . 1 1 36 36 GLU CA C 71 57.696 57.696 54.779 2.917 17579 2133 1 4 . 1 1 36 36 GLU CB C 71 29.620 29.620 27.412 2.208 17579 2134 1 4 . 1 1 36 36 GLU H H 71 7.686 7.686 8.484 -0.798 17579 2135 1 4 . 1 1 37 37 LYS N N 72 118.433 118.433 120.937 -2.504 17579 2136 1 4 . 1 1 37 37 LYS HA H 72 4.863 4.863 4.505 0.358 17579 2137 1 4 . 1 1 37 37 LYS C C 72 175.983 175.983 176.407 -0.424 17579 2138 1 4 . 1 1 37 37 LYS CA C 72 54.299 54.299 54.258 0.041 17579 2139 1 4 . 1 1 37 37 LYS CB C 72 35.140 35.140 34.005 1.135 17579 2140 1 4 . 1 1 37 37 LYS H H 72 8.202 8.202 7.804 0.398 17579 2141 1 4 . 1 1 38 38 GLY N N 73 104.719 104.719 107.631 -2.912 17579 2142 1 4 . 1 1 38 38 GLY C C 73 172.071 172.071 173.305 -1.234 17579 2143 1 4 . 1 1 38 38 GLY CA C 73 46.798 46.798 46.133 0.665 17579 2144 1 4 . 1 1 38 38 GLY H H 73 7.214 7.214 8.929 -1.715 17579 2145 1 4 . 1 1 39 39 LEU N N 74 125.471 125.471 123.384 2.087 17579 2146 1 4 . 1 1 39 39 LEU HA H 74 4.992 4.992 4.866 0.126 17579 2147 1 4 . 1 1 39 39 LEU C C 74 174.651 174.651 174.775 -0.124 17579 2148 1 4 . 1 1 39 39 LEU CA C 74 54.686 54.686 54.593 0.093 17579 2149 1 4 . 1 1 39 39 LEU CB C 74 47.360 47.360 45.676 1.684 17579 2150 1 4 . 1 1 39 39 LEU H H 74 8.930 8.930 8.282 0.648 17579 2151 1 4 . 1 1 40 40 VAL N N 75 130.975 130.975 127.899 3.076 17579 2152 1 4 . 1 1 40 40 VAL HA H 75 4.649 4.649 3.941 0.708 17579 2153 1 4 . 1 1 40 40 VAL C C 75 173.868 173.868 175.401 -1.533 17579 2154 1 4 . 1 1 40 40 VAL CA C 75 62.513 62.513 61.760 0.753 17579 2155 1 4 . 1 1 40 40 VAL CB C 75 32.856 32.856 30.520 2.336 17579 2156 1 4 . 1 1 40 40 VAL H H 75 8.549 8.549 8.938 -0.389 17579 2157 1 4 . 1 1 41 41 VAL N N 76 127.452 127.452 129.261 -1.809 17579 2158 1 4 . 1 1 41 41 VAL HA H 76 4.645 4.645 4.322 0.323 17579 2159 1 4 . 1 1 41 41 VAL C C 76 173.931 173.931 175.531 -1.600 17579 2160 1 4 . 1 1 41 41 VAL CA C 76 61.015 61.015 62.593 -1.578 17579 2161 1 4 . 1 1 41 41 VAL CB C 76 33.844 33.844 31.513 2.331 17579 2162 1 4 . 1 1 41 41 VAL H H 76 8.754 8.754 8.372 0.382 17579 2163 1 4 . 1 1 42 42 ILE N N 77 126.301 126.301 127.165 -0.864 17579 2164 1 4 . 1 1 42 42 ILE HA H 77 4.455 4.455 5.103 -0.648 17579 2165 1 4 . 1 1 42 42 ILE C C 77 174.965 174.965 175.129 -0.164 17579 2166 1 4 . 1 1 42 42 ILE CA C 77 59.842 59.842 57.467 2.375 17579 2167 1 4 . 1 1 42 42 ILE CB C 77 40.257 40.257 41.097 -0.840 17579 2168 1 4 . 1 1 42 42 ILE H H 77 8.530 8.530 8.732 -0.202 17579 2169 1 4 . 1 1 43 43 ALA N N 78 128.716 128.716 126.173 2.543 17579 2170 1 4 . 1 1 43 43 ALA HA H 78 4.469 4.469 5.034 -0.565 17579 2171 1 4 . 1 1 43 43 ALA C C 78 177.979 177.979 178.500 -0.521 17579 2172 1 4 . 1 1 43 43 ALA CA C 78 52.398 52.398 50.860 1.538 17579 2173 1 4 . 1 1 43 43 ALA CB C 78 19.600 19.600 19.363 0.237 17579 2174 1 4 . 1 1 43 43 ALA H H 78 8.538 8.538 8.381 0.157 17579 2175 1 4 . 1 1 44 44 GLY N N 79 104.343 104.343 111.107 -6.764 17579 2176 1 4 . 1 1 44 44 GLY C C 79 173.472 173.472 174.297 -0.825 17579 2177 1 4 . 1 1 44 44 GLY CA C 79 46.239 46.239 46.965 -0.726 17579 2178 1 4 . 1 1 44 44 GLY H H 79 9.090 9.090 8.924 0.166 17579 2179 1 4 . 1 1 45 45 ASP N N 80 118.154 118.154 118.172 -0.018 17579 2180 1 4 . 1 1 45 45 ASP HA H 80 4.855 4.855 4.462 0.393 17579 2181 1 4 . 1 1 45 45 ASP C C 80 176.500 176.500 175.547 0.953 17579 2182 1 4 . 1 1 45 45 ASP CA C 80 52.804 52.804 55.281 -2.477 17579 2183 1 4 . 1 1 45 45 ASP CB C 80 39.410 39.410 41.130 -1.720 17579 2184 1 4 . 1 1 45 45 ASP H H 80 8.603 8.603 8.383 0.220 17579 2185 1 4 . 1 1 46 46 ILE N N 81 118.477 118.477 121.608 -3.131 17579 2186 1 4 . 1 1 46 46 ILE HA H 81 4.073 4.073 4.339 -0.266 17579 2187 1 4 . 1 1 46 46 ILE C C 81 173.822 173.822 174.261 -0.439 17579 2188 1 4 . 1 1 46 46 ILE CA C 81 59.882 59.882 60.734 -0.852 17579 2189 1 4 . 1 1 46 46 ILE CB C 81 39.136 39.136 38.644 0.492 17579 2190 1 4 . 1 1 46 46 ILE H H 81 6.846 6.846 7.572 -0.726 17579 2191 1 4 . 1 1 47 47 SER N N 82 117.552 117.552 121.004 -3.452 17579 2192 1 4 . 1 1 47 47 SER HA H 82 4.628 4.628 4.739 -0.111 17579 2193 1 4 . 1 1 47 47 SER C C 82 176.920 176.920 172.295 4.625 17579 2194 1 4 . 1 1 47 47 SER CA C 82 55.444 55.444 56.041 -0.597 17579 2195 1 4 . 1 1 47 47 SER CB C 82 65.268 65.268 64.349 0.919 17579 2196 1 4 . 1 1 47 47 SER H H 82 7.774 7.774 8.329 -0.555 17579 2197 1 4 . 1 1 48 48 PRO HA H 83 4.259 4.259 4.576 -0.317 17579 2198 1 4 . 1 1 48 48 PRO CA C 83 62.312 62.312 62.559 -0.247 17579 2199 1 4 . 1 1 48 48 PRO CB C 83 30.564 30.564 32.309 -1.745 17579 2200 1 4 . 1 1 49 49 ALA N N 84 122.207 122.207 121.591 0.616 17579 2201 1 4 . 1 1 49 49 ALA HA H 84 3.978 3.978 3.985 -0.007 17579 2202 1 4 . 1 1 49 49 ALA C C 84 178.699 178.699 179.451 -0.752 17579 2203 1 4 . 1 1 49 49 ALA CA C 84 54.704 54.704 55.211 -0.507 17579 2204 1 4 . 1 1 49 49 ALA CB C 84 19.393 19.393 18.236 1.157 17579 2205 1 4 . 1 1 49 49 ALA H H 84 8.091 8.091 8.627 -0.536 17579 2206 1 4 . 1 1 50 50 ASP N N 85 113.440 113.440 118.158 -4.718 17579 2207 1 4 . 1 1 50 50 ASP HA H 85 4.338 4.338 4.366 -0.028 17579 2208 1 4 . 1 1 50 50 ASP C C 85 177.723 177.723 178.635 -0.912 17579 2209 1 4 . 1 1 50 50 ASP CA C 85 56.203 56.203 57.511 -1.308 17579 2210 1 4 . 1 1 50 50 ASP CB C 85 40.562 40.562 40.183 0.379 17579 2211 1 4 . 1 1 50 50 ASP H H 85 8.148 8.148 8.717 -0.569 17579 2212 1 4 . 1 1 51 51 VAL N N 86 116.604 116.604 116.528 0.076 17579 2213 1 4 . 1 1 51 51 VAL HA H 86 3.925 3.925 3.998 -0.073 17579 2214 1 4 . 1 1 51 51 VAL C C 86 176.966 176.966 177.651 -0.685 17579 2215 1 4 . 1 1 51 51 VAL CA C 86 65.241 65.241 64.751 0.490 17579 2216 1 4 . 1 1 51 51 VAL CB C 86 32.467 32.467 31.502 0.965 17579 2217 1 4 . 1 1 51 51 VAL H H 86 7.538 7.538 7.472 0.066 17579 2218 1 4 . 1 1 52 52 ILE N N 87 108.211 108.211 121.370 -13.159 17579 2219 1 4 . 1 1 52 52 ILE HA H 87 4.565 4.565 3.867 0.698 17579 2220 1 4 . 1 1 52 52 ILE C C 87 178.116 178.116 177.502 0.614 17579 2221 1 4 . 1 1 52 52 ILE CA C 87 60.165 60.165 63.699 -3.534 17579 2222 1 4 . 1 1 52 52 ILE CB C 87 41.048 41.048 36.713 4.335 17579 2223 1 4 . 1 1 52 52 ILE H H 87 7.283 7.283 8.595 -1.312 17579 2224 1 4 . 1 1 53 53 SER N N 88 116.088 116.088 114.455 1.633 17579 2225 1 4 . 1 1 53 53 SER HA H 88 4.538 4.538 4.393 0.145 17579 2226 1 4 . 1 1 53 53 SER CA C 88 61.852 61.852 59.827 2.025 17579 2227 1 4 . 1 1 53 53 SER CB C 88 62.604 62.604 64.255 -1.651 17579 2228 1 4 . 1 1 53 53 SER H H 88 7.845 7.845 8.084 -0.239 17579 2229 1 4 . 1 1 54 54 HIS N N 89 121.004 121.004 122.857 -1.853 17579 2230 1 4 . 1 1 54 54 HIS HA H 89 4.590 4.590 4.488 0.102 17579 2231 1 4 . 1 1 54 54 HIS C C 89 176.530 176.530 177.076 -0.546 17579 2232 1 4 . 1 1 54 54 HIS CA C 89 56.554 56.554 58.459 -1.905 17579 2233 1 4 . 1 1 54 54 HIS CB C 89 33.261 33.261 30.635 2.626 17579 2234 1 4 . 1 1 54 54 HIS H H 89 8.450 8.450 7.949 0.501 17579 2235 1 4 . 1 1 55 55 ILE N N 90 123.909 123.909 121.449 2.460 17579 2236 1 4 . 1 1 55 55 ILE HA H 90 4.583 4.583 3.488 1.095 17579 2237 1 4 . 1 1 55 55 ILE CA C 90 62.230 62.230 67.396 -5.166 17579 2238 1 4 . 1 1 55 55 ILE CB C 90 42.418 42.418 35.746 6.672 17579 2239 1 4 . 1 1 55 55 ILE H H 90 8.142 8.142 8.326 -0.184 17579 2240 1 4 . 1 1 56 56 PRO HA H 91 2.974 2.974 4.260 -1.286 17579 2241 1 4 . 1 1 56 56 PRO C C 91 177.132 177.132 178.754 -1.622 17579 2242 1 4 . 1 1 56 56 PRO CA C 91 66.917 66.917 65.880 1.037 17579 2243 1 4 . 1 1 56 56 PRO CB C 91 31.519 31.519 31.113 0.406 17579 2244 1 4 . 1 1 57 57 VAL N N 92 114.761 114.761 118.941 -4.180 17579 2245 1 4 . 1 1 57 57 VAL HA H 92 3.570 3.570 3.705 -0.135 17579 2246 1 4 . 1 1 57 57 VAL C C 92 177.995 177.995 178.094 -0.099 17579 2247 1 4 . 1 1 57 57 VAL CA C 92 66.358 66.358 66.585 -0.227 17579 2248 1 4 . 1 1 57 57 VAL CB C 92 31.694 31.694 31.928 -0.234 17579 2249 1 4 . 1 1 57 57 VAL H H 92 6.505 6.505 7.154 -0.649 17579 2250 1 4 . 1 1 58 58 LEU N N 93 120.572 120.572 118.617 1.955 17579 2251 1 4 . 1 1 58 58 LEU HA H 93 4.200 4.200 4.050 0.150 17579 2252 1 4 . 1 1 58 58 LEU C C 93 180.452 180.452 178.377 2.075 17579 2253 1 4 . 1 1 58 58 LEU CA C 93 57.938 57.938 58.126 -0.188 17579 2254 1 4 . 1 1 58 58 LEU CB C 93 43.394 43.394 40.694 2.700 17579 2255 1 4 . 1 1 58 58 LEU H H 93 7.432 7.432 8.150 -0.718 17579 2256 1 4 . 1 1 59 59 CYS N N 94 117.330 117.330 118.925 -1.595 17579 2257 1 4 . 1 1 59 59 CYS HA H 94 3.827 3.827 4.111 -0.284 17579 2258 1 4 . 1 1 59 59 CYS C C 94 177.986 177.986 176.105 1.881 17579 2259 1 4 . 1 1 59 59 CYS CA C 94 65.483 65.483 63.257 2.226 17579 2260 1 4 . 1 1 59 59 CYS CB C 94 26.552 26.552 27.791 -1.240 17579 2261 1 4 . 1 1 59 59 CYS H H 94 8.423 8.423 8.038 0.385 17579 2262 1 4 . 1 1 60 60 GLU N N 95 120.766 120.766 118.568 2.198 17579 2263 1 4 . 1 1 60 60 GLU HA H 95 3.512 3.512 4.117 -0.605 17579 2264 1 4 . 1 1 60 60 GLU C C 95 180.736 180.736 177.633 3.103 17579 2265 1 4 . 1 1 60 60 GLU CA C 95 59.909 59.909 58.353 1.556 17579 2266 1 4 . 1 1 60 60 GLU CB C 95 29.108 29.108 29.403 -0.295 17579 2267 1 4 . 1 1 60 60 GLU H H 95 8.237 8.237 7.893 0.344 17579 2268 1 4 . 1 1 61 61 ASP N N 96 120.591 120.591 118.842 1.749 17579 2269 1 4 . 1 1 61 61 ASP HA H 96 4.311 4.311 4.485 -0.174 17579 2270 1 4 . 1 1 61 61 ASP C C 96 178.004 178.004 177.329 0.675 17579 2271 1 4 . 1 1 61 61 ASP CA C 96 57.549 57.549 56.292 1.257 17579 2272 1 4 . 1 1 61 61 ASP CB C 96 41.083 41.083 41.228 -0.145 17579 2273 1 4 . 1 1 61 61 ASP H H 96 8.345 8.345 7.913 0.432 17579 2274 1 4 . 1 1 62 62 HIS N N 97 115.844 115.844 114.439 1.405 17579 2275 1 4 . 1 1 62 62 HIS HA H 97 4.575 4.575 4.844 -0.269 17579 2276 1 4 . 1 1 62 62 HIS C C 97 173.728 173.728 174.690 -0.962 17579 2277 1 4 . 1 1 62 62 HIS CA C 97 57.418 57.418 55.750 1.668 17579 2278 1 4 . 1 1 62 62 HIS CB C 97 30.067 30.067 32.770 -2.703 17579 2279 1 4 . 1 1 62 62 HIS H H 97 7.663 7.663 7.935 -0.272 17579 2280 1 4 . 1 1 63 63 SER N N 98 114.813 114.813 114.864 -0.051 17579 2281 1 4 . 1 1 63 63 SER HA H 98 4.097 4.097 4.161 -0.064 17579 2282 1 4 . 1 1 63 63 SER C C 98 173.789 173.789 173.907 -0.118 17579 2283 1 4 . 1 1 63 63 SER CA C 98 59.255 59.255 59.108 0.147 17579 2284 1 4 . 1 1 63 63 SER CB C 98 61.602 61.602 61.246 0.356 17579 2285 1 4 . 1 1 63 63 SER H H 98 7.861 7.861 8.198 -0.337 17579 2286 1 4 . 1 1 64 64 VAL N N 99 123.227 123.227 123.053 0.174 17579 2287 1 4 . 1 1 64 64 VAL HA H 99 4.157 4.157 4.386 -0.229 17579 2288 1 4 . 1 1 64 64 VAL C C 99 174.345 174.345 174.641 -0.296 17579 2289 1 4 . 1 1 64 64 VAL CA C 99 58.923 58.923 60.357 -1.434 17579 2290 1 4 . 1 1 64 64 VAL CB C 99 35.133 35.133 33.154 1.979 17579 2291 1 4 . 1 1 64 64 VAL H H 99 8.603 8.603 7.500 1.103 17579 2292 1 4 . 1 1 65 65 PRO HA H 100 4.260 4.260 4.520 -0.260 17579 2293 1 4 . 1 1 65 65 PRO C C 100 173.335 173.335 175.039 -1.704 17579 2294 1 4 . 1 1 65 65 PRO CA C 100 63.165 63.165 62.857 0.308 17579 2295 1 4 . 1 1 65 65 PRO CB C 100 32.083 32.083 30.022 2.061 17579 2296 1 4 . 1 1 66 66 TYR N N 101 114.840 114.840 124.612 -9.772 17579 2297 1 4 . 1 1 66 66 TYR HA H 101 5.900 5.900 4.678 1.222 17579 2298 1 4 . 1 1 66 66 TYR C C 101 170.503 170.503 173.071 -2.568 17579 2299 1 4 . 1 1 66 66 TYR CA C 101 53.986 53.986 56.461 -2.475 17579 2300 1 4 . 1 1 66 66 TYR CB C 101 41.998 41.998 40.653 1.345 17579 2301 1 4 . 1 1 66 66 TYR H H 101 6.219 6.219 7.921 -1.702 17579 2302 1 4 . 1 1 67 67 ILE N N 102 112.118 112.118 123.135 -11.017 17579 2303 1 4 . 1 1 67 67 ILE HA H 102 4.488 4.488 4.001 0.487 17579 2304 1 4 . 1 1 67 67 ILE C C 102 171.963 171.963 173.089 -1.126 17579 2305 1 4 . 1 1 67 67 ILE CA C 102 55.343 55.343 58.678 -3.335 17579 2306 1 4 . 1 1 67 67 ILE CB C 102 43.317 43.317 42.324 0.993 17579 2307 1 4 . 1 1 67 67 ILE H H 102 7.954 7.954 8.498 -0.544 17579 2308 1 4 . 1 1 68 68 PHE N N 103 122.272 122.272 125.305 -3.033 17579 2309 1 4 . 1 1 68 68 PHE HA H 103 5.945 5.945 4.986 0.959 17579 2310 1 4 . 1 1 68 68 PHE C C 103 176.374 176.374 175.081 1.293 17579 2311 1 4 . 1 1 68 68 PHE CA C 103 56.520 56.520 55.760 0.760 17579 2312 1 4 . 1 1 68 68 PHE CB C 103 40.518 40.518 41.350 -0.832 17579 2313 1 4 . 1 1 68 68 PHE H H 103 8.087 8.087 8.372 -0.285 17579 2314 1 4 . 1 1 69 69 ILE N N 104 114.672 114.672 119.573 -4.901 17579 2315 1 4 . 1 1 69 69 ILE HA H 104 2.991 2.991 4.821 -1.830 17579 2316 1 4 . 1 1 69 69 ILE C C 104 175.387 175.387 173.864 1.523 17579 2317 1 4 . 1 1 69 69 ILE CA C 104 57.903 57.903 58.049 -0.146 17579 2318 1 4 . 1 1 69 69 ILE CB C 104 38.207 38.207 39.754 -1.547 17579 2319 1 4 . 1 1 69 69 ILE H H 104 8.847 8.847 9.452 -0.605 17579 2320 1 4 . 1 1 70 70 PRO HA H 105 3.918 3.918 4.521 -0.603 17579 2321 1 4 . 1 1 70 70 PRO C C 105 177.442 177.442 175.893 1.549 17579 2322 1 4 . 1 1 70 70 PRO CA C 105 64.823 64.823 63.006 1.817 17579 2323 1 4 . 1 1 70 70 PRO CB C 105 35.906 35.906 29.940 5.966 17579 2324 1 4 . 1 1 71 71 SER N N 106 113.113 113.113 117.359 -4.246 17579 2325 1 4 . 1 1 71 71 SER HA H 106 4.261 4.261 4.618 -0.357 17579 2326 1 4 . 1 1 71 71 SER C C 106 175.111 175.111 174.581 0.530 17579 2327 1 4 . 1 1 71 71 SER CA C 106 60.111 60.111 57.771 2.340 17579 2328 1 4 . 1 1 71 71 SER CB C 106 63.687 63.687 66.131 -2.444 17579 2329 1 4 . 1 1 71 71 SER H H 106 7.904 7.904 8.142 -0.238 17579 2330 1 4 . 1 1 72 72 LYS N N 107 119.830 119.830 125.457 -5.627 17579 2331 1 4 . 1 1 72 72 LYS HA H 107 4.187 4.187 3.940 0.247 17579 2332 1 4 . 1 1 72 72 LYS CA C 107 58.783 58.783 60.127 -1.345 17579 2333 1 4 . 1 1 72 72 LYS CB C 107 30.951 30.951 32.398 -1.447 17579 2334 1 4 . 1 1 72 72 LYS H H 107 8.314 8.314 8.831 -0.517 17579 2335 1 4 . 1 1 73 73 GLN N N 108 123.860 123.860 118.484 5.376 17579 2336 1 4 . 1 1 73 73 GLN HA H 108 4.001 4.001 4.076 -0.075 17579 2337 1 4 . 1 1 73 73 GLN CA C 108 58.831 58.831 58.488 0.343 17579 2338 1 4 . 1 1 73 73 GLN CB C 108 28.451 28.451 27.821 0.630 17579 2339 1 4 . 1 1 73 73 GLN H H 108 8.510 8.510 8.649 -0.139 17579 2340 1 4 . 1 1 74 74 ASP N N 109 121.145 121.145 119.938 1.207 17579 2341 1 4 . 1 1 74 74 ASP HA H 109 4.389 4.389 4.516 -0.127 17579 2342 1 4 . 1 1 74 74 ASP C C 109 178.552 178.552 178.403 0.149 17579 2343 1 4 . 1 1 74 74 ASP H H 109 7.966 7.966 8.122 -0.156 17579 2344 1 4 . 1 1 75 75 LEU N N 110 121.098 121.098 120.225 0.873 17579 2345 1 4 . 1 1 75 75 LEU HA H 110 3.955 3.955 3.948 0.007 17579 2346 1 4 . 1 1 75 75 LEU C C 110 178.953 178.953 179.786 -0.833 17579 2347 1 4 . 1 1 75 75 LEU CA C 110 56.538 56.538 57.866 -1.328 17579 2348 1 4 . 1 1 75 75 LEU CB C 110 40.845 40.845 41.761 -0.916 17579 2349 1 4 . 1 1 75 75 LEU H H 110 7.932 7.932 8.248 -0.316 17579 2350 1 4 . 1 1 76 76 GLY N N 111 105.659 105.659 106.043 -0.384 17579 2351 1 4 . 1 1 76 76 GLY C C 111 175.510 175.510 175.162 0.348 17579 2352 1 4 . 1 1 76 76 GLY CA C 111 47.037 47.037 45.909 1.128 17579 2353 1 4 . 1 1 76 76 GLY H H 111 8.006 8.006 8.197 -0.191 17579 2354 1 4 . 1 1 77 77 ALA N N 112 122.987 122.987 123.925 -0.938 17579 2355 1 4 . 1 1 77 77 ALA HA H 112 4.112 4.112 4.161 -0.049 17579 2356 1 4 . 1 1 77 77 ALA C C 112 179.350 179.350 178.301 1.049 17579 2357 1 4 . 1 1 77 77 ALA CA C 112 53.930 53.930 54.574 -0.644 17579 2358 1 4 . 1 1 77 77 ALA CB C 112 18.727 18.727 18.701 0.026 17579 2359 1 4 . 1 1 77 77 ALA H H 112 7.824 7.824 7.997 -0.173 17579 2360 1 4 . 1 1 78 78 ALA N N 113 121.466 121.466 118.482 2.984 17579 2361 1 4 . 1 1 78 78 ALA HA H 113 4.189 4.189 4.329 -0.140 17579 2362 1 4 . 1 1 78 78 ALA C C 113 177.368 177.368 179.262 -1.894 17579 2363 1 4 . 1 1 78 78 ALA CA C 113 53.750 53.750 53.565 0.185 17579 2364 1 4 . 1 1 78 78 ALA CB C 113 19.231 19.231 19.916 -0.685 17579 2365 1 4 . 1 1 78 78 ALA H H 113 7.785 7.785 8.001 -0.216 17579 2366 1 4 . 1 1 79 79 GLY N N 114 104.016 104.016 106.762 -2.746 17579 2367 1 4 . 1 1 79 79 GLY CA C 114 45.256 45.256 45.939 -0.683 17579 2368 1 4 . 1 1 79 79 GLY H H 114 7.742 7.742 8.178 -0.436 17579 2369 1 4 . 1 1 80 80 ALA HA H 115 4.100 4.100 4.469 -0.369 17579 2370 1 4 . 1 1 80 80 ALA C C 115 176.526 176.526 177.191 -0.665 17579 2371 1 4 . 1 1 80 80 ALA CA C 115 53.482 53.482 52.018 1.464 17579 2372 1 4 . 1 1 80 80 ALA CB C 115 19.825 19.825 20.444 -0.619 17579 2373 1 4 . 1 1 81 81 THR N N 116 116.236 116.236 115.184 1.052 17579 2374 1 4 . 1 1 81 81 THR HA H 116 4.718 4.718 4.066 0.652 17579 2375 1 4 . 1 1 81 81 THR CA C 116 57.275 57.275 64.602 -7.327 17579 2376 1 4 . 1 1 81 81 THR CB C 116 64.878 64.878 68.430 -3.552 17579 2377 1 4 . 1 1 81 81 THR H H 116 8.068 8.068 8.585 -0.517 17579 2378 1 4 . 1 1 84 84 PRO HA H 119 4.072 4.072 4.522 -0.450 17579 2379 1 4 . 1 1 84 84 PRO CB C 119 32.154 32.154 32.094 0.060 17579 2380 1 4 . 1 1 85 85 THR N N 120 119.680 119.680 116.856 2.824 17579 2381 1 4 . 1 1 85 85 THR C C 120 175.333 175.333 174.465 0.868 17579 2382 1 4 . 1 1 85 85 THR CB C 120 71.769 71.769 70.862 0.906 17579 2383 1 4 . 1 1 85 85 THR H H 120 8.002 8.002 8.118 -0.116 17579 2384 1 4 . 1 1 86 86 SER N N 121 115.589 115.589 116.702 -1.113 17579 2385 1 4 . 1 1 86 86 SER HA H 121 4.325 4.325 4.449 -0.124 17579 2386 1 4 . 1 1 86 86 SER C C 121 172.929 172.929 174.238 -1.309 17579 2387 1 4 . 1 1 86 86 SER CA C 121 59.722 59.722 59.579 0.143 17579 2388 1 4 . 1 1 86 86 SER CB C 121 64.608 64.608 63.461 1.147 17579 2389 1 4 . 1 1 86 86 SER H H 121 7.335 7.335 8.629 -1.294 17579 2390 1 4 . 1 1 87 87 VAL N N 122 116.044 116.044 115.021 1.023 17579 2391 1 4 . 1 1 87 87 VAL HA H 122 5.200 5.200 4.664 0.536 17579 2392 1 4 . 1 1 87 87 VAL C C 122 172.465 172.465 174.083 -1.618 17579 2393 1 4 . 1 1 87 87 VAL CA C 122 59.819 59.819 61.381 -1.562 17579 2394 1 4 . 1 1 87 87 VAL CB C 122 33.368 33.368 34.471 -1.103 17579 2395 1 4 . 1 1 87 87 VAL H H 122 7.152 7.152 7.408 -0.256 17579 2396 1 4 . 1 1 88 88 VAL N N 123 119.350 119.350 122.851 -3.501 17579 2397 1 4 . 1 1 88 88 VAL HA H 123 5.091 5.091 4.580 0.511 17579 2398 1 4 . 1 1 88 88 VAL C C 123 173.214 173.214 173.934 -0.720 17579 2399 1 4 . 1 1 88 88 VAL CA C 123 59.219 59.219 61.008 -1.789 17579 2400 1 4 . 1 1 88 88 VAL CB C 123 36.362 36.362 36.782 -0.421 17579 2401 1 4 . 1 1 88 88 VAL H H 123 8.851 8.851 8.691 0.160 17579 2402 1 4 . 1 1 89 89 PHE N N 124 122.568 122.568 124.799 -2.231 17579 2403 1 4 . 1 1 89 89 PHE HA H 124 5.613 5.613 5.155 0.458 17579 2404 1 4 . 1 1 89 89 PHE C C 124 174.887 174.887 175.144 -0.257 17579 2405 1 4 . 1 1 89 89 PHE CA C 124 52.961 52.961 56.349 -3.388 17579 2406 1 4 . 1 1 89 89 PHE CB C 124 42.788 42.788 41.965 0.823 17579 2407 1 4 . 1 1 89 89 PHE H H 124 9.051 9.051 9.189 -0.138 17579 2408 1 4 . 1 1 90 90 ILE N N 125 127.707 127.707 127.433 0.274 17579 2409 1 4 . 1 1 90 90 ILE HA H 125 4.264 4.264 4.331 -0.067 17579 2410 1 4 . 1 1 90 90 ILE C C 125 173.870 173.870 175.498 -1.628 17579 2411 1 4 . 1 1 90 90 ILE CA C 125 61.789 61.789 60.246 1.543 17579 2412 1 4 . 1 1 90 90 ILE CB C 125 39.785 39.785 37.916 1.869 17579 2413 1 4 . 1 1 90 90 ILE H H 125 9.477 9.477 9.347 0.130 17579 2414 1 4 . 1 1 91 91 VAL N N 126 126.579 126.579 120.278 6.301 17579 2415 1 4 . 1 1 91 91 VAL HA H 126 4.566 4.566 4.931 -0.365 17579 2416 1 4 . 1 1 91 91 VAL C C 126 173.829 173.829 173.542 0.287 17579 2417 1 4 . 1 1 91 91 VAL CA C 126 58.701 58.701 58.073 0.628 17579 2418 1 4 . 1 1 91 91 VAL CB C 126 32.989 32.989 33.812 -0.823 17579 2419 1 4 . 1 1 91 91 VAL H H 126 8.149 8.149 8.899 -0.750 17579 2420 1 4 . 1 1 92 92 PRO HA H 127 4.035 4.035 4.515 -0.480 17579 2421 1 4 . 1 1 92 92 PRO C C 127 177.766 177.766 176.878 0.888 17579 2422 1 4 . 1 1 92 92 PRO CA C 127 63.684 63.684 62.855 0.829 17579 2423 1 4 . 1 1 92 92 PRO CB C 127 32.178 32.178 32.554 -0.376 17579 2424 1 4 . 1 1 93 93 GLY N N 128 108.618 108.618 109.940 -1.322 17579 2425 1 4 . 1 1 93 93 GLY CA C 128 45.787 45.787 44.575 1.212 17579 2426 1 4 . 1 1 93 93 GLY H H 128 7.970 7.970 8.382 -0.412 17579 2427 1 4 . 1 1 94 94 SER N N 129 113.620 113.620 114.108 -0.488 17579 2428 1 4 . 1 1 94 94 SER HA H 129 4.317 4.317 4.479 -0.162 17579 2429 1 4 . 1 1 94 94 SER C C 129 180.379 180.379 175.055 5.324 17579 2430 1 4 . 1 1 94 94 SER CA C 129 58.566 58.566 57.291 1.275 17579 2431 1 4 . 1 1 94 94 SER H H 129 7.952 7.952 8.278 -0.326 17579 2432 1 4 . 1 1 95 95 ASN N N 130 120.775 120.775 119.992 0.783 17579 2433 1 4 . 1 1 95 95 ASN HA H 130 3.964 3.964 4.507 -0.543 17579 2434 1 4 . 1 1 95 95 ASN C C 130 178.664 178.664 176.683 1.981 17579 2435 1 4 . 1 1 95 95 ASN CA C 130 57.689 57.689 55.866 1.823 17579 2436 1 4 . 1 1 95 95 ASN CB C 130 42.288 42.288 38.335 3.953 17579 2437 1 4 . 1 1 95 95 ASN H H 130 8.300 8.300 8.821 -0.521 17579 2438 1 4 . 1 1 96 96 LYS N N 131 119.316 119.316 116.693 2.623 17579 2439 1 4 . 1 1 96 96 LYS HA H 131 4.095 4.095 4.207 -0.112 17579 2440 1 4 . 1 1 96 96 LYS C C 131 178.290 178.290 177.725 0.565 17579 2441 1 4 . 1 1 96 96 LYS CA C 131 59.062 59.062 57.915 1.147 17579 2442 1 4 . 1 1 96 96 LYS CB C 131 29.745 29.745 32.278 -2.533 17579 2443 1 4 . 1 1 96 96 LYS H H 131 7.896 7.896 8.218 -0.322 17579 2444 1 4 . 1 1 97 97 LYS N N 132 117.523 117.523 120.438 -2.915 17579 2445 1 4 . 1 1 97 97 LYS C C 132 176.927 176.927 179.662 -2.735 17579 2446 1 4 . 1 1 97 97 LYS CA C 132 58.555 58.555 58.895 -0.340 17579 2447 1 4 . 1 1 97 97 LYS CB C 132 30.578 30.578 32.468 -1.890 17579 2448 1 4 . 1 1 97 97 LYS H H 132 7.791 7.791 7.661 0.130 17579 2449 1 4 . 1 1 98 98 LYS HA H 133 4.236 4.236 4.190 0.046 17579 2450 1 4 . 1 1 98 98 LYS C C 133 176.606 176.606 177.349 -0.743 17579 2451 1 4 . 1 1 98 98 LYS CA C 133 57.225 57.225 58.833 -1.608 17579 2452 1 4 . 1 1 98 98 LYS CB C 133 33.151 33.151 32.356 0.795 17579 2453 1 4 . 1 1 99 99 ASP N N 134 120.311 120.311 116.260 4.051 17579 2454 1 4 . 1 1 99 99 ASP HA H 134 4.584 4.584 4.960 -0.376 17579 2455 1 4 . 1 1 99 99 ASP C C 134 176.899 176.899 176.216 0.683 17579 2456 1 4 . 1 1 99 99 ASP CA C 134 54.402 54.402 53.886 0.516 17579 2457 1 4 . 1 1 99 99 ASP CB C 134 41.568 41.568 41.986 -0.418 17579 2458 1 4 . 1 1 99 99 ASP H H 134 8.267 8.267 7.705 0.562 17579 2459 1 4 . 1 1 100 100 GLY N N 135 108.751 108.751 109.169 -0.418 17579 2460 1 4 . 1 1 100 100 GLY C C 135 174.683 174.683 174.556 0.127 17579 2461 1 4 . 1 1 100 100 GLY CA C 135 45.985 45.985 45.008 0.977 17579 2462 1 4 . 1 1 100 100 GLY H H 135 8.235 8.235 7.865 0.370 17579 2463 1 4 . 1 1 101 101 LYS N N 136 120.306 120.306 119.659 0.647 17579 2464 1 4 . 1 1 101 101 LYS HA H 136 4.279 4.279 4.189 0.090 17579 2465 1 4 . 1 1 101 101 LYS C C 136 175.145 175.145 177.075 -1.930 17579 2466 1 4 . 1 1 101 101 LYS CA C 136 56.875 56.875 56.945 -0.070 17579 2467 1 4 . 1 1 101 101 LYS CB C 136 32.987 32.987 32.597 0.390 17579 2468 1 4 . 1 1 101 101 LYS H H 136 8.148 8.148 8.173 -0.025 17579 2469 1 4 . 1 1 102 102 ASN N N 137 118.958 118.958 118.048 0.910 17579 2470 1 4 . 1 1 102 102 ASN HA H 137 4.707 4.707 4.667 0.040 17579 2471 1 4 . 1 1 102 102 ASN C C 137 175.849 175.849 177.208 -1.359 17579 2472 1 4 . 1 1 102 102 ASN CA C 137 53.816 53.816 54.853 -1.037 17579 2473 1 4 . 1 1 102 102 ASN CB C 137 39.070 39.070 38.844 0.226 17579 2474 1 4 . 1 1 102 102 ASN H H 137 8.406 8.406 8.511 -0.105 17579 2475 1 4 . 1 1 103 103 LYS N N 138 121.782 121.782 121.679 0.103 17579 2476 1 4 . 1 1 103 103 LYS HA H 138 4.255 4.255 3.940 0.315 17579 2477 1 4 . 1 1 103 103 LYS CA C 138 56.641 56.641 59.543 -2.902 17579 2478 1 4 . 1 1 103 103 LYS CB C 138 32.911 32.911 32.164 0.747 17579 2479 1 4 . 1 1 103 103 LYS H H 138 8.316 8.316 8.301 0.015 17579 2480 1 4 . 1 1 104 104 GLU N N 139 121.053 121.053 117.370 3.683 17579 2481 1 4 . 1 1 104 104 GLU CA C 139 57.449 57.449 59.391 -1.942 17579 2482 1 4 . 1 1 104 104 GLU CB C 139 29.983 29.983 28.516 1.467 17579 2483 1 4 . 1 1 104 104 GLU H H 139 8.459 8.459 8.595 -0.136 17579 2484 1 4 . 1 1 106 106 GLU N N 141 122.191 122.191 119.628 2.563 17579 2485 1 4 . 1 1 106 106 GLU HA H 141 4.268 4.268 4.043 0.225 17579 2486 1 4 . 1 1 106 106 GLU CA C 141 64.025 64.025 59.390 4.635 17579 2487 1 4 . 1 1 106 106 GLU CB C 141 32.117 32.117 29.520 2.597 17579 2488 1 4 . 1 1 106 106 GLU H H 141 8.291 8.291 7.991 0.300 17579 2489 1 4 . 1 1 107 107 TYR N N 142 115.802 115.802 122.159 -6.357 17579 2490 1 4 . 1 1 107 107 TYR HA H 142 4.996 4.996 4.068 0.928 17579 2491 1 4 . 1 1 107 107 TYR C C 142 175.381 175.381 177.296 -1.915 17579 2492 1 4 . 1 1 107 107 TYR CA C 142 57.581 57.581 61.011 -3.430 17579 2493 1 4 . 1 1 107 107 TYR CB C 142 39.533 39.533 38.171 1.362 17579 2494 1 4 . 1 1 107 107 TYR H H 142 7.344 7.344 8.888 -1.544 17579 2495 1 4 . 1 1 108 108 LYS N N 143 123.473 123.473 118.832 4.641 17579 2496 1 4 . 1 1 108 108 LYS HA H 143 3.628 3.628 3.290 0.338 17579 2497 1 4 . 1 1 108 108 LYS C C 143 177.659 177.659 178.512 -0.853 17579 2498 1 4 . 1 1 108 108 LYS CA C 143 59.988 59.988 59.578 0.410 17579 2499 1 4 . 1 1 108 108 LYS CB C 143 32.294 32.294 32.167 0.127 17579 2500 1 4 . 1 1 108 108 LYS H H 143 7.376 7.376 7.976 -0.600 17579 2501 1 4 . 1 1 109 109 GLU N N 144 118.799 118.799 119.066 -0.267 17579 2502 1 4 . 1 1 109 109 GLU HA H 144 4.048 4.048 4.119 -0.071 17579 2503 1 4 . 1 1 109 109 GLU C C 144 179.583 179.583 179.216 0.367 17579 2504 1 4 . 1 1 109 109 GLU CA C 144 60.200 60.200 59.170 1.030 17579 2505 1 4 . 1 1 109 109 GLU CB C 144 29.237 29.237 29.103 0.134 17579 2506 1 4 . 1 1 109 109 GLU H H 144 8.558 8.558 8.214 0.344 17579 2507 1 4 . 1 1 110 110 SER N N 145 116.121 116.121 116.009 0.112 17579 2508 1 4 . 1 1 110 110 SER HA H 145 4.319 4.319 4.224 0.094 17579 2509 1 4 . 1 1 110 110 SER C C 145 176.522 176.522 176.789 -0.267 17579 2510 1 4 . 1 1 110 110 SER CA C 145 61.990 61.990 61.461 0.529 17579 2511 1 4 . 1 1 110 110 SER CB C 145 63.293 63.293 63.093 0.200 17579 2512 1 4 . 1 1 110 110 SER H H 145 8.094 8.094 8.003 0.091 17579 2513 1 4 . 1 1 111 111 PHE N N 146 122.311 122.311 123.725 -1.414 17579 2514 1 4 . 1 1 111 111 PHE HA H 146 4.021 4.021 4.102 -0.081 17579 2515 1 4 . 1 1 111 111 PHE C C 146 176.001 176.001 176.088 -0.087 17579 2516 1 4 . 1 1 111 111 PHE CA C 146 62.504 62.504 61.021 1.483 17579 2517 1 4 . 1 1 111 111 PHE CB C 146 39.861 39.861 38.898 0.963 17579 2518 1 4 . 1 1 111 111 PHE H H 146 8.536 8.536 8.258 0.278 17579 2519 1 4 . 1 1 112 112 ASN N N 147 117.908 117.908 116.420 1.488 17579 2520 1 4 . 1 1 112 112 ASN HA H 147 4.252 4.252 4.179 0.073 17579 2521 1 4 . 1 1 112 112 ASN C C 147 178.315 178.315 177.577 0.738 17579 2522 1 4 . 1 1 112 112 ASN CA C 147 56.226 56.226 56.276 -0.050 17579 2523 1 4 . 1 1 112 112 ASN CB C 147 37.990 37.990 37.912 0.078 17579 2524 1 4 . 1 1 112 112 ASN H H 147 8.795 8.795 8.644 0.151 17579 2525 1 4 . 1 1 113 113 GLU N N 148 119.868 119.868 121.249 -1.381 17579 2526 1 4 . 1 1 113 113 GLU HA H 148 4.024 4.024 4.060 -0.036 17579 2527 1 4 . 1 1 113 113 GLU C C 148 179.410 179.410 178.639 0.771 17579 2528 1 4 . 1 1 113 113 GLU CA C 148 59.710 59.710 59.176 0.534 17579 2529 1 4 . 1 1 113 113 GLU CB C 148 30.063 30.063 29.425 0.638 17579 2530 1 4 . 1 1 113 113 GLU H H 148 7.764 7.764 8.008 -0.244 17579 2531 1 4 . 1 1 114 114 VAL N N 149 119.684 119.684 117.294 2.390 17579 2532 1 4 . 1 1 114 114 VAL HA H 149 3.544 3.544 3.780 -0.236 17579 2533 1 4 . 1 1 114 114 VAL C C 149 177.613 177.613 177.853 -0.240 17579 2534 1 4 . 1 1 114 114 VAL CA C 149 66.977 66.977 65.187 1.790 17579 2535 1 4 . 1 1 114 114 VAL CB C 149 30.605 30.605 30.916 -0.311 17579 2536 1 4 . 1 1 114 114 VAL H H 149 7.973 7.973 7.852 0.121 17579 2537 1 4 . 1 1 115 115 VAL N N 150 119.782 119.782 120.928 -1.146 17579 2538 1 4 . 1 1 115 115 VAL HA H 150 3.164 3.164 3.413 -0.249 17579 2539 1 4 . 1 1 115 115 VAL C C 150 177.499 177.499 178.087 -0.588 17579 2540 1 4 . 1 1 115 115 VAL CA C 150 68.301 68.301 66.733 1.568 17579 2541 1 4 . 1 1 115 115 VAL CB C 150 31.483 31.483 30.935 0.548 17579 2542 1 4 . 1 1 115 115 VAL H H 150 8.452 8.452 8.239 0.213 17579 2543 1 4 . 1 1 116 116 LYS N N 151 118.842 118.842 119.907 -1.065 17579 2544 1 4 . 1 1 116 116 LYS HA H 151 4.024 4.024 3.992 0.032 17579 2545 1 4 . 1 1 116 116 LYS C C 151 179.862 179.862 178.638 1.224 17579 2546 1 4 . 1 1 116 116 LYS CA C 151 59.947 59.947 59.837 0.110 17579 2547 1 4 . 1 1 116 116 LYS CB C 151 32.481 32.481 32.198 0.283 17579 2548 1 4 . 1 1 116 116 LYS H H 151 7.595 7.595 7.824 -0.229 17579 2549 1 4 . 1 1 117 117 GLU N N 152 120.243 120.243 120.184 0.059 17579 2550 1 4 . 1 1 117 117 GLU HA H 152 4.052 4.052 4.077 -0.025 17579 2551 1 4 . 1 1 117 117 GLU C C 152 179.528 179.528 178.323 1.205 17579 2552 1 4 . 1 1 117 117 GLU CA C 152 60.178 60.178 59.132 1.046 17579 2553 1 4 . 1 1 117 117 GLU CB C 152 29.949 29.949 29.902 0.047 17579 2554 1 4 . 1 1 117 117 GLU H H 152 7.513 7.513 7.970 -0.457 17579 2555 1 4 . 1 1 118 118 VAL N N 153 120.596 120.596 117.932 2.664 17579 2556 1 4 . 1 1 118 118 VAL HA H 153 3.464 3.464 3.762 -0.298 17579 2557 1 4 . 1 1 118 118 VAL C C 153 177.984 177.984 177.304 0.680 17579 2558 1 4 . 1 1 118 118 VAL CA C 153 68.047 68.047 64.763 3.284 17579 2559 1 4 . 1 1 118 118 VAL CB C 153 32.056 32.056 31.674 0.382 17579 2560 1 4 . 1 1 118 118 VAL H H 153 8.649 8.649 7.847 0.802 17579 2561 1 4 . 1 1 119 119 GLN N N 154 118.317 118.317 118.873 -0.556 17579 2562 1 4 . 1 1 119 119 GLN HA H 154 3.986 3.986 4.074 -0.088 17579 2563 1 4 . 1 1 119 119 GLN C C 154 178.984 178.984 177.107 1.877 17579 2564 1 4 . 1 1 119 119 GLN CA C 154 59.716 59.716 58.118 1.598 17579 2565 1 4 . 1 1 119 119 GLN CB C 154 28.261 28.261 29.151 -0.890 17579 2566 1 4 . 1 1 119 119 GLN H H 154 8.947 8.947 7.770 1.177 17579 2567 1 4 . 1 1 120 120 ALA N N 155 120.688 120.688 120.311 0.377 17579 2568 1 4 . 1 1 120 120 ALA HA H 155 3.484 3.484 4.231 -0.747 17579 2569 1 4 . 1 1 120 120 ALA C C 155 180.759 180.759 177.210 3.549 17579 2570 1 4 . 1 1 120 120 ALA CA C 155 55.257 55.257 52.519 2.738 17579 2571 1 4 . 1 1 120 120 ALA CB C 155 18.446 18.446 19.873 -1.427 17579 2572 1 4 . 1 1 120 120 ALA H H 155 7.494 7.494 7.845 -0.351 17579 2573 1 5 . 1 1 2 2 LYS N N 37 124.936 124.936 121.919 3.017 17579 2574 1 5 . 1 1 2 2 LYS HA H 37 4.053 4.053 4.082 -0.029 17579 2575 1 5 . 1 1 2 2 LYS C C 37 172.929 172.929 178.220 -5.291 17579 2576 1 5 . 1 1 2 2 LYS CA C 37 60.975 60.975 59.384 1.591 17579 2577 1 5 . 1 1 2 2 LYS CB C 37 32.607 32.607 32.235 0.372 17579 2578 1 5 . 1 1 2 2 LYS H H 37 7.564 7.564 8.458 -0.894 17579 2579 1 5 . 1 1 3 3 LYS N N 38 118.300 118.300 117.911 0.389 17579 2580 1 5 . 1 1 3 3 LYS HA H 38 4.045 4.045 4.179 -0.134 17579 2581 1 5 . 1 1 3 3 LYS C C 38 179.361 179.361 177.822 1.539 17579 2582 1 5 . 1 1 3 3 LYS CA C 38 59.930 59.930 58.663 1.266 17579 2583 1 5 . 1 1 3 3 LYS CB C 38 32.885 32.885 31.750 1.135 17579 2584 1 5 . 1 1 3 3 LYS H H 38 8.234 8.234 8.162 0.072 17579 2585 1 5 . 1 1 4 4 LEU N N 39 122.081 122.081 123.010 -0.929 17579 2586 1 5 . 1 1 4 4 LEU HA H 39 4.135 4.135 3.916 0.219 17579 2587 1 5 . 1 1 4 4 LEU C C 39 178.433 178.433 178.054 0.379 17579 2588 1 5 . 1 1 4 4 LEU CA C 39 57.726 57.726 58.573 -0.847 17579 2589 1 5 . 1 1 4 4 LEU CB C 39 40.588 40.588 41.695 -1.107 17579 2590 1 5 . 1 1 4 4 LEU H H 39 7.856 7.856 7.551 0.305 17579 2591 1 5 . 1 1 5 5 ASN N N 40 118.758 118.758 115.786 2.972 17579 2592 1 5 . 1 1 5 5 ASN HA H 40 3.994 3.994 4.194 -0.200 17579 2593 1 5 . 1 1 5 5 ASN C C 40 176.246 176.246 177.249 -1.003 17579 2594 1 5 . 1 1 5 5 ASN CA C 40 57.843 57.843 56.564 1.279 17579 2595 1 5 . 1 1 5 5 ASN CB C 40 40.430 40.430 38.393 2.037 17579 2596 1 5 . 1 1 5 5 ASN H H 40 9.241 9.241 7.953 1.288 17579 2597 1 5 . 1 1 6 6 LYS N N 41 115.665 115.665 120.029 -4.364 17579 2598 1 5 . 1 1 6 6 LYS HA H 41 3.929 3.929 4.014 -0.085 17579 2599 1 5 . 1 1 6 6 LYS C C 41 179.318 179.318 178.940 0.378 17579 2600 1 5 . 1 1 6 6 LYS CA C 41 60.130 60.130 58.932 1.198 17579 2601 1 5 . 1 1 6 6 LYS CB C 41 32.580 32.580 31.909 0.671 17579 2602 1 5 . 1 1 6 6 LYS H H 41 7.239 7.239 7.446 -0.207 17579 2603 1 5 . 1 1 7 7 LYS N N 42 119.038 119.038 119.664 -0.626 17579 2604 1 5 . 1 1 7 7 LYS HA H 42 4.037 4.037 4.033 0.004 17579 2605 1 5 . 1 1 7 7 LYS C C 42 180.428 180.428 179.329 1.099 17579 2606 1 5 . 1 1 7 7 LYS CA C 42 60.178 60.178 58.953 1.225 17579 2607 1 5 . 1 1 7 7 LYS CB C 42 33.670 33.670 32.208 1.462 17579 2608 1 5 . 1 1 7 7 LYS H H 42 7.358 7.358 7.904 -0.546 17579 2609 1 5 . 1 1 8 8 VAL N N 43 122.489 122.489 119.364 3.125 17579 2610 1 5 . 1 1 8 8 VAL HA H 43 3.263 3.263 3.748 -0.485 17579 2611 1 5 . 1 1 8 8 VAL C C 43 177.823 177.823 177.840 -0.017 17579 2612 1 5 . 1 1 8 8 VAL CA C 43 67.836 67.836 67.016 0.820 17579 2613 1 5 . 1 1 8 8 VAL CB C 43 31.523 31.523 31.737 -0.214 17579 2614 1 5 . 1 1 8 8 VAL H H 43 9.167 9.167 8.433 0.734 17579 2615 1 5 . 1 1 9 9 LEU N N 44 119.740 119.740 118.081 1.659 17579 2616 1 5 . 1 1 9 9 LEU HA H 44 3.964 3.964 4.012 -0.048 17579 2617 1 5 . 1 1 9 9 LEU C C 44 179.700 179.700 178.577 1.123 17579 2618 1 5 . 1 1 9 9 LEU CA C 44 58.742 58.742 58.517 0.225 17579 2619 1 5 . 1 1 9 9 LEU CB C 44 41.239 41.239 41.005 0.234 17579 2620 1 5 . 1 1 9 9 LEU H H 44 8.437 8.437 8.048 0.389 17579 2621 1 5 . 1 1 10 10 LYS N N 45 119.832 119.832 119.550 0.282 17579 2622 1 5 . 1 1 10 10 LYS HA H 45 4.013 4.013 4.056 -0.043 17579 2623 1 5 . 1 1 10 10 LYS C C 45 178.847 178.847 179.062 -0.215 17579 2624 1 5 . 1 1 10 10 LYS CA C 45 60.146 60.146 59.076 1.070 17579 2625 1 5 . 1 1 10 10 LYS CB C 45 32.583 32.583 31.625 0.958 17579 2626 1 5 . 1 1 10 10 LYS H H 45 7.857 7.857 8.350 -0.493 17579 2627 1 5 . 1 1 11 11 THR N N 46 116.695 116.695 117.610 -0.915 17579 2628 1 5 . 1 1 11 11 THR HA H 46 4.327 4.327 3.667 0.660 17579 2629 1 5 . 1 1 11 11 THR C C 46 176.211 176.211 176.241 -0.030 17579 2630 1 5 . 1 1 11 11 THR CA C 46 68.237 68.237 67.181 1.056 17579 2631 1 5 . 1 1 11 11 THR CB C 46 68.312 68.312 68.690 -0.378 17579 2632 1 5 . 1 1 11 11 THR H H 46 7.796 7.796 8.049 -0.253 17579 2633 1 5 . 1 1 12 12 VAL N N 47 122.013 122.013 120.996 1.017 17579 2634 1 5 . 1 1 12 12 VAL HA H 47 3.235 3.235 3.528 -0.293 17579 2635 1 5 . 1 1 12 12 VAL C C 47 177.909 177.909 176.706 1.203 17579 2636 1 5 . 1 1 12 12 VAL CA C 47 67.838 67.838 65.435 2.403 17579 2637 1 5 . 1 1 12 12 VAL CB C 47 31.706 31.706 31.820 -0.114 17579 2638 1 5 . 1 1 12 12 VAL H H 47 8.762 8.762 8.102 0.660 17579 2639 1 5 . 1 1 13 13 LYS N N 48 118.035 118.035 119.141 -1.106 17579 2640 1 5 . 1 1 13 13 LYS HA H 48 3.828 3.828 3.992 -0.164 17579 2641 1 5 . 1 1 13 13 LYS CA C 48 59.960 59.960 59.075 0.885 17579 2642 1 5 . 1 1 13 13 LYS CB C 48 32.837 32.837 32.193 0.644 17579 2643 1 5 . 1 1 13 13 LYS H H 48 7.492 7.492 7.754 -0.262 17579 2644 1 5 . 1 1 14 14 LYS N N 49 120.565 120.565 117.716 2.849 17579 2645 1 5 . 1 1 14 14 LYS HA H 49 3.952 3.952 4.245 -0.293 17579 2646 1 5 . 1 1 14 14 LYS C C 49 179.608 179.608 178.883 0.725 17579 2647 1 5 . 1 1 14 14 LYS CA C 49 59.950 59.950 58.619 1.331 17579 2648 1 5 . 1 1 14 14 LYS CB C 49 33.723 33.723 32.592 1.131 17579 2649 1 5 . 1 1 14 14 LYS H H 49 7.498 7.498 7.768 -0.270 17579 2650 1 5 . 1 1 15 15 ALA N N 50 122.192 122.192 122.575 -0.383 17579 2651 1 5 . 1 1 15 15 ALA HA H 50 3.467 3.467 4.254 -0.787 17579 2652 1 5 . 1 1 15 15 ALA C C 50 179.970 179.970 179.837 0.133 17579 2653 1 5 . 1 1 15 15 ALA CA C 50 54.950 54.950 54.962 -0.012 17579 2654 1 5 . 1 1 15 15 ALA CB C 50 19.270 19.270 17.738 1.532 17579 2655 1 5 . 1 1 15 15 ALA H H 50 8.529 8.529 8.116 0.413 17579 2656 1 5 . 1 1 16 16 SER N N 51 116.624 116.624 113.083 3.541 17579 2657 1 5 . 1 1 16 16 SER HA H 51 4.696 4.696 4.169 0.527 17579 2658 1 5 . 1 1 16 16 SER C C 51 178.705 178.705 176.430 2.275 17579 2659 1 5 . 1 1 16 16 SER CA C 51 62.206 62.206 61.157 1.049 17579 2660 1 5 . 1 1 16 16 SER CB C 51 62.918 62.918 63.110 -0.192 17579 2661 1 5 . 1 1 16 16 SER H H 51 8.542 8.542 8.112 0.430 17579 2662 1 5 . 1 1 17 17 LYS N N 52 124.866 124.866 120.216 4.650 17579 2663 1 5 . 1 1 17 17 LYS HA H 52 4.051 4.051 4.226 -0.175 17579 2664 1 5 . 1 1 17 17 LYS C C 52 177.563 177.563 177.428 0.135 17579 2665 1 5 . 1 1 17 17 LYS CA C 52 59.290 59.290 57.584 1.706 17579 2666 1 5 . 1 1 17 17 LYS CB C 52 32.104 32.104 32.583 -0.479 17579 2667 1 5 . 1 1 17 17 LYS H H 52 7.553 7.553 8.006 -0.453 17579 2668 1 5 . 1 1 18 18 ALA N N 53 118.801 118.801 119.983 -1.182 17579 2669 1 5 . 1 1 18 18 ALA HA H 53 4.280 4.280 4.477 -0.197 17579 2670 1 5 . 1 1 18 18 ALA C C 53 175.253 175.253 176.155 -0.902 17579 2671 1 5 . 1 1 18 18 ALA CA C 53 52.222 52.222 51.025 1.197 17579 2672 1 5 . 1 1 18 18 ALA CB C 53 19.566 19.566 18.755 0.811 17579 2673 1 5 . 1 1 18 18 ALA H H 53 7.092 7.092 7.494 -0.402 17579 2674 1 5 . 1 1 19 19 LYS N N 54 112.119 112.119 115.817 -3.698 17579 2675 1 5 . 1 1 19 19 LYS HA H 54 4.027 4.027 3.973 0.054 17579 2676 1 5 . 1 1 19 19 LYS C C 54 177.191 177.191 175.645 1.546 17579 2677 1 5 . 1 1 19 19 LYS CA C 54 57.435 57.435 57.287 0.148 17579 2678 1 5 . 1 1 19 19 LYS CB C 54 28.420 28.420 30.871 -2.451 17579 2679 1 5 . 1 1 19 19 LYS H H 54 7.644 7.644 7.587 0.057 17579 2680 1 5 . 1 1 20 20 ASN N N 55 116.236 116.236 114.679 1.557 17579 2681 1 5 . 1 1 20 20 ASN HA H 55 5.090 5.090 4.900 0.190 17579 2682 1 5 . 1 1 20 20 ASN C C 55 173.176 173.176 174.162 -0.986 17579 2683 1 5 . 1 1 20 20 ASN CA C 55 51.617 51.617 53.263 -1.645 17579 2684 1 5 . 1 1 20 20 ASN CB C 55 40.642 40.642 40.603 0.039 17579 2685 1 5 . 1 1 20 20 ASN H H 55 8.099 8.099 8.074 0.025 17579 2686 1 5 . 1 1 21 21 VAL N N 56 115.268 115.268 116.548 -1.280 17579 2687 1 5 . 1 1 21 21 VAL HA H 56 4.864 4.864 4.270 0.594 17579 2688 1 5 . 1 1 21 21 VAL C C 56 175.526 175.526 175.026 0.500 17579 2689 1 5 . 1 1 21 21 VAL CA C 56 61.314 61.314 60.959 0.355 17579 2690 1 5 . 1 1 21 21 VAL CB C 56 35.532 35.532 33.021 2.511 17579 2691 1 5 . 1 1 21 21 VAL H H 56 7.621 7.621 7.519 0.102 17579 2692 1 5 . 1 1 22 22 LYS N N 57 126.903 126.903 127.989 -1.086 17579 2693 1 5 . 1 1 22 22 LYS HA H 57 4.682 4.682 4.735 -0.053 17579 2694 1 5 . 1 1 22 22 LYS C C 57 175.564 175.564 175.335 0.229 17579 2695 1 5 . 1 1 22 22 LYS CA C 57 54.694 54.694 54.280 0.414 17579 2696 1 5 . 1 1 22 22 LYS CB C 57 33.975 33.975 33.512 0.463 17579 2697 1 5 . 1 1 22 22 LYS H H 57 9.006 9.006 8.443 0.563 17579 2698 1 5 . 1 1 23 23 ARG N N 58 122.053 122.053 122.477 -0.424 17579 2699 1 5 . 1 1 23 23 ARG HA H 58 4.850 4.850 4.495 0.355 17579 2700 1 5 . 1 1 23 23 ARG C C 58 176.136 176.136 176.510 -0.374 17579 2701 1 5 . 1 1 23 23 ARG CA C 58 56.100 56.100 54.923 1.177 17579 2702 1 5 . 1 1 23 23 ARG CB C 58 33.752 33.752 31.463 2.289 17579 2703 1 5 . 1 1 23 23 ARG H H 58 8.994 8.994 8.879 0.115 17579 2704 1 5 . 1 1 24 24 GLY N N 59 110.836 110.836 107.858 2.978 17579 2705 1 5 . 1 1 24 24 GLY C C 59 173.053 173.053 174.544 -1.491 17579 2706 1 5 . 1 1 24 24 GLY CA C 59 45.028 45.028 44.442 0.586 17579 2707 1 5 . 1 1 24 24 GLY H H 59 8.205 8.205 7.872 0.333 17579 2708 1 5 . 1 1 25 25 VAL N N 60 119.573 119.573 122.051 -2.478 17579 2709 1 5 . 1 1 25 25 VAL HA H 60 4.117 4.117 3.752 0.365 17579 2710 1 5 . 1 1 25 25 VAL C C 60 176.366 176.366 176.993 -0.627 17579 2711 1 5 . 1 1 25 25 VAL CA C 60 67.542 67.542 65.675 1.867 17579 2712 1 5 . 1 1 25 25 VAL CB C 60 32.147 32.147 32.043 0.104 17579 2713 1 5 . 1 1 25 25 VAL H H 60 8.219 8.219 8.446 -0.227 17579 2714 1 5 . 1 1 26 26 LYS N N 61 117.987 117.987 118.900 -0.913 17579 2715 1 5 . 1 1 26 26 LYS HA H 61 3.896 3.896 4.036 -0.140 17579 2716 1 5 . 1 1 26 26 LYS C C 61 180.230 180.230 179.062 1.168 17579 2717 1 5 . 1 1 26 26 LYS CA C 61 60.492 60.492 59.471 1.021 17579 2718 1 5 . 1 1 26 26 LYS CB C 61 32.356 32.356 31.298 1.058 17579 2719 1 5 . 1 1 26 26 LYS H H 61 8.112 8.112 8.535 -0.423 17579 2720 1 5 . 1 1 27 27 GLU N N 62 117.610 117.610 119.178 -1.568 17579 2721 1 5 . 1 1 27 27 GLU HA H 62 3.937 3.937 4.098 -0.161 17579 2722 1 5 . 1 1 27 27 GLU C C 62 180.103 180.103 179.298 0.805 17579 2723 1 5 . 1 1 27 27 GLU CA C 62 59.119 59.119 59.153 -0.034 17579 2724 1 5 . 1 1 27 27 GLU CB C 62 30.052 30.052 29.111 0.941 17579 2725 1 5 . 1 1 27 27 GLU H H 62 8.493 8.493 7.752 0.742 17579 2726 1 5 . 1 1 28 28 VAL N N 63 120.585 120.585 120.959 -0.374 17579 2727 1 5 . 1 1 28 28 VAL HA H 63 3.478 3.478 3.941 -0.463 17579 2728 1 5 . 1 1 28 28 VAL C C 63 176.970 176.970 177.986 -1.016 17579 2729 1 5 . 1 1 28 28 VAL CA C 63 68.197 68.197 67.135 1.062 17579 2730 1 5 . 1 1 28 28 VAL CB C 63 31.632 31.632 31.741 -0.109 17579 2731 1 5 . 1 1 28 28 VAL H H 63 8.241 8.241 8.027 0.214 17579 2732 1 5 . 1 1 29 29 VAL N N 64 118.622 118.622 119.855 -1.233 17579 2733 1 5 . 1 1 29 29 VAL HA H 64 3.333 3.333 3.660 -0.327 17579 2734 1 5 . 1 1 29 29 VAL C C 64 177.709 177.709 178.045 -0.336 17579 2735 1 5 . 1 1 29 29 VAL CA C 64 67.751 67.751 66.291 1.460 17579 2736 1 5 . 1 1 29 29 VAL CB C 64 31.553 31.553 31.388 0.165 17579 2737 1 5 . 1 1 29 29 VAL H H 64 8.510 8.510 8.105 0.405 17579 2738 1 5 . 1 1 30 30 LYS N N 65 118.138 118.138 119.235 -1.097 17579 2739 1 5 . 1 1 30 30 LYS HA H 65 3.855 3.855 3.994 -0.139 17579 2740 1 5 . 1 1 30 30 LYS C C 65 178.693 178.693 178.667 0.026 17579 2741 1 5 . 1 1 30 30 LYS CA C 65 59.986 59.986 59.959 0.027 17579 2742 1 5 . 1 1 30 30 LYS CB C 65 32.800 32.800 32.241 0.559 17579 2743 1 5 . 1 1 30 30 LYS H H 65 7.533 7.533 8.166 -0.633 17579 2744 1 5 . 1 1 31 31 ALA N N 66 120.585 120.585 121.808 -1.223 17579 2745 1 5 . 1 1 31 31 ALA HA H 66 4.049 4.049 4.105 -0.056 17579 2746 1 5 . 1 1 31 31 ALA C C 66 179.745 179.745 178.980 0.765 17579 2747 1 5 . 1 1 31 31 ALA CA C 66 55.288 55.288 54.513 0.775 17579 2748 1 5 . 1 1 31 31 ALA CB C 66 19.207 19.207 18.236 0.971 17579 2749 1 5 . 1 1 31 31 ALA H H 66 7.489 7.489 7.970 -0.481 17579 2750 1 5 . 1 1 32 32 LEU N N 67 119.402 119.402 115.812 3.590 17579 2751 1 5 . 1 1 32 32 LEU HA H 67 3.976 3.976 4.209 -0.233 17579 2752 1 5 . 1 1 32 32 LEU C C 67 180.917 180.917 178.371 2.546 17579 2753 1 5 . 1 1 32 32 LEU CA C 67 58.115 58.115 56.933 1.182 17579 2754 1 5 . 1 1 32 32 LEU CB C 67 42.554 42.554 41.889 0.665 17579 2755 1 5 . 1 1 32 32 LEU H H 67 8.332 8.332 7.565 0.767 17579 2756 1 5 . 1 1 33 33 ARG N N 68 116.408 116.408 120.030 -3.622 17579 2757 1 5 . 1 1 33 33 ARG HA H 68 3.787 3.787 4.158 -0.371 17579 2758 1 5 . 1 1 33 33 ARG C C 68 178.472 178.472 177.886 0.586 17579 2759 1 5 . 1 1 33 33 ARG CA C 68 59.581 59.581 58.370 1.211 17579 2760 1 5 . 1 1 33 33 ARG CB C 68 29.946 29.946 30.502 -0.556 17579 2761 1 5 . 1 1 33 33 ARG H H 68 8.147 8.147 8.003 0.144 17579 2762 1 5 . 1 1 34 34 LYS N N 69 117.866 117.866 117.484 0.382 17579 2763 1 5 . 1 1 34 34 LYS HA H 69 4.232 4.232 4.211 0.021 17579 2764 1 5 . 1 1 34 34 LYS C C 69 177.005 177.005 176.939 0.066 17579 2765 1 5 . 1 1 34 34 LYS CA C 69 56.788 56.788 57.116 -0.328 17579 2766 1 5 . 1 1 34 34 LYS CB C 69 33.008 33.008 32.550 0.458 17579 2767 1 5 . 1 1 34 34 LYS H H 69 7.606 7.606 8.197 -0.591 17579 2768 1 5 . 1 1 35 35 GLY N N 70 106.799 106.799 104.355 2.444 17579 2769 1 5 . 1 1 35 35 GLY C C 70 175.547 175.547 174.497 1.050 17579 2770 1 5 . 1 1 35 35 GLY CA C 70 45.969 45.969 45.064 0.905 17579 2771 1 5 . 1 1 35 35 GLY H H 70 7.678 7.678 7.785 -0.107 17579 2772 1 5 . 1 1 36 36 GLU N N 71 119.492 119.492 122.524 -3.032 17579 2773 1 5 . 1 1 36 36 GLU HA H 71 4.199 4.199 4.377 -0.178 17579 2774 1 5 . 1 1 36 36 GLU C C 71 175.625 175.625 175.423 0.202 17579 2775 1 5 . 1 1 36 36 GLU CA C 71 57.696 57.696 55.413 2.283 17579 2776 1 5 . 1 1 36 36 GLU CB C 71 29.620 29.620 28.198 1.422 17579 2777 1 5 . 1 1 36 36 GLU H H 71 7.686 7.686 8.489 -0.803 17579 2778 1 5 . 1 1 37 37 LYS N N 72 118.433 118.433 121.301 -2.868 17579 2779 1 5 . 1 1 37 37 LYS HA H 72 4.863 4.863 4.524 0.339 17579 2780 1 5 . 1 1 37 37 LYS C C 72 175.983 175.983 176.310 -0.327 17579 2781 1 5 . 1 1 37 37 LYS CA C 72 54.299 54.299 54.303 -0.004 17579 2782 1 5 . 1 1 37 37 LYS CB C 72 35.140 35.140 33.995 1.145 17579 2783 1 5 . 1 1 37 37 LYS H H 72 8.202 8.202 7.639 0.563 17579 2784 1 5 . 1 1 38 38 GLY N N 73 104.719 104.719 107.652 -2.933 17579 2785 1 5 . 1 1 38 38 GLY C C 73 172.071 172.071 173.206 -1.135 17579 2786 1 5 . 1 1 38 38 GLY CA C 73 46.798 46.798 45.943 0.855 17579 2787 1 5 . 1 1 38 38 GLY H H 73 7.214 7.214 8.893 -1.679 17579 2788 1 5 . 1 1 39 39 LEU N N 74 125.471 125.471 122.997 2.474 17579 2789 1 5 . 1 1 39 39 LEU HA H 74 4.992 4.992 4.912 0.080 17579 2790 1 5 . 1 1 39 39 LEU C C 74 174.651 174.651 174.747 -0.096 17579 2791 1 5 . 1 1 39 39 LEU CA C 74 54.686 54.686 54.875 -0.189 17579 2792 1 5 . 1 1 39 39 LEU CB C 74 47.360 47.360 45.914 1.446 17579 2793 1 5 . 1 1 39 39 LEU H H 74 8.930 8.930 8.193 0.737 17579 2794 1 5 . 1 1 40 40 VAL N N 75 130.975 130.975 127.983 2.992 17579 2795 1 5 . 1 1 40 40 VAL HA H 75 4.649 4.649 3.988 0.661 17579 2796 1 5 . 1 1 40 40 VAL C C 75 173.868 173.868 175.104 -1.236 17579 2797 1 5 . 1 1 40 40 VAL CA C 75 62.513 62.513 60.970 1.543 17579 2798 1 5 . 1 1 40 40 VAL CB C 75 32.856 32.856 30.221 2.635 17579 2799 1 5 . 1 1 40 40 VAL H H 75 8.549 8.549 8.944 -0.395 17579 2800 1 5 . 1 1 41 41 VAL N N 76 127.452 127.452 130.806 -3.354 17579 2801 1 5 . 1 1 41 41 VAL HA H 76 4.645 4.645 4.731 -0.086 17579 2802 1 5 . 1 1 41 41 VAL C C 76 173.931 173.931 174.834 -0.903 17579 2803 1 5 . 1 1 41 41 VAL CA C 76 61.015 61.015 62.359 -1.345 17579 2804 1 5 . 1 1 41 41 VAL CB C 76 33.844 33.844 33.071 0.774 17579 2805 1 5 . 1 1 41 41 VAL H H 76 8.754 8.754 9.100 -0.346 17579 2806 1 5 . 1 1 42 42 ILE N N 77 126.301 126.301 128.076 -1.775 17579 2807 1 5 . 1 1 42 42 ILE HA H 77 4.455 4.455 5.232 -0.777 17579 2808 1 5 . 1 1 42 42 ILE C C 77 174.965 174.965 174.456 0.509 17579 2809 1 5 . 1 1 42 42 ILE CA C 77 59.842 59.842 57.686 2.156 17579 2810 1 5 . 1 1 42 42 ILE CB C 77 40.257 40.257 41.784 -1.527 17579 2811 1 5 . 1 1 42 42 ILE H H 77 8.530 8.530 8.755 -0.225 17579 2812 1 5 . 1 1 43 43 ALA N N 78 128.716 128.716 128.700 0.016 17579 2813 1 5 . 1 1 43 43 ALA HA H 78 4.469 4.469 4.943 -0.474 17579 2814 1 5 . 1 1 43 43 ALA C C 78 177.979 177.979 178.936 -0.957 17579 2815 1 5 . 1 1 43 43 ALA CA C 78 52.398 52.398 50.973 1.425 17579 2816 1 5 . 1 1 43 43 ALA CB C 78 19.600 19.600 19.244 0.356 17579 2817 1 5 . 1 1 43 43 ALA H H 78 8.538 8.538 8.404 0.134 17579 2818 1 5 . 1 1 44 44 GLY N N 79 104.343 104.343 111.146 -6.803 17579 2819 1 5 . 1 1 44 44 GLY C C 79 173.472 173.472 174.704 -1.232 17579 2820 1 5 . 1 1 44 44 GLY CA C 79 46.239 46.239 46.843 -0.604 17579 2821 1 5 . 1 1 44 44 GLY H H 79 9.090 9.090 8.959 0.131 17579 2822 1 5 . 1 1 45 45 ASP N N 80 118.154 118.154 118.539 -0.385 17579 2823 1 5 . 1 1 45 45 ASP HA H 80 4.855 4.855 4.659 0.196 17579 2824 1 5 . 1 1 45 45 ASP C C 80 176.500 176.500 175.668 0.832 17579 2825 1 5 . 1 1 45 45 ASP CA C 80 52.804 52.804 54.157 -1.353 17579 2826 1 5 . 1 1 45 45 ASP CB C 80 39.410 39.410 42.078 -2.668 17579 2827 1 5 . 1 1 45 45 ASP H H 80 8.603 8.603 8.485 0.118 17579 2828 1 5 . 1 1 46 46 ILE N N 81 118.477 118.477 121.874 -3.397 17579 2829 1 5 . 1 1 46 46 ILE HA H 81 4.073 4.073 4.345 -0.272 17579 2830 1 5 . 1 1 46 46 ILE C C 81 173.822 173.822 173.535 0.287 17579 2831 1 5 . 1 1 46 46 ILE CA C 81 59.882 59.882 60.880 -0.998 17579 2832 1 5 . 1 1 46 46 ILE CB C 81 39.136 39.136 40.100 -0.964 17579 2833 1 5 . 1 1 46 46 ILE H H 81 6.846 6.846 7.540 -0.694 17579 2834 1 5 . 1 1 47 47 SER N N 82 117.552 117.552 120.992 -3.440 17579 2835 1 5 . 1 1 47 47 SER HA H 82 4.628 4.628 4.676 -0.048 17579 2836 1 5 . 1 1 47 47 SER C C 82 176.920 176.920 172.184 4.736 17579 2837 1 5 . 1 1 47 47 SER CA C 82 55.444 55.444 56.179 -0.735 17579 2838 1 5 . 1 1 47 47 SER CB C 82 65.268 65.268 65.045 0.223 17579 2839 1 5 . 1 1 47 47 SER H H 82 7.774 7.774 8.196 -0.422 17579 2840 1 5 . 1 1 48 48 PRO HA H 83 4.259 4.259 4.596 -0.337 17579 2841 1 5 . 1 1 48 48 PRO CA C 83 62.312 62.312 62.596 -0.284 17579 2842 1 5 . 1 1 48 48 PRO CB C 83 30.564 30.564 32.184 -1.620 17579 2843 1 5 . 1 1 49 49 ALA N N 84 122.207 122.207 120.117 2.090 17579 2844 1 5 . 1 1 49 49 ALA HA H 84 3.978 3.978 4.241 -0.263 17579 2845 1 5 . 1 1 49 49 ALA C C 84 178.699 178.699 177.881 0.818 17579 2846 1 5 . 1 1 49 49 ALA CA C 84 54.704 54.704 53.156 1.548 17579 2847 1 5 . 1 1 49 49 ALA CB C 84 19.393 19.393 18.581 0.812 17579 2848 1 5 . 1 1 49 49 ALA H H 84 8.091 8.091 8.338 -0.247 17579 2849 1 5 . 1 1 50 50 ASP N N 85 113.440 113.440 119.018 -5.578 17579 2850 1 5 . 1 1 50 50 ASP HA H 85 4.338 4.338 4.348 -0.010 17579 2851 1 5 . 1 1 50 50 ASP C C 85 177.723 177.723 177.946 -0.223 17579 2852 1 5 . 1 1 50 50 ASP CA C 85 56.203 56.203 56.079 0.124 17579 2853 1 5 . 1 1 50 50 ASP CB C 85 40.562 40.562 41.045 -0.483 17579 2854 1 5 . 1 1 50 50 ASP H H 85 8.148 8.148 8.209 -0.061 17579 2855 1 5 . 1 1 51 51 VAL N N 86 116.604 116.604 115.823 0.781 17579 2856 1 5 . 1 1 51 51 VAL HA H 86 3.925 3.925 3.730 0.195 17579 2857 1 5 . 1 1 51 51 VAL C C 86 176.966 176.966 177.330 -0.364 17579 2858 1 5 . 1 1 51 51 VAL CA C 86 65.241 65.241 65.501 -0.260 17579 2859 1 5 . 1 1 51 51 VAL CB C 86 32.467 32.467 31.690 0.777 17579 2860 1 5 . 1 1 51 51 VAL H H 86 7.538 7.538 7.867 -0.329 17579 2861 1 5 . 1 1 52 52 ILE N N 87 108.211 108.211 113.789 -5.578 17579 2862 1 5 . 1 1 52 52 ILE HA H 87 4.565 4.565 3.993 0.572 17579 2863 1 5 . 1 1 52 52 ILE C C 87 178.116 178.116 176.460 1.656 17579 2864 1 5 . 1 1 52 52 ILE CA C 87 60.165 60.165 63.053 -2.888 17579 2865 1 5 . 1 1 52 52 ILE CB C 87 41.048 41.048 37.603 3.445 17579 2866 1 5 . 1 1 52 52 ILE H H 87 7.283 7.283 7.838 -0.555 17579 2867 1 5 . 1 1 53 53 SER N N 88 116.088 116.088 114.969 1.119 17579 2868 1 5 . 1 1 53 53 SER HA H 88 4.538 4.538 4.471 0.067 17579 2869 1 5 . 1 1 53 53 SER CA C 88 61.852 61.852 58.960 2.892 17579 2870 1 5 . 1 1 53 53 SER CB C 88 62.604 62.604 64.193 -1.589 17579 2871 1 5 . 1 1 53 53 SER H H 88 7.845 7.845 8.017 -0.172 17579 2872 1 5 . 1 1 54 54 HIS N N 89 121.004 121.004 120.168 0.836 17579 2873 1 5 . 1 1 54 54 HIS HA H 89 4.590 4.590 4.658 -0.068 17579 2874 1 5 . 1 1 54 54 HIS C C 89 176.530 176.530 176.775 -0.245 17579 2875 1 5 . 1 1 54 54 HIS CA C 89 56.554 56.554 57.457 -0.903 17579 2876 1 5 . 1 1 54 54 HIS CB C 89 33.261 33.261 31.334 1.927 17579 2877 1 5 . 1 1 54 54 HIS H H 89 8.450 8.450 8.086 0.364 17579 2878 1 5 . 1 1 55 55 ILE N N 90 123.909 123.909 122.243 1.666 17579 2879 1 5 . 1 1 55 55 ILE HA H 90 4.583 4.583 3.576 1.007 17579 2880 1 5 . 1 1 55 55 ILE CA C 90 62.230 62.230 67.861 -5.631 17579 2881 1 5 . 1 1 55 55 ILE CB C 90 42.418 42.418 35.817 6.601 17579 2882 1 5 . 1 1 55 55 ILE H H 90 8.142 8.142 8.412 -0.270 17579 2883 1 5 . 1 1 56 56 PRO HA H 91 2.974 2.974 4.288 -1.314 17579 2884 1 5 . 1 1 56 56 PRO C C 91 177.132 177.132 178.792 -1.660 17579 2885 1 5 . 1 1 56 56 PRO CA C 91 66.917 66.917 65.908 1.009 17579 2886 1 5 . 1 1 56 56 PRO CB C 91 31.519 31.519 31.089 0.430 17579 2887 1 5 . 1 1 57 57 VAL N N 92 114.761 114.761 119.565 -4.804 17579 2888 1 5 . 1 1 57 57 VAL HA H 92 3.570 3.570 3.694 -0.124 17579 2889 1 5 . 1 1 57 57 VAL C C 92 177.995 177.995 177.934 0.061 17579 2890 1 5 . 1 1 57 57 VAL CA C 92 66.358 66.358 66.231 0.127 17579 2891 1 5 . 1 1 57 57 VAL CB C 92 31.694 31.694 31.778 -0.084 17579 2892 1 5 . 1 1 57 57 VAL H H 92 6.505 6.505 7.339 -0.834 17579 2893 1 5 . 1 1 58 58 LEU N N 93 120.572 120.572 117.863 2.709 17579 2894 1 5 . 1 1 58 58 LEU HA H 93 4.200 4.200 4.123 0.077 17579 2895 1 5 . 1 1 58 58 LEU C C 93 180.452 180.452 178.479 1.973 17579 2896 1 5 . 1 1 58 58 LEU CA C 93 57.938 57.938 58.126 -0.188 17579 2897 1 5 . 1 1 58 58 LEU CB C 93 43.394 43.394 41.398 1.996 17579 2898 1 5 . 1 1 58 58 LEU H H 93 7.432 7.432 8.476 -1.044 17579 2899 1 5 . 1 1 59 59 CYS N N 94 117.330 117.330 119.120 -1.790 17579 2900 1 5 . 1 1 59 59 CYS HA H 94 3.827 3.827 4.160 -0.333 17579 2901 1 5 . 1 1 59 59 CYS C C 94 177.986 177.986 176.172 1.814 17579 2902 1 5 . 1 1 59 59 CYS CA C 94 65.483 65.483 63.119 2.364 17579 2903 1 5 . 1 1 59 59 CYS CB C 94 26.552 26.552 27.368 -0.816 17579 2904 1 5 . 1 1 59 59 CYS H H 94 8.423 8.423 8.173 0.250 17579 2905 1 5 . 1 1 60 60 GLU N N 95 120.766 120.766 118.780 1.986 17579 2906 1 5 . 1 1 60 60 GLU HA H 95 3.512 3.512 4.145 -0.633 17579 2907 1 5 . 1 1 60 60 GLU C C 95 180.736 180.736 177.650 3.086 17579 2908 1 5 . 1 1 60 60 GLU CA C 95 59.909 59.909 58.344 1.565 17579 2909 1 5 . 1 1 60 60 GLU CB C 95 29.108 29.108 29.558 -0.450 17579 2910 1 5 . 1 1 60 60 GLU H H 95 8.237 8.237 7.850 0.387 17579 2911 1 5 . 1 1 61 61 ASP N N 96 120.591 120.591 118.462 2.129 17579 2912 1 5 . 1 1 61 61 ASP HA H 96 4.311 4.311 4.466 -0.155 17579 2913 1 5 . 1 1 61 61 ASP C C 96 178.004 178.004 177.408 0.596 17579 2914 1 5 . 1 1 61 61 ASP CA C 96 57.549 57.549 55.962 1.587 17579 2915 1 5 . 1 1 61 61 ASP CB C 96 41.083 41.083 41.323 -0.240 17579 2916 1 5 . 1 1 61 61 ASP H H 96 8.345 8.345 7.854 0.491 17579 2917 1 5 . 1 1 62 62 HIS N N 97 115.844 115.844 115.303 0.541 17579 2918 1 5 . 1 1 62 62 HIS HA H 97 4.575 4.575 4.787 -0.212 17579 2919 1 5 . 1 1 62 62 HIS C C 97 173.728 173.728 174.231 -0.503 17579 2920 1 5 . 1 1 62 62 HIS CA C 97 57.418 57.418 55.895 1.523 17579 2921 1 5 . 1 1 62 62 HIS CB C 97 30.067 30.067 32.842 -2.775 17579 2922 1 5 . 1 1 62 62 HIS H H 97 7.663 7.663 7.767 -0.104 17579 2923 1 5 . 1 1 63 63 SER N N 98 114.813 114.813 114.580 0.233 17579 2924 1 5 . 1 1 63 63 SER HA H 98 4.097 4.097 4.172 -0.075 17579 2925 1 5 . 1 1 63 63 SER C C 98 173.789 173.789 173.225 0.564 17579 2926 1 5 . 1 1 63 63 SER CA C 98 59.255 59.255 59.227 0.028 17579 2927 1 5 . 1 1 63 63 SER CB C 98 61.602 61.602 62.038 -0.436 17579 2928 1 5 . 1 1 63 63 SER H H 98 7.861 7.861 8.233 -0.372 17579 2929 1 5 . 1 1 64 64 VAL N N 99 123.227 123.227 122.840 0.387 17579 2930 1 5 . 1 1 64 64 VAL HA H 99 4.157 4.157 4.492 -0.335 17579 2931 1 5 . 1 1 64 64 VAL C C 99 174.345 174.345 174.532 -0.187 17579 2932 1 5 . 1 1 64 64 VAL CA C 99 58.923 58.923 59.105 -0.182 17579 2933 1 5 . 1 1 64 64 VAL CB C 99 35.133 35.133 35.135 -0.002 17579 2934 1 5 . 1 1 64 64 VAL H H 99 8.603 8.603 8.032 0.571 17579 2935 1 5 . 1 1 65 65 PRO HA H 100 4.260 4.260 4.516 -0.256 17579 2936 1 5 . 1 1 65 65 PRO C C 100 173.335 173.335 175.166 -1.831 17579 2937 1 5 . 1 1 65 65 PRO CA C 100 63.165 63.165 63.032 0.133 17579 2938 1 5 . 1 1 65 65 PRO CB C 100 32.083 32.083 29.895 2.188 17579 2939 1 5 . 1 1 66 66 TYR N N 101 114.840 114.840 125.311 -10.471 17579 2940 1 5 . 1 1 66 66 TYR HA H 101 5.900 5.900 4.831 1.069 17579 2941 1 5 . 1 1 66 66 TYR C C 101 170.503 170.503 173.242 -2.739 17579 2942 1 5 . 1 1 66 66 TYR CA C 101 53.986 53.986 56.167 -2.181 17579 2943 1 5 . 1 1 66 66 TYR CB C 101 41.998 41.998 40.733 1.265 17579 2944 1 5 . 1 1 66 66 TYR H H 101 6.219 6.219 8.016 -1.797 17579 2945 1 5 . 1 1 67 67 ILE N N 102 112.118 112.118 124.292 -12.174 17579 2946 1 5 . 1 1 67 67 ILE HA H 102 4.488 4.488 4.011 0.477 17579 2947 1 5 . 1 1 67 67 ILE C C 102 171.963 171.963 173.142 -1.179 17579 2948 1 5 . 1 1 67 67 ILE CA C 102 55.343 55.343 58.649 -3.306 17579 2949 1 5 . 1 1 67 67 ILE CB C 102 43.317 43.317 42.060 1.257 17579 2950 1 5 . 1 1 67 67 ILE H H 102 7.954 7.954 8.463 -0.509 17579 2951 1 5 . 1 1 68 68 PHE N N 103 122.272 122.272 123.113 -0.841 17579 2952 1 5 . 1 1 68 68 PHE HA H 103 5.945 5.945 5.430 0.515 17579 2953 1 5 . 1 1 68 68 PHE C C 103 176.374 176.374 174.285 2.089 17579 2954 1 5 . 1 1 68 68 PHE CA C 103 56.520 56.520 55.149 1.371 17579 2955 1 5 . 1 1 68 68 PHE CB C 103 40.518 40.518 41.404 -0.886 17579 2956 1 5 . 1 1 68 68 PHE H H 103 8.087 8.087 7.466 0.621 17579 2957 1 5 . 1 1 69 69 ILE N N 104 114.672 114.672 115.925 -1.253 17579 2958 1 5 . 1 1 69 69 ILE HA H 104 2.991 2.991 4.728 -1.737 17579 2959 1 5 . 1 1 69 69 ILE C C 104 175.387 175.387 173.956 1.431 17579 2960 1 5 . 1 1 69 69 ILE CA C 104 57.903 57.903 58.240 -0.337 17579 2961 1 5 . 1 1 69 69 ILE CB C 104 38.207 38.207 39.975 -1.768 17579 2962 1 5 . 1 1 69 69 ILE H H 104 8.847 8.847 9.133 -0.286 17579 2963 1 5 . 1 1 70 70 PRO HA H 105 3.918 3.918 4.631 -0.713 17579 2964 1 5 . 1 1 70 70 PRO C C 105 177.442 177.442 176.100 1.342 17579 2965 1 5 . 1 1 70 70 PRO CA C 105 64.823 64.823 63.078 1.745 17579 2966 1 5 . 1 1 70 70 PRO CB C 105 35.906 35.906 30.257 5.649 17579 2967 1 5 . 1 1 71 71 SER N N 106 113.113 113.113 117.771 -4.658 17579 2968 1 5 . 1 1 71 71 SER HA H 106 4.261 4.261 4.596 -0.335 17579 2969 1 5 . 1 1 71 71 SER C C 106 175.111 175.111 174.479 0.632 17579 2970 1 5 . 1 1 71 71 SER CA C 106 60.111 60.111 58.060 2.051 17579 2971 1 5 . 1 1 71 71 SER CB C 106 63.687 63.687 65.100 -1.413 17579 2972 1 5 . 1 1 71 71 SER H H 106 7.904 7.904 7.986 -0.082 17579 2973 1 5 . 1 1 72 72 LYS N N 107 119.830 119.830 125.291 -5.461 17579 2974 1 5 . 1 1 72 72 LYS HA H 107 4.187 4.187 3.879 0.308 17579 2975 1 5 . 1 1 72 72 LYS CA C 107 58.783 58.783 60.019 -1.236 17579 2976 1 5 . 1 1 72 72 LYS CB C 107 30.951 30.951 32.469 -1.518 17579 2977 1 5 . 1 1 72 72 LYS H H 107 8.314 8.314 8.779 -0.465 17579 2978 1 5 . 1 1 73 73 GLN N N 108 123.860 123.860 117.181 6.679 17579 2979 1 5 . 1 1 73 73 GLN HA H 108 4.001 4.001 4.040 -0.039 17579 2980 1 5 . 1 1 73 73 GLN CA C 108 58.831 58.831 59.039 -0.208 17579 2981 1 5 . 1 1 73 73 GLN CB C 108 28.451 28.451 27.848 0.603 17579 2982 1 5 . 1 1 73 73 GLN H H 108 8.510 8.510 8.688 -0.178 17579 2983 1 5 . 1 1 74 74 ASP N N 109 121.145 121.145 120.606 0.539 17579 2984 1 5 . 1 1 74 74 ASP HA H 109 4.389 4.389 4.450 -0.061 17579 2985 1 5 . 1 1 74 74 ASP C C 109 178.552 178.552 178.617 -0.065 17579 2986 1 5 . 1 1 74 74 ASP H H 109 7.966 7.966 7.771 0.195 17579 2987 1 5 . 1 1 75 75 LEU N N 110 121.098 121.098 120.990 0.108 17579 2988 1 5 . 1 1 75 75 LEU HA H 110 3.955 3.955 3.997 -0.042 17579 2989 1 5 . 1 1 75 75 LEU C C 110 178.953 178.953 179.665 -0.712 17579 2990 1 5 . 1 1 75 75 LEU CA C 110 56.538 56.538 58.257 -1.719 17579 2991 1 5 . 1 1 75 75 LEU CB C 110 40.845 40.845 40.955 -0.110 17579 2992 1 5 . 1 1 75 75 LEU H H 110 7.932 7.932 8.581 -0.649 17579 2993 1 5 . 1 1 76 76 GLY N N 111 105.659 105.659 105.296 0.363 17579 2994 1 5 . 1 1 76 76 GLY C C 111 175.510 175.510 175.025 0.485 17579 2995 1 5 . 1 1 76 76 GLY CA C 111 47.037 47.037 46.190 0.847 17579 2996 1 5 . 1 1 76 76 GLY H H 111 8.006 8.006 8.320 -0.314 17579 2997 1 5 . 1 1 77 77 ALA N N 112 122.987 122.987 123.359 -0.372 17579 2998 1 5 . 1 1 77 77 ALA HA H 112 4.112 4.112 4.055 0.057 17579 2999 1 5 . 1 1 77 77 ALA C C 112 179.350 179.350 178.835 0.515 17579 3000 1 5 . 1 1 77 77 ALA CA C 112 53.930 53.930 54.454 -0.524 17579 3001 1 5 . 1 1 77 77 ALA CB C 112 18.727 18.727 18.739 -0.012 17579 3002 1 5 . 1 1 77 77 ALA H H 112 7.824 7.824 7.842 -0.018 17579 3003 1 5 . 1 1 78 78 ALA N N 113 121.466 121.466 119.696 1.770 17579 3004 1 5 . 1 1 78 78 ALA HA H 113 4.189 4.189 4.324 -0.135 17579 3005 1 5 . 1 1 78 78 ALA C C 113 177.368 177.368 179.363 -1.995 17579 3006 1 5 . 1 1 78 78 ALA CA C 113 53.750 53.750 53.641 0.110 17579 3007 1 5 . 1 1 78 78 ALA CB C 113 19.231 19.231 19.274 -0.043 17579 3008 1 5 . 1 1 78 78 ALA H H 113 7.785 7.785 7.862 -0.077 17579 3009 1 5 . 1 1 79 79 GLY N N 114 104.016 104.016 106.055 -2.039 17579 3010 1 5 . 1 1 79 79 GLY CA C 114 45.256 45.256 45.906 -0.650 17579 3011 1 5 . 1 1 79 79 GLY H H 114 7.742 7.742 8.237 -0.495 17579 3012 1 5 . 1 1 80 80 ALA HA H 115 4.100 4.100 4.433 -0.333 17579 3013 1 5 . 1 1 80 80 ALA C C 115 176.526 176.526 177.284 -0.758 17579 3014 1 5 . 1 1 80 80 ALA CA C 115 53.482 53.482 52.352 1.130 17579 3015 1 5 . 1 1 80 80 ALA CB C 115 19.825 19.825 19.543 0.282 17579 3016 1 5 . 1 1 81 81 THR N N 116 116.236 116.236 117.838 -1.602 17579 3017 1 5 . 1 1 81 81 THR HA H 116 4.718 4.718 3.989 0.729 17579 3018 1 5 . 1 1 81 81 THR CA C 116 57.275 57.275 65.034 -7.759 17579 3019 1 5 . 1 1 81 81 THR CB C 116 64.878 64.878 68.823 -3.945 17579 3020 1 5 . 1 1 81 81 THR H H 116 8.068 8.068 8.521 -0.453 17579 3021 1 5 . 1 1 84 84 PRO HA H 119 4.072 4.072 4.462 -0.390 17579 3022 1 5 . 1 1 84 84 PRO CB C 119 32.154 32.154 32.187 -0.033 17579 3023 1 5 . 1 1 85 85 THR N N 120 119.680 119.680 119.158 0.522 17579 3024 1 5 . 1 1 85 85 THR C C 120 175.333 175.333 174.731 0.602 17579 3025 1 5 . 1 1 85 85 THR CB C 120 71.769 71.769 70.939 0.830 17579 3026 1 5 . 1 1 85 85 THR H H 120 8.002 8.002 8.266 -0.264 17579 3027 1 5 . 1 1 86 86 SER N N 121 115.589 115.589 119.579 -3.990 17579 3028 1 5 . 1 1 86 86 SER HA H 121 4.325 4.325 4.318 0.007 17579 3029 1 5 . 1 1 86 86 SER C C 121 172.929 172.929 174.291 -1.362 17579 3030 1 5 . 1 1 86 86 SER CA C 121 59.722 59.722 59.923 -0.201 17579 3031 1 5 . 1 1 86 86 SER CB C 121 64.608 64.608 63.484 1.124 17579 3032 1 5 . 1 1 86 86 SER H H 121 7.335 7.335 8.692 -1.357 17579 3033 1 5 . 1 1 87 87 VAL N N 122 116.044 116.044 115.629 0.415 17579 3034 1 5 . 1 1 87 87 VAL HA H 122 5.200 5.200 5.075 0.125 17579 3035 1 5 . 1 1 87 87 VAL C C 122 172.465 172.465 174.400 -1.935 17579 3036 1 5 . 1 1 87 87 VAL CA C 122 59.819 59.819 60.871 -1.052 17579 3037 1 5 . 1 1 87 87 VAL CB C 122 33.368 33.368 34.205 -0.837 17579 3038 1 5 . 1 1 87 87 VAL H H 122 7.152 7.152 7.396 -0.244 17579 3039 1 5 . 1 1 88 88 VAL N N 123 119.350 119.350 123.623 -4.273 17579 3040 1 5 . 1 1 88 88 VAL HA H 123 5.091 5.091 4.505 0.586 17579 3041 1 5 . 1 1 88 88 VAL C C 123 173.214 173.214 173.730 -0.516 17579 3042 1 5 . 1 1 88 88 VAL CA C 123 59.219 59.219 61.467 -2.248 17579 3043 1 5 . 1 1 88 88 VAL CB C 123 36.362 36.362 36.154 0.208 17579 3044 1 5 . 1 1 88 88 VAL H H 123 8.851 8.851 8.793 0.058 17579 3045 1 5 . 1 1 89 89 PHE N N 124 122.568 122.568 127.734 -5.166 17579 3046 1 5 . 1 1 89 89 PHE HA H 124 5.613 5.613 5.263 0.350 17579 3047 1 5 . 1 1 89 89 PHE C C 124 174.887 174.887 175.167 -0.280 17579 3048 1 5 . 1 1 89 89 PHE CA C 124 52.961 52.961 55.886 -2.925 17579 3049 1 5 . 1 1 89 89 PHE CB C 124 42.788 42.788 41.071 1.717 17579 3050 1 5 . 1 1 89 89 PHE H H 124 9.051 9.051 9.249 -0.198 17579 3051 1 5 . 1 1 90 90 ILE N N 125 127.707 127.707 127.825 -0.118 17579 3052 1 5 . 1 1 90 90 ILE HA H 125 4.264 4.264 4.297 -0.033 17579 3053 1 5 . 1 1 90 90 ILE C C 125 173.870 173.870 175.507 -1.637 17579 3054 1 5 . 1 1 90 90 ILE CA C 125 61.789 61.789 60.016 1.773 17579 3055 1 5 . 1 1 90 90 ILE CB C 125 39.785 39.785 38.033 1.752 17579 3056 1 5 . 1 1 90 90 ILE H H 125 9.477 9.477 9.267 0.210 17579 3057 1 5 . 1 1 91 91 VAL N N 126 126.579 126.579 119.299 7.280 17579 3058 1 5 . 1 1 91 91 VAL HA H 126 4.566 4.566 4.958 -0.392 17579 3059 1 5 . 1 1 91 91 VAL C C 126 173.829 173.829 174.053 -0.224 17579 3060 1 5 . 1 1 91 91 VAL CA C 126 58.701 58.701 58.654 0.047 17579 3061 1 5 . 1 1 91 91 VAL CB C 126 32.989 32.989 33.648 -0.659 17579 3062 1 5 . 1 1 91 91 VAL H H 126 8.149 8.149 8.629 -0.480 17579 3063 1 5 . 1 1 92 92 PRO HA H 127 4.035 4.035 4.540 -0.505 17579 3064 1 5 . 1 1 92 92 PRO C C 127 177.766 177.766 177.470 0.296 17579 3065 1 5 . 1 1 92 92 PRO CA C 127 63.684 63.684 63.724 -0.040 17579 3066 1 5 . 1 1 92 92 PRO CB C 127 32.178 32.178 32.206 -0.028 17579 3067 1 5 . 1 1 93 93 GLY N N 128 108.618 108.618 107.918 0.700 17579 3068 1 5 . 1 1 93 93 GLY CA C 128 45.787 45.787 44.900 0.887 17579 3069 1 5 . 1 1 93 93 GLY H H 128 7.970 7.970 8.543 -0.573 17579 3070 1 5 . 1 1 94 94 SER N N 129 113.620 113.620 113.987 -0.367 17579 3071 1 5 . 1 1 94 94 SER HA H 129 4.317 4.317 4.744 -0.427 17579 3072 1 5 . 1 1 94 94 SER C C 129 180.379 180.379 173.819 6.560 17579 3073 1 5 . 1 1 94 94 SER CA C 129 58.566 58.566 56.809 1.757 17579 3074 1 5 . 1 1 94 94 SER H H 129 7.952 7.952 7.815 0.137 17579 3075 1 5 . 1 1 95 95 ASN N N 130 120.775 120.775 120.963 -0.188 17579 3076 1 5 . 1 1 95 95 ASN HA H 130 3.964 3.964 4.500 -0.536 17579 3077 1 5 . 1 1 95 95 ASN C C 130 178.664 178.664 177.310 1.354 17579 3078 1 5 . 1 1 95 95 ASN CA C 130 57.689 57.689 55.304 2.385 17579 3079 1 5 . 1 1 95 95 ASN CB C 130 42.288 42.288 38.418 3.870 17579 3080 1 5 . 1 1 95 95 ASN H H 130 8.300 8.300 8.942 -0.642 17579 3081 1 5 . 1 1 96 96 LYS N N 131 119.316 119.316 119.959 -0.643 17579 3082 1 5 . 1 1 96 96 LYS HA H 131 4.095 4.095 4.202 -0.107 17579 3083 1 5 . 1 1 96 96 LYS C C 131 178.290 178.290 177.190 1.100 17579 3084 1 5 . 1 1 96 96 LYS CA C 131 59.062 59.062 58.527 0.535 17579 3085 1 5 . 1 1 96 96 LYS CB C 131 29.745 29.745 32.233 -2.488 17579 3086 1 5 . 1 1 96 96 LYS H H 131 7.896 7.896 8.346 -0.450 17579 3087 1 5 . 1 1 97 97 LYS N N 132 117.523 117.523 116.331 1.192 17579 3088 1 5 . 1 1 97 97 LYS C C 132 176.927 176.927 176.905 0.022 17579 3089 1 5 . 1 1 97 97 LYS CA C 132 58.555 58.555 56.981 1.574 17579 3090 1 5 . 1 1 97 97 LYS CB C 132 30.578 30.578 31.898 -1.321 17579 3091 1 5 . 1 1 97 97 LYS H H 132 7.791 7.791 7.298 0.493 17579 3092 1 5 . 1 1 98 98 LYS HA H 133 4.236 4.236 4.325 -0.089 17579 3093 1 5 . 1 1 98 98 LYS C C 133 176.606 176.606 176.901 -0.295 17579 3094 1 5 . 1 1 98 98 LYS CA C 133 57.225 57.225 56.947 0.278 17579 3095 1 5 . 1 1 98 98 LYS CB C 133 33.151 33.151 32.883 0.268 17579 3096 1 5 . 1 1 99 99 ASP N N 134 120.311 120.311 119.034 1.277 17579 3097 1 5 . 1 1 99 99 ASP HA H 134 4.584 4.584 4.671 -0.087 17579 3098 1 5 . 1 1 99 99 ASP C C 134 176.899 176.899 176.776 0.123 17579 3099 1 5 . 1 1 99 99 ASP CA C 134 54.402 54.402 54.490 -0.088 17579 3100 1 5 . 1 1 99 99 ASP CB C 134 41.568 41.568 41.881 -0.313 17579 3101 1 5 . 1 1 99 99 ASP H H 134 8.267 8.267 7.567 0.700 17579 3102 1 5 . 1 1 100 100 GLY N N 135 108.751 108.751 108.541 0.210 17579 3103 1 5 . 1 1 100 100 GLY C C 135 174.683 174.683 172.846 1.837 17579 3104 1 5 . 1 1 100 100 GLY CA C 135 45.985 45.985 45.100 0.885 17579 3105 1 5 . 1 1 100 100 GLY H H 135 8.235 8.235 7.499 0.736 17579 3106 1 5 . 1 1 101 101 LYS N N 136 120.306 120.306 121.034 -0.728 17579 3107 1 5 . 1 1 101 101 LYS HA H 136 4.279 4.279 4.404 -0.125 17579 3108 1 5 . 1 1 101 101 LYS C C 136 175.145 175.145 175.055 0.090 17579 3109 1 5 . 1 1 101 101 LYS CA C 136 56.875 56.875 55.971 0.904 17579 3110 1 5 . 1 1 101 101 LYS CB C 136 32.987 32.987 32.102 0.885 17579 3111 1 5 . 1 1 101 101 LYS H H 136 8.148 8.148 8.014 0.134 17579 3112 1 5 . 1 1 102 102 ASN N N 137 118.958 118.958 120.060 -1.102 17579 3113 1 5 . 1 1 102 102 ASN HA H 137 4.707 4.707 4.671 0.036 17579 3114 1 5 . 1 1 102 102 ASN C C 137 175.849 175.849 175.026 0.823 17579 3115 1 5 . 1 1 102 102 ASN CA C 137 53.816 53.816 53.928 -0.112 17579 3116 1 5 . 1 1 102 102 ASN CB C 137 39.070 39.070 39.621 -0.551 17579 3117 1 5 . 1 1 102 102 ASN H H 137 8.406 8.406 8.497 -0.091 17579 3118 1 5 . 1 1 103 103 LYS N N 138 121.782 121.782 119.825 1.957 17579 3119 1 5 . 1 1 103 103 LYS HA H 138 4.255 4.255 4.157 0.098 17579 3120 1 5 . 1 1 103 103 LYS CA C 138 56.641 56.641 57.047 -0.406 17579 3121 1 5 . 1 1 103 103 LYS CB C 138 32.911 32.911 32.617 0.294 17579 3122 1 5 . 1 1 103 103 LYS H H 138 8.316 8.316 7.965 0.351 17579 3123 1 5 . 1 1 104 104 GLU N N 139 121.053 121.053 119.510 1.543 17579 3124 1 5 . 1 1 104 104 GLU CA C 139 57.449 57.449 59.552 -2.103 17579 3125 1 5 . 1 1 104 104 GLU CB C 139 29.983 29.983 28.783 1.200 17579 3126 1 5 . 1 1 104 104 GLU H H 139 8.459 8.459 8.731 -0.272 17579 3127 1 5 . 1 1 106 106 GLU N N 141 122.191 122.191 119.672 2.519 17579 3128 1 5 . 1 1 106 106 GLU HA H 141 4.268 4.268 4.130 0.138 17579 3129 1 5 . 1 1 106 106 GLU CA C 141 64.025 64.025 59.095 4.930 17579 3130 1 5 . 1 1 106 106 GLU CB C 141 32.117 32.117 29.266 2.851 17579 3131 1 5 . 1 1 106 106 GLU H H 141 8.291 8.291 8.392 -0.101 17579 3132 1 5 . 1 1 107 107 TYR N N 142 115.802 115.802 118.957 -3.155 17579 3133 1 5 . 1 1 107 107 TYR HA H 142 4.996 4.996 4.164 0.832 17579 3134 1 5 . 1 1 107 107 TYR C C 142 175.381 175.381 178.249 -2.868 17579 3135 1 5 . 1 1 107 107 TYR CA C 142 57.581 57.581 60.192 -2.611 17579 3136 1 5 . 1 1 107 107 TYR CB C 142 39.533 39.533 37.787 1.746 17579 3137 1 5 . 1 1 107 107 TYR H H 142 7.344 7.344 8.482 -1.139 17579 3138 1 5 . 1 1 108 108 LYS N N 143 123.473 123.473 119.525 3.948 17579 3139 1 5 . 1 1 108 108 LYS HA H 143 3.628 3.628 4.043 -0.415 17579 3140 1 5 . 1 1 108 108 LYS C C 143 177.659 177.659 178.824 -1.165 17579 3141 1 5 . 1 1 108 108 LYS CA C 143 59.988 59.988 59.885 0.103 17579 3142 1 5 . 1 1 108 108 LYS CB C 143 32.294 32.294 32.331 -0.037 17579 3143 1 5 . 1 1 108 108 LYS H H 143 7.376 7.376 8.390 -1.014 17579 3144 1 5 . 1 1 109 109 GLU N N 144 118.799 118.799 119.589 -0.790 17579 3145 1 5 . 1 1 109 109 GLU HA H 144 4.048 4.048 4.071 -0.023 17579 3146 1 5 . 1 1 109 109 GLU C C 144 179.583 179.583 179.245 0.338 17579 3147 1 5 . 1 1 109 109 GLU CA C 144 60.200 60.200 59.268 0.932 17579 3148 1 5 . 1 1 109 109 GLU CB C 144 29.237 29.237 29.206 0.031 17579 3149 1 5 . 1 1 109 109 GLU H H 144 8.558 8.558 8.098 0.460 17579 3150 1 5 . 1 1 110 110 SER N N 145 116.121 116.121 115.716 0.405 17579 3151 1 5 . 1 1 110 110 SER HA H 145 4.319 4.319 4.172 0.147 17579 3152 1 5 . 1 1 110 110 SER C C 145 176.522 176.522 176.772 -0.250 17579 3153 1 5 . 1 1 110 110 SER CA C 145 61.990 61.990 62.515 -0.525 17579 3154 1 5 . 1 1 110 110 SER CB C 145 63.293 63.293 63.192 0.101 17579 3155 1 5 . 1 1 110 110 SER H H 145 8.094 8.094 8.159 -0.065 17579 3156 1 5 . 1 1 111 111 PHE N N 146 122.311 122.311 122.403 -0.092 17579 3157 1 5 . 1 1 111 111 PHE HA H 146 4.021 4.021 4.184 -0.163 17579 3158 1 5 . 1 1 111 111 PHE C C 146 176.001 176.001 176.930 -0.929 17579 3159 1 5 . 1 1 111 111 PHE CA C 146 62.504 62.504 60.374 2.130 17579 3160 1 5 . 1 1 111 111 PHE CB C 146 39.861 39.861 38.809 1.052 17579 3161 1 5 . 1 1 111 111 PHE H H 146 8.536 8.536 8.445 0.091 17579 3162 1 5 . 1 1 112 112 ASN N N 147 117.908 117.908 117.520 0.388 17579 3163 1 5 . 1 1 112 112 ASN HA H 147 4.252 4.252 4.184 0.068 17579 3164 1 5 . 1 1 112 112 ASN C C 147 178.315 178.315 177.440 0.875 17579 3165 1 5 . 1 1 112 112 ASN CA C 147 56.226 56.226 56.746 -0.520 17579 3166 1 5 . 1 1 112 112 ASN CB C 147 37.990 37.990 38.469 -0.479 17579 3167 1 5 . 1 1 112 112 ASN H H 147 8.795 8.795 8.823 -0.028 17579 3168 1 5 . 1 1 113 113 GLU N N 148 119.868 119.868 120.611 -0.743 17579 3169 1 5 . 1 1 113 113 GLU HA H 148 4.024 4.024 4.047 -0.023 17579 3170 1 5 . 1 1 113 113 GLU C C 148 179.410 179.410 178.691 0.719 17579 3171 1 5 . 1 1 113 113 GLU CA C 148 59.710 59.710 58.919 0.791 17579 3172 1 5 . 1 1 113 113 GLU CB C 148 30.063 30.063 29.400 0.663 17579 3173 1 5 . 1 1 113 113 GLU H H 148 7.764 7.764 7.801 -0.037 17579 3174 1 5 . 1 1 114 114 VAL N N 149 119.684 119.684 116.551 3.133 17579 3175 1 5 . 1 1 114 114 VAL HA H 149 3.544 3.544 3.638 -0.094 17579 3176 1 5 . 1 1 114 114 VAL C C 149 177.613 177.613 178.199 -0.586 17579 3177 1 5 . 1 1 114 114 VAL CA C 149 66.977 66.977 66.341 0.636 17579 3178 1 5 . 1 1 114 114 VAL CB C 149 30.605 30.605 31.160 -0.555 17579 3179 1 5 . 1 1 114 114 VAL H H 149 7.973 7.973 7.999 -0.026 17579 3180 1 5 . 1 1 115 115 VAL N N 150 119.782 119.782 120.908 -1.126 17579 3181 1 5 . 1 1 115 115 VAL HA H 150 3.164 3.164 3.481 -0.317 17579 3182 1 5 . 1 1 115 115 VAL C C 150 177.499 177.499 178.175 -0.676 17579 3183 1 5 . 1 1 115 115 VAL CA C 150 68.301 68.301 66.396 1.905 17579 3184 1 5 . 1 1 115 115 VAL CB C 150 31.483 31.483 30.502 0.981 17579 3185 1 5 . 1 1 115 115 VAL H H 150 8.452 8.452 8.432 0.020 17579 3186 1 5 . 1 1 116 116 LYS N N 151 118.842 118.842 119.537 -0.695 17579 3187 1 5 . 1 1 116 116 LYS HA H 151 4.024 4.024 3.958 0.066 17579 3188 1 5 . 1 1 116 116 LYS C C 151 179.862 179.862 178.951 0.911 17579 3189 1 5 . 1 1 116 116 LYS CA C 151 59.947 59.947 59.209 0.738 17579 3190 1 5 . 1 1 116 116 LYS CB C 151 32.481 32.481 31.952 0.529 17579 3191 1 5 . 1 1 116 116 LYS H H 151 7.595 7.595 7.890 -0.295 17579 3192 1 5 . 1 1 117 117 GLU N N 152 120.243 120.243 120.044 0.199 17579 3193 1 5 . 1 1 117 117 GLU HA H 152 4.052 4.052 4.053 -0.001 17579 3194 1 5 . 1 1 117 117 GLU C C 152 179.528 179.528 178.629 0.899 17579 3195 1 5 . 1 1 117 117 GLU CA C 152 60.178 60.178 59.444 0.734 17579 3196 1 5 . 1 1 117 117 GLU CB C 152 29.949 29.949 29.886 0.063 17579 3197 1 5 . 1 1 117 117 GLU H H 152 7.513 7.513 8.007 -0.494 17579 3198 1 5 . 1 1 118 118 VAL N N 153 120.596 120.596 119.135 1.461 17579 3199 1 5 . 1 1 118 118 VAL HA H 153 3.464 3.464 3.706 -0.242 17579 3200 1 5 . 1 1 118 118 VAL C C 153 177.984 177.984 177.197 0.787 17579 3201 1 5 . 1 1 118 118 VAL CA C 153 68.047 68.047 65.038 3.009 17579 3202 1 5 . 1 1 118 118 VAL CB C 153 32.056 32.056 31.645 0.411 17579 3203 1 5 . 1 1 118 118 VAL H H 153 8.649 8.649 7.880 0.769 17579 3204 1 5 . 1 1 119 119 GLN N N 154 118.317 118.317 118.416 -0.099 17579 3205 1 5 . 1 1 119 119 GLN HA H 154 3.986 3.986 4.124 -0.138 17579 3206 1 5 . 1 1 119 119 GLN C C 154 178.984 178.984 177.098 1.886 17579 3207 1 5 . 1 1 119 119 GLN CA C 154 59.716 59.716 57.943 1.773 17579 3208 1 5 . 1 1 119 119 GLN CB C 154 28.261 28.261 29.185 -0.924 17579 3209 1 5 . 1 1 119 119 GLN H H 154 8.947 8.947 7.812 1.135 17579 3210 1 5 . 1 1 120 120 ALA N N 155 120.688 120.688 122.727 -2.039 17579 3211 1 5 . 1 1 120 120 ALA HA H 155 3.484 3.484 4.206 -0.722 17579 3212 1 5 . 1 1 120 120 ALA C C 155 180.759 180.759 177.678 3.081 17579 3213 1 5 . 1 1 120 120 ALA CA C 155 55.257 55.257 53.618 1.639 17579 3214 1 5 . 1 1 120 120 ALA CB C 155 18.446 18.446 19.436 -0.990 17579 3215 1 5 . 1 1 120 120 ALA H H 155 7.494 7.494 7.807 -0.313 17579 3216 1 6 . 1 1 2 2 LYS N N 37 124.936 124.936 123.358 1.578 17579 3217 1 6 . 1 1 2 2 LYS HA H 37 4.053 4.053 4.139 -0.086 17579 3218 1 6 . 1 1 2 2 LYS C C 37 172.929 172.929 177.712 -4.783 17579 3219 1 6 . 1 1 2 2 LYS CA C 37 60.975 60.975 58.823 2.152 17579 3220 1 6 . 1 1 2 2 LYS CB C 37 32.607 32.607 32.070 0.537 17579 3221 1 6 . 1 1 2 2 LYS H H 37 7.564 7.564 8.461 -0.897 17579 3222 1 6 . 1 1 3 3 LYS N N 38 118.300 118.300 118.270 0.030 17579 3223 1 6 . 1 1 3 3 LYS HA H 38 4.045 4.045 4.017 0.028 17579 3224 1 6 . 1 1 3 3 LYS C C 38 179.361 179.361 178.288 1.073 17579 3225 1 6 . 1 1 3 3 LYS CA C 38 59.930 59.930 58.786 1.144 17579 3226 1 6 . 1 1 3 3 LYS CB C 38 32.885 32.885 31.691 1.194 17579 3227 1 6 . 1 1 3 3 LYS H H 38 8.234 8.234 8.134 0.100 17579 3228 1 6 . 1 1 4 4 LEU N N 39 122.081 122.081 121.398 0.683 17579 3229 1 6 . 1 1 4 4 LEU HA H 39 4.135 4.135 3.914 0.221 17579 3230 1 6 . 1 1 4 4 LEU C C 39 178.433 178.433 178.238 0.195 17579 3231 1 6 . 1 1 4 4 LEU CA C 39 57.726 57.726 59.083 -1.357 17579 3232 1 6 . 1 1 4 4 LEU CB C 39 40.588 40.588 41.718 -1.130 17579 3233 1 6 . 1 1 4 4 LEU H H 39 7.856 7.856 8.314 -0.458 17579 3234 1 6 . 1 1 5 5 ASN N N 40 118.758 118.758 115.577 3.181 17579 3235 1 6 . 1 1 5 5 ASN HA H 40 3.994 3.994 4.301 -0.307 17579 3236 1 6 . 1 1 5 5 ASN C C 40 176.246 176.246 177.429 -1.183 17579 3237 1 6 . 1 1 5 5 ASN CA C 40 57.843 57.843 56.514 1.329 17579 3238 1 6 . 1 1 5 5 ASN CB C 40 40.430 40.430 38.182 2.248 17579 3239 1 6 . 1 1 5 5 ASN H H 40 9.241 9.241 8.251 0.990 17579 3240 1 6 . 1 1 6 6 LYS N N 41 115.665 115.665 120.595 -4.930 17579 3241 1 6 . 1 1 6 6 LYS HA H 41 3.929 3.929 3.979 -0.050 17579 3242 1 6 . 1 1 6 6 LYS C C 41 179.318 179.318 179.092 0.226 17579 3243 1 6 . 1 1 6 6 LYS CA C 41 60.130 60.130 59.573 0.557 17579 3244 1 6 . 1 1 6 6 LYS CB C 41 32.580 32.580 32.236 0.344 17579 3245 1 6 . 1 1 6 6 LYS H H 41 7.239 7.239 7.554 -0.315 17579 3246 1 6 . 1 1 7 7 LYS N N 42 119.038 119.038 120.120 -1.082 17579 3247 1 6 . 1 1 7 7 LYS HA H 42 4.037 4.037 4.004 0.033 17579 3248 1 6 . 1 1 7 7 LYS C C 42 180.428 180.428 179.209 1.219 17579 3249 1 6 . 1 1 7 7 LYS CA C 42 60.178 60.178 59.645 0.533 17579 3250 1 6 . 1 1 7 7 LYS CB C 42 33.670 33.670 32.536 1.134 17579 3251 1 6 . 1 1 7 7 LYS H H 42 7.358 7.358 7.879 -0.521 17579 3252 1 6 . 1 1 8 8 VAL N N 43 122.489 122.489 119.515 2.974 17579 3253 1 6 . 1 1 8 8 VAL HA H 43 3.263 3.263 3.761 -0.498 17579 3254 1 6 . 1 1 8 8 VAL C C 43 177.823 177.823 178.047 -0.224 17579 3255 1 6 . 1 1 8 8 VAL CA C 43 67.836 67.836 67.074 0.762 17579 3256 1 6 . 1 1 8 8 VAL CB C 43 31.523 31.523 31.887 -0.364 17579 3257 1 6 . 1 1 8 8 VAL H H 43 9.167 9.167 8.356 0.811 17579 3258 1 6 . 1 1 9 9 LEU N N 44 119.740 119.740 118.760 0.980 17579 3259 1 6 . 1 1 9 9 LEU HA H 44 3.964 3.964 4.035 -0.071 17579 3260 1 6 . 1 1 9 9 LEU C C 44 179.700 179.700 178.656 1.044 17579 3261 1 6 . 1 1 9 9 LEU CA C 44 58.742 58.742 58.575 0.167 17579 3262 1 6 . 1 1 9 9 LEU CB C 44 41.239 41.239 41.068 0.171 17579 3263 1 6 . 1 1 9 9 LEU H H 44 8.437 8.437 8.306 0.131 17579 3264 1 6 . 1 1 10 10 LYS N N 45 119.832 119.832 119.423 0.409 17579 3265 1 6 . 1 1 10 10 LYS HA H 45 4.013 4.013 4.074 -0.061 17579 3266 1 6 . 1 1 10 10 LYS C C 45 178.847 178.847 179.119 -0.272 17579 3267 1 6 . 1 1 10 10 LYS CA C 45 60.146 60.146 59.738 0.408 17579 3268 1 6 . 1 1 10 10 LYS CB C 45 32.583 32.583 32.090 0.493 17579 3269 1 6 . 1 1 10 10 LYS H H 45 7.857 7.857 8.251 -0.394 17579 3270 1 6 . 1 1 11 11 THR N N 46 116.695 116.695 117.461 -0.766 17579 3271 1 6 . 1 1 11 11 THR HA H 46 4.327 4.327 4.051 0.276 17579 3272 1 6 . 1 1 11 11 THR C C 46 176.211 176.211 176.677 -0.466 17579 3273 1 6 . 1 1 11 11 THR CA C 46 68.237 68.237 66.945 1.292 17579 3274 1 6 . 1 1 11 11 THR CB C 46 68.312 68.312 68.796 -0.484 17579 3275 1 6 . 1 1 11 11 THR H H 46 7.796 7.796 8.110 -0.314 17579 3276 1 6 . 1 1 12 12 VAL N N 47 122.013 122.013 122.088 -0.075 17579 3277 1 6 . 1 1 12 12 VAL HA H 47 3.235 3.235 3.670 -0.435 17579 3278 1 6 . 1 1 12 12 VAL C C 47 177.909 177.909 177.098 0.811 17579 3279 1 6 . 1 1 12 12 VAL CA C 47 67.838 67.838 65.734 2.104 17579 3280 1 6 . 1 1 12 12 VAL CB C 47 31.706 31.706 31.374 0.332 17579 3281 1 6 . 1 1 12 12 VAL H H 47 8.762 8.762 8.199 0.563 17579 3282 1 6 . 1 1 13 13 LYS N N 48 118.035 118.035 119.439 -1.404 17579 3283 1 6 . 1 1 13 13 LYS HA H 48 3.828 3.828 3.988 -0.160 17579 3284 1 6 . 1 1 13 13 LYS CA C 48 59.960 59.960 59.380 0.580 17579 3285 1 6 . 1 1 13 13 LYS CB C 48 32.837 32.837 31.994 0.844 17579 3286 1 6 . 1 1 13 13 LYS H H 48 7.492 7.492 7.946 -0.454 17579 3287 1 6 . 1 1 14 14 LYS N N 49 120.565 120.565 117.969 2.596 17579 3288 1 6 . 1 1 14 14 LYS HA H 49 3.952 3.952 4.073 -0.121 17579 3289 1 6 . 1 1 14 14 LYS C C 49 179.608 179.608 179.261 0.347 17579 3290 1 6 . 1 1 14 14 LYS CA C 49 59.950 59.950 58.734 1.216 17579 3291 1 6 . 1 1 14 14 LYS CB C 49 33.723 33.723 32.434 1.289 17579 3292 1 6 . 1 1 14 14 LYS H H 49 7.498 7.498 7.899 -0.401 17579 3293 1 6 . 1 1 15 15 ALA N N 50 122.192 122.192 121.624 0.568 17579 3294 1 6 . 1 1 15 15 ALA HA H 50 3.467 3.467 3.789 -0.322 17579 3295 1 6 . 1 1 15 15 ALA C C 50 179.970 179.970 178.871 1.099 17579 3296 1 6 . 1 1 15 15 ALA CA C 50 54.950 54.950 54.290 0.660 17579 3297 1 6 . 1 1 15 15 ALA CB C 50 19.270 19.270 17.723 1.547 17579 3298 1 6 . 1 1 15 15 ALA H H 50 8.529 8.529 7.961 0.568 17579 3299 1 6 . 1 1 16 16 SER N N 51 116.624 116.624 113.671 2.953 17579 3300 1 6 . 1 1 16 16 SER HA H 51 4.696 4.696 4.119 0.577 17579 3301 1 6 . 1 1 16 16 SER C C 51 178.705 178.705 176.002 2.703 17579 3302 1 6 . 1 1 16 16 SER CA C 51 62.206 62.206 61.090 1.115 17579 3303 1 6 . 1 1 16 16 SER CB C 51 62.918 62.918 62.830 0.088 17579 3304 1 6 . 1 1 16 16 SER H H 51 8.542 8.542 8.118 0.424 17579 3305 1 6 . 1 1 17 17 LYS N N 52 124.866 124.866 120.294 4.572 17579 3306 1 6 . 1 1 17 17 LYS HA H 52 4.051 4.051 4.211 -0.160 17579 3307 1 6 . 1 1 17 17 LYS C C 52 177.563 177.563 177.038 0.525 17579 3308 1 6 . 1 1 17 17 LYS CA C 52 59.290 59.290 57.607 1.683 17579 3309 1 6 . 1 1 17 17 LYS CB C 52 32.104 32.104 32.757 -0.653 17579 3310 1 6 . 1 1 17 17 LYS H H 52 7.553 7.553 7.360 0.193 17579 3311 1 6 . 1 1 18 18 ALA N N 53 118.801 118.801 120.090 -1.289 17579 3312 1 6 . 1 1 18 18 ALA HA H 53 4.280 4.280 4.421 -0.141 17579 3313 1 6 . 1 1 18 18 ALA C C 53 175.253 175.253 176.167 -0.914 17579 3314 1 6 . 1 1 18 18 ALA CA C 53 52.222 52.222 50.870 1.351 17579 3315 1 6 . 1 1 18 18 ALA CB C 53 19.566 19.566 18.868 0.698 17579 3316 1 6 . 1 1 18 18 ALA H H 53 7.092 7.092 7.509 -0.417 17579 3317 1 6 . 1 1 19 19 LYS N N 54 112.119 112.119 116.222 -4.103 17579 3318 1 6 . 1 1 19 19 LYS HA H 54 4.027 4.027 3.963 0.064 17579 3319 1 6 . 1 1 19 19 LYS C C 54 177.191 177.191 175.781 1.410 17579 3320 1 6 . 1 1 19 19 LYS CA C 54 57.435 57.435 57.463 -0.028 17579 3321 1 6 . 1 1 19 19 LYS CB C 54 28.420 28.420 30.502 -2.082 17579 3322 1 6 . 1 1 19 19 LYS H H 54 7.644 7.644 7.590 0.054 17579 3323 1 6 . 1 1 20 20 ASN N N 55 116.236 116.236 114.284 1.952 17579 3324 1 6 . 1 1 20 20 ASN HA H 55 5.090 5.090 4.801 0.289 17579 3325 1 6 . 1 1 20 20 ASN C C 55 173.176 173.176 174.556 -1.380 17579 3326 1 6 . 1 1 20 20 ASN CA C 55 51.617 51.617 53.615 -1.998 17579 3327 1 6 . 1 1 20 20 ASN CB C 55 40.642 40.642 39.828 0.814 17579 3328 1 6 . 1 1 20 20 ASN H H 55 8.099 8.099 7.893 0.206 17579 3329 1 6 . 1 1 21 21 VAL N N 56 115.268 115.268 114.367 0.901 17579 3330 1 6 . 1 1 21 21 VAL HA H 56 4.864 4.864 4.393 0.471 17579 3331 1 6 . 1 1 21 21 VAL C C 56 175.526 175.526 174.930 0.596 17579 3332 1 6 . 1 1 21 21 VAL CA C 56 61.314 61.314 60.367 0.947 17579 3333 1 6 . 1 1 21 21 VAL CB C 56 35.532 35.532 33.564 1.968 17579 3334 1 6 . 1 1 21 21 VAL H H 56 7.621 7.621 7.397 0.224 17579 3335 1 6 . 1 1 22 22 LYS N N 57 126.903 126.903 127.525 -0.622 17579 3336 1 6 . 1 1 22 22 LYS HA H 57 4.682 4.682 4.705 -0.023 17579 3337 1 6 . 1 1 22 22 LYS C C 57 175.564 175.564 175.158 0.406 17579 3338 1 6 . 1 1 22 22 LYS CA C 57 54.694 54.694 54.361 0.333 17579 3339 1 6 . 1 1 22 22 LYS CB C 57 33.975 33.975 34.966 -0.991 17579 3340 1 6 . 1 1 22 22 LYS H H 57 9.006 9.006 8.606 0.400 17579 3341 1 6 . 1 1 23 23 ARG N N 58 122.053 122.053 123.050 -0.997 17579 3342 1 6 . 1 1 23 23 ARG HA H 58 4.850 4.850 4.829 0.021 17579 3343 1 6 . 1 1 23 23 ARG C C 58 176.136 176.136 175.975 0.161 17579 3344 1 6 . 1 1 23 23 ARG CA C 58 56.100 56.100 55.128 0.972 17579 3345 1 6 . 1 1 23 23 ARG CB C 58 33.752 33.752 31.471 2.281 17579 3346 1 6 . 1 1 23 23 ARG H H 58 8.994 8.994 8.710 0.284 17579 3347 1 6 . 1 1 24 24 GLY N N 59 110.836 110.836 112.666 -1.830 17579 3348 1 6 . 1 1 24 24 GLY C C 59 173.053 173.053 173.304 -0.251 17579 3349 1 6 . 1 1 24 24 GLY CA C 59 45.028 45.028 44.806 0.222 17579 3350 1 6 . 1 1 24 24 GLY H H 59 8.205 8.205 8.479 -0.274 17579 3351 1 6 . 1 1 25 25 VAL N N 60 119.573 119.573 120.776 -1.203 17579 3352 1 6 . 1 1 25 25 VAL HA H 60 4.117 4.117 3.711 0.406 17579 3353 1 6 . 1 1 25 25 VAL C C 60 176.366 176.366 177.011 -0.645 17579 3354 1 6 . 1 1 25 25 VAL CA C 60 67.542 67.542 65.851 1.691 17579 3355 1 6 . 1 1 25 25 VAL CB C 60 32.147 32.147 32.394 -0.247 17579 3356 1 6 . 1 1 25 25 VAL H H 60 8.219 8.219 8.545 -0.326 17579 3357 1 6 . 1 1 26 26 LYS N N 61 117.987 117.987 119.552 -1.565 17579 3358 1 6 . 1 1 26 26 LYS HA H 61 3.896 3.896 3.995 -0.099 17579 3359 1 6 . 1 1 26 26 LYS C C 61 180.230 180.230 177.836 2.394 17579 3360 1 6 . 1 1 26 26 LYS CA C 61 60.492 60.492 60.093 0.399 17579 3361 1 6 . 1 1 26 26 LYS CB C 61 32.356 32.356 31.827 0.529 17579 3362 1 6 . 1 1 26 26 LYS H H 61 8.112 8.112 8.435 -0.323 17579 3363 1 6 . 1 1 27 27 GLU N N 62 117.610 117.610 118.883 -1.273 17579 3364 1 6 . 1 1 27 27 GLU HA H 62 3.937 3.937 4.032 -0.095 17579 3365 1 6 . 1 1 27 27 GLU C C 62 180.103 180.103 178.927 1.176 17579 3366 1 6 . 1 1 27 27 GLU CA C 62 59.119 59.119 59.055 0.064 17579 3367 1 6 . 1 1 27 27 GLU CB C 62 30.052 30.052 28.423 1.629 17579 3368 1 6 . 1 1 27 27 GLU H H 62 8.493 8.493 8.423 0.070 17579 3369 1 6 . 1 1 28 28 VAL N N 63 120.585 120.585 120.765 -0.180 17579 3370 1 6 . 1 1 28 28 VAL HA H 63 3.478 3.478 3.871 -0.393 17579 3371 1 6 . 1 1 28 28 VAL C C 63 176.970 176.970 178.018 -1.048 17579 3372 1 6 . 1 1 28 28 VAL CA C 63 68.197 68.197 66.862 1.335 17579 3373 1 6 . 1 1 28 28 VAL CB C 63 31.632 31.632 31.783 -0.151 17579 3374 1 6 . 1 1 28 28 VAL H H 63 8.241 8.241 7.706 0.535 17579 3375 1 6 . 1 1 29 29 VAL N N 64 118.622 118.622 119.617 -0.995 17579 3376 1 6 . 1 1 29 29 VAL HA H 64 3.333 3.333 3.613 -0.280 17579 3377 1 6 . 1 1 29 29 VAL C C 64 177.709 177.709 178.312 -0.603 17579 3378 1 6 . 1 1 29 29 VAL CA C 64 67.751 67.751 67.009 0.742 17579 3379 1 6 . 1 1 29 29 VAL CB C 64 31.553 31.553 31.241 0.312 17579 3380 1 6 . 1 1 29 29 VAL H H 64 8.510 8.510 8.127 0.383 17579 3381 1 6 . 1 1 30 30 LYS N N 65 118.138 118.138 119.086 -0.948 17579 3382 1 6 . 1 1 30 30 LYS HA H 65 3.855 3.855 3.987 -0.132 17579 3383 1 6 . 1 1 30 30 LYS C C 65 178.693 178.693 178.758 -0.065 17579 3384 1 6 . 1 1 30 30 LYS CA C 65 59.986 59.986 59.205 0.781 17579 3385 1 6 . 1 1 30 30 LYS CB C 65 32.800 32.800 31.781 1.019 17579 3386 1 6 . 1 1 30 30 LYS H H 65 7.533 7.533 8.237 -0.704 17579 3387 1 6 . 1 1 31 31 ALA N N 66 120.585 120.585 121.529 -0.944 17579 3388 1 6 . 1 1 31 31 ALA HA H 66 4.049 4.049 4.080 -0.031 17579 3389 1 6 . 1 1 31 31 ALA C C 66 179.745 179.745 178.982 0.763 17579 3390 1 6 . 1 1 31 31 ALA CA C 66 55.288 55.288 54.468 0.820 17579 3391 1 6 . 1 1 31 31 ALA CB C 66 19.207 19.207 18.094 1.113 17579 3392 1 6 . 1 1 31 31 ALA H H 66 7.489 7.489 7.973 -0.484 17579 3393 1 6 . 1 1 32 32 LEU N N 67 119.402 119.402 115.137 4.265 17579 3394 1 6 . 1 1 32 32 LEU HA H 67 3.976 3.976 4.165 -0.189 17579 3395 1 6 . 1 1 32 32 LEU C C 67 180.917 180.917 178.469 2.448 17579 3396 1 6 . 1 1 32 32 LEU CA C 67 58.115 58.115 56.956 1.159 17579 3397 1 6 . 1 1 32 32 LEU CB C 67 42.554 42.554 41.835 0.719 17579 3398 1 6 . 1 1 32 32 LEU H H 67 8.332 8.332 7.448 0.884 17579 3399 1 6 . 1 1 33 33 ARG N N 68 116.408 116.408 119.733 -3.325 17579 3400 1 6 . 1 1 33 33 ARG HA H 68 3.787 3.787 4.129 -0.342 17579 3401 1 6 . 1 1 33 33 ARG C C 68 178.472 178.472 177.940 0.532 17579 3402 1 6 . 1 1 33 33 ARG CA C 68 59.581 59.581 58.362 1.219 17579 3403 1 6 . 1 1 33 33 ARG CB C 68 29.946 29.946 30.491 -0.545 17579 3404 1 6 . 1 1 33 33 ARG H H 68 8.147 8.147 8.010 0.137 17579 3405 1 6 . 1 1 34 34 LYS N N 69 117.866 117.866 117.600 0.266 17579 3406 1 6 . 1 1 34 34 LYS HA H 69 4.232 4.232 4.209 0.023 17579 3407 1 6 . 1 1 34 34 LYS C C 69 177.005 177.005 177.156 -0.151 17579 3408 1 6 . 1 1 34 34 LYS CA C 69 56.788 56.788 57.034 -0.246 17579 3409 1 6 . 1 1 34 34 LYS CB C 69 33.008 33.008 32.451 0.557 17579 3410 1 6 . 1 1 34 34 LYS H H 69 7.606 7.606 8.152 -0.546 17579 3411 1 6 . 1 1 35 35 GLY N N 70 106.799 106.799 104.401 2.398 17579 3412 1 6 . 1 1 35 35 GLY C C 70 175.547 175.547 174.761 0.786 17579 3413 1 6 . 1 1 35 35 GLY CA C 70 45.969 45.969 45.132 0.837 17579 3414 1 6 . 1 1 35 35 GLY H H 70 7.678 7.678 7.714 -0.036 17579 3415 1 6 . 1 1 36 36 GLU N N 71 119.492 119.492 122.359 -2.867 17579 3416 1 6 . 1 1 36 36 GLU HA H 71 4.199 4.199 4.372 -0.172 17579 3417 1 6 . 1 1 36 36 GLU C C 71 175.625 175.625 175.604 0.021 17579 3418 1 6 . 1 1 36 36 GLU CA C 71 57.696 57.696 54.863 2.833 17579 3419 1 6 . 1 1 36 36 GLU CB C 71 29.620 29.620 27.482 2.138 17579 3420 1 6 . 1 1 36 36 GLU H H 71 7.686 7.686 8.514 -0.828 17579 3421 1 6 . 1 1 37 37 LYS N N 72 118.433 118.433 120.468 -2.035 17579 3422 1 6 . 1 1 37 37 LYS HA H 72 4.863 4.863 4.432 0.431 17579 3423 1 6 . 1 1 37 37 LYS C C 72 175.983 175.983 176.301 -0.318 17579 3424 1 6 . 1 1 37 37 LYS CA C 72 54.299 54.299 54.327 -0.028 17579 3425 1 6 . 1 1 37 37 LYS CB C 72 35.140 35.140 33.783 1.357 17579 3426 1 6 . 1 1 37 37 LYS H H 72 8.202 8.202 7.810 0.392 17579 3427 1 6 . 1 1 38 38 GLY N N 73 104.719 104.719 107.517 -2.798 17579 3428 1 6 . 1 1 38 38 GLY C C 73 172.071 172.071 173.198 -1.127 17579 3429 1 6 . 1 1 38 38 GLY CA C 73 46.798 46.798 45.902 0.896 17579 3430 1 6 . 1 1 38 38 GLY H H 73 7.214 7.214 8.889 -1.675 17579 3431 1 6 . 1 1 39 39 LEU N N 74 125.471 125.471 123.115 2.356 17579 3432 1 6 . 1 1 39 39 LEU HA H 74 4.992 4.992 4.956 0.036 17579 3433 1 6 . 1 1 39 39 LEU C C 74 174.651 174.651 174.659 -0.008 17579 3434 1 6 . 1 1 39 39 LEU CA C 74 54.686 54.686 55.031 -0.345 17579 3435 1 6 . 1 1 39 39 LEU CB C 74 47.360 47.360 45.946 1.414 17579 3436 1 6 . 1 1 39 39 LEU H H 74 8.930 8.930 8.125 0.805 17579 3437 1 6 . 1 1 40 40 VAL N N 75 130.975 130.975 128.135 2.840 17579 3438 1 6 . 1 1 40 40 VAL HA H 75 4.649 4.649 3.767 0.882 17579 3439 1 6 . 1 1 40 40 VAL C C 75 173.868 173.868 175.231 -1.363 17579 3440 1 6 . 1 1 40 40 VAL CA C 75 62.513 62.513 62.136 0.377 17579 3441 1 6 . 1 1 40 40 VAL CB C 75 32.856 32.856 30.939 1.917 17579 3442 1 6 . 1 1 40 40 VAL H H 75 8.549 8.549 9.001 -0.452 17579 3443 1 6 . 1 1 41 41 VAL N N 76 127.452 127.452 129.077 -1.625 17579 3444 1 6 . 1 1 41 41 VAL HA H 76 4.645 4.645 4.352 0.293 17579 3445 1 6 . 1 1 41 41 VAL C C 76 173.931 173.931 175.203 -1.272 17579 3446 1 6 . 1 1 41 41 VAL CA C 76 61.015 61.015 61.420 -0.405 17579 3447 1 6 . 1 1 41 41 VAL CB C 76 33.844 33.844 30.727 3.117 17579 3448 1 6 . 1 1 41 41 VAL H H 76 8.754 8.754 9.071 -0.317 17579 3449 1 6 . 1 1 42 42 ILE N N 77 126.301 126.301 127.730 -1.429 17579 3450 1 6 . 1 1 42 42 ILE HA H 77 4.455 4.455 5.175 -0.720 17579 3451 1 6 . 1 1 42 42 ILE C C 77 174.965 174.965 174.657 0.308 17579 3452 1 6 . 1 1 42 42 ILE CA C 77 59.842 59.842 57.717 2.126 17579 3453 1 6 . 1 1 42 42 ILE CB C 77 40.257 40.257 40.967 -0.710 17579 3454 1 6 . 1 1 42 42 ILE H H 77 8.530 8.530 8.637 -0.107 17579 3455 1 6 . 1 1 43 43 ALA N N 78 128.716 128.716 127.383 1.333 17579 3456 1 6 . 1 1 43 43 ALA HA H 78 4.469 4.469 4.784 -0.315 17579 3457 1 6 . 1 1 43 43 ALA C C 78 177.979 177.979 178.588 -0.609 17579 3458 1 6 . 1 1 43 43 ALA CA C 78 52.398 52.398 50.340 2.058 17579 3459 1 6 . 1 1 43 43 ALA CB C 78 19.600 19.600 19.251 0.349 17579 3460 1 6 . 1 1 43 43 ALA H H 78 8.538 8.538 8.247 0.291 17579 3461 1 6 . 1 1 44 44 GLY N N 79 104.343 104.343 110.593 -6.250 17579 3462 1 6 . 1 1 44 44 GLY C C 79 173.472 173.472 174.237 -0.765 17579 3463 1 6 . 1 1 44 44 GLY CA C 79 46.239 46.239 46.690 -0.451 17579 3464 1 6 . 1 1 44 44 GLY H H 79 9.090 9.090 8.440 0.650 17579 3465 1 6 . 1 1 45 45 ASP N N 80 118.154 118.154 119.174 -1.020 17579 3466 1 6 . 1 1 45 45 ASP HA H 80 4.855 4.855 4.658 0.197 17579 3467 1 6 . 1 1 45 45 ASP C C 80 176.500 176.500 175.515 0.985 17579 3468 1 6 . 1 1 45 45 ASP CA C 80 52.804 52.804 53.932 -1.128 17579 3469 1 6 . 1 1 45 45 ASP CB C 80 39.410 39.410 41.931 -2.521 17579 3470 1 6 . 1 1 45 45 ASP H H 80 8.603 8.603 8.384 0.219 17579 3471 1 6 . 1 1 46 46 ILE N N 81 118.477 118.477 121.152 -2.675 17579 3472 1 6 . 1 1 46 46 ILE HA H 81 4.073 4.073 4.342 -0.269 17579 3473 1 6 . 1 1 46 46 ILE C C 81 173.822 173.822 173.551 0.271 17579 3474 1 6 . 1 1 46 46 ILE CA C 81 59.882 59.882 60.975 -1.093 17579 3475 1 6 . 1 1 46 46 ILE CB C 81 39.136 39.136 40.172 -1.036 17579 3476 1 6 . 1 1 46 46 ILE H H 81 6.846 6.846 7.409 -0.563 17579 3477 1 6 . 1 1 47 47 SER N N 82 117.552 117.552 120.657 -3.105 17579 3478 1 6 . 1 1 47 47 SER HA H 82 4.628 4.628 4.813 -0.185 17579 3479 1 6 . 1 1 47 47 SER C C 82 176.920 176.920 172.267 4.653 17579 3480 1 6 . 1 1 47 47 SER CA C 82 55.444 55.444 56.024 -0.580 17579 3481 1 6 . 1 1 47 47 SER CB C 82 65.268 65.268 64.878 0.390 17579 3482 1 6 . 1 1 47 47 SER H H 82 7.774 7.774 8.269 -0.495 17579 3483 1 6 . 1 1 48 48 PRO HA H 83 4.259 4.259 4.559 -0.300 17579 3484 1 6 . 1 1 48 48 PRO CA C 83 62.312 62.312 62.643 -0.331 17579 3485 1 6 . 1 1 48 48 PRO CB C 83 30.564 30.564 32.249 -1.685 17579 3486 1 6 . 1 1 49 49 ALA N N 84 122.207 122.207 120.252 1.955 17579 3487 1 6 . 1 1 49 49 ALA HA H 84 3.978 3.978 4.328 -0.350 17579 3488 1 6 . 1 1 49 49 ALA C C 84 178.699 178.699 177.676 1.023 17579 3489 1 6 . 1 1 49 49 ALA CA C 84 54.704 54.704 53.383 1.321 17579 3490 1 6 . 1 1 49 49 ALA CB C 84 19.393 19.393 18.612 0.781 17579 3491 1 6 . 1 1 49 49 ALA H H 84 8.091 8.091 8.400 -0.309 17579 3492 1 6 . 1 1 50 50 ASP N N 85 113.440 113.440 120.049 -6.609 17579 3493 1 6 . 1 1 50 50 ASP HA H 85 4.338 4.338 4.575 -0.237 17579 3494 1 6 . 1 1 50 50 ASP C C 85 177.723 177.723 178.323 -0.600 17579 3495 1 6 . 1 1 50 50 ASP CA C 85 56.203 56.203 55.501 0.702 17579 3496 1 6 . 1 1 50 50 ASP CB C 85 40.562 40.562 40.673 -0.111 17579 3497 1 6 . 1 1 50 50 ASP H H 85 8.148 8.148 8.240 -0.092 17579 3498 1 6 . 1 1 51 51 VAL N N 86 116.604 116.604 120.934 -4.330 17579 3499 1 6 . 1 1 51 51 VAL HA H 86 3.925 3.925 3.862 0.063 17579 3500 1 6 . 1 1 51 51 VAL C C 86 176.966 176.966 176.821 0.145 17579 3501 1 6 . 1 1 51 51 VAL CA C 86 65.241 65.241 65.932 -0.691 17579 3502 1 6 . 1 1 51 51 VAL CB C 86 32.467 32.467 31.672 0.795 17579 3503 1 6 . 1 1 51 51 VAL H H 86 7.538 7.538 8.150 -0.612 17579 3504 1 6 . 1 1 52 52 ILE N N 87 108.211 108.211 114.214 -6.003 17579 3505 1 6 . 1 1 52 52 ILE HA H 87 4.565 4.565 3.899 0.666 17579 3506 1 6 . 1 1 52 52 ILE C C 87 178.116 178.116 176.843 1.273 17579 3507 1 6 . 1 1 52 52 ILE CA C 87 60.165 60.165 63.722 -3.558 17579 3508 1 6 . 1 1 52 52 ILE CB C 87 41.048 41.048 37.346 3.702 17579 3509 1 6 . 1 1 52 52 ILE H H 87 7.283 7.283 7.832 -0.549 17579 3510 1 6 . 1 1 53 53 SER N N 88 116.088 116.088 115.118 0.970 17579 3511 1 6 . 1 1 53 53 SER HA H 88 4.538 4.538 4.400 0.138 17579 3512 1 6 . 1 1 53 53 SER CA C 88 61.852 61.852 59.323 2.529 17579 3513 1 6 . 1 1 53 53 SER CB C 88 62.604 62.604 64.059 -1.455 17579 3514 1 6 . 1 1 53 53 SER H H 88 7.845 7.845 7.964 -0.119 17579 3515 1 6 . 1 1 54 54 HIS N N 89 121.004 121.004 122.119 -1.115 17579 3516 1 6 . 1 1 54 54 HIS HA H 89 4.590 4.590 4.550 0.040 17579 3517 1 6 . 1 1 54 54 HIS C C 89 176.530 176.530 176.813 -0.283 17579 3518 1 6 . 1 1 54 54 HIS CA C 89 56.554 56.554 59.020 -2.466 17579 3519 1 6 . 1 1 54 54 HIS CB C 89 33.261 33.261 30.865 2.396 17579 3520 1 6 . 1 1 54 54 HIS H H 89 8.450 8.450 8.299 0.151 17579 3521 1 6 . 1 1 55 55 ILE N N 90 123.909 123.909 121.697 2.212 17579 3522 1 6 . 1 1 55 55 ILE HA H 90 4.583 4.583 3.552 1.031 17579 3523 1 6 . 1 1 55 55 ILE CA C 90 62.230 62.230 67.701 -5.471 17579 3524 1 6 . 1 1 55 55 ILE CB C 90 42.418 42.418 35.689 6.729 17579 3525 1 6 . 1 1 55 55 ILE H H 90 8.142 8.142 8.362 -0.220 17579 3526 1 6 . 1 1 56 56 PRO HA H 91 2.974 2.974 4.228 -1.254 17579 3527 1 6 . 1 1 56 56 PRO C C 91 177.132 177.132 178.569 -1.437 17579 3528 1 6 . 1 1 56 56 PRO CA C 91 66.917 66.917 65.731 1.187 17579 3529 1 6 . 1 1 56 56 PRO CB C 91 31.519 31.519 30.999 0.520 17579 3530 1 6 . 1 1 57 57 VAL N N 92 114.761 114.761 119.082 -4.321 17579 3531 1 6 . 1 1 57 57 VAL HA H 92 3.570 3.570 3.725 -0.155 17579 3532 1 6 . 1 1 57 57 VAL C C 92 177.995 177.995 178.146 -0.151 17579 3533 1 6 . 1 1 57 57 VAL CA C 92 66.358 66.358 66.208 0.150 17579 3534 1 6 . 1 1 57 57 VAL CB C 92 31.694 31.694 31.335 0.359 17579 3535 1 6 . 1 1 57 57 VAL H H 92 6.505 6.505 7.179 -0.674 17579 3536 1 6 . 1 1 58 58 LEU N N 93 120.572 120.572 118.198 2.374 17579 3537 1 6 . 1 1 58 58 LEU HA H 93 4.200 4.200 4.068 0.132 17579 3538 1 6 . 1 1 58 58 LEU C C 93 180.452 180.452 178.782 1.670 17579 3539 1 6 . 1 1 58 58 LEU CA C 93 57.938 57.938 58.126 -0.188 17579 3540 1 6 . 1 1 58 58 LEU CB C 93 43.394 43.394 40.907 2.487 17579 3541 1 6 . 1 1 58 58 LEU H H 93 7.432 7.432 8.244 -0.812 17579 3542 1 6 . 1 1 59 59 CYS N N 94 117.330 117.330 118.515 -1.185 17579 3543 1 6 . 1 1 59 59 CYS HA H 94 3.827 3.827 4.225 -0.398 17579 3544 1 6 . 1 1 59 59 CYS C C 94 177.986 177.986 176.687 1.299 17579 3545 1 6 . 1 1 59 59 CYS CA C 94 65.483 65.483 62.359 3.124 17579 3546 1 6 . 1 1 59 59 CYS CB C 94 26.552 26.552 27.448 -0.896 17579 3547 1 6 . 1 1 59 59 CYS H H 94 8.423 8.423 8.034 0.389 17579 3548 1 6 . 1 1 60 60 GLU N N 95 120.766 120.766 119.682 1.084 17579 3549 1 6 . 1 1 60 60 GLU HA H 95 3.512 3.512 4.159 -0.647 17579 3550 1 6 . 1 1 60 60 GLU C C 95 180.736 180.736 177.275 3.461 17579 3551 1 6 . 1 1 60 60 GLU CA C 95 59.909 59.909 58.494 1.415 17579 3552 1 6 . 1 1 60 60 GLU CB C 95 29.108 29.108 29.457 -0.349 17579 3553 1 6 . 1 1 60 60 GLU H H 95 8.237 8.237 7.836 0.401 17579 3554 1 6 . 1 1 61 61 ASP N N 96 120.591 120.591 118.719 1.872 17579 3555 1 6 . 1 1 61 61 ASP HA H 96 4.311 4.311 4.492 -0.181 17579 3556 1 6 . 1 1 61 61 ASP C C 96 178.004 178.004 177.344 0.660 17579 3557 1 6 . 1 1 61 61 ASP CA C 96 57.549 57.549 56.116 1.433 17579 3558 1 6 . 1 1 61 61 ASP CB C 96 41.083 41.083 41.561 -0.478 17579 3559 1 6 . 1 1 61 61 ASP H H 96 8.345 8.345 7.839 0.506 17579 3560 1 6 . 1 1 62 62 HIS N N 97 115.844 115.844 115.733 0.111 17579 3561 1 6 . 1 1 62 62 HIS HA H 97 4.575 4.575 4.794 -0.219 17579 3562 1 6 . 1 1 62 62 HIS C C 97 173.728 173.728 174.584 -0.856 17579 3563 1 6 . 1 1 62 62 HIS CA C 97 57.418 57.418 56.544 0.874 17579 3564 1 6 . 1 1 62 62 HIS CB C 97 30.067 30.067 32.645 -2.578 17579 3565 1 6 . 1 1 62 62 HIS H H 97 7.663 7.663 7.895 -0.232 17579 3566 1 6 . 1 1 63 63 SER N N 98 114.813 114.813 115.192 -0.379 17579 3567 1 6 . 1 1 63 63 SER HA H 98 4.097 4.097 4.171 -0.074 17579 3568 1 6 . 1 1 63 63 SER C C 98 173.789 173.789 173.602 0.187 17579 3569 1 6 . 1 1 63 63 SER CA C 98 59.255 59.255 58.895 0.360 17579 3570 1 6 . 1 1 63 63 SER CB C 98 61.602 61.602 61.663 -0.061 17579 3571 1 6 . 1 1 63 63 SER H H 98 7.861 7.861 8.220 -0.359 17579 3572 1 6 . 1 1 64 64 VAL N N 99 123.227 123.227 122.742 0.485 17579 3573 1 6 . 1 1 64 64 VAL HA H 99 4.157 4.157 4.512 -0.355 17579 3574 1 6 . 1 1 64 64 VAL C C 99 174.345 174.345 174.857 -0.512 17579 3575 1 6 . 1 1 64 64 VAL CA C 99 58.923 58.923 60.027 -1.104 17579 3576 1 6 . 1 1 64 64 VAL CB C 99 35.133 35.133 33.864 1.269 17579 3577 1 6 . 1 1 64 64 VAL H H 99 8.603 8.603 7.845 0.758 17579 3578 1 6 . 1 1 65 65 PRO HA H 100 4.260 4.260 4.473 -0.213 17579 3579 1 6 . 1 1 65 65 PRO C C 100 173.335 173.335 175.204 -1.869 17579 3580 1 6 . 1 1 65 65 PRO CA C 100 63.165 63.165 63.019 0.146 17579 3581 1 6 . 1 1 65 65 PRO CB C 100 32.083 32.083 29.716 2.367 17579 3582 1 6 . 1 1 66 66 TYR N N 101 114.840 114.840 124.363 -9.523 17579 3583 1 6 . 1 1 66 66 TYR HA H 101 5.900 5.900 4.753 1.147 17579 3584 1 6 . 1 1 66 66 TYR C C 101 170.503 170.503 173.529 -3.026 17579 3585 1 6 . 1 1 66 66 TYR CA C 101 53.986 53.986 56.071 -2.085 17579 3586 1 6 . 1 1 66 66 TYR CB C 101 41.998 41.998 40.808 1.190 17579 3587 1 6 . 1 1 66 66 TYR H H 101 6.219 6.219 7.964 -1.745 17579 3588 1 6 . 1 1 67 67 ILE N N 102 112.118 112.118 125.226 -13.108 17579 3589 1 6 . 1 1 67 67 ILE HA H 102 4.488 4.488 4.040 0.448 17579 3590 1 6 . 1 1 67 67 ILE C C 102 171.963 171.963 173.146 -1.183 17579 3591 1 6 . 1 1 67 67 ILE CA C 102 55.343 55.343 58.642 -3.299 17579 3592 1 6 . 1 1 67 67 ILE CB C 102 43.317 43.317 41.859 1.458 17579 3593 1 6 . 1 1 67 67 ILE H H 102 7.954 7.954 8.535 -0.581 17579 3594 1 6 . 1 1 68 68 PHE N N 103 122.272 122.272 125.406 -3.134 17579 3595 1 6 . 1 1 68 68 PHE HA H 103 5.945 5.945 4.912 1.033 17579 3596 1 6 . 1 1 68 68 PHE C C 103 176.374 176.374 174.786 1.588 17579 3597 1 6 . 1 1 68 68 PHE CA C 103 56.520 56.520 55.850 0.670 17579 3598 1 6 . 1 1 68 68 PHE CB C 103 40.518 40.518 41.466 -0.948 17579 3599 1 6 . 1 1 68 68 PHE H H 103 8.087 8.087 8.317 -0.230 17579 3600 1 6 . 1 1 69 69 ILE N N 104 114.672 114.672 121.402 -6.730 17579 3601 1 6 . 1 1 69 69 ILE HA H 104 2.991 2.991 4.620 -1.629 17579 3602 1 6 . 1 1 69 69 ILE C C 104 175.387 175.387 173.935 1.452 17579 3603 1 6 . 1 1 69 69 ILE CA C 104 57.903 57.903 57.976 -0.073 17579 3604 1 6 . 1 1 69 69 ILE CB C 104 38.207 38.207 39.825 -1.618 17579 3605 1 6 . 1 1 69 69 ILE H H 104 8.847 8.847 8.572 0.275 17579 3606 1 6 . 1 1 70 70 PRO HA H 105 3.918 3.918 4.573 -0.655 17579 3607 1 6 . 1 1 70 70 PRO C C 105 177.442 177.442 176.209 1.233 17579 3608 1 6 . 1 1 70 70 PRO CA C 105 64.823 64.823 63.134 1.689 17579 3609 1 6 . 1 1 70 70 PRO CB C 105 35.906 35.906 30.486 5.420 17579 3610 1 6 . 1 1 71 71 SER N N 106 113.113 113.113 116.907 -3.794 17579 3611 1 6 . 1 1 71 71 SER HA H 106 4.261 4.261 4.598 -0.338 17579 3612 1 6 . 1 1 71 71 SER C C 106 175.111 175.111 174.875 0.236 17579 3613 1 6 . 1 1 71 71 SER CA C 106 60.111 60.111 57.514 2.597 17579 3614 1 6 . 1 1 71 71 SER CB C 106 63.687 63.687 64.256 -0.569 17579 3615 1 6 . 1 1 71 71 SER H H 106 7.904 7.904 8.127 -0.223 17579 3616 1 6 . 1 1 72 72 LYS N N 107 119.830 119.830 128.460 -8.630 17579 3617 1 6 . 1 1 72 72 LYS HA H 107 4.187 4.187 3.881 0.306 17579 3618 1 6 . 1 1 72 72 LYS CA C 107 58.783 58.783 60.627 -1.844 17579 3619 1 6 . 1 1 72 72 LYS CB C 107 30.951 30.951 32.500 -1.549 17579 3620 1 6 . 1 1 72 72 LYS H H 107 8.314 8.314 8.843 -0.529 17579 3621 1 6 . 1 1 73 73 GLN N N 108 123.860 123.860 118.383 5.477 17579 3622 1 6 . 1 1 73 73 GLN HA H 108 4.001 4.001 4.008 -0.007 17579 3623 1 6 . 1 1 73 73 GLN CA C 108 58.831 58.831 59.280 -0.449 17579 3624 1 6 . 1 1 73 73 GLN CB C 108 28.451 28.451 27.939 0.512 17579 3625 1 6 . 1 1 73 73 GLN H H 108 8.510 8.510 8.672 -0.162 17579 3626 1 6 . 1 1 74 74 ASP N N 109 121.145 121.145 120.206 0.939 17579 3627 1 6 . 1 1 74 74 ASP HA H 109 4.389 4.389 4.382 0.007 17579 3628 1 6 . 1 1 74 74 ASP C C 109 178.552 178.552 178.820 -0.268 17579 3629 1 6 . 1 1 74 74 ASP H H 109 7.966 7.966 7.629 0.337 17579 3630 1 6 . 1 1 75 75 LEU N N 110 121.098 121.098 120.428 0.670 17579 3631 1 6 . 1 1 75 75 LEU HA H 110 3.955 3.955 3.962 -0.007 17579 3632 1 6 . 1 1 75 75 LEU C C 110 178.953 178.953 179.543 -0.590 17579 3633 1 6 . 1 1 75 75 LEU CA C 110 56.538 56.538 58.034 -1.496 17579 3634 1 6 . 1 1 75 75 LEU CB C 110 40.845 40.845 41.016 -0.171 17579 3635 1 6 . 1 1 75 75 LEU H H 110 7.932 7.932 8.154 -0.222 17579 3636 1 6 . 1 1 76 76 GLY N N 111 105.659 105.659 105.805 -0.146 17579 3637 1 6 . 1 1 76 76 GLY C C 111 175.510 175.510 175.898 -0.388 17579 3638 1 6 . 1 1 76 76 GLY CA C 111 47.037 47.037 46.178 0.858 17579 3639 1 6 . 1 1 76 76 GLY H H 111 8.006 8.006 8.287 -0.281 17579 3640 1 6 . 1 1 77 77 ALA N N 112 122.987 122.987 124.223 -1.236 17579 3641 1 6 . 1 1 77 77 ALA HA H 112 4.112 4.112 4.098 0.014 17579 3642 1 6 . 1 1 77 77 ALA C C 112 179.350 179.350 178.225 1.125 17579 3643 1 6 . 1 1 77 77 ALA CA C 112 53.930 53.930 54.627 -0.697 17579 3644 1 6 . 1 1 77 77 ALA CB C 112 18.727 18.727 18.488 0.239 17579 3645 1 6 . 1 1 77 77 ALA H H 112 7.824 7.824 8.142 -0.318 17579 3646 1 6 . 1 1 78 78 ALA N N 113 121.466 121.466 118.659 2.807 17579 3647 1 6 . 1 1 78 78 ALA HA H 113 4.189 4.189 4.347 -0.158 17579 3648 1 6 . 1 1 78 78 ALA C C 113 177.368 177.368 179.147 -1.779 17579 3649 1 6 . 1 1 78 78 ALA CA C 113 53.750 53.750 53.063 0.687 17579 3650 1 6 . 1 1 78 78 ALA CB C 113 19.231 19.231 19.646 -0.415 17579 3651 1 6 . 1 1 78 78 ALA H H 113 7.785 7.785 7.830 -0.045 17579 3652 1 6 . 1 1 79 79 GLY N N 114 104.016 104.016 107.607 -3.591 17579 3653 1 6 . 1 1 79 79 GLY CA C 114 45.256 45.256 45.727 -0.471 17579 3654 1 6 . 1 1 79 79 GLY H H 114 7.742 7.742 8.230 -0.488 17579 3655 1 6 . 1 1 80 80 ALA HA H 115 4.100 4.100 4.470 -0.370 17579 3656 1 6 . 1 1 80 80 ALA C C 115 176.526 176.526 176.754 -0.228 17579 3657 1 6 . 1 1 80 80 ALA CA C 115 53.482 53.482 52.158 1.324 17579 3658 1 6 . 1 1 80 80 ALA CB C 115 19.825 19.825 20.175 -0.350 17579 3659 1 6 . 1 1 81 81 THR N N 116 116.236 116.236 114.661 1.575 17579 3660 1 6 . 1 1 81 81 THR HA H 116 4.718 4.718 4.002 0.716 17579 3661 1 6 . 1 1 81 81 THR CA C 116 57.275 57.275 64.720 -7.445 17579 3662 1 6 . 1 1 81 81 THR CB C 116 64.878 64.878 68.592 -3.714 17579 3663 1 6 . 1 1 81 81 THR H H 116 8.068 8.068 8.582 -0.514 17579 3664 1 6 . 1 1 84 84 PRO HA H 119 4.072 4.072 4.595 -0.523 17579 3665 1 6 . 1 1 84 84 PRO CB C 119 32.154 32.154 32.440 -0.286 17579 3666 1 6 . 1 1 85 85 THR N N 120 119.680 119.680 113.504 6.176 17579 3667 1 6 . 1 1 85 85 THR C C 120 175.333 175.333 174.000 1.333 17579 3668 1 6 . 1 1 85 85 THR CB C 120 71.769 71.769 70.265 1.504 17579 3669 1 6 . 1 1 85 85 THR H H 120 8.002 8.002 7.928 0.074 17579 3670 1 6 . 1 1 86 86 SER N N 121 115.589 115.589 114.483 1.106 17579 3671 1 6 . 1 1 86 86 SER HA H 121 4.325 4.325 4.605 -0.280 17579 3672 1 6 . 1 1 86 86 SER C C 121 172.929 172.929 173.324 -0.395 17579 3673 1 6 . 1 1 86 86 SER CA C 121 59.722 59.722 58.611 1.111 17579 3674 1 6 . 1 1 86 86 SER CB C 121 64.608 64.608 64.278 0.330 17579 3675 1 6 . 1 1 86 86 SER H H 121 7.335 7.335 8.455 -1.120 17579 3676 1 6 . 1 1 87 87 VAL N N 122 116.044 116.044 118.416 -2.372 17579 3677 1 6 . 1 1 87 87 VAL HA H 122 5.200 5.200 4.808 0.392 17579 3678 1 6 . 1 1 87 87 VAL C C 122 172.465 172.465 174.344 -1.879 17579 3679 1 6 . 1 1 87 87 VAL CA C 122 59.819 59.819 60.762 -0.943 17579 3680 1 6 . 1 1 87 87 VAL CB C 122 33.368 33.368 33.868 -0.500 17579 3681 1 6 . 1 1 87 87 VAL H H 122 7.152 7.152 7.329 -0.177 17579 3682 1 6 . 1 1 88 88 VAL N N 123 119.350 119.350 125.093 -5.743 17579 3683 1 6 . 1 1 88 88 VAL HA H 123 5.091 5.091 4.877 0.214 17579 3684 1 6 . 1 1 88 88 VAL C C 123 173.214 173.214 173.856 -0.642 17579 3685 1 6 . 1 1 88 88 VAL CA C 123 59.219 59.219 61.257 -2.038 17579 3686 1 6 . 1 1 88 88 VAL CB C 123 36.362 36.362 35.737 0.625 17579 3687 1 6 . 1 1 88 88 VAL H H 123 8.851 8.851 8.687 0.164 17579 3688 1 6 . 1 1 89 89 PHE N N 124 122.568 122.568 128.504 -5.936 17579 3689 1 6 . 1 1 89 89 PHE HA H 124 5.613 5.613 5.257 0.356 17579 3690 1 6 . 1 1 89 89 PHE C C 124 174.887 174.887 175.262 -0.375 17579 3691 1 6 . 1 1 89 89 PHE CA C 124 52.961 52.961 55.794 -2.833 17579 3692 1 6 . 1 1 89 89 PHE CB C 124 42.788 42.788 40.991 1.797 17579 3693 1 6 . 1 1 89 89 PHE H H 124 9.051 9.051 9.602 -0.551 17579 3694 1 6 . 1 1 90 90 ILE N N 125 127.707 127.707 127.768 -0.061 17579 3695 1 6 . 1 1 90 90 ILE HA H 125 4.264 4.264 4.317 -0.053 17579 3696 1 6 . 1 1 90 90 ILE C C 125 173.870 173.870 175.641 -1.771 17579 3697 1 6 . 1 1 90 90 ILE CA C 125 61.789 61.789 60.042 1.747 17579 3698 1 6 . 1 1 90 90 ILE CB C 125 39.785 39.785 37.749 2.035 17579 3699 1 6 . 1 1 90 90 ILE H H 125 9.477 9.477 9.278 0.199 17579 3700 1 6 . 1 1 91 91 VAL N N 126 126.579 126.579 119.705 6.874 17579 3701 1 6 . 1 1 91 91 VAL HA H 126 4.566 4.566 4.913 -0.347 17579 3702 1 6 . 1 1 91 91 VAL C C 126 173.829 173.829 173.915 -0.086 17579 3703 1 6 . 1 1 91 91 VAL CA C 126 58.701 58.701 58.339 0.362 17579 3704 1 6 . 1 1 91 91 VAL CB C 126 32.989 32.989 34.725 -1.736 17579 3705 1 6 . 1 1 91 91 VAL H H 126 8.149 8.149 8.864 -0.715 17579 3706 1 6 . 1 1 92 92 PRO HA H 127 4.035 4.035 4.631 -0.596 17579 3707 1 6 . 1 1 92 92 PRO C C 127 177.766 177.766 177.047 0.719 17579 3708 1 6 . 1 1 92 92 PRO CA C 127 63.684 63.684 62.717 0.967 17579 3709 1 6 . 1 1 92 92 PRO CB C 127 32.178 32.178 32.337 -0.159 17579 3710 1 6 . 1 1 93 93 GLY N N 128 108.618 108.618 112.581 -3.963 17579 3711 1 6 . 1 1 93 93 GLY CA C 128 45.787 45.787 45.771 0.016 17579 3712 1 6 . 1 1 93 93 GLY H H 128 7.970 7.970 8.440 -0.470 17579 3713 1 6 . 1 1 94 94 SER N N 129 113.620 113.620 111.751 1.869 17579 3714 1 6 . 1 1 94 94 SER HA H 129 4.317 4.317 4.546 -0.229 17579 3715 1 6 . 1 1 94 94 SER C C 129 180.379 180.379 173.682 6.697 17579 3716 1 6 . 1 1 94 94 SER CA C 129 58.566 58.566 57.445 1.121 17579 3717 1 6 . 1 1 94 94 SER H H 129 7.952 7.952 7.574 0.378 17579 3718 1 6 . 1 1 95 95 ASN N N 130 120.775 120.775 120.651 0.124 17579 3719 1 6 . 1 1 95 95 ASN HA H 130 3.964 3.964 4.617 -0.653 17579 3720 1 6 . 1 1 95 95 ASN C C 130 178.664 178.664 176.105 2.559 17579 3721 1 6 . 1 1 95 95 ASN CA C 130 57.689 57.689 55.231 2.458 17579 3722 1 6 . 1 1 95 95 ASN CB C 130 42.288 42.288 38.422 3.866 17579 3723 1 6 . 1 1 95 95 ASN H H 130 8.300 8.300 8.713 -0.413 17579 3724 1 6 . 1 1 96 96 LYS N N 131 119.316 119.316 117.608 1.708 17579 3725 1 6 . 1 1 96 96 LYS HA H 131 4.095 4.095 4.103 -0.008 17579 3726 1 6 . 1 1 96 96 LYS C C 131 178.290 178.290 178.031 0.259 17579 3727 1 6 . 1 1 96 96 LYS CA C 131 59.062 59.062 58.611 0.451 17579 3728 1 6 . 1 1 96 96 LYS CB C 131 29.745 29.745 32.306 -2.561 17579 3729 1 6 . 1 1 96 96 LYS H H 131 7.896 7.896 8.215 -0.319 17579 3730 1 6 . 1 1 97 97 LYS N N 132 117.523 117.523 116.198 1.325 17579 3731 1 6 . 1 1 97 97 LYS C C 132 176.927 176.927 178.144 -1.217 17579 3732 1 6 . 1 1 97 97 LYS CA C 132 58.555 58.555 57.328 1.227 17579 3733 1 6 . 1 1 97 97 LYS CB C 132 30.578 30.578 32.745 -2.167 17579 3734 1 6 . 1 1 97 97 LYS H H 132 7.791 7.791 7.490 0.301 17579 3735 1 6 . 1 1 98 98 LYS HA H 133 4.236 4.236 4.305 -0.069 17579 3736 1 6 . 1 1 98 98 LYS C C 133 176.606 176.606 177.136 -0.530 17579 3737 1 6 . 1 1 98 98 LYS CA C 133 57.225 57.225 57.213 0.012 17579 3738 1 6 . 1 1 98 98 LYS CB C 133 33.151 33.151 31.665 1.486 17579 3739 1 6 . 1 1 99 99 ASP N N 134 120.311 120.311 118.653 1.658 17579 3740 1 6 . 1 1 99 99 ASP HA H 134 4.584 4.584 4.536 0.048 17579 3741 1 6 . 1 1 99 99 ASP C C 134 176.899 176.899 176.898 0.001 17579 3742 1 6 . 1 1 99 99 ASP CA C 134 54.402 54.402 54.307 0.095 17579 3743 1 6 . 1 1 99 99 ASP CB C 134 41.568 41.568 41.341 0.227 17579 3744 1 6 . 1 1 99 99 ASP H H 134 8.267 8.267 7.774 0.493 17579 3745 1 6 . 1 1 100 100 GLY N N 135 108.751 108.751 107.804 0.947 17579 3746 1 6 . 1 1 100 100 GLY C C 135 174.683 174.683 173.851 0.832 17579 3747 1 6 . 1 1 100 100 GLY CA C 135 45.985 45.985 44.594 1.391 17579 3748 1 6 . 1 1 100 100 GLY H H 135 8.235 8.235 7.311 0.924 17579 3749 1 6 . 1 1 101 101 LYS N N 136 120.306 120.306 118.148 2.158 17579 3750 1 6 . 1 1 101 101 LYS HA H 136 4.279 4.279 3.927 0.352 17579 3751 1 6 . 1 1 101 101 LYS C C 136 175.145 175.145 175.204 -0.059 17579 3752 1 6 . 1 1 101 101 LYS CA C 136 56.875 56.875 57.550 -0.675 17579 3753 1 6 . 1 1 101 101 LYS CB C 136 32.987 32.987 31.407 1.580 17579 3754 1 6 . 1 1 101 101 LYS H H 136 8.148 8.148 8.688 -0.540 17579 3755 1 6 . 1 1 102 102 ASN N N 137 118.958 118.958 114.796 4.162 17579 3756 1 6 . 1 1 102 102 ASN HA H 137 4.707 4.707 4.986 -0.279 17579 3757 1 6 . 1 1 102 102 ASN C C 137 175.849 175.849 175.527 0.322 17579 3758 1 6 . 1 1 102 102 ASN CA C 137 53.816 53.816 51.981 1.835 17579 3759 1 6 . 1 1 102 102 ASN CB C 137 39.070 39.070 41.108 -2.038 17579 3760 1 6 . 1 1 102 102 ASN H H 137 8.406 8.406 7.754 0.652 17579 3761 1 6 . 1 1 103 103 LYS N N 138 121.782 121.782 120.190 1.592 17579 3762 1 6 . 1 1 103 103 LYS HA H 138 4.255 4.255 4.112 0.143 17579 3763 1 6 . 1 1 103 103 LYS CA C 138 56.641 56.641 58.923 -2.282 17579 3764 1 6 . 1 1 103 103 LYS CB C 138 32.911 32.911 32.340 0.571 17579 3765 1 6 . 1 1 103 103 LYS H H 138 8.316 8.316 8.736 -0.420 17579 3766 1 6 . 1 1 104 104 GLU N N 139 121.053 121.053 120.158 0.895 17579 3767 1 6 . 1 1 104 104 GLU CA C 139 57.449 57.449 59.416 -1.967 17579 3768 1 6 . 1 1 104 104 GLU CB C 139 29.983 29.983 28.965 1.018 17579 3769 1 6 . 1 1 104 104 GLU H H 139 8.459 8.459 8.585 -0.126 17579 3770 1 6 . 1 1 106 106 GLU N N 141 122.191 122.191 119.237 2.954 17579 3771 1 6 . 1 1 106 106 GLU HA H 141 4.268 4.268 4.031 0.237 17579 3772 1 6 . 1 1 106 106 GLU CA C 141 64.025 64.025 59.036 4.989 17579 3773 1 6 . 1 1 106 106 GLU CB C 141 32.117 32.117 29.126 2.991 17579 3774 1 6 . 1 1 106 106 GLU H H 141 8.291 8.291 8.506 -0.215 17579 3775 1 6 . 1 1 107 107 TYR N N 142 115.802 115.802 122.275 -6.473 17579 3776 1 6 . 1 1 107 107 TYR HA H 142 4.996 4.996 3.981 1.015 17579 3777 1 6 . 1 1 107 107 TYR C C 142 175.381 175.381 177.337 -1.956 17579 3778 1 6 . 1 1 107 107 TYR CA C 142 57.581 57.581 61.676 -4.095 17579 3779 1 6 . 1 1 107 107 TYR CB C 142 39.533 39.533 38.291 1.242 17579 3780 1 6 . 1 1 107 107 TYR H H 142 7.344 7.344 9.048 -1.704 17579 3781 1 6 . 1 1 108 108 LYS N N 143 123.473 123.473 118.650 4.823 17579 3782 1 6 . 1 1 108 108 LYS HA H 143 3.628 3.628 3.562 0.066 17579 3783 1 6 . 1 1 108 108 LYS C C 143 177.659 177.659 178.855 -1.196 17579 3784 1 6 . 1 1 108 108 LYS CA C 143 59.988 59.988 59.487 0.501 17579 3785 1 6 . 1 1 108 108 LYS CB C 143 32.294 32.294 31.976 0.318 17579 3786 1 6 . 1 1 108 108 LYS H H 143 7.376 7.376 8.327 -0.951 17579 3787 1 6 . 1 1 109 109 GLU N N 144 118.799 118.799 119.065 -0.266 17579 3788 1 6 . 1 1 109 109 GLU HA H 144 4.048 4.048 4.022 0.026 17579 3789 1 6 . 1 1 109 109 GLU C C 144 179.583 179.583 178.659 0.924 17579 3790 1 6 . 1 1 109 109 GLU CA C 144 60.200 60.200 59.715 0.485 17579 3791 1 6 . 1 1 109 109 GLU CB C 144 29.237 29.237 29.433 -0.197 17579 3792 1 6 . 1 1 109 109 GLU H H 144 8.558 8.558 8.139 0.419 17579 3793 1 6 . 1 1 110 110 SER N N 145 116.121 116.121 115.539 0.582 17579 3794 1 6 . 1 1 110 110 SER HA H 145 4.319 4.319 4.165 0.154 17579 3795 1 6 . 1 1 110 110 SER C C 145 176.522 176.522 176.752 -0.230 17579 3796 1 6 . 1 1 110 110 SER CA C 145 61.990 61.990 61.783 0.207 17579 3797 1 6 . 1 1 110 110 SER CB C 145 63.293 63.293 63.133 0.160 17579 3798 1 6 . 1 1 110 110 SER H H 145 8.094 8.094 8.200 -0.106 17579 3799 1 6 . 1 1 111 111 PHE N N 146 122.311 122.311 121.699 0.612 17579 3800 1 6 . 1 1 111 111 PHE HA H 146 4.021 4.021 4.088 -0.067 17579 3801 1 6 . 1 1 111 111 PHE C C 146 176.001 176.001 176.869 -0.868 17579 3802 1 6 . 1 1 111 111 PHE CA C 146 62.504 62.504 60.026 2.478 17579 3803 1 6 . 1 1 111 111 PHE CB C 146 39.861 39.861 38.564 1.297 17579 3804 1 6 . 1 1 111 111 PHE H H 146 8.536 8.536 8.614 -0.078 17579 3805 1 6 . 1 1 112 112 ASN N N 147 117.908 117.908 117.248 0.660 17579 3806 1 6 . 1 1 112 112 ASN HA H 147 4.252 4.252 4.165 0.087 17579 3807 1 6 . 1 1 112 112 ASN C C 147 178.315 178.315 177.437 0.878 17579 3808 1 6 . 1 1 112 112 ASN CA C 147 56.226 56.226 56.503 -0.277 17579 3809 1 6 . 1 1 112 112 ASN CB C 147 37.990 37.990 38.362 -0.372 17579 3810 1 6 . 1 1 112 112 ASN H H 147 8.795 8.795 8.656 0.139 17579 3811 1 6 . 1 1 113 113 GLU N N 148 119.868 119.868 119.631 0.237 17579 3812 1 6 . 1 1 113 113 GLU HA H 148 4.024 4.024 4.026 -0.002 17579 3813 1 6 . 1 1 113 113 GLU C C 148 179.410 179.410 178.847 0.563 17579 3814 1 6 . 1 1 113 113 GLU CA C 148 59.710 59.710 59.493 0.217 17579 3815 1 6 . 1 1 113 113 GLU CB C 148 30.063 30.063 29.710 0.353 17579 3816 1 6 . 1 1 113 113 GLU H H 148 7.764 7.764 7.827 -0.063 17579 3817 1 6 . 1 1 114 114 VAL N N 149 119.684 119.684 117.775 1.909 17579 3818 1 6 . 1 1 114 114 VAL HA H 149 3.544 3.544 4.019 -0.475 17579 3819 1 6 . 1 1 114 114 VAL C C 149 177.613 177.613 178.547 -0.934 17579 3820 1 6 . 1 1 114 114 VAL CA C 149 66.977 66.977 65.627 1.350 17579 3821 1 6 . 1 1 114 114 VAL CB C 149 30.605 30.605 31.504 -0.899 17579 3822 1 6 . 1 1 114 114 VAL H H 149 7.973 7.973 8.044 -0.071 17579 3823 1 6 . 1 1 115 115 VAL N N 150 119.782 119.782 120.447 -0.665 17579 3824 1 6 . 1 1 115 115 VAL HA H 150 3.164 3.164 3.482 -0.318 17579 3825 1 6 . 1 1 115 115 VAL C C 150 177.499 177.499 178.194 -0.695 17579 3826 1 6 . 1 1 115 115 VAL CA C 150 68.301 68.301 66.392 1.909 17579 3827 1 6 . 1 1 115 115 VAL CB C 150 31.483 31.483 30.301 1.182 17579 3828 1 6 . 1 1 115 115 VAL H H 150 8.452 8.452 8.454 -0.002 17579 3829 1 6 . 1 1 116 116 LYS N N 151 118.842 118.842 119.532 -0.690 17579 3830 1 6 . 1 1 116 116 LYS HA H 151 4.024 4.024 3.935 0.089 17579 3831 1 6 . 1 1 116 116 LYS C C 151 179.862 179.862 179.366 0.496 17579 3832 1 6 . 1 1 116 116 LYS CA C 151 59.947 59.947 59.399 0.548 17579 3833 1 6 . 1 1 116 116 LYS CB C 151 32.481 32.481 31.961 0.520 17579 3834 1 6 . 1 1 116 116 LYS H H 151 7.595 7.595 7.914 -0.319 17579 3835 1 6 . 1 1 117 117 GLU N N 152 120.243 120.243 120.265 -0.022 17579 3836 1 6 . 1 1 117 117 GLU HA H 152 4.052 4.052 4.096 -0.044 17579 3837 1 6 . 1 1 117 117 GLU C C 152 179.528 179.528 179.038 0.490 17579 3838 1 6 . 1 1 117 117 GLU CA C 152 60.178 60.178 59.357 0.821 17579 3839 1 6 . 1 1 117 117 GLU CB C 152 29.949 29.949 29.739 0.210 17579 3840 1 6 . 1 1 117 117 GLU H H 152 7.513 7.513 7.950 -0.437 17579 3841 1 6 . 1 1 118 118 VAL N N 153 120.596 120.596 119.085 1.511 17579 3842 1 6 . 1 1 118 118 VAL HA H 153 3.464 3.464 3.724 -0.260 17579 3843 1 6 . 1 1 118 118 VAL C C 153 177.984 177.984 177.169 0.815 17579 3844 1 6 . 1 1 118 118 VAL CA C 153 68.047 68.047 65.181 2.866 17579 3845 1 6 . 1 1 118 118 VAL CB C 153 32.056 32.056 31.727 0.329 17579 3846 1 6 . 1 1 118 118 VAL H H 153 8.649 8.649 7.915 0.734 17579 3847 1 6 . 1 1 119 119 GLN N N 154 118.317 118.317 118.712 -0.395 17579 3848 1 6 . 1 1 119 119 GLN HA H 154 3.986 3.986 4.177 -0.191 17579 3849 1 6 . 1 1 119 119 GLN C C 154 178.984 178.984 176.972 2.012 17579 3850 1 6 . 1 1 119 119 GLN CA C 154 59.716 59.716 58.035 1.681 17579 3851 1 6 . 1 1 119 119 GLN CB C 154 28.261 28.261 29.400 -1.139 17579 3852 1 6 . 1 1 119 119 GLN H H 154 8.947 8.947 7.992 0.955 17579 3853 1 6 . 1 1 120 120 ALA N N 155 120.688 120.688 121.610 -0.922 17579 3854 1 6 . 1 1 120 120 ALA HA H 155 3.484 3.484 4.209 -0.725 17579 3855 1 6 . 1 1 120 120 ALA C C 155 180.759 180.759 178.038 2.721 17579 3856 1 6 . 1 1 120 120 ALA CA C 155 55.257 55.257 53.890 1.367 17579 3857 1 6 . 1 1 120 120 ALA CB C 155 18.446 18.446 19.355 -0.909 17579 3858 1 6 . 1 1 120 120 ALA H H 155 7.494 7.494 7.660 -0.166 17579 3859 1 7 . 1 1 2 2 LYS N N 37 124.936 124.936 123.620 1.316 17579 3860 1 7 . 1 1 2 2 LYS HA H 37 4.053 4.053 4.076 -0.023 17579 3861 1 7 . 1 1 2 2 LYS C C 37 172.929 172.929 177.871 -4.942 17579 3862 1 7 . 1 1 2 2 LYS CA C 37 60.975 60.975 58.843 2.131 17579 3863 1 7 . 1 1 2 2 LYS CB C 37 32.607 32.607 32.106 0.501 17579 3864 1 7 . 1 1 2 2 LYS H H 37 7.564 7.564 8.519 -0.955 17579 3865 1 7 . 1 1 3 3 LYS N N 38 118.300 118.300 118.727 -0.427 17579 3866 1 7 . 1 1 3 3 LYS HA H 38 4.045 4.045 4.016 0.029 17579 3867 1 7 . 1 1 3 3 LYS C C 38 179.361 179.361 178.366 0.995 17579 3868 1 7 . 1 1 3 3 LYS CA C 38 59.930 59.930 58.719 1.211 17579 3869 1 7 . 1 1 3 3 LYS CB C 38 32.885 32.885 31.713 1.172 17579 3870 1 7 . 1 1 3 3 LYS H H 38 8.234 8.234 8.143 0.091 17579 3871 1 7 . 1 1 4 4 LEU N N 39 122.081 122.081 120.919 1.162 17579 3872 1 7 . 1 1 4 4 LEU HA H 39 4.135 4.135 3.832 0.303 17579 3873 1 7 . 1 1 4 4 LEU C C 39 178.433 178.433 178.208 0.225 17579 3874 1 7 . 1 1 4 4 LEU CA C 39 57.726 57.726 59.034 -1.308 17579 3875 1 7 . 1 1 4 4 LEU CB C 39 40.588 40.588 41.587 -0.999 17579 3876 1 7 . 1 1 4 4 LEU H H 39 7.856 7.856 7.921 -0.065 17579 3877 1 7 . 1 1 5 5 ASN N N 40 118.758 118.758 115.605 3.153 17579 3878 1 7 . 1 1 5 5 ASN HA H 40 3.994 3.994 4.191 -0.197 17579 3879 1 7 . 1 1 5 5 ASN C C 40 176.246 176.246 177.217 -0.971 17579 3880 1 7 . 1 1 5 5 ASN CA C 40 57.843 57.843 56.598 1.245 17579 3881 1 7 . 1 1 5 5 ASN CB C 40 40.430 40.430 38.180 2.250 17579 3882 1 7 . 1 1 5 5 ASN H H 40 9.241 9.241 7.802 1.439 17579 3883 1 7 . 1 1 6 6 LYS N N 41 115.665 115.665 120.132 -4.467 17579 3884 1 7 . 1 1 6 6 LYS HA H 41 3.929 3.929 3.843 0.086 17579 3885 1 7 . 1 1 6 6 LYS C C 41 179.318 179.318 179.173 0.145 17579 3886 1 7 . 1 1 6 6 LYS CA C 41 60.130 60.130 59.834 0.296 17579 3887 1 7 . 1 1 6 6 LYS CB C 41 32.580 32.580 32.390 0.190 17579 3888 1 7 . 1 1 6 6 LYS H H 41 7.239 7.239 7.604 -0.365 17579 3889 1 7 . 1 1 7 7 LYS N N 42 119.038 119.038 119.026 0.012 17579 3890 1 7 . 1 1 7 7 LYS HA H 42 4.037 4.037 3.995 0.042 17579 3891 1 7 . 1 1 7 7 LYS C C 42 180.428 180.428 179.087 1.341 17579 3892 1 7 . 1 1 7 7 LYS CA C 42 60.178 60.178 59.257 0.921 17579 3893 1 7 . 1 1 7 7 LYS CB C 42 33.670 33.670 32.206 1.464 17579 3894 1 7 . 1 1 7 7 LYS H H 42 7.358 7.358 8.007 -0.649 17579 3895 1 7 . 1 1 8 8 VAL N N 43 122.489 122.489 119.448 3.041 17579 3896 1 7 . 1 1 8 8 VAL HA H 43 3.263 3.263 3.837 -0.574 17579 3897 1 7 . 1 1 8 8 VAL C C 43 177.823 177.823 178.678 -0.855 17579 3898 1 7 . 1 1 8 8 VAL CA C 43 67.836 67.836 65.531 2.305 17579 3899 1 7 . 1 1 8 8 VAL CB C 43 31.523 31.523 30.832 0.691 17579 3900 1 7 . 1 1 8 8 VAL H H 43 9.167 9.167 8.338 0.829 17579 3901 1 7 . 1 1 9 9 LEU N N 44 119.740 119.740 119.189 0.551 17579 3902 1 7 . 1 1 9 9 LEU HA H 44 3.964 3.964 4.041 -0.077 17579 3903 1 7 . 1 1 9 9 LEU C C 44 179.700 179.700 178.996 0.704 17579 3904 1 7 . 1 1 9 9 LEU CA C 44 58.742 58.742 58.470 0.272 17579 3905 1 7 . 1 1 9 9 LEU CB C 44 41.239 41.239 41.139 0.100 17579 3906 1 7 . 1 1 9 9 LEU H H 44 8.437 8.437 8.556 -0.119 17579 3907 1 7 . 1 1 10 10 LYS N N 45 119.832 119.832 119.274 0.558 17579 3908 1 7 . 1 1 10 10 LYS HA H 45 4.013 4.013 4.122 -0.109 17579 3909 1 7 . 1 1 10 10 LYS C C 45 178.847 178.847 179.030 -0.183 17579 3910 1 7 . 1 1 10 10 LYS CA C 45 60.146 60.146 59.350 0.796 17579 3911 1 7 . 1 1 10 10 LYS CB C 45 32.583 32.583 31.960 0.622 17579 3912 1 7 . 1 1 10 10 LYS H H 45 7.857 7.857 8.198 -0.341 17579 3913 1 7 . 1 1 11 11 THR N N 46 116.695 116.695 117.521 -0.826 17579 3914 1 7 . 1 1 11 11 THR HA H 46 4.327 4.327 4.106 0.221 17579 3915 1 7 . 1 1 11 11 THR C C 46 176.211 176.211 176.613 -0.402 17579 3916 1 7 . 1 1 11 11 THR CA C 46 68.237 68.237 66.587 1.650 17579 3917 1 7 . 1 1 11 11 THR CB C 46 68.312 68.312 68.524 -0.212 17579 3918 1 7 . 1 1 11 11 THR H H 46 7.796 7.796 8.291 -0.495 17579 3919 1 7 . 1 1 12 12 VAL N N 47 122.013 122.013 121.865 0.148 17579 3920 1 7 . 1 1 12 12 VAL HA H 47 3.235 3.235 3.638 -0.403 17579 3921 1 7 . 1 1 12 12 VAL C C 47 177.909 177.909 176.919 0.990 17579 3922 1 7 . 1 1 12 12 VAL CA C 47 67.838 67.838 65.964 1.874 17579 3923 1 7 . 1 1 12 12 VAL CB C 47 31.706 31.706 31.861 -0.155 17579 3924 1 7 . 1 1 12 12 VAL H H 47 8.762 8.762 8.049 0.713 17579 3925 1 7 . 1 1 13 13 LYS N N 48 118.035 118.035 118.919 -0.884 17579 3926 1 7 . 1 1 13 13 LYS HA H 48 3.828 3.828 4.040 -0.212 17579 3927 1 7 . 1 1 13 13 LYS CA C 48 59.960 59.960 58.317 1.643 17579 3928 1 7 . 1 1 13 13 LYS CB C 48 32.837 32.837 31.891 0.946 17579 3929 1 7 . 1 1 13 13 LYS H H 48 7.492 7.492 7.882 -0.390 17579 3930 1 7 . 1 1 14 14 LYS N N 49 120.565 120.565 117.460 3.105 17579 3931 1 7 . 1 1 14 14 LYS HA H 49 3.952 3.952 4.124 -0.172 17579 3932 1 7 . 1 1 14 14 LYS C C 49 179.608 179.608 178.993 0.615 17579 3933 1 7 . 1 1 14 14 LYS CA C 49 59.950 59.950 58.596 1.354 17579 3934 1 7 . 1 1 14 14 LYS CB C 49 33.723 33.723 32.724 1.000 17579 3935 1 7 . 1 1 14 14 LYS H H 49 7.498 7.498 7.831 -0.333 17579 3936 1 7 . 1 1 15 15 ALA N N 50 122.192 122.192 121.217 0.975 17579 3937 1 7 . 1 1 15 15 ALA HA H 50 3.467 3.467 3.944 -0.477 17579 3938 1 7 . 1 1 15 15 ALA C C 50 179.970 179.970 179.136 0.834 17579 3939 1 7 . 1 1 15 15 ALA CA C 50 54.950 54.950 53.942 1.008 17579 3940 1 7 . 1 1 15 15 ALA CB C 50 19.270 19.270 17.497 1.773 17579 3941 1 7 . 1 1 15 15 ALA H H 50 8.529 8.529 7.871 0.658 17579 3942 1 7 . 1 1 16 16 SER N N 51 116.624 116.624 113.698 2.926 17579 3943 1 7 . 1 1 16 16 SER HA H 51 4.696 4.696 4.090 0.606 17579 3944 1 7 . 1 1 16 16 SER C C 51 178.705 178.705 176.357 2.348 17579 3945 1 7 . 1 1 16 16 SER CA C 51 62.206 62.206 61.227 0.979 17579 3946 1 7 . 1 1 16 16 SER CB C 51 62.918 62.918 63.007 -0.089 17579 3947 1 7 . 1 1 16 16 SER H H 51 8.542 8.542 8.039 0.503 17579 3948 1 7 . 1 1 17 17 LYS N N 52 124.866 124.866 119.614 5.252 17579 3949 1 7 . 1 1 17 17 LYS HA H 52 4.051 4.051 4.166 -0.115 17579 3950 1 7 . 1 1 17 17 LYS C C 52 177.563 177.563 176.991 0.572 17579 3951 1 7 . 1 1 17 17 LYS CA C 52 59.290 59.290 57.507 1.783 17579 3952 1 7 . 1 1 17 17 LYS CB C 52 32.104 32.104 32.568 -0.464 17579 3953 1 7 . 1 1 17 17 LYS H H 52 7.553 7.553 7.391 0.162 17579 3954 1 7 . 1 1 18 18 ALA N N 53 118.801 118.801 120.040 -1.239 17579 3955 1 7 . 1 1 18 18 ALA HA H 53 4.280 4.280 4.356 -0.076 17579 3956 1 7 . 1 1 18 18 ALA C C 53 175.253 175.253 177.118 -1.865 17579 3957 1 7 . 1 1 18 18 ALA CA C 53 52.222 52.222 51.961 0.261 17579 3958 1 7 . 1 1 18 18 ALA CB C 53 19.566 19.566 19.109 0.457 17579 3959 1 7 . 1 1 18 18 ALA H H 53 7.092 7.092 7.550 -0.458 17579 3960 1 7 . 1 1 19 19 LYS N N 54 112.119 112.119 116.352 -4.233 17579 3961 1 7 . 1 1 19 19 LYS HA H 54 4.027 4.027 3.902 0.125 17579 3962 1 7 . 1 1 19 19 LYS C C 54 177.191 177.191 175.494 1.697 17579 3963 1 7 . 1 1 19 19 LYS CA C 54 57.435 57.435 56.989 0.446 17579 3964 1 7 . 1 1 19 19 LYS CB C 54 28.420 28.420 30.175 -1.755 17579 3965 1 7 . 1 1 19 19 LYS H H 54 7.644 7.644 7.697 -0.053 17579 3966 1 7 . 1 1 20 20 ASN N N 55 116.236 116.236 116.757 -0.521 17579 3967 1 7 . 1 1 20 20 ASN HA H 55 5.090 5.090 4.746 0.344 17579 3968 1 7 . 1 1 20 20 ASN C C 55 173.176 173.176 174.911 -1.735 17579 3969 1 7 . 1 1 20 20 ASN CA C 55 51.617 51.617 54.359 -2.742 17579 3970 1 7 . 1 1 20 20 ASN CB C 55 40.642 40.642 40.281 0.361 17579 3971 1 7 . 1 1 20 20 ASN H H 55 8.099 8.099 7.956 0.143 17579 3972 1 7 . 1 1 21 21 VAL N N 56 115.268 115.268 119.513 -4.245 17579 3973 1 7 . 1 1 21 21 VAL HA H 56 4.864 4.864 4.086 0.778 17579 3974 1 7 . 1 1 21 21 VAL C C 56 175.526 175.526 174.804 0.722 17579 3975 1 7 . 1 1 21 21 VAL CA C 56 61.314 61.314 62.743 -1.429 17579 3976 1 7 . 1 1 21 21 VAL CB C 56 35.532 35.532 32.342 3.190 17579 3977 1 7 . 1 1 21 21 VAL H H 56 7.621 7.621 7.952 -0.331 17579 3978 1 7 . 1 1 22 22 LYS N N 57 126.903 126.903 129.862 -2.959 17579 3979 1 7 . 1 1 22 22 LYS HA H 57 4.682 4.682 4.694 -0.012 17579 3980 1 7 . 1 1 22 22 LYS C C 57 175.564 175.564 175.125 0.439 17579 3981 1 7 . 1 1 22 22 LYS CA C 57 54.694 54.694 54.161 0.533 17579 3982 1 7 . 1 1 22 22 LYS CB C 57 33.975 33.975 33.422 0.553 17579 3983 1 7 . 1 1 22 22 LYS H H 57 9.006 9.006 8.378 0.628 17579 3984 1 7 . 1 1 23 23 ARG N N 58 122.053 122.053 123.473 -1.420 17579 3985 1 7 . 1 1 23 23 ARG HA H 58 4.850 4.850 4.555 0.295 17579 3986 1 7 . 1 1 23 23 ARG C C 58 176.136 176.136 176.590 -0.454 17579 3987 1 7 . 1 1 23 23 ARG CA C 58 56.100 56.100 55.015 1.085 17579 3988 1 7 . 1 1 23 23 ARG CB C 58 33.752 33.752 31.698 2.054 17579 3989 1 7 . 1 1 23 23 ARG H H 58 8.994 8.994 8.900 0.094 17579 3990 1 7 . 1 1 24 24 GLY N N 59 110.836 110.836 108.743 2.093 17579 3991 1 7 . 1 1 24 24 GLY C C 59 173.053 173.053 174.149 -1.096 17579 3992 1 7 . 1 1 24 24 GLY CA C 59 45.028 45.028 44.391 0.637 17579 3993 1 7 . 1 1 24 24 GLY H H 59 8.205 8.205 8.367 -0.162 17579 3994 1 7 . 1 1 25 25 VAL N N 60 119.573 119.573 121.864 -2.291 17579 3995 1 7 . 1 1 25 25 VAL HA H 60 4.117 4.117 3.841 0.276 17579 3996 1 7 . 1 1 25 25 VAL C C 60 176.366 176.366 177.242 -0.876 17579 3997 1 7 . 1 1 25 25 VAL CA C 60 67.542 67.542 64.999 2.543 17579 3998 1 7 . 1 1 25 25 VAL CB C 60 32.147 32.147 31.863 0.283 17579 3999 1 7 . 1 1 25 25 VAL H H 60 8.219 8.219 8.560 -0.341 17579 4000 1 7 . 1 1 26 26 LYS N N 61 117.987 117.987 119.075 -1.088 17579 4001 1 7 . 1 1 26 26 LYS HA H 61 3.896 3.896 4.106 -0.210 17579 4002 1 7 . 1 1 26 26 LYS C C 61 180.230 180.230 178.652 1.578 17579 4003 1 7 . 1 1 26 26 LYS CA C 61 60.492 60.492 59.669 0.823 17579 4004 1 7 . 1 1 26 26 LYS CB C 61 32.356 32.356 32.116 0.240 17579 4005 1 7 . 1 1 26 26 LYS H H 61 8.112 8.112 8.394 -0.282 17579 4006 1 7 . 1 1 27 27 GLU N N 62 117.610 117.610 119.053 -1.443 17579 4007 1 7 . 1 1 27 27 GLU HA H 62 3.937 3.937 4.140 -0.203 17579 4008 1 7 . 1 1 27 27 GLU C C 62 180.103 180.103 179.263 0.840 17579 4009 1 7 . 1 1 27 27 GLU CA C 62 59.119 59.119 59.230 -0.111 17579 4010 1 7 . 1 1 27 27 GLU CB C 62 30.052 30.052 29.173 0.879 17579 4011 1 7 . 1 1 27 27 GLU H H 62 8.493 8.493 8.137 0.356 17579 4012 1 7 . 1 1 28 28 VAL N N 63 120.585 120.585 117.661 2.924 17579 4013 1 7 . 1 1 28 28 VAL HA H 63 3.478 3.478 4.070 -0.592 17579 4014 1 7 . 1 1 28 28 VAL C C 63 176.970 176.970 177.990 -1.020 17579 4015 1 7 . 1 1 28 28 VAL CA C 63 68.197 68.197 66.687 1.510 17579 4016 1 7 . 1 1 28 28 VAL CB C 63 31.632 31.632 31.354 0.278 17579 4017 1 7 . 1 1 28 28 VAL H H 63 8.241 8.241 8.360 -0.119 17579 4018 1 7 . 1 1 29 29 VAL N N 64 118.622 118.622 120.981 -2.359 17579 4019 1 7 . 1 1 29 29 VAL HA H 64 3.333 3.333 3.782 -0.449 17579 4020 1 7 . 1 1 29 29 VAL C C 64 177.709 177.709 177.923 -0.214 17579 4021 1 7 . 1 1 29 29 VAL CA C 64 67.751 67.751 65.773 1.978 17579 4022 1 7 . 1 1 29 29 VAL CB C 64 31.553 31.553 31.276 0.277 17579 4023 1 7 . 1 1 29 29 VAL H H 64 8.510 8.510 8.147 0.363 17579 4024 1 7 . 1 1 30 30 LYS N N 65 118.138 118.138 119.644 -1.506 17579 4025 1 7 . 1 1 30 30 LYS HA H 65 3.855 3.855 4.026 -0.171 17579 4026 1 7 . 1 1 30 30 LYS C C 65 178.693 178.693 178.681 0.012 17579 4027 1 7 . 1 1 30 30 LYS CA C 65 59.986 59.986 59.772 0.214 17579 4028 1 7 . 1 1 30 30 LYS CB C 65 32.800 32.800 32.266 0.534 17579 4029 1 7 . 1 1 30 30 LYS H H 65 7.533 7.533 8.010 -0.477 17579 4030 1 7 . 1 1 31 31 ALA N N 66 120.585 120.585 121.751 -1.166 17579 4031 1 7 . 1 1 31 31 ALA HA H 66 4.049 4.049 4.120 -0.071 17579 4032 1 7 . 1 1 31 31 ALA C C 66 179.745 179.745 178.843 0.902 17579 4033 1 7 . 1 1 31 31 ALA CA C 66 55.288 55.288 54.517 0.771 17579 4034 1 7 . 1 1 31 31 ALA CB C 66 19.207 19.207 18.384 0.823 17579 4035 1 7 . 1 1 31 31 ALA H H 66 7.489 7.489 8.030 -0.541 17579 4036 1 7 . 1 1 32 32 LEU N N 67 119.402 119.402 116.194 3.208 17579 4037 1 7 . 1 1 32 32 LEU HA H 67 3.976 3.976 4.140 -0.164 17579 4038 1 7 . 1 1 32 32 LEU C C 67 180.917 180.917 178.442 2.475 17579 4039 1 7 . 1 1 32 32 LEU CA C 67 58.115 58.115 57.000 1.115 17579 4040 1 7 . 1 1 32 32 LEU CB C 67 42.554 42.554 41.876 0.678 17579 4041 1 7 . 1 1 32 32 LEU H H 67 8.332 8.332 7.539 0.793 17579 4042 1 7 . 1 1 33 33 ARG N N 68 116.408 116.408 120.162 -3.754 17579 4043 1 7 . 1 1 33 33 ARG HA H 68 3.787 3.787 4.107 -0.320 17579 4044 1 7 . 1 1 33 33 ARG C C 68 178.472 178.472 177.919 0.553 17579 4045 1 7 . 1 1 33 33 ARG CA C 68 59.581 59.581 58.474 1.107 17579 4046 1 7 . 1 1 33 33 ARG CB C 68 29.946 29.946 30.389 -0.443 17579 4047 1 7 . 1 1 33 33 ARG H H 68 8.147 8.147 7.896 0.251 17579 4048 1 7 . 1 1 34 34 LYS N N 69 117.866 117.866 117.374 0.492 17579 4049 1 7 . 1 1 34 34 LYS HA H 69 4.232 4.232 4.192 0.040 17579 4050 1 7 . 1 1 34 34 LYS C C 69 177.005 177.005 176.962 0.043 17579 4051 1 7 . 1 1 34 34 LYS CA C 69 56.788 56.788 57.135 -0.347 17579 4052 1 7 . 1 1 34 34 LYS CB C 69 33.008 33.008 32.562 0.446 17579 4053 1 7 . 1 1 34 34 LYS H H 69 7.606 7.606 8.044 -0.438 17579 4054 1 7 . 1 1 35 35 GLY N N 70 106.799 106.799 104.485 2.314 17579 4055 1 7 . 1 1 35 35 GLY C C 70 175.547 175.547 174.389 1.158 17579 4056 1 7 . 1 1 35 35 GLY CA C 70 45.969 45.969 44.935 1.034 17579 4057 1 7 . 1 1 35 35 GLY H H 70 7.678 7.678 7.769 -0.091 17579 4058 1 7 . 1 1 36 36 GLU N N 71 119.492 119.492 122.554 -3.062 17579 4059 1 7 . 1 1 36 36 GLU HA H 71 4.199 4.199 4.301 -0.102 17579 4060 1 7 . 1 1 36 36 GLU C C 71 175.625 175.625 175.189 0.436 17579 4061 1 7 . 1 1 36 36 GLU CA C 71 57.696 57.696 55.684 2.012 17579 4062 1 7 . 1 1 36 36 GLU CB C 71 29.620 29.620 28.741 0.879 17579 4063 1 7 . 1 1 36 36 GLU H H 71 7.686 7.686 8.491 -0.805 17579 4064 1 7 . 1 1 37 37 LYS N N 72 118.433 118.433 121.378 -2.945 17579 4065 1 7 . 1 1 37 37 LYS HA H 72 4.863 4.863 4.375 0.488 17579 4066 1 7 . 1 1 37 37 LYS C C 72 175.983 175.983 176.004 -0.021 17579 4067 1 7 . 1 1 37 37 LYS CA C 72 54.299 54.299 54.235 0.064 17579 4068 1 7 . 1 1 37 37 LYS CB C 72 35.140 35.140 33.729 1.411 17579 4069 1 7 . 1 1 37 37 LYS H H 72 8.202 8.202 7.588 0.614 17579 4070 1 7 . 1 1 38 38 GLY N N 73 104.719 104.719 107.452 -2.733 17579 4071 1 7 . 1 1 38 38 GLY C C 73 172.071 172.071 173.261 -1.190 17579 4072 1 7 . 1 1 38 38 GLY CA C 73 46.798 46.798 45.807 0.991 17579 4073 1 7 . 1 1 38 38 GLY H H 73 7.214 7.214 8.848 -1.634 17579 4074 1 7 . 1 1 39 39 LEU N N 74 125.471 125.471 122.785 2.686 17579 4075 1 7 . 1 1 39 39 LEU HA H 74 4.992 4.992 4.988 0.004 17579 4076 1 7 . 1 1 39 39 LEU C C 74 174.651 174.651 174.739 -0.088 17579 4077 1 7 . 1 1 39 39 LEU CA C 74 54.686 54.686 54.953 -0.266 17579 4078 1 7 . 1 1 39 39 LEU CB C 74 47.360 47.360 46.070 1.290 17579 4079 1 7 . 1 1 39 39 LEU H H 74 8.930 8.930 8.206 0.724 17579 4080 1 7 . 1 1 40 40 VAL N N 75 130.975 130.975 127.853 3.122 17579 4081 1 7 . 1 1 40 40 VAL HA H 75 4.649 4.649 3.917 0.732 17579 4082 1 7 . 1 1 40 40 VAL C C 75 173.868 173.868 175.600 -1.732 17579 4083 1 7 . 1 1 40 40 VAL CA C 75 62.513 62.513 60.554 1.959 17579 4084 1 7 . 1 1 40 40 VAL CB C 75 32.856 32.856 30.238 2.619 17579 4085 1 7 . 1 1 40 40 VAL H H 75 8.549 8.549 8.865 -0.316 17579 4086 1 7 . 1 1 41 41 VAL N N 76 127.452 127.452 129.762 -2.310 17579 4087 1 7 . 1 1 41 41 VAL HA H 76 4.645 4.645 4.270 0.375 17579 4088 1 7 . 1 1 41 41 VAL C C 76 173.931 173.931 175.227 -1.296 17579 4089 1 7 . 1 1 41 41 VAL CA C 76 61.015 61.015 62.967 -1.952 17579 4090 1 7 . 1 1 41 41 VAL CB C 76 33.844 33.844 31.593 2.251 17579 4091 1 7 . 1 1 41 41 VAL H H 76 8.754 8.754 8.454 0.300 17579 4092 1 7 . 1 1 42 42 ILE N N 77 126.301 126.301 128.128 -1.827 17579 4093 1 7 . 1 1 42 42 ILE HA H 77 4.455 4.455 5.211 -0.756 17579 4094 1 7 . 1 1 42 42 ILE C C 77 174.965 174.965 174.972 -0.007 17579 4095 1 7 . 1 1 42 42 ILE CA C 77 59.842 59.842 57.684 2.158 17579 4096 1 7 . 1 1 42 42 ILE CB C 77 40.257 40.257 40.923 -0.666 17579 4097 1 7 . 1 1 42 42 ILE H H 77 8.530 8.530 8.789 -0.259 17579 4098 1 7 . 1 1 43 43 ALA N N 78 128.716 128.716 129.667 -0.951 17579 4099 1 7 . 1 1 43 43 ALA HA H 78 4.469 4.469 4.877 -0.408 17579 4100 1 7 . 1 1 43 43 ALA C C 78 177.979 177.979 179.097 -1.118 17579 4101 1 7 . 1 1 43 43 ALA CA C 78 52.398 52.398 50.971 1.427 17579 4102 1 7 . 1 1 43 43 ALA CB C 78 19.600 19.600 18.906 0.694 17579 4103 1 7 . 1 1 43 43 ALA H H 78 8.538 8.538 8.301 0.237 17579 4104 1 7 . 1 1 44 44 GLY N N 79 104.343 104.343 111.858 -7.515 17579 4105 1 7 . 1 1 44 44 GLY C C 79 173.472 173.472 174.577 -1.105 17579 4106 1 7 . 1 1 44 44 GLY CA C 79 46.239 46.239 47.097 -0.858 17579 4107 1 7 . 1 1 44 44 GLY H H 79 9.090 9.090 8.408 0.682 17579 4108 1 7 . 1 1 45 45 ASP N N 80 118.154 118.154 118.942 -0.788 17579 4109 1 7 . 1 1 45 45 ASP HA H 80 4.855 4.855 4.759 0.096 17579 4110 1 7 . 1 1 45 45 ASP C C 80 176.500 176.500 175.445 1.055 17579 4111 1 7 . 1 1 45 45 ASP CA C 80 52.804 52.804 55.076 -2.272 17579 4112 1 7 . 1 1 45 45 ASP CB C 80 39.410 39.410 42.488 -3.078 17579 4113 1 7 . 1 1 45 45 ASP H H 80 8.603 8.603 8.655 -0.052 17579 4114 1 7 . 1 1 46 46 ILE N N 81 118.477 118.477 119.811 -1.334 17579 4115 1 7 . 1 1 46 46 ILE HA H 81 4.073 4.073 4.337 -0.264 17579 4116 1 7 . 1 1 46 46 ILE C C 81 173.822 173.822 173.617 0.205 17579 4117 1 7 . 1 1 46 46 ILE CA C 81 59.882 59.882 60.787 -0.905 17579 4118 1 7 . 1 1 46 46 ILE CB C 81 39.136 39.136 40.895 -1.759 17579 4119 1 7 . 1 1 46 46 ILE H H 81 6.846 6.846 7.502 -0.656 17579 4120 1 7 . 1 1 47 47 SER N N 82 117.552 117.552 120.787 -3.235 17579 4121 1 7 . 1 1 47 47 SER HA H 82 4.628 4.628 4.723 -0.095 17579 4122 1 7 . 1 1 47 47 SER C C 82 176.920 176.920 172.336 4.584 17579 4123 1 7 . 1 1 47 47 SER CA C 82 55.444 55.444 55.770 -0.326 17579 4124 1 7 . 1 1 47 47 SER CB C 82 65.268 65.268 65.105 0.163 17579 4125 1 7 . 1 1 47 47 SER H H 82 7.774 7.774 8.229 -0.455 17579 4126 1 7 . 1 1 48 48 PRO HA H 83 4.259 4.259 4.554 -0.295 17579 4127 1 7 . 1 1 48 48 PRO CA C 83 62.312 62.312 62.644 -0.332 17579 4128 1 7 . 1 1 48 48 PRO CB C 83 30.564 30.564 32.128 -1.564 17579 4129 1 7 . 1 1 49 49 ALA N N 84 122.207 122.207 120.513 1.694 17579 4130 1 7 . 1 1 49 49 ALA HA H 84 3.978 3.978 4.271 -0.293 17579 4131 1 7 . 1 1 49 49 ALA C C 84 178.699 178.699 177.862 0.837 17579 4132 1 7 . 1 1 49 49 ALA CA C 84 54.704 54.704 53.371 1.333 17579 4133 1 7 . 1 1 49 49 ALA CB C 84 19.393 19.393 18.821 0.572 17579 4134 1 7 . 1 1 49 49 ALA H H 84 8.091 8.091 8.293 -0.202 17579 4135 1 7 . 1 1 50 50 ASP N N 85 113.440 113.440 119.861 -6.421 17579 4136 1 7 . 1 1 50 50 ASP HA H 85 4.338 4.338 4.571 -0.233 17579 4137 1 7 . 1 1 50 50 ASP C C 85 177.723 177.723 178.246 -0.523 17579 4138 1 7 . 1 1 50 50 ASP CA C 85 56.203 56.203 55.833 0.370 17579 4139 1 7 . 1 1 50 50 ASP CB C 85 40.562 40.562 40.898 -0.336 17579 4140 1 7 . 1 1 50 50 ASP H H 85 8.148 8.148 8.368 -0.220 17579 4141 1 7 . 1 1 51 51 VAL N N 86 116.604 116.604 120.808 -4.204 17579 4142 1 7 . 1 1 51 51 VAL HA H 86 3.925 3.925 3.722 0.203 17579 4143 1 7 . 1 1 51 51 VAL C C 86 176.966 176.966 176.768 0.198 17579 4144 1 7 . 1 1 51 51 VAL CA C 86 65.241 65.241 65.391 -0.150 17579 4145 1 7 . 1 1 51 51 VAL CB C 86 32.467 32.467 31.875 0.592 17579 4146 1 7 . 1 1 51 51 VAL H H 86 7.538 7.538 8.061 -0.523 17579 4147 1 7 . 1 1 52 52 ILE N N 87 108.211 108.211 118.495 -10.284 17579 4148 1 7 . 1 1 52 52 ILE HA H 87 4.565 4.565 3.895 0.670 17579 4149 1 7 . 1 1 52 52 ILE C C 87 178.116 178.116 177.112 1.004 17579 4150 1 7 . 1 1 52 52 ILE CA C 87 60.165 60.165 63.108 -2.943 17579 4151 1 7 . 1 1 52 52 ILE CB C 87 41.048 41.048 36.227 4.821 17579 4152 1 7 . 1 1 52 52 ILE H H 87 7.283 7.283 8.070 -0.787 17579 4153 1 7 . 1 1 53 53 SER N N 88 116.088 116.088 115.193 0.895 17579 4154 1 7 . 1 1 53 53 SER HA H 88 4.538 4.538 4.486 0.052 17579 4155 1 7 . 1 1 53 53 SER CA C 88 61.852 61.852 60.345 1.507 17579 4156 1 7 . 1 1 53 53 SER CB C 88 62.604 62.604 64.341 -1.737 17579 4157 1 7 . 1 1 53 53 SER H H 88 7.845 7.845 8.180 -0.335 17579 4158 1 7 . 1 1 54 54 HIS N N 89 121.004 121.004 121.616 -0.612 17579 4159 1 7 . 1 1 54 54 HIS HA H 89 4.590 4.590 4.445 0.145 17579 4160 1 7 . 1 1 54 54 HIS C C 89 176.530 176.530 177.474 -0.944 17579 4161 1 7 . 1 1 54 54 HIS CA C 89 56.554 56.554 59.257 -2.703 17579 4162 1 7 . 1 1 54 54 HIS CB C 89 33.261 33.261 30.517 2.744 17579 4163 1 7 . 1 1 54 54 HIS H H 89 8.450 8.450 8.566 -0.116 17579 4164 1 7 . 1 1 55 55 ILE N N 90 123.909 123.909 121.489 2.420 17579 4165 1 7 . 1 1 55 55 ILE HA H 90 4.583 4.583 3.719 0.864 17579 4166 1 7 . 1 1 55 55 ILE CA C 90 62.230 62.230 66.285 -4.056 17579 4167 1 7 . 1 1 55 55 ILE CB C 90 42.418 42.418 34.787 7.631 17579 4168 1 7 . 1 1 55 55 ILE H H 90 8.142 8.142 8.421 -0.279 17579 4169 1 7 . 1 1 56 56 PRO HA H 91 2.974 2.974 4.318 -1.344 17579 4170 1 7 . 1 1 56 56 PRO C C 91 177.132 177.132 179.011 -1.879 17579 4171 1 7 . 1 1 56 56 PRO CA C 91 66.917 66.917 65.692 1.226 17579 4172 1 7 . 1 1 56 56 PRO CB C 91 31.519 31.519 31.306 0.213 17579 4173 1 7 . 1 1 57 57 VAL N N 92 114.761 114.761 119.284 -4.523 17579 4174 1 7 . 1 1 57 57 VAL HA H 92 3.570 3.570 3.682 -0.112 17579 4175 1 7 . 1 1 57 57 VAL C C 92 177.995 177.995 178.136 -0.141 17579 4176 1 7 . 1 1 57 57 VAL CA C 92 66.358 66.358 66.747 -0.389 17579 4177 1 7 . 1 1 57 57 VAL CB C 92 31.694 31.694 31.872 -0.178 17579 4178 1 7 . 1 1 57 57 VAL H H 92 6.505 6.505 7.078 -0.573 17579 4179 1 7 . 1 1 58 58 LEU N N 93 120.572 120.572 118.675 1.897 17579 4180 1 7 . 1 1 58 58 LEU HA H 93 4.200 4.200 4.158 0.042 17579 4181 1 7 . 1 1 58 58 LEU C C 93 180.452 180.452 178.476 1.976 17579 4182 1 7 . 1 1 58 58 LEU CA C 93 57.938 57.938 58.260 -0.322 17579 4183 1 7 . 1 1 58 58 LEU CB C 93 43.394 43.394 41.318 2.076 17579 4184 1 7 . 1 1 58 58 LEU H H 93 7.432 7.432 8.548 -1.116 17579 4185 1 7 . 1 1 59 59 CYS N N 94 117.330 117.330 118.756 -1.426 17579 4186 1 7 . 1 1 59 59 CYS HA H 94 3.827 3.827 4.165 -0.338 17579 4187 1 7 . 1 1 59 59 CYS C C 94 177.986 177.986 176.242 1.744 17579 4188 1 7 . 1 1 59 59 CYS CA C 94 65.483 65.483 63.327 2.156 17579 4189 1 7 . 1 1 59 59 CYS CB C 94 26.552 26.552 27.381 -0.829 17579 4190 1 7 . 1 1 59 59 CYS H H 94 8.423 8.423 8.171 0.252 17579 4191 1 7 . 1 1 60 60 GLU N N 95 120.766 120.766 119.750 1.016 17579 4192 1 7 . 1 1 60 60 GLU HA H 95 3.512 3.512 4.184 -0.672 17579 4193 1 7 . 1 1 60 60 GLU C C 95 180.736 180.736 177.586 3.150 17579 4194 1 7 . 1 1 60 60 GLU CA C 95 59.909 59.909 58.421 1.488 17579 4195 1 7 . 1 1 60 60 GLU CB C 95 29.108 29.108 29.384 -0.276 17579 4196 1 7 . 1 1 60 60 GLU H H 95 8.237 8.237 7.986 0.251 17579 4197 1 7 . 1 1 61 61 ASP N N 96 120.591 120.591 118.322 2.269 17579 4198 1 7 . 1 1 61 61 ASP HA H 96 4.311 4.311 4.548 -0.237 17579 4199 1 7 . 1 1 61 61 ASP C C 96 178.004 178.004 177.227 0.777 17579 4200 1 7 . 1 1 61 61 ASP CA C 96 57.549 57.549 56.140 1.409 17579 4201 1 7 . 1 1 61 61 ASP CB C 96 41.083 41.083 41.299 -0.216 17579 4202 1 7 . 1 1 61 61 ASP H H 96 8.345 8.345 7.908 0.437 17579 4203 1 7 . 1 1 62 62 HIS N N 97 115.844 115.844 114.830 1.014 17579 4204 1 7 . 1 1 62 62 HIS HA H 97 4.575 4.575 4.745 -0.170 17579 4205 1 7 . 1 1 62 62 HIS C C 97 173.728 173.728 174.281 -0.553 17579 4206 1 7 . 1 1 62 62 HIS CA C 97 57.418 57.418 56.151 1.267 17579 4207 1 7 . 1 1 62 62 HIS CB C 97 30.067 30.067 32.847 -2.780 17579 4208 1 7 . 1 1 62 62 HIS H H 97 7.663 7.663 7.919 -0.256 17579 4209 1 7 . 1 1 63 63 SER N N 98 114.813 114.813 115.163 -0.350 17579 4210 1 7 . 1 1 63 63 SER HA H 98 4.097 4.097 4.202 -0.105 17579 4211 1 7 . 1 1 63 63 SER C C 98 173.789 173.789 173.441 0.348 17579 4212 1 7 . 1 1 63 63 SER CA C 98 59.255 59.255 59.002 0.253 17579 4213 1 7 . 1 1 63 63 SER CB C 98 61.602 61.602 61.880 -0.278 17579 4214 1 7 . 1 1 63 63 SER H H 98 7.861 7.861 8.217 -0.356 17579 4215 1 7 . 1 1 64 64 VAL N N 99 123.227 123.227 121.462 1.765 17579 4216 1 7 . 1 1 64 64 VAL HA H 99 4.157 4.157 4.450 -0.293 17579 4217 1 7 . 1 1 64 64 VAL C C 99 174.345 174.345 174.847 -0.502 17579 4218 1 7 . 1 1 64 64 VAL CA C 99 58.923 58.923 59.529 -0.606 17579 4219 1 7 . 1 1 64 64 VAL CB C 99 35.133 35.133 33.928 1.204 17579 4220 1 7 . 1 1 64 64 VAL H H 99 8.603 8.603 8.017 0.586 17579 4221 1 7 . 1 1 65 65 PRO HA H 100 4.260 4.260 4.473 -0.213 17579 4222 1 7 . 1 1 65 65 PRO C C 100 173.335 173.335 175.183 -1.848 17579 4223 1 7 . 1 1 65 65 PRO CA C 100 63.165 63.165 63.020 0.145 17579 4224 1 7 . 1 1 65 65 PRO CB C 100 32.083 32.083 29.648 2.435 17579 4225 1 7 . 1 1 66 66 TYR N N 101 114.840 114.840 124.122 -9.282 17579 4226 1 7 . 1 1 66 66 TYR HA H 101 5.900 5.900 4.767 1.133 17579 4227 1 7 . 1 1 66 66 TYR C C 101 170.503 170.503 173.575 -3.072 17579 4228 1 7 . 1 1 66 66 TYR CA C 101 53.986 53.986 56.511 -2.525 17579 4229 1 7 . 1 1 66 66 TYR CB C 101 41.998 41.998 40.853 1.145 17579 4230 1 7 . 1 1 66 66 TYR H H 101 6.219 6.219 8.000 -1.781 17579 4231 1 7 . 1 1 67 67 ILE N N 102 112.118 112.118 125.752 -13.634 17579 4232 1 7 . 1 1 67 67 ILE HA H 102 4.488 4.488 4.146 0.342 17579 4233 1 7 . 1 1 67 67 ILE C C 102 171.963 171.963 173.287 -1.324 17579 4234 1 7 . 1 1 67 67 ILE CA C 102 55.343 55.343 58.701 -3.358 17579 4235 1 7 . 1 1 67 67 ILE CB C 102 43.317 43.317 41.778 1.539 17579 4236 1 7 . 1 1 67 67 ILE H H 102 7.954 7.954 8.684 -0.730 17579 4237 1 7 . 1 1 68 68 PHE N N 103 122.272 122.272 124.042 -1.770 17579 4238 1 7 . 1 1 68 68 PHE HA H 103 5.945 5.945 5.381 0.564 17579 4239 1 7 . 1 1 68 68 PHE C C 103 176.374 176.374 174.002 2.372 17579 4240 1 7 . 1 1 68 68 PHE CA C 103 56.520 56.520 54.974 1.546 17579 4241 1 7 . 1 1 68 68 PHE CB C 103 40.518 40.518 41.477 -0.959 17579 4242 1 7 . 1 1 68 68 PHE H H 103 8.087 8.087 7.917 0.170 17579 4243 1 7 . 1 1 69 69 ILE N N 104 114.672 114.672 117.376 -2.704 17579 4244 1 7 . 1 1 69 69 ILE HA H 104 2.991 2.991 4.579 -1.588 17579 4245 1 7 . 1 1 69 69 ILE C C 104 175.387 175.387 173.942 1.445 17579 4246 1 7 . 1 1 69 69 ILE CA C 104 57.903 57.903 58.094 -0.191 17579 4247 1 7 . 1 1 69 69 ILE CB C 104 38.207 38.207 40.119 -1.912 17579 4248 1 7 . 1 1 69 69 ILE H H 104 8.847 8.847 9.025 -0.178 17579 4249 1 7 . 1 1 70 70 PRO HA H 105 3.918 3.918 4.642 -0.724 17579 4250 1 7 . 1 1 70 70 PRO C C 105 177.442 177.442 176.001 1.441 17579 4251 1 7 . 1 1 70 70 PRO CA C 105 64.823 64.823 63.113 1.710 17579 4252 1 7 . 1 1 70 70 PRO CB C 105 35.906 35.906 30.499 5.407 17579 4253 1 7 . 1 1 71 71 SER N N 106 113.113 113.113 118.077 -4.964 17579 4254 1 7 . 1 1 71 71 SER HA H 106 4.261 4.261 4.634 -0.373 17579 4255 1 7 . 1 1 71 71 SER C C 106 175.111 175.111 174.310 0.801 17579 4256 1 7 . 1 1 71 71 SER CA C 106 60.111 60.111 58.310 1.801 17579 4257 1 7 . 1 1 71 71 SER CB C 106 63.687 63.687 65.224 -1.537 17579 4258 1 7 . 1 1 71 71 SER H H 106 7.904 7.904 8.225 -0.321 17579 4259 1 7 . 1 1 72 72 LYS N N 107 119.830 119.830 126.881 -7.051 17579 4260 1 7 . 1 1 72 72 LYS HA H 107 4.187 4.187 3.853 0.334 17579 4261 1 7 . 1 1 72 72 LYS CA C 107 58.783 58.783 60.572 -1.789 17579 4262 1 7 . 1 1 72 72 LYS CB C 107 30.951 30.951 32.553 -1.601 17579 4263 1 7 . 1 1 72 72 LYS H H 107 8.314 8.314 8.716 -0.402 17579 4264 1 7 . 1 1 73 73 GLN N N 108 123.860 123.860 116.785 7.075 17579 4265 1 7 . 1 1 73 73 GLN HA H 108 4.001 4.001 4.075 -0.074 17579 4266 1 7 . 1 1 73 73 GLN CA C 108 58.831 58.831 59.044 -0.213 17579 4267 1 7 . 1 1 73 73 GLN CB C 108 28.451 28.451 28.029 0.422 17579 4268 1 7 . 1 1 73 73 GLN H H 108 8.510 8.510 8.273 0.237 17579 4269 1 7 . 1 1 74 74 ASP N N 109 121.145 121.145 121.057 0.088 17579 4270 1 7 . 1 1 74 74 ASP HA H 109 4.389 4.389 4.403 -0.014 17579 4271 1 7 . 1 1 74 74 ASP C C 109 178.552 178.552 178.351 0.201 17579 4272 1 7 . 1 1 74 74 ASP H H 109 7.966 7.966 7.591 0.375 17579 4273 1 7 . 1 1 75 75 LEU N N 110 121.098 121.098 120.639 0.459 17579 4274 1 7 . 1 1 75 75 LEU HA H 110 3.955 3.955 4.153 -0.198 17579 4275 1 7 . 1 1 75 75 LEU C C 110 178.953 178.953 179.155 -0.202 17579 4276 1 7 . 1 1 75 75 LEU CA C 110 56.538 56.538 57.993 -1.455 17579 4277 1 7 . 1 1 75 75 LEU CB C 110 40.845 40.845 41.348 -0.503 17579 4278 1 7 . 1 1 75 75 LEU H H 110 7.932 7.932 8.293 -0.361 17579 4279 1 7 . 1 1 76 76 GLY N N 111 105.659 105.659 106.334 -0.675 17579 4280 1 7 . 1 1 76 76 GLY C C 111 175.510 175.510 175.523 -0.013 17579 4281 1 7 . 1 1 76 76 GLY CA C 111 47.037 47.037 47.035 0.002 17579 4282 1 7 . 1 1 76 76 GLY H H 111 8.006 8.006 8.270 -0.264 17579 4283 1 7 . 1 1 77 77 ALA N N 112 122.987 122.987 124.681 -1.694 17579 4284 1 7 . 1 1 77 77 ALA HA H 112 4.112 4.112 3.960 0.152 17579 4285 1 7 . 1 1 77 77 ALA C C 112 179.350 179.350 179.527 -0.177 17579 4286 1 7 . 1 1 77 77 ALA CA C 112 53.930 53.930 54.821 -0.891 17579 4287 1 7 . 1 1 77 77 ALA CB C 112 18.727 18.727 18.407 0.320 17579 4288 1 7 . 1 1 77 77 ALA H H 112 7.824 7.824 7.733 0.091 17579 4289 1 7 . 1 1 78 78 ALA N N 113 121.466 121.466 120.991 0.475 17579 4290 1 7 . 1 1 78 78 ALA HA H 113 4.189 4.189 3.950 0.239 17579 4291 1 7 . 1 1 78 78 ALA C C 113 177.368 177.368 179.221 -1.853 17579 4292 1 7 . 1 1 78 78 ALA CA C 113 53.750 53.750 54.834 -1.084 17579 4293 1 7 . 1 1 78 78 ALA CB C 113 19.231 19.231 18.725 0.506 17579 4294 1 7 . 1 1 78 78 ALA H H 113 7.785 7.785 7.900 -0.115 17579 4295 1 7 . 1 1 79 79 GLY N N 114 104.016 104.016 105.520 -1.504 17579 4296 1 7 . 1 1 79 79 GLY CA C 114 45.256 45.256 45.488 -0.232 17579 4297 1 7 . 1 1 79 79 GLY H H 114 7.742 7.742 8.105 -0.363 17579 4298 1 7 . 1 1 80 80 ALA HA H 115 4.100 4.100 4.578 -0.478 17579 4299 1 7 . 1 1 80 80 ALA C C 115 176.526 176.526 176.293 0.233 17579 4300 1 7 . 1 1 80 80 ALA CA C 115 53.482 53.482 51.772 1.710 17579 4301 1 7 . 1 1 80 80 ALA CB C 115 19.825 19.825 19.858 -0.033 17579 4302 1 7 . 1 1 81 81 THR N N 116 116.236 116.236 116.583 -0.347 17579 4303 1 7 . 1 1 81 81 THR HA H 116 4.718 4.718 3.980 0.738 17579 4304 1 7 . 1 1 81 81 THR CA C 116 57.275 57.275 65.020 -7.745 17579 4305 1 7 . 1 1 81 81 THR CB C 116 64.878 64.878 69.036 -4.158 17579 4306 1 7 . 1 1 81 81 THR H H 116 8.068 8.068 8.681 -0.613 17579 4307 1 7 . 1 1 84 84 PRO HA H 119 4.072 4.072 4.477 -0.405 17579 4308 1 7 . 1 1 84 84 PRO CB C 119 32.154 32.154 32.294 -0.140 17579 4309 1 7 . 1 1 85 85 THR N N 120 119.680 119.680 114.654 5.026 17579 4310 1 7 . 1 1 85 85 THR C C 120 175.333 175.333 174.079 1.254 17579 4311 1 7 . 1 1 85 85 THR CB C 120 71.769 71.769 72.401 -0.632 17579 4312 1 7 . 1 1 85 85 THR H H 120 8.002 8.002 8.141 -0.139 17579 4313 1 7 . 1 1 86 86 SER N N 121 115.589 115.589 114.732 0.857 17579 4314 1 7 . 1 1 86 86 SER HA H 121 4.325 4.325 4.641 -0.316 17579 4315 1 7 . 1 1 86 86 SER C C 121 172.929 172.929 173.787 -0.858 17579 4316 1 7 . 1 1 86 86 SER CA C 121 59.722 59.722 59.242 0.480 17579 4317 1 7 . 1 1 86 86 SER CB C 121 64.608 64.608 65.028 -0.420 17579 4318 1 7 . 1 1 86 86 SER H H 121 7.335 7.335 8.504 -1.169 17579 4319 1 7 . 1 1 87 87 VAL N N 122 116.044 116.044 118.770 -2.726 17579 4320 1 7 . 1 1 87 87 VAL HA H 122 5.200 5.200 4.650 0.550 17579 4321 1 7 . 1 1 87 87 VAL C C 122 172.465 172.465 173.997 -1.532 17579 4322 1 7 . 1 1 87 87 VAL CA C 122 59.819 59.819 61.109 -1.290 17579 4323 1 7 . 1 1 87 87 VAL CB C 122 33.368 33.368 32.633 0.735 17579 4324 1 7 . 1 1 87 87 VAL H H 122 7.152 7.152 7.635 -0.483 17579 4325 1 7 . 1 1 88 88 VAL N N 123 119.350 119.350 125.011 -5.661 17579 4326 1 7 . 1 1 88 88 VAL HA H 123 5.091 5.091 4.706 0.385 17579 4327 1 7 . 1 1 88 88 VAL C C 123 173.214 173.214 174.107 -0.893 17579 4328 1 7 . 1 1 88 88 VAL CA C 123 59.219 59.219 60.437 -1.218 17579 4329 1 7 . 1 1 88 88 VAL CB C 123 36.362 36.362 36.360 0.002 17579 4330 1 7 . 1 1 88 88 VAL H H 123 8.851 8.851 8.655 0.196 17579 4331 1 7 . 1 1 89 89 PHE N N 124 122.568 122.568 124.891 -2.323 17579 4332 1 7 . 1 1 89 89 PHE HA H 124 5.613 5.613 5.275 0.338 17579 4333 1 7 . 1 1 89 89 PHE C C 124 174.887 174.887 175.100 -0.213 17579 4334 1 7 . 1 1 89 89 PHE CA C 124 52.961 52.961 55.985 -3.024 17579 4335 1 7 . 1 1 89 89 PHE CB C 124 42.788 42.788 42.405 0.383 17579 4336 1 7 . 1 1 89 89 PHE H H 124 9.051 9.051 9.201 -0.150 17579 4337 1 7 . 1 1 90 90 ILE N N 125 127.707 127.707 128.327 -0.620 17579 4338 1 7 . 1 1 90 90 ILE HA H 125 4.264 4.264 4.250 0.014 17579 4339 1 7 . 1 1 90 90 ILE C C 125 173.870 173.870 175.396 -1.526 17579 4340 1 7 . 1 1 90 90 ILE CA C 125 61.789 61.789 60.218 1.571 17579 4341 1 7 . 1 1 90 90 ILE CB C 125 39.785 39.785 37.252 2.533 17579 4342 1 7 . 1 1 90 90 ILE H H 125 9.477 9.477 9.434 0.043 17579 4343 1 7 . 1 1 91 91 VAL N N 126 126.579 126.579 121.798 4.781 17579 4344 1 7 . 1 1 91 91 VAL HA H 126 4.566 4.566 4.803 -0.237 17579 4345 1 7 . 1 1 91 91 VAL C C 126 173.829 173.829 173.342 0.487 17579 4346 1 7 . 1 1 91 91 VAL CA C 126 58.701 58.701 58.500 0.201 17579 4347 1 7 . 1 1 91 91 VAL CB C 126 32.989 32.989 34.782 -1.793 17579 4348 1 7 . 1 1 91 91 VAL H H 126 8.149 8.149 8.814 -0.665 17579 4349 1 7 . 1 1 92 92 PRO HA H 127 4.035 4.035 4.641 -0.606 17579 4350 1 7 . 1 1 92 92 PRO C C 127 177.766 177.766 177.110 0.656 17579 4351 1 7 . 1 1 92 92 PRO CA C 127 63.684 63.684 62.912 0.772 17579 4352 1 7 . 1 1 92 92 PRO CB C 127 32.178 32.178 33.272 -1.094 17579 4353 1 7 . 1 1 93 93 GLY N N 128 108.618 108.618 108.036 0.582 17579 4354 1 7 . 1 1 93 93 GLY CA C 128 45.787 45.787 44.870 0.917 17579 4355 1 7 . 1 1 93 93 GLY H H 128 7.970 7.970 8.436 -0.466 17579 4356 1 7 . 1 1 94 94 SER N N 129 113.620 113.620 114.122 -0.502 17579 4357 1 7 . 1 1 94 94 SER HA H 129 4.317 4.317 4.670 -0.353 17579 4358 1 7 . 1 1 94 94 SER C C 129 180.379 180.379 175.340 5.039 17579 4359 1 7 . 1 1 94 94 SER CA C 129 58.566 58.566 56.175 2.391 17579 4360 1 7 . 1 1 94 94 SER H H 129 7.952 7.952 7.861 0.091 17579 4361 1 7 . 1 1 95 95 ASN N N 130 120.775 120.775 120.220 0.555 17579 4362 1 7 . 1 1 95 95 ASN HA H 130 3.964 3.964 4.580 -0.616 17579 4363 1 7 . 1 1 95 95 ASN C C 130 178.664 178.664 176.976 1.688 17579 4364 1 7 . 1 1 95 95 ASN CA C 130 57.689 57.689 55.867 1.821 17579 4365 1 7 . 1 1 95 95 ASN CB C 130 42.288 42.288 38.525 3.764 17579 4366 1 7 . 1 1 95 95 ASN H H 130 8.300 8.300 8.771 -0.471 17579 4367 1 7 . 1 1 96 96 LYS N N 131 119.316 119.316 118.033 1.283 17579 4368 1 7 . 1 1 96 96 LYS HA H 131 4.095 4.095 4.114 -0.019 17579 4369 1 7 . 1 1 96 96 LYS C C 131 178.290 178.290 178.607 -0.317 17579 4370 1 7 . 1 1 96 96 LYS CA C 131 59.062 59.062 58.328 0.734 17579 4371 1 7 . 1 1 96 96 LYS CB C 131 29.745 29.745 31.594 -1.849 17579 4372 1 7 . 1 1 96 96 LYS H H 131 7.896 7.896 8.422 -0.526 17579 4373 1 7 . 1 1 97 97 LYS N N 132 117.523 117.523 119.493 -1.970 17579 4374 1 7 . 1 1 97 97 LYS C C 132 176.927 176.927 177.860 -0.933 17579 4375 1 7 . 1 1 97 97 LYS CA C 132 58.555 58.555 57.039 1.516 17579 4376 1 7 . 1 1 97 97 LYS CB C 132 30.578 30.578 32.594 -2.016 17579 4377 1 7 . 1 1 97 97 LYS H H 132 7.791 7.791 7.804 -0.013 17579 4378 1 7 . 1 1 98 98 LYS HA H 133 4.236 4.236 4.363 -0.127 17579 4379 1 7 . 1 1 98 98 LYS C C 133 176.606 176.606 177.375 -0.769 17579 4380 1 7 . 1 1 98 98 LYS CA C 133 57.225 57.225 56.081 1.144 17579 4381 1 7 . 1 1 98 98 LYS CB C 133 33.151 33.151 32.564 0.587 17579 4382 1 7 . 1 1 99 99 ASP N N 134 120.311 120.311 119.590 0.721 17579 4383 1 7 . 1 1 99 99 ASP HA H 134 4.584 4.584 4.479 0.105 17579 4384 1 7 . 1 1 99 99 ASP C C 134 176.899 176.899 177.237 -0.338 17579 4385 1 7 . 1 1 99 99 ASP CA C 134 54.402 54.402 55.136 -0.734 17579 4386 1 7 . 1 1 99 99 ASP CB C 134 41.568 41.568 41.200 0.368 17579 4387 1 7 . 1 1 99 99 ASP H H 134 8.267 8.267 7.845 0.422 17579 4388 1 7 . 1 1 100 100 GLY N N 135 108.751 108.751 106.525 2.226 17579 4389 1 7 . 1 1 100 100 GLY C C 135 174.683 174.683 174.373 0.310 17579 4390 1 7 . 1 1 100 100 GLY CA C 135 45.985 45.985 45.784 0.201 17579 4391 1 7 . 1 1 100 100 GLY H H 135 8.235 8.235 8.182 0.053 17579 4392 1 7 . 1 1 101 101 LYS N N 136 120.306 120.306 119.420 0.886 17579 4393 1 7 . 1 1 101 101 LYS HA H 136 4.279 4.279 4.274 0.005 17579 4394 1 7 . 1 1 101 101 LYS C C 136 175.145 175.145 177.136 -1.991 17579 4395 1 7 . 1 1 101 101 LYS CA C 136 56.875 56.875 57.124 -0.249 17579 4396 1 7 . 1 1 101 101 LYS CB C 136 32.987 32.987 33.561 -0.574 17579 4397 1 7 . 1 1 101 101 LYS H H 136 8.148 8.148 7.789 0.359 17579 4398 1 7 . 1 1 102 102 ASN N N 137 118.958 118.958 117.820 1.138 17579 4399 1 7 . 1 1 102 102 ASN HA H 137 4.707 4.707 4.629 0.078 17579 4400 1 7 . 1 1 102 102 ASN C C 137 175.849 175.849 176.775 -0.926 17579 4401 1 7 . 1 1 102 102 ASN CA C 137 53.816 53.816 53.680 0.136 17579 4402 1 7 . 1 1 102 102 ASN CB C 137 39.070 39.070 38.719 0.351 17579 4403 1 7 . 1 1 102 102 ASN H H 137 8.406 8.406 8.226 0.180 17579 4404 1 7 . 1 1 103 103 LYS N N 138 121.782 121.782 119.768 2.014 17579 4405 1 7 . 1 1 103 103 LYS HA H 138 4.255 4.255 3.976 0.279 17579 4406 1 7 . 1 1 103 103 LYS CA C 138 56.641 56.641 59.060 -2.419 17579 4407 1 7 . 1 1 103 103 LYS CB C 138 32.911 32.911 31.994 0.917 17579 4408 1 7 . 1 1 103 103 LYS H H 138 8.316 8.316 8.685 -0.369 17579 4409 1 7 . 1 1 104 104 GLU N N 139 121.053 121.053 120.030 1.023 17579 4410 1 7 . 1 1 104 104 GLU CA C 139 57.449 57.449 58.998 -1.549 17579 4411 1 7 . 1 1 104 104 GLU CB C 139 29.983 29.983 28.384 1.599 17579 4412 1 7 . 1 1 104 104 GLU H H 139 8.459 8.459 8.234 0.225 17579 4413 1 7 . 1 1 106 106 GLU N N 141 122.191 122.191 119.887 2.304 17579 4414 1 7 . 1 1 106 106 GLU HA H 141 4.268 4.268 4.000 0.268 17579 4415 1 7 . 1 1 106 106 GLU CA C 141 64.025 64.025 59.223 4.802 17579 4416 1 7 . 1 1 106 106 GLU CB C 141 32.117 32.117 29.593 2.524 17579 4417 1 7 . 1 1 106 106 GLU H H 141 8.291 8.291 8.403 -0.112 17579 4418 1 7 . 1 1 107 107 TYR N N 142 115.802 115.802 120.882 -5.080 17579 4419 1 7 . 1 1 107 107 TYR HA H 142 4.996 4.996 4.003 0.993 17579 4420 1 7 . 1 1 107 107 TYR C C 142 175.381 175.381 177.389 -2.008 17579 4421 1 7 . 1 1 107 107 TYR CA C 142 57.581 57.581 61.511 -3.930 17579 4422 1 7 . 1 1 107 107 TYR CB C 142 39.533 39.533 38.261 1.272 17579 4423 1 7 . 1 1 107 107 TYR H H 142 7.344 7.344 8.862 -1.518 17579 4424 1 7 . 1 1 108 108 LYS N N 143 123.473 123.473 118.818 4.655 17579 4425 1 7 . 1 1 108 108 LYS HA H 143 3.628 3.628 3.517 0.111 17579 4426 1 7 . 1 1 108 108 LYS C C 143 177.659 177.659 178.780 -1.121 17579 4427 1 7 . 1 1 108 108 LYS CA C 143 59.988 59.988 59.494 0.494 17579 4428 1 7 . 1 1 108 108 LYS CB C 143 32.294 32.294 32.064 0.230 17579 4429 1 7 . 1 1 108 108 LYS H H 143 7.376 7.376 8.275 -0.899 17579 4430 1 7 . 1 1 109 109 GLU N N 144 118.799 118.799 119.211 -0.412 17579 4431 1 7 . 1 1 109 109 GLU HA H 144 4.048 4.048 3.997 0.051 17579 4432 1 7 . 1 1 109 109 GLU C C 144 179.583 179.583 178.717 0.866 17579 4433 1 7 . 1 1 109 109 GLU CA C 144 60.200 60.200 59.390 0.810 17579 4434 1 7 . 1 1 109 109 GLU CB C 144 29.237 29.237 29.282 -0.045 17579 4435 1 7 . 1 1 109 109 GLU H H 144 8.558 8.558 8.139 0.419 17579 4436 1 7 . 1 1 110 110 SER N N 145 116.121 116.121 115.308 0.813 17579 4437 1 7 . 1 1 110 110 SER HA H 145 4.319 4.319 4.145 0.174 17579 4438 1 7 . 1 1 110 110 SER C C 145 176.522 176.522 176.843 -0.321 17579 4439 1 7 . 1 1 110 110 SER CA C 145 61.990 61.990 61.624 0.366 17579 4440 1 7 . 1 1 110 110 SER CB C 145 63.293 63.293 63.110 0.183 17579 4441 1 7 . 1 1 110 110 SER H H 145 8.094 8.094 8.112 -0.018 17579 4442 1 7 . 1 1 111 111 PHE N N 146 122.311 122.311 122.026 0.285 17579 4443 1 7 . 1 1 111 111 PHE HA H 146 4.021 4.021 4.113 -0.092 17579 4444 1 7 . 1 1 111 111 PHE C C 146 176.001 176.001 177.000 -0.999 17579 4445 1 7 . 1 1 111 111 PHE CA C 146 62.504 62.504 60.235 2.269 17579 4446 1 7 . 1 1 111 111 PHE CB C 146 39.861 39.861 38.468 1.393 17579 4447 1 7 . 1 1 111 111 PHE H H 146 8.536 8.536 8.601 -0.065 17579 4448 1 7 . 1 1 112 112 ASN N N 147 117.908 117.908 117.144 0.764 17579 4449 1 7 . 1 1 112 112 ASN HA H 147 4.252 4.252 4.142 0.110 17579 4450 1 7 . 1 1 112 112 ASN C C 147 178.315 178.315 177.436 0.879 17579 4451 1 7 . 1 1 112 112 ASN CA C 147 56.226 56.226 56.518 -0.292 17579 4452 1 7 . 1 1 112 112 ASN CB C 147 37.990 37.990 38.377 -0.387 17579 4453 1 7 . 1 1 112 112 ASN H H 147 8.795 8.795 8.691 0.104 17579 4454 1 7 . 1 1 113 113 GLU N N 148 119.868 119.868 119.707 0.161 17579 4455 1 7 . 1 1 113 113 GLU HA H 148 4.024 4.024 4.031 -0.007 17579 4456 1 7 . 1 1 113 113 GLU C C 148 179.410 179.410 178.929 0.481 17579 4457 1 7 . 1 1 113 113 GLU CA C 148 59.710 59.710 59.361 0.349 17579 4458 1 7 . 1 1 113 113 GLU CB C 148 30.063 30.063 29.653 0.410 17579 4459 1 7 . 1 1 113 113 GLU H H 148 7.764 7.764 7.864 -0.100 17579 4460 1 7 . 1 1 114 114 VAL N N 149 119.684 119.684 117.542 2.142 17579 4461 1 7 . 1 1 114 114 VAL HA H 149 3.544 3.544 3.648 -0.104 17579 4462 1 7 . 1 1 114 114 VAL C C 149 177.613 177.613 178.187 -0.574 17579 4463 1 7 . 1 1 114 114 VAL CA C 149 66.977 66.977 66.170 0.807 17579 4464 1 7 . 1 1 114 114 VAL CB C 149 30.605 30.605 30.989 -0.384 17579 4465 1 7 . 1 1 114 114 VAL H H 149 7.973 7.973 8.027 -0.054 17579 4466 1 7 . 1 1 115 115 VAL N N 150 119.782 119.782 121.218 -1.436 17579 4467 1 7 . 1 1 115 115 VAL HA H 150 3.164 3.164 3.388 -0.224 17579 4468 1 7 . 1 1 115 115 VAL C C 150 177.499 177.499 178.044 -0.545 17579 4469 1 7 . 1 1 115 115 VAL CA C 150 68.301 68.301 66.869 1.432 17579 4470 1 7 . 1 1 115 115 VAL CB C 150 31.483 31.483 30.515 0.968 17579 4471 1 7 . 1 1 115 115 VAL H H 150 8.452 8.452 8.405 0.047 17579 4472 1 7 . 1 1 116 116 LYS N N 151 118.842 118.842 119.043 -0.201 17579 4473 1 7 . 1 1 116 116 LYS HA H 151 4.024 4.024 3.843 0.181 17579 4474 1 7 . 1 1 116 116 LYS C C 151 179.862 179.862 179.001 0.861 17579 4475 1 7 . 1 1 116 116 LYS CA C 151 59.947 59.947 60.115 -0.168 17579 4476 1 7 . 1 1 116 116 LYS CB C 151 32.481 32.481 31.957 0.524 17579 4477 1 7 . 1 1 116 116 LYS H H 151 7.595 7.595 7.860 -0.265 17579 4478 1 7 . 1 1 117 117 GLU N N 152 120.243 120.243 120.033 0.210 17579 4479 1 7 . 1 1 117 117 GLU HA H 152 4.052 4.052 4.082 -0.030 17579 4480 1 7 . 1 1 117 117 GLU C C 152 179.528 179.528 179.027 0.501 17579 4481 1 7 . 1 1 117 117 GLU CA C 152 60.178 60.178 59.417 0.761 17579 4482 1 7 . 1 1 117 117 GLU CB C 152 29.949 29.949 29.666 0.283 17579 4483 1 7 . 1 1 117 117 GLU H H 152 7.513 7.513 7.831 -0.318 17579 4484 1 7 . 1 1 118 118 VAL N N 153 120.596 120.596 119.057 1.539 17579 4485 1 7 . 1 1 118 118 VAL HA H 153 3.464 3.464 3.721 -0.257 17579 4486 1 7 . 1 1 118 118 VAL C C 153 177.984 177.984 177.261 0.723 17579 4487 1 7 . 1 1 118 118 VAL CA C 153 68.047 68.047 65.402 2.645 17579 4488 1 7 . 1 1 118 118 VAL CB C 153 32.056 32.056 31.835 0.221 17579 4489 1 7 . 1 1 118 118 VAL H H 153 8.649 8.649 7.831 0.818 17579 4490 1 7 . 1 1 119 119 GLN N N 154 118.317 118.317 118.246 0.071 17579 4491 1 7 . 1 1 119 119 GLN HA H 154 3.986 3.986 4.156 -0.170 17579 4492 1 7 . 1 1 119 119 GLN C C 154 178.984 178.984 177.454 1.530 17579 4493 1 7 . 1 1 119 119 GLN CA C 154 59.716 59.716 58.053 1.663 17579 4494 1 7 . 1 1 119 119 GLN CB C 154 28.261 28.261 29.288 -1.027 17579 4495 1 7 . 1 1 119 119 GLN H H 154 8.947 8.947 7.774 1.173 17579 4496 1 7 . 1 1 120 120 ALA N N 155 120.688 120.688 121.913 -1.225 17579 4497 1 7 . 1 1 120 120 ALA HA H 155 3.484 3.484 4.170 -0.686 17579 4498 1 7 . 1 1 120 120 ALA C C 155 180.759 180.759 178.079 2.680 17579 4499 1 7 . 1 1 120 120 ALA CA C 155 55.257 55.257 53.435 1.822 17579 4500 1 7 . 1 1 120 120 ALA CB C 155 18.446 18.446 19.185 -0.739 17579 4501 1 7 . 1 1 120 120 ALA H H 155 7.494 7.494 7.799 -0.305 17579 4502 1 8 . 1 1 2 2 LYS N N 37 124.936 124.936 123.690 1.246 17579 4503 1 8 . 1 1 2 2 LYS HA H 37 4.053 4.053 4.137 -0.084 17579 4504 1 8 . 1 1 2 2 LYS C C 37 172.929 172.929 177.979 -5.050 17579 4505 1 8 . 1 1 2 2 LYS CA C 37 60.975 60.975 58.228 2.747 17579 4506 1 8 . 1 1 2 2 LYS CB C 37 32.607 32.607 31.648 0.959 17579 4507 1 8 . 1 1 2 2 LYS H H 37 7.564 7.564 8.477 -0.913 17579 4508 1 8 . 1 1 3 3 LYS N N 38 118.300 118.300 119.093 -0.793 17579 4509 1 8 . 1 1 3 3 LYS HA H 38 4.045 4.045 4.044 0.001 17579 4510 1 8 . 1 1 3 3 LYS C C 38 179.361 179.361 178.326 1.035 17579 4511 1 8 . 1 1 3 3 LYS CA C 38 59.930 59.930 58.643 1.287 17579 4512 1 8 . 1 1 3 3 LYS CB C 38 32.885 32.885 31.265 1.620 17579 4513 1 8 . 1 1 3 3 LYS H H 38 8.234 8.234 8.334 -0.100 17579 4514 1 8 . 1 1 4 4 LEU N N 39 122.081 122.081 120.712 1.369 17579 4515 1 8 . 1 1 4 4 LEU HA H 39 4.135 4.135 3.892 0.243 17579 4516 1 8 . 1 1 4 4 LEU C C 39 178.433 178.433 178.040 0.393 17579 4517 1 8 . 1 1 4 4 LEU CA C 39 57.726 57.726 58.194 -0.468 17579 4518 1 8 . 1 1 4 4 LEU CB C 39 40.588 40.588 41.703 -1.115 17579 4519 1 8 . 1 1 4 4 LEU H H 39 7.856 7.856 7.709 0.147 17579 4520 1 8 . 1 1 5 5 ASN N N 40 118.758 118.758 117.060 1.698 17579 4521 1 8 . 1 1 5 5 ASN HA H 40 3.994 3.994 4.240 -0.246 17579 4522 1 8 . 1 1 5 5 ASN C C 40 176.246 176.246 177.206 -0.960 17579 4523 1 8 . 1 1 5 5 ASN CA C 40 57.843 57.843 56.415 1.428 17579 4524 1 8 . 1 1 5 5 ASN CB C 40 40.430 40.430 38.057 2.373 17579 4525 1 8 . 1 1 5 5 ASN H H 40 9.241 9.241 7.846 1.395 17579 4526 1 8 . 1 1 6 6 LYS N N 41 115.665 115.665 119.937 -4.272 17579 4527 1 8 . 1 1 6 6 LYS HA H 41 3.929 3.929 3.870 0.059 17579 4528 1 8 . 1 1 6 6 LYS C C 41 179.318 179.318 179.165 0.153 17579 4529 1 8 . 1 1 6 6 LYS CA C 41 60.130 60.130 59.492 0.638 17579 4530 1 8 . 1 1 6 6 LYS CB C 41 32.580 32.580 32.079 0.501 17579 4531 1 8 . 1 1 6 6 LYS H H 41 7.239 7.239 7.567 -0.328 17579 4532 1 8 . 1 1 7 7 LYS N N 42 119.038 119.038 119.316 -0.278 17579 4533 1 8 . 1 1 7 7 LYS HA H 42 4.037 4.037 3.926 0.111 17579 4534 1 8 . 1 1 7 7 LYS C C 42 180.428 180.428 178.890 1.538 17579 4535 1 8 . 1 1 7 7 LYS CA C 42 60.178 60.178 59.907 0.271 17579 4536 1 8 . 1 1 7 7 LYS CB C 42 33.670 33.670 32.368 1.302 17579 4537 1 8 . 1 1 7 7 LYS H H 42 7.358 7.358 7.967 -0.609 17579 4538 1 8 . 1 1 8 8 VAL N N 43 122.489 122.489 120.114 2.375 17579 4539 1 8 . 1 1 8 8 VAL HA H 43 3.263 3.263 3.823 -0.560 17579 4540 1 8 . 1 1 8 8 VAL C C 43 177.823 177.823 178.395 -0.572 17579 4541 1 8 . 1 1 8 8 VAL CA C 43 67.836 67.836 66.273 1.563 17579 4542 1 8 . 1 1 8 8 VAL CB C 43 31.523 31.523 31.136 0.387 17579 4543 1 8 . 1 1 8 8 VAL H H 43 9.167 9.167 8.106 1.061 17579 4544 1 8 . 1 1 9 9 LEU N N 44 119.740 119.740 119.448 0.292 17579 4545 1 8 . 1 1 9 9 LEU HA H 44 3.964 3.964 3.770 0.194 17579 4546 1 8 . 1 1 9 9 LEU C C 44 179.700 179.700 179.277 0.423 17579 4547 1 8 . 1 1 9 9 LEU CA C 44 58.742 58.742 58.593 0.149 17579 4548 1 8 . 1 1 9 9 LEU CB C 44 41.239 41.239 40.846 0.393 17579 4549 1 8 . 1 1 9 9 LEU H H 44 8.437 8.437 8.849 -0.412 17579 4550 1 8 . 1 1 10 10 LYS N N 45 119.832 119.832 118.820 1.012 17579 4551 1 8 . 1 1 10 10 LYS HA H 45 4.013 4.013 3.981 0.032 17579 4552 1 8 . 1 1 10 10 LYS C C 45 178.847 178.847 179.235 -0.388 17579 4553 1 8 . 1 1 10 10 LYS CA C 45 60.146 60.146 59.220 0.926 17579 4554 1 8 . 1 1 10 10 LYS CB C 45 32.583 32.583 31.668 0.915 17579 4555 1 8 . 1 1 10 10 LYS H H 45 7.857 7.857 8.160 -0.303 17579 4556 1 8 . 1 1 11 11 THR N N 46 116.695 116.695 116.820 -0.125 17579 4557 1 8 . 1 1 11 11 THR HA H 46 4.327 4.327 3.751 0.576 17579 4558 1 8 . 1 1 11 11 THR C C 46 176.211 176.211 176.433 -0.222 17579 4559 1 8 . 1 1 11 11 THR CA C 46 68.237 68.237 66.146 2.091 17579 4560 1 8 . 1 1 11 11 THR CB C 46 68.312 68.312 68.255 0.056 17579 4561 1 8 . 1 1 11 11 THR H H 46 7.796 7.796 8.145 -0.349 17579 4562 1 8 . 1 1 12 12 VAL N N 47 122.013 122.013 121.694 0.319 17579 4563 1 8 . 1 1 12 12 VAL HA H 47 3.235 3.235 3.538 -0.303 17579 4564 1 8 . 1 1 12 12 VAL C C 47 177.909 177.909 177.293 0.616 17579 4565 1 8 . 1 1 12 12 VAL CA C 47 67.838 67.838 65.452 2.386 17579 4566 1 8 . 1 1 12 12 VAL CB C 47 31.706 31.706 31.411 0.295 17579 4567 1 8 . 1 1 12 12 VAL H H 47 8.762 8.762 8.018 0.744 17579 4568 1 8 . 1 1 13 13 LYS N N 48 118.035 118.035 119.012 -0.977 17579 4569 1 8 . 1 1 13 13 LYS HA H 48 3.828 3.828 3.922 -0.094 17579 4570 1 8 . 1 1 13 13 LYS CA C 48 59.960 59.960 59.550 0.410 17579 4571 1 8 . 1 1 13 13 LYS CB C 48 32.837 32.837 32.301 0.536 17579 4572 1 8 . 1 1 13 13 LYS H H 48 7.492 7.492 8.274 -0.782 17579 4573 1 8 . 1 1 14 14 LYS N N 49 120.565 120.565 118.008 2.557 17579 4574 1 8 . 1 1 14 14 LYS HA H 49 3.952 3.952 4.173 -0.221 17579 4575 1 8 . 1 1 14 14 LYS C C 49 179.608 179.608 179.272 0.336 17579 4576 1 8 . 1 1 14 14 LYS CA C 49 59.950 59.950 58.541 1.409 17579 4577 1 8 . 1 1 14 14 LYS CB C 49 33.723 33.723 32.409 1.314 17579 4578 1 8 . 1 1 14 14 LYS H H 49 7.498 7.498 7.918 -0.420 17579 4579 1 8 . 1 1 15 15 ALA N N 50 122.192 122.192 122.775 -0.583 17579 4580 1 8 . 1 1 15 15 ALA HA H 50 3.467 3.467 4.235 -0.768 17579 4581 1 8 . 1 1 15 15 ALA C C 50 179.970 179.970 179.561 0.409 17579 4582 1 8 . 1 1 15 15 ALA CA C 50 54.950 54.950 54.913 0.037 17579 4583 1 8 . 1 1 15 15 ALA CB C 50 19.270 19.270 17.607 1.663 17579 4584 1 8 . 1 1 15 15 ALA H H 50 8.529 8.529 8.682 -0.153 17579 4585 1 8 . 1 1 16 16 SER N N 51 116.624 116.624 113.003 3.621 17579 4586 1 8 . 1 1 16 16 SER HA H 51 4.696 4.696 4.157 0.539 17579 4587 1 8 . 1 1 16 16 SER C C 51 178.705 178.705 176.339 2.366 17579 4588 1 8 . 1 1 16 16 SER CA C 51 62.206 62.206 61.066 1.139 17579 4589 1 8 . 1 1 16 16 SER CB C 51 62.918 62.918 62.843 0.075 17579 4590 1 8 . 1 1 16 16 SER H H 51 8.542 8.542 8.076 0.466 17579 4591 1 8 . 1 1 17 17 LYS N N 52 124.866 124.866 120.058 4.808 17579 4592 1 8 . 1 1 17 17 LYS HA H 52 4.051 4.051 4.213 -0.162 17579 4593 1 8 . 1 1 17 17 LYS C C 52 177.563 177.563 177.335 0.228 17579 4594 1 8 . 1 1 17 17 LYS CA C 52 59.290 59.290 57.425 1.865 17579 4595 1 8 . 1 1 17 17 LYS CB C 52 32.104 32.104 32.499 -0.395 17579 4596 1 8 . 1 1 17 17 LYS H H 52 7.553 7.553 8.061 -0.508 17579 4597 1 8 . 1 1 18 18 ALA N N 53 118.801 118.801 120.012 -1.211 17579 4598 1 8 . 1 1 18 18 ALA HA H 53 4.280 4.280 4.452 -0.172 17579 4599 1 8 . 1 1 18 18 ALA C C 53 175.253 175.253 176.361 -1.108 17579 4600 1 8 . 1 1 18 18 ALA CA C 53 52.222 52.222 51.341 0.881 17579 4601 1 8 . 1 1 18 18 ALA CB C 53 19.566 19.566 19.250 0.316 17579 4602 1 8 . 1 1 18 18 ALA H H 53 7.092 7.092 7.587 -0.495 17579 4603 1 8 . 1 1 19 19 LYS N N 54 112.119 112.119 116.207 -4.088 17579 4604 1 8 . 1 1 19 19 LYS HA H 54 4.027 4.027 3.932 0.095 17579 4605 1 8 . 1 1 19 19 LYS C C 54 177.191 177.191 175.614 1.577 17579 4606 1 8 . 1 1 19 19 LYS CA C 54 57.435 57.435 57.134 0.301 17579 4607 1 8 . 1 1 19 19 LYS CB C 54 28.420 28.420 30.374 -1.954 17579 4608 1 8 . 1 1 19 19 LYS H H 54 7.644 7.644 7.528 0.116 17579 4609 1 8 . 1 1 20 20 ASN N N 55 116.236 116.236 115.304 0.932 17579 4610 1 8 . 1 1 20 20 ASN HA H 55 5.090 5.090 4.719 0.371 17579 4611 1 8 . 1 1 20 20 ASN C C 55 173.176 173.176 175.135 -1.959 17579 4612 1 8 . 1 1 20 20 ASN CA C 55 51.617 51.617 54.424 -2.807 17579 4613 1 8 . 1 1 20 20 ASN CB C 55 40.642 40.642 40.158 0.484 17579 4614 1 8 . 1 1 20 20 ASN H H 55 8.099 8.099 7.792 0.307 17579 4615 1 8 . 1 1 21 21 VAL N N 56 115.268 115.268 119.553 -4.285 17579 4616 1 8 . 1 1 21 21 VAL HA H 56 4.864 4.864 4.077 0.787 17579 4617 1 8 . 1 1 21 21 VAL C C 56 175.526 175.526 174.828 0.698 17579 4618 1 8 . 1 1 21 21 VAL CA C 56 61.314 61.314 62.404 -1.089 17579 4619 1 8 . 1 1 21 21 VAL CB C 56 35.532 35.532 32.330 3.202 17579 4620 1 8 . 1 1 21 21 VAL H H 56 7.621 7.621 7.894 -0.273 17579 4621 1 8 . 1 1 22 22 LYS N N 57 126.903 126.903 129.308 -2.405 17579 4622 1 8 . 1 1 22 22 LYS HA H 57 4.682 4.682 4.687 -0.005 17579 4623 1 8 . 1 1 22 22 LYS C C 57 175.564 175.564 175.085 0.479 17579 4624 1 8 . 1 1 22 22 LYS CA C 57 54.694 54.694 54.775 -0.081 17579 4625 1 8 . 1 1 22 22 LYS CB C 57 33.975 33.975 34.178 -0.203 17579 4626 1 8 . 1 1 22 22 LYS H H 57 9.006 9.006 8.497 0.509 17579 4627 1 8 . 1 1 23 23 ARG N N 58 122.053 122.053 123.402 -1.349 17579 4628 1 8 . 1 1 23 23 ARG HA H 58 4.850 4.850 4.557 0.293 17579 4629 1 8 . 1 1 23 23 ARG C C 58 176.136 176.136 176.646 -0.510 17579 4630 1 8 . 1 1 23 23 ARG CA C 58 56.100 56.100 54.963 1.137 17579 4631 1 8 . 1 1 23 23 ARG CB C 58 33.752 33.752 31.511 2.241 17579 4632 1 8 . 1 1 23 23 ARG H H 58 8.994 8.994 8.835 0.159 17579 4633 1 8 . 1 1 24 24 GLY N N 59 110.836 110.836 108.119 2.717 17579 4634 1 8 . 1 1 24 24 GLY C C 59 173.053 173.053 174.034 -0.981 17579 4635 1 8 . 1 1 24 24 GLY CA C 59 45.028 45.028 44.297 0.731 17579 4636 1 8 . 1 1 24 24 GLY H H 59 8.205 8.205 8.245 -0.040 17579 4637 1 8 . 1 1 25 25 VAL N N 60 119.573 119.573 121.436 -1.863 17579 4638 1 8 . 1 1 25 25 VAL HA H 60 4.117 4.117 3.718 0.399 17579 4639 1 8 . 1 1 25 25 VAL C C 60 176.366 176.366 176.839 -0.473 17579 4640 1 8 . 1 1 25 25 VAL CA C 60 67.542 67.542 65.482 2.060 17579 4641 1 8 . 1 1 25 25 VAL CB C 60 32.147 32.147 31.973 0.174 17579 4642 1 8 . 1 1 25 25 VAL H H 60 8.219 8.219 8.626 -0.407 17579 4643 1 8 . 1 1 26 26 LYS N N 61 117.987 117.987 119.267 -1.280 17579 4644 1 8 . 1 1 26 26 LYS HA H 61 3.896 3.896 4.082 -0.186 17579 4645 1 8 . 1 1 26 26 LYS C C 61 180.230 180.230 178.521 1.709 17579 4646 1 8 . 1 1 26 26 LYS CA C 61 60.492 60.492 59.812 0.680 17579 4647 1 8 . 1 1 26 26 LYS CB C 61 32.356 32.356 31.990 0.366 17579 4648 1 8 . 1 1 26 26 LYS H H 61 8.112 8.112 8.411 -0.299 17579 4649 1 8 . 1 1 27 27 GLU N N 62 117.610 117.610 119.184 -1.574 17579 4650 1 8 . 1 1 27 27 GLU HA H 62 3.937 3.937 4.099 -0.162 17579 4651 1 8 . 1 1 27 27 GLU C C 62 180.103 180.103 179.152 0.951 17579 4652 1 8 . 1 1 27 27 GLU CA C 62 59.119 59.119 59.570 -0.451 17579 4653 1 8 . 1 1 27 27 GLU CB C 62 30.052 30.052 28.991 1.061 17579 4654 1 8 . 1 1 27 27 GLU H H 62 8.493 8.493 8.182 0.311 17579 4655 1 8 . 1 1 28 28 VAL N N 63 120.585 120.585 118.052 2.533 17579 4656 1 8 . 1 1 28 28 VAL HA H 63 3.478 3.478 3.945 -0.467 17579 4657 1 8 . 1 1 28 28 VAL C C 63 176.970 176.970 178.007 -1.037 17579 4658 1 8 . 1 1 28 28 VAL CA C 63 68.197 68.197 66.787 1.410 17579 4659 1 8 . 1 1 28 28 VAL CB C 63 31.632 31.632 31.171 0.461 17579 4660 1 8 . 1 1 28 28 VAL H H 63 8.241 8.241 8.218 0.023 17579 4661 1 8 . 1 1 29 29 VAL N N 64 118.622 118.622 121.104 -2.482 17579 4662 1 8 . 1 1 29 29 VAL HA H 64 3.333 3.333 3.648 -0.315 17579 4663 1 8 . 1 1 29 29 VAL C C 64 177.709 177.709 178.427 -0.718 17579 4664 1 8 . 1 1 29 29 VAL CA C 64 67.751 67.751 66.645 1.106 17579 4665 1 8 . 1 1 29 29 VAL CB C 64 31.553 31.553 31.486 0.067 17579 4666 1 8 . 1 1 29 29 VAL H H 64 8.510 8.510 8.127 0.383 17579 4667 1 8 . 1 1 30 30 LYS N N 65 118.138 118.138 119.387 -1.249 17579 4668 1 8 . 1 1 30 30 LYS HA H 65 3.855 3.855 4.047 -0.192 17579 4669 1 8 . 1 1 30 30 LYS C C 65 178.693 178.693 178.829 -0.136 17579 4670 1 8 . 1 1 30 30 LYS CA C 65 59.986 59.986 58.839 1.147 17579 4671 1 8 . 1 1 30 30 LYS CB C 65 32.800 32.800 31.872 0.928 17579 4672 1 8 . 1 1 30 30 LYS H H 65 7.533 7.533 7.955 -0.422 17579 4673 1 8 . 1 1 31 31 ALA N N 66 120.585 120.585 121.634 -1.049 17579 4674 1 8 . 1 1 31 31 ALA HA H 66 4.049 4.049 4.139 -0.090 17579 4675 1 8 . 1 1 31 31 ALA C C 66 179.745 179.745 179.557 0.188 17579 4676 1 8 . 1 1 31 31 ALA CA C 66 55.288 55.288 54.597 0.691 17579 4677 1 8 . 1 1 31 31 ALA CB C 66 19.207 19.207 18.203 1.004 17579 4678 1 8 . 1 1 31 31 ALA H H 66 7.489 7.489 8.321 -0.832 17579 4679 1 8 . 1 1 32 32 LEU N N 67 119.402 119.402 115.825 3.577 17579 4680 1 8 . 1 1 32 32 LEU HA H 67 3.976 3.976 4.191 -0.215 17579 4681 1 8 . 1 1 32 32 LEU C C 67 180.917 180.917 178.201 2.716 17579 4682 1 8 . 1 1 32 32 LEU CA C 67 58.115 58.115 57.140 0.975 17579 4683 1 8 . 1 1 32 32 LEU CB C 67 42.554 42.554 41.847 0.707 17579 4684 1 8 . 1 1 32 32 LEU H H 67 8.332 8.332 7.680 0.652 17579 4685 1 8 . 1 1 33 33 ARG N N 68 116.408 116.408 120.020 -3.612 17579 4686 1 8 . 1 1 33 33 ARG HA H 68 3.787 3.787 4.211 -0.424 17579 4687 1 8 . 1 1 33 33 ARG C C 68 178.472 178.472 177.778 0.694 17579 4688 1 8 . 1 1 33 33 ARG CA C 68 59.581 59.581 58.226 1.355 17579 4689 1 8 . 1 1 33 33 ARG CB C 68 29.946 29.946 30.654 -0.708 17579 4690 1 8 . 1 1 33 33 ARG H H 68 8.147 8.147 8.070 0.077 17579 4691 1 8 . 1 1 34 34 LYS N N 69 117.866 117.866 116.779 1.087 17579 4692 1 8 . 1 1 34 34 LYS HA H 69 4.232 4.232 4.171 0.061 17579 4693 1 8 . 1 1 34 34 LYS C C 69 177.005 177.005 177.148 -0.143 17579 4694 1 8 . 1 1 34 34 LYS CA C 69 56.788 56.788 57.495 -0.707 17579 4695 1 8 . 1 1 34 34 LYS CB C 69 33.008 33.008 32.728 0.280 17579 4696 1 8 . 1 1 34 34 LYS H H 69 7.606 7.606 8.224 -0.618 17579 4697 1 8 . 1 1 35 35 GLY N N 70 106.799 106.799 104.535 2.264 17579 4698 1 8 . 1 1 35 35 GLY C C 70 175.547 175.547 174.405 1.142 17579 4699 1 8 . 1 1 35 35 GLY CA C 70 45.969 45.969 44.873 1.096 17579 4700 1 8 . 1 1 35 35 GLY H H 70 7.678 7.678 7.668 0.010 17579 4701 1 8 . 1 1 36 36 GLU N N 71 119.492 119.492 122.546 -3.054 17579 4702 1 8 . 1 1 36 36 GLU HA H 71 4.199 4.199 4.448 -0.249 17579 4703 1 8 . 1 1 36 36 GLU C C 71 175.625 175.625 175.326 0.299 17579 4704 1 8 . 1 1 36 36 GLU CA C 71 57.696 57.696 54.899 2.797 17579 4705 1 8 . 1 1 36 36 GLU CB C 71 29.620 29.620 28.149 1.470 17579 4706 1 8 . 1 1 36 36 GLU H H 71 7.686 7.686 8.458 -0.772 17579 4707 1 8 . 1 1 37 37 LYS N N 72 118.433 118.433 122.204 -3.771 17579 4708 1 8 . 1 1 37 37 LYS HA H 72 4.863 4.863 4.388 0.475 17579 4709 1 8 . 1 1 37 37 LYS C C 72 175.983 175.983 176.127 -0.144 17579 4710 1 8 . 1 1 37 37 LYS CA C 72 54.299 54.299 54.191 0.107 17579 4711 1 8 . 1 1 37 37 LYS CB C 72 35.140 35.140 33.846 1.294 17579 4712 1 8 . 1 1 37 37 LYS H H 72 8.202 8.202 7.609 0.593 17579 4713 1 8 . 1 1 38 38 GLY N N 73 104.719 104.719 107.478 -2.759 17579 4714 1 8 . 1 1 38 38 GLY C C 73 172.071 172.071 173.327 -1.256 17579 4715 1 8 . 1 1 38 38 GLY CA C 73 46.798 46.798 45.845 0.953 17579 4716 1 8 . 1 1 38 38 GLY H H 73 7.214 7.214 8.865 -1.651 17579 4717 1 8 . 1 1 39 39 LEU N N 74 125.471 125.471 122.789 2.682 17579 4718 1 8 . 1 1 39 39 LEU HA H 74 4.992 4.992 4.989 0.003 17579 4719 1 8 . 1 1 39 39 LEU C C 74 174.651 174.651 174.705 -0.054 17579 4720 1 8 . 1 1 39 39 LEU CA C 74 54.686 54.686 54.956 -0.270 17579 4721 1 8 . 1 1 39 39 LEU CB C 74 47.360 47.360 46.162 1.198 17579 4722 1 8 . 1 1 39 39 LEU H H 74 8.930 8.930 8.266 0.664 17579 4723 1 8 . 1 1 40 40 VAL N N 75 130.975 130.975 128.515 2.460 17579 4724 1 8 . 1 1 40 40 VAL HA H 75 4.649 4.649 3.972 0.677 17579 4725 1 8 . 1 1 40 40 VAL C C 75 173.868 173.868 175.355 -1.487 17579 4726 1 8 . 1 1 40 40 VAL CA C 75 62.513 62.513 60.088 2.425 17579 4727 1 8 . 1 1 40 40 VAL CB C 75 32.856 32.856 30.183 2.673 17579 4728 1 8 . 1 1 40 40 VAL H H 75 8.549 8.549 8.864 -0.315 17579 4729 1 8 . 1 1 41 41 VAL N N 76 127.452 127.452 129.653 -2.201 17579 4730 1 8 . 1 1 41 41 VAL HA H 76 4.645 4.645 4.447 0.198 17579 4731 1 8 . 1 1 41 41 VAL C C 76 173.931 173.931 175.391 -1.460 17579 4732 1 8 . 1 1 41 41 VAL CA C 76 61.015 61.015 61.211 -0.196 17579 4733 1 8 . 1 1 41 41 VAL CB C 76 33.844 33.844 30.934 2.910 17579 4734 1 8 . 1 1 41 41 VAL H H 76 8.754 8.754 8.577 0.177 17579 4735 1 8 . 1 1 42 42 ILE N N 77 126.301 126.301 127.926 -1.625 17579 4736 1 8 . 1 1 42 42 ILE HA H 77 4.455 4.455 5.183 -0.728 17579 4737 1 8 . 1 1 42 42 ILE C C 77 174.965 174.965 174.955 0.010 17579 4738 1 8 . 1 1 42 42 ILE CA C 77 59.842 59.842 57.816 2.026 17579 4739 1 8 . 1 1 42 42 ILE CB C 77 40.257 40.257 41.069 -0.812 17579 4740 1 8 . 1 1 42 42 ILE H H 77 8.530 8.530 8.827 -0.297 17579 4741 1 8 . 1 1 43 43 ALA N N 78 128.716 128.716 128.872 -0.156 17579 4742 1 8 . 1 1 43 43 ALA HA H 78 4.469 4.469 4.928 -0.459 17579 4743 1 8 . 1 1 43 43 ALA C C 78 177.979 177.979 179.053 -1.074 17579 4744 1 8 . 1 1 43 43 ALA CA C 78 52.398 52.398 50.730 1.668 17579 4745 1 8 . 1 1 43 43 ALA CB C 78 19.600 19.600 18.899 0.701 17579 4746 1 8 . 1 1 43 43 ALA H H 78 8.538 8.538 8.330 0.208 17579 4747 1 8 . 1 1 44 44 GLY N N 79 104.343 104.343 112.085 -7.742 17579 4748 1 8 . 1 1 44 44 GLY C C 79 173.472 173.472 174.503 -1.031 17579 4749 1 8 . 1 1 44 44 GLY CA C 79 46.239 46.239 47.282 -1.043 17579 4750 1 8 . 1 1 44 44 GLY H H 79 9.090 9.090 8.488 0.602 17579 4751 1 8 . 1 1 45 45 ASP N N 80 118.154 118.154 119.181 -1.027 17579 4752 1 8 . 1 1 45 45 ASP HA H 80 4.855 4.855 4.708 0.147 17579 4753 1 8 . 1 1 45 45 ASP C C 80 176.500 176.500 175.506 0.994 17579 4754 1 8 . 1 1 45 45 ASP CA C 80 52.804 52.804 53.808 -1.004 17579 4755 1 8 . 1 1 45 45 ASP CB C 80 39.410 39.410 42.127 -2.717 17579 4756 1 8 . 1 1 45 45 ASP H H 80 8.603 8.603 8.580 0.023 17579 4757 1 8 . 1 1 46 46 ILE N N 81 118.477 118.477 121.127 -2.650 17579 4758 1 8 . 1 1 46 46 ILE HA H 81 4.073 4.073 4.364 -0.291 17579 4759 1 8 . 1 1 46 46 ILE C C 81 173.822 173.822 173.495 0.327 17579 4760 1 8 . 1 1 46 46 ILE CA C 81 59.882 59.882 60.980 -1.099 17579 4761 1 8 . 1 1 46 46 ILE CB C 81 39.136 39.136 40.549 -1.413 17579 4762 1 8 . 1 1 46 46 ILE H H 81 6.846 6.846 7.503 -0.657 17579 4763 1 8 . 1 1 47 47 SER N N 82 117.552 117.552 120.270 -2.718 17579 4764 1 8 . 1 1 47 47 SER HA H 82 4.628 4.628 4.773 -0.145 17579 4765 1 8 . 1 1 47 47 SER C C 82 176.920 176.920 172.337 4.583 17579 4766 1 8 . 1 1 47 47 SER CA C 82 55.444 55.444 56.092 -0.648 17579 4767 1 8 . 1 1 47 47 SER CB C 82 65.268 65.268 64.867 0.401 17579 4768 1 8 . 1 1 47 47 SER H H 82 7.774 7.774 8.204 -0.430 17579 4769 1 8 . 1 1 48 48 PRO HA H 83 4.259 4.259 4.500 -0.241 17579 4770 1 8 . 1 1 48 48 PRO CA C 83 62.312 62.312 62.612 -0.300 17579 4771 1 8 . 1 1 48 48 PRO CB C 83 30.564 30.564 32.002 -1.438 17579 4772 1 8 . 1 1 49 49 ALA N N 84 122.207 122.207 120.456 1.751 17579 4773 1 8 . 1 1 49 49 ALA HA H 84 3.978 3.978 4.228 -0.250 17579 4774 1 8 . 1 1 49 49 ALA C C 84 178.699 178.699 178.615 0.084 17579 4775 1 8 . 1 1 49 49 ALA CA C 84 54.704 54.704 53.784 0.920 17579 4776 1 8 . 1 1 49 49 ALA CB C 84 19.393 19.393 18.924 0.469 17579 4777 1 8 . 1 1 49 49 ALA H H 84 8.091 8.091 8.297 -0.206 17579 4778 1 8 . 1 1 50 50 ASP N N 85 113.440 113.440 118.127 -4.687 17579 4779 1 8 . 1 1 50 50 ASP HA H 85 4.338 4.338 4.576 -0.238 17579 4780 1 8 . 1 1 50 50 ASP C C 85 177.723 177.723 177.940 -0.217 17579 4781 1 8 . 1 1 50 50 ASP CA C 85 56.203 56.203 54.830 1.373 17579 4782 1 8 . 1 1 50 50 ASP CB C 85 40.562 40.562 40.207 0.355 17579 4783 1 8 . 1 1 50 50 ASP H H 85 8.148 8.148 8.586 -0.438 17579 4784 1 8 . 1 1 51 51 VAL N N 86 116.604 116.604 121.368 -4.764 17579 4785 1 8 . 1 1 51 51 VAL HA H 86 3.925 3.925 3.666 0.259 17579 4786 1 8 . 1 1 51 51 VAL C C 86 176.966 176.966 176.361 0.605 17579 4787 1 8 . 1 1 51 51 VAL CA C 86 65.241 65.241 65.490 -0.249 17579 4788 1 8 . 1 1 51 51 VAL CB C 86 32.467 32.467 32.207 0.260 17579 4789 1 8 . 1 1 51 51 VAL H H 86 7.538 7.538 7.412 0.126 17579 4790 1 8 . 1 1 52 52 ILE N N 87 108.211 108.211 118.510 -10.299 17579 4791 1 8 . 1 1 52 52 ILE HA H 87 4.565 4.565 4.035 0.530 17579 4792 1 8 . 1 1 52 52 ILE C C 87 178.116 178.116 176.498 1.618 17579 4793 1 8 . 1 1 52 52 ILE CA C 87 60.165 60.165 62.194 -2.029 17579 4794 1 8 . 1 1 52 52 ILE CB C 87 41.048 41.048 36.225 4.823 17579 4795 1 8 . 1 1 52 52 ILE H H 87 7.283 7.283 7.889 -0.606 17579 4796 1 8 . 1 1 53 53 SER N N 88 116.088 116.088 113.797 2.291 17579 4797 1 8 . 1 1 53 53 SER HA H 88 4.538 4.538 4.605 -0.067 17579 4798 1 8 . 1 1 53 53 SER CA C 88 61.852 61.852 59.242 2.610 17579 4799 1 8 . 1 1 53 53 SER CB C 88 62.604 62.604 64.316 -1.712 17579 4800 1 8 . 1 1 53 53 SER H H 88 7.845 7.845 8.096 -0.251 17579 4801 1 8 . 1 1 54 54 HIS N N 89 121.004 121.004 119.445 1.559 17579 4802 1 8 . 1 1 54 54 HIS HA H 89 4.590 4.590 4.650 -0.060 17579 4803 1 8 . 1 1 54 54 HIS C C 89 176.530 176.530 176.494 0.036 17579 4804 1 8 . 1 1 54 54 HIS CA C 89 56.554 56.554 57.677 -1.123 17579 4805 1 8 . 1 1 54 54 HIS CB C 89 33.261 33.261 32.005 1.256 17579 4806 1 8 . 1 1 54 54 HIS H H 89 8.450 8.450 7.890 0.560 17579 4807 1 8 . 1 1 55 55 ILE N N 90 123.909 123.909 121.933 1.976 17579 4808 1 8 . 1 1 55 55 ILE HA H 90 4.583 4.583 3.659 0.924 17579 4809 1 8 . 1 1 55 55 ILE CA C 90 62.230 62.230 65.907 -3.677 17579 4810 1 8 . 1 1 55 55 ILE CB C 90 42.418 42.418 35.015 7.403 17579 4811 1 8 . 1 1 55 55 ILE H H 90 8.142 8.142 8.331 -0.189 17579 4812 1 8 . 1 1 56 56 PRO HA H 91 2.974 2.974 4.254 -1.280 17579 4813 1 8 . 1 1 56 56 PRO C C 91 177.132 177.132 179.073 -1.941 17579 4814 1 8 . 1 1 56 56 PRO CA C 91 66.917 66.917 66.037 0.880 17579 4815 1 8 . 1 1 56 56 PRO CB C 91 31.519 31.519 31.047 0.472 17579 4816 1 8 . 1 1 57 57 VAL N N 92 114.761 114.761 118.761 -4.000 17579 4817 1 8 . 1 1 57 57 VAL HA H 92 3.570 3.570 3.715 -0.145 17579 4818 1 8 . 1 1 57 57 VAL C C 92 177.995 177.995 177.760 0.235 17579 4819 1 8 . 1 1 57 57 VAL CA C 92 66.358 66.358 66.117 0.241 17579 4820 1 8 . 1 1 57 57 VAL CB C 92 31.694 31.694 31.829 -0.135 17579 4821 1 8 . 1 1 57 57 VAL H H 92 6.505 6.505 7.541 -1.036 17579 4822 1 8 . 1 1 58 58 LEU N N 93 120.572 120.572 118.662 1.910 17579 4823 1 8 . 1 1 58 58 LEU HA H 93 4.200 4.200 4.091 0.109 17579 4824 1 8 . 1 1 58 58 LEU C C 93 180.452 180.452 178.491 1.961 17579 4825 1 8 . 1 1 58 58 LEU CA C 93 57.938 57.938 58.143 -0.205 17579 4826 1 8 . 1 1 58 58 LEU CB C 93 43.394 43.394 41.291 2.103 17579 4827 1 8 . 1 1 58 58 LEU H H 93 7.432 7.432 8.326 -0.894 17579 4828 1 8 . 1 1 59 59 CYS N N 94 117.330 117.330 118.683 -1.353 17579 4829 1 8 . 1 1 59 59 CYS HA H 94 3.827 3.827 4.197 -0.370 17579 4830 1 8 . 1 1 59 59 CYS C C 94 177.986 177.986 176.693 1.293 17579 4831 1 8 . 1 1 59 59 CYS CA C 94 65.483 65.483 62.561 2.922 17579 4832 1 8 . 1 1 59 59 CYS CB C 94 26.552 26.552 26.758 -0.206 17579 4833 1 8 . 1 1 59 59 CYS H H 94 8.423 8.423 8.170 0.253 17579 4834 1 8 . 1 1 60 60 GLU N N 95 120.766 120.766 119.209 1.557 17579 4835 1 8 . 1 1 60 60 GLU HA H 95 3.512 3.512 4.175 -0.663 17579 4836 1 8 . 1 1 60 60 GLU C C 95 180.736 180.736 177.350 3.386 17579 4837 1 8 . 1 1 60 60 GLU CA C 95 59.909 59.909 58.435 1.474 17579 4838 1 8 . 1 1 60 60 GLU CB C 95 29.108 29.108 29.705 -0.597 17579 4839 1 8 . 1 1 60 60 GLU H H 95 8.237 8.237 7.861 0.376 17579 4840 1 8 . 1 1 61 61 ASP N N 96 120.591 120.591 118.466 2.125 17579 4841 1 8 . 1 1 61 61 ASP HA H 96 4.311 4.311 4.451 -0.140 17579 4842 1 8 . 1 1 61 61 ASP C C 96 178.004 178.004 177.354 0.650 17579 4843 1 8 . 1 1 61 61 ASP CA C 96 57.549 57.549 56.261 1.288 17579 4844 1 8 . 1 1 61 61 ASP CB C 96 41.083 41.083 41.482 -0.399 17579 4845 1 8 . 1 1 61 61 ASP H H 96 8.345 8.345 7.875 0.470 17579 4846 1 8 . 1 1 62 62 HIS N N 97 115.844 115.844 116.042 -0.198 17579 4847 1 8 . 1 1 62 62 HIS HA H 97 4.575 4.575 4.747 -0.172 17579 4848 1 8 . 1 1 62 62 HIS C C 97 173.728 173.728 174.011 -0.283 17579 4849 1 8 . 1 1 62 62 HIS CA C 97 57.418 57.418 55.473 1.945 17579 4850 1 8 . 1 1 62 62 HIS CB C 97 30.067 30.067 32.514 -2.446 17579 4851 1 8 . 1 1 62 62 HIS H H 97 7.663 7.663 7.735 -0.072 17579 4852 1 8 . 1 1 63 63 SER N N 98 114.813 114.813 116.475 -1.662 17579 4853 1 8 . 1 1 63 63 SER HA H 98 4.097 4.097 4.191 -0.093 17579 4854 1 8 . 1 1 63 63 SER C C 98 173.789 173.789 172.559 1.230 17579 4855 1 8 . 1 1 63 63 SER CA C 98 59.255 59.255 58.459 0.796 17579 4856 1 8 . 1 1 63 63 SER CB C 98 61.602 61.602 62.889 -1.287 17579 4857 1 8 . 1 1 63 63 SER H H 98 7.861 7.861 8.087 -0.226 17579 4858 1 8 . 1 1 64 64 VAL N N 99 123.227 123.227 124.744 -1.517 17579 4859 1 8 . 1 1 64 64 VAL HA H 99 4.157 4.157 4.604 -0.447 17579 4860 1 8 . 1 1 64 64 VAL C C 99 174.345 174.345 174.046 0.299 17579 4861 1 8 . 1 1 64 64 VAL CA C 99 58.923 58.923 59.157 -0.234 17579 4862 1 8 . 1 1 64 64 VAL CB C 99 35.133 35.133 35.694 -0.561 17579 4863 1 8 . 1 1 64 64 VAL H H 99 8.603 8.603 8.453 0.150 17579 4864 1 8 . 1 1 65 65 PRO HA H 100 4.260 4.260 4.517 -0.257 17579 4865 1 8 . 1 1 65 65 PRO C C 100 173.335 173.335 175.141 -1.806 17579 4866 1 8 . 1 1 65 65 PRO CA C 100 63.165 63.165 63.087 0.078 17579 4867 1 8 . 1 1 65 65 PRO CB C 100 32.083 32.083 29.689 2.394 17579 4868 1 8 . 1 1 66 66 TYR N N 101 114.840 114.840 124.829 -9.989 17579 4869 1 8 . 1 1 66 66 TYR HA H 101 5.900 5.900 4.788 1.112 17579 4870 1 8 . 1 1 66 66 TYR C C 101 170.503 170.503 173.317 -2.814 17579 4871 1 8 . 1 1 66 66 TYR CA C 101 53.986 53.986 56.778 -2.792 17579 4872 1 8 . 1 1 66 66 TYR CB C 101 41.998 41.998 40.774 1.224 17579 4873 1 8 . 1 1 66 66 TYR H H 101 6.219 6.219 8.052 -1.833 17579 4874 1 8 . 1 1 67 67 ILE N N 102 112.118 112.118 124.770 -12.652 17579 4875 1 8 . 1 1 67 67 ILE HA H 102 4.488 4.488 4.157 0.331 17579 4876 1 8 . 1 1 67 67 ILE C C 102 171.963 171.963 173.152 -1.189 17579 4877 1 8 . 1 1 67 67 ILE CA C 102 55.343 55.343 58.710 -3.367 17579 4878 1 8 . 1 1 67 67 ILE CB C 102 43.317 43.317 42.162 1.155 17579 4879 1 8 . 1 1 67 67 ILE H H 102 7.954 7.954 8.492 -0.538 17579 4880 1 8 . 1 1 68 68 PHE N N 103 122.272 122.272 124.172 -1.900 17579 4881 1 8 . 1 1 68 68 PHE HA H 103 5.945 5.945 5.259 0.686 17579 4882 1 8 . 1 1 68 68 PHE C C 103 176.374 176.374 173.980 2.394 17579 4883 1 8 . 1 1 68 68 PHE CA C 103 56.520 56.520 54.965 1.555 17579 4884 1 8 . 1 1 68 68 PHE CB C 103 40.518 40.518 41.434 -0.916 17579 4885 1 8 . 1 1 68 68 PHE H H 103 8.087 8.087 7.989 0.098 17579 4886 1 8 . 1 1 69 69 ILE N N 104 114.672 114.672 117.378 -2.706 17579 4887 1 8 . 1 1 69 69 ILE HA H 104 2.991 2.991 4.498 -1.507 17579 4888 1 8 . 1 1 69 69 ILE C C 104 175.387 175.387 174.114 1.273 17579 4889 1 8 . 1 1 69 69 ILE CA C 104 57.903 57.903 58.009 -0.106 17579 4890 1 8 . 1 1 69 69 ILE CB C 104 38.207 38.207 40.302 -2.095 17579 4891 1 8 . 1 1 69 69 ILE H H 104 8.847 8.847 9.117 -0.270 17579 4892 1 8 . 1 1 70 70 PRO HA H 105 3.918 3.918 4.604 -0.686 17579 4893 1 8 . 1 1 70 70 PRO C C 105 177.442 177.442 175.863 1.579 17579 4894 1 8 . 1 1 70 70 PRO CA C 105 64.823 64.823 63.094 1.729 17579 4895 1 8 . 1 1 70 70 PRO CB C 105 35.906 35.906 30.053 5.853 17579 4896 1 8 . 1 1 71 71 SER N N 106 113.113 113.113 117.489 -4.376 17579 4897 1 8 . 1 1 71 71 SER HA H 106 4.261 4.261 4.730 -0.469 17579 4898 1 8 . 1 1 71 71 SER C C 106 175.111 175.111 174.771 0.340 17579 4899 1 8 . 1 1 71 71 SER CA C 106 60.111 60.111 57.176 2.935 17579 4900 1 8 . 1 1 71 71 SER CB C 106 63.687 63.687 64.854 -1.167 17579 4901 1 8 . 1 1 71 71 SER H H 106 7.904 7.904 8.286 -0.382 17579 4902 1 8 . 1 1 72 72 LYS N N 107 119.830 119.830 126.382 -6.552 17579 4903 1 8 . 1 1 72 72 LYS HA H 107 4.187 4.187 3.844 0.343 17579 4904 1 8 . 1 1 72 72 LYS CA C 107 58.783 58.783 59.977 -1.194 17579 4905 1 8 . 1 1 72 72 LYS CB C 107 30.951 30.951 32.322 -1.371 17579 4906 1 8 . 1 1 72 72 LYS H H 107 8.314 8.314 8.933 -0.619 17579 4907 1 8 . 1 1 73 73 GLN N N 108 123.860 123.860 118.257 5.603 17579 4908 1 8 . 1 1 73 73 GLN HA H 108 4.001 4.001 4.058 -0.057 17579 4909 1 8 . 1 1 73 73 GLN CA C 108 58.831 58.831 59.448 -0.617 17579 4910 1 8 . 1 1 73 73 GLN CB C 108 28.451 28.451 28.153 0.298 17579 4911 1 8 . 1 1 73 73 GLN H H 108 8.510 8.510 8.657 -0.147 17579 4912 1 8 . 1 1 74 74 ASP N N 109 121.145 121.145 120.521 0.624 17579 4913 1 8 . 1 1 74 74 ASP HA H 109 4.389 4.389 4.375 0.014 17579 4914 1 8 . 1 1 74 74 ASP C C 109 178.552 178.552 178.707 -0.155 17579 4915 1 8 . 1 1 74 74 ASP H H 109 7.966 7.966 8.221 -0.255 17579 4916 1 8 . 1 1 75 75 LEU N N 110 121.098 121.098 120.582 0.516 17579 4917 1 8 . 1 1 75 75 LEU HA H 110 3.955 3.955 3.970 -0.015 17579 4918 1 8 . 1 1 75 75 LEU C C 110 178.953 178.953 178.803 0.150 17579 4919 1 8 . 1 1 75 75 LEU CA C 110 56.538 56.538 57.810 -1.272 17579 4920 1 8 . 1 1 75 75 LEU CB C 110 40.845 40.845 41.900 -1.055 17579 4921 1 8 . 1 1 75 75 LEU H H 110 7.932 7.932 8.321 -0.389 17579 4922 1 8 . 1 1 76 76 GLY N N 111 105.659 105.659 106.397 -0.738 17579 4923 1 8 . 1 1 76 76 GLY C C 111 175.510 175.510 175.516 -0.006 17579 4924 1 8 . 1 1 76 76 GLY CA C 111 47.037 47.037 47.272 -0.235 17579 4925 1 8 . 1 1 76 76 GLY H H 111 8.006 8.006 8.319 -0.313 17579 4926 1 8 . 1 1 77 77 ALA N N 112 122.987 122.987 124.187 -1.200 17579 4927 1 8 . 1 1 77 77 ALA HA H 112 4.112 4.112 4.122 -0.010 17579 4928 1 8 . 1 1 77 77 ALA C C 112 179.350 179.350 179.586 -0.236 17579 4929 1 8 . 1 1 77 77 ALA CA C 112 53.930 53.930 54.610 -0.680 17579 4930 1 8 . 1 1 77 77 ALA CB C 112 18.727 18.727 18.250 0.477 17579 4931 1 8 . 1 1 77 77 ALA H H 112 7.824 7.824 7.924 -0.100 17579 4932 1 8 . 1 1 78 78 ALA N N 113 121.466 121.466 121.145 0.321 17579 4933 1 8 . 1 1 78 78 ALA HA H 113 4.189 4.189 3.969 0.220 17579 4934 1 8 . 1 1 78 78 ALA C C 113 177.368 177.368 179.342 -1.974 17579 4935 1 8 . 1 1 78 78 ALA CA C 113 53.750 53.750 54.761 -1.011 17579 4936 1 8 . 1 1 78 78 ALA CB C 113 19.231 19.231 18.824 0.407 17579 4937 1 8 . 1 1 78 78 ALA H H 113 7.785 7.785 7.933 -0.148 17579 4938 1 8 . 1 1 79 79 GLY N N 114 104.016 104.016 106.366 -2.350 17579 4939 1 8 . 1 1 79 79 GLY CA C 114 45.256 45.256 45.606 -0.350 17579 4940 1 8 . 1 1 79 79 GLY H H 114 7.742 7.742 8.074 -0.332 17579 4941 1 8 . 1 1 80 80 ALA HA H 115 4.100 4.100 4.615 -0.515 17579 4942 1 8 . 1 1 80 80 ALA C C 115 176.526 176.526 176.183 0.343 17579 4943 1 8 . 1 1 80 80 ALA CA C 115 53.482 53.482 52.047 1.435 17579 4944 1 8 . 1 1 80 80 ALA CB C 115 19.825 19.825 19.620 0.204 17579 4945 1 8 . 1 1 81 81 THR N N 116 116.236 116.236 116.553 -0.317 17579 4946 1 8 . 1 1 81 81 THR HA H 116 4.718 4.718 4.011 0.707 17579 4947 1 8 . 1 1 81 81 THR CA C 116 57.275 57.275 64.680 -7.404 17579 4948 1 8 . 1 1 81 81 THR CB C 116 64.878 64.878 68.863 -3.985 17579 4949 1 8 . 1 1 81 81 THR H H 116 8.068 8.068 8.633 -0.565 17579 4950 1 8 . 1 1 84 84 PRO HA H 119 4.072 4.072 4.491 -0.419 17579 4951 1 8 . 1 1 84 84 PRO CB C 119 32.154 32.154 32.295 -0.141 17579 4952 1 8 . 1 1 85 85 THR N N 120 119.680 119.680 115.372 4.308 17579 4953 1 8 . 1 1 85 85 THR C C 120 175.333 175.333 174.147 1.186 17579 4954 1 8 . 1 1 85 85 THR CB C 120 71.769 71.769 71.847 -0.077 17579 4955 1 8 . 1 1 85 85 THR H H 120 8.002 8.002 7.830 0.172 17579 4956 1 8 . 1 1 86 86 SER N N 121 115.589 115.589 115.158 0.431 17579 4957 1 8 . 1 1 86 86 SER HA H 121 4.325 4.325 4.558 -0.233 17579 4958 1 8 . 1 1 86 86 SER C C 121 172.929 172.929 174.067 -1.138 17579 4959 1 8 . 1 1 86 86 SER CA C 121 59.722 59.722 59.025 0.697 17579 4960 1 8 . 1 1 86 86 SER CB C 121 64.608 64.608 64.219 0.389 17579 4961 1 8 . 1 1 86 86 SER H H 121 7.335 7.335 8.487 -1.152 17579 4962 1 8 . 1 1 87 87 VAL N N 122 116.044 116.044 117.596 -1.552 17579 4963 1 8 . 1 1 87 87 VAL HA H 122 5.200 5.200 4.625 0.575 17579 4964 1 8 . 1 1 87 87 VAL C C 122 172.465 172.465 174.170 -1.705 17579 4965 1 8 . 1 1 87 87 VAL CA C 122 59.819 59.819 61.009 -1.190 17579 4966 1 8 . 1 1 87 87 VAL CB C 122 33.368 33.368 32.967 0.401 17579 4967 1 8 . 1 1 87 87 VAL H H 122 7.152 7.152 7.501 -0.349 17579 4968 1 8 . 1 1 88 88 VAL N N 123 119.350 119.350 125.835 -6.485 17579 4969 1 8 . 1 1 88 88 VAL HA H 123 5.091 5.091 4.733 0.358 17579 4970 1 8 . 1 1 88 88 VAL C C 123 173.214 173.214 174.040 -0.826 17579 4971 1 8 . 1 1 88 88 VAL CA C 123 59.219 59.219 60.865 -1.646 17579 4972 1 8 . 1 1 88 88 VAL CB C 123 36.362 36.362 36.259 0.103 17579 4973 1 8 . 1 1 88 88 VAL H H 123 8.851 8.851 8.749 0.102 17579 4974 1 8 . 1 1 89 89 PHE N N 124 122.568 122.568 125.104 -2.536 17579 4975 1 8 . 1 1 89 89 PHE HA H 124 5.613 5.613 5.311 0.302 17579 4976 1 8 . 1 1 89 89 PHE C C 124 174.887 174.887 175.009 -0.122 17579 4977 1 8 . 1 1 89 89 PHE CA C 124 52.961 52.961 56.006 -3.045 17579 4978 1 8 . 1 1 89 89 PHE CB C 124 42.788 42.788 42.791 -0.003 17579 4979 1 8 . 1 1 89 89 PHE H H 124 9.051 9.051 9.197 -0.146 17579 4980 1 8 . 1 1 90 90 ILE N N 125 127.707 127.707 127.945 -0.238 17579 4981 1 8 . 1 1 90 90 ILE HA H 125 4.264 4.264 4.314 -0.050 17579 4982 1 8 . 1 1 90 90 ILE C C 125 173.870 173.870 175.394 -1.524 17579 4983 1 8 . 1 1 90 90 ILE CA C 125 61.789 61.789 60.090 1.700 17579 4984 1 8 . 1 1 90 90 ILE CB C 125 39.785 39.785 37.331 2.454 17579 4985 1 8 . 1 1 90 90 ILE H H 125 9.477 9.477 9.368 0.109 17579 4986 1 8 . 1 1 91 91 VAL N N 126 126.579 126.579 120.131 6.448 17579 4987 1 8 . 1 1 91 91 VAL HA H 126 4.566 4.566 4.887 -0.321 17579 4988 1 8 . 1 1 91 91 VAL C C 126 173.829 173.829 173.442 0.387 17579 4989 1 8 . 1 1 91 91 VAL CA C 126 58.701 58.701 58.256 0.445 17579 4990 1 8 . 1 1 91 91 VAL CB C 126 32.989 32.989 35.037 -2.048 17579 4991 1 8 . 1 1 91 91 VAL H H 126 8.149 8.149 8.881 -0.732 17579 4992 1 8 . 1 1 92 92 PRO HA H 127 4.035 4.035 4.541 -0.506 17579 4993 1 8 . 1 1 92 92 PRO C C 127 177.766 177.766 177.707 0.059 17579 4994 1 8 . 1 1 92 92 PRO CA C 127 63.684 63.684 62.822 0.862 17579 4995 1 8 . 1 1 92 92 PRO CB C 127 32.178 32.178 32.517 -0.338 17579 4996 1 8 . 1 1 93 93 GLY N N 128 108.618 108.618 108.137 0.481 17579 4997 1 8 . 1 1 93 93 GLY CA C 128 45.787 45.787 45.401 0.385 17579 4998 1 8 . 1 1 93 93 GLY H H 128 7.970 7.970 8.743 -0.773 17579 4999 1 8 . 1 1 94 94 SER N N 129 113.620 113.620 115.241 -1.621 17579 5000 1 8 . 1 1 94 94 SER HA H 129 4.317 4.317 4.685 -0.368 17579 5001 1 8 . 1 1 94 94 SER C C 129 180.379 180.379 174.648 5.731 17579 5002 1 8 . 1 1 94 94 SER CA C 129 58.566 58.566 57.212 1.354 17579 5003 1 8 . 1 1 94 94 SER H H 129 7.952 7.952 8.014 -0.062 17579 5004 1 8 . 1 1 95 95 ASN N N 130 120.775 120.775 120.817 -0.042 17579 5005 1 8 . 1 1 95 95 ASN HA H 130 3.964 3.964 4.645 -0.681 17579 5006 1 8 . 1 1 95 95 ASN C C 130 178.664 178.664 176.956 1.708 17579 5007 1 8 . 1 1 95 95 ASN CA C 130 57.689 57.689 55.197 2.492 17579 5008 1 8 . 1 1 95 95 ASN CB C 130 42.288 42.288 38.328 3.959 17579 5009 1 8 . 1 1 95 95 ASN H H 130 8.300 8.300 8.731 -0.431 17579 5010 1 8 . 1 1 96 96 LYS N N 131 119.316 119.316 120.037 -0.721 17579 5011 1 8 . 1 1 96 96 LYS HA H 131 4.095 4.095 4.158 -0.063 17579 5012 1 8 . 1 1 96 96 LYS C C 131 178.290 178.290 177.706 0.584 17579 5013 1 8 . 1 1 96 96 LYS CA C 131 59.062 59.062 59.086 -0.024 17579 5014 1 8 . 1 1 96 96 LYS CB C 131 29.745 29.745 32.270 -2.525 17579 5015 1 8 . 1 1 96 96 LYS H H 131 7.896 7.896 8.455 -0.559 17579 5016 1 8 . 1 1 97 97 LYS N N 132 117.523 117.523 117.877 -0.354 17579 5017 1 8 . 1 1 97 97 LYS C C 132 176.927 176.927 178.531 -1.604 17579 5018 1 8 . 1 1 97 97 LYS CA C 132 58.555 58.555 58.089 0.466 17579 5019 1 8 . 1 1 97 97 LYS CB C 132 30.578 30.578 32.026 -1.448 17579 5020 1 8 . 1 1 97 97 LYS H H 132 7.791 7.791 8.114 -0.323 17579 5021 1 8 . 1 1 98 98 LYS HA H 133 4.236 4.236 4.144 0.092 17579 5022 1 8 . 1 1 98 98 LYS C C 133 176.606 176.606 177.670 -1.064 17579 5023 1 8 . 1 1 98 98 LYS CA C 133 57.225 57.225 58.937 -1.712 17579 5024 1 8 . 1 1 98 98 LYS CB C 133 33.151 33.151 32.670 0.481 17579 5025 1 8 . 1 1 99 99 ASP N N 134 120.311 120.311 116.182 4.129 17579 5026 1 8 . 1 1 99 99 ASP HA H 134 4.584 4.584 4.840 -0.256 17579 5027 1 8 . 1 1 99 99 ASP C C 134 176.899 176.899 176.319 0.580 17579 5028 1 8 . 1 1 99 99 ASP CA C 134 54.402 54.402 54.489 -0.087 17579 5029 1 8 . 1 1 99 99 ASP CB C 134 41.568 41.568 43.270 -1.702 17579 5030 1 8 . 1 1 99 99 ASP H H 134 8.267 8.267 7.654 0.613 17579 5031 1 8 . 1 1 100 100 GLY N N 135 108.751 108.751 108.207 0.544 17579 5032 1 8 . 1 1 100 100 GLY C C 135 174.683 174.683 175.015 -0.332 17579 5033 1 8 . 1 1 100 100 GLY CA C 135 45.985 45.985 44.698 1.287 17579 5034 1 8 . 1 1 100 100 GLY H H 135 8.235 8.235 7.534 0.701 17579 5035 1 8 . 1 1 101 101 LYS N N 136 120.306 120.306 120.976 -0.670 17579 5036 1 8 . 1 1 101 101 LYS HA H 136 4.279 4.279 4.235 0.044 17579 5037 1 8 . 1 1 101 101 LYS C C 136 175.145 175.145 175.780 -0.635 17579 5038 1 8 . 1 1 101 101 LYS CA C 136 56.875 56.875 55.761 1.113 17579 5039 1 8 . 1 1 101 101 LYS CB C 136 32.987 32.987 30.062 2.925 17579 5040 1 8 . 1 1 101 101 LYS H H 136 8.148 8.148 8.391 -0.243 17579 5041 1 8 . 1 1 102 102 ASN N N 137 118.958 118.958 119.420 -0.462 17579 5042 1 8 . 1 1 102 102 ASN HA H 137 4.707 4.707 4.843 -0.136 17579 5043 1 8 . 1 1 102 102 ASN C C 137 175.849 175.849 175.464 0.385 17579 5044 1 8 . 1 1 102 102 ASN CA C 137 53.816 53.816 52.201 1.615 17579 5045 1 8 . 1 1 102 102 ASN CB C 137 39.070 39.070 41.278 -2.208 17579 5046 1 8 . 1 1 102 102 ASN H H 137 8.406 8.406 8.031 0.375 17579 5047 1 8 . 1 1 103 103 LYS N N 138 121.782 121.782 119.954 1.828 17579 5048 1 8 . 1 1 103 103 LYS HA H 138 4.255 4.255 4.136 0.119 17579 5049 1 8 . 1 1 103 103 LYS CA C 138 56.641 56.641 57.918 -1.277 17579 5050 1 8 . 1 1 103 103 LYS CB C 138 32.911 32.911 31.549 1.363 17579 5051 1 8 . 1 1 103 103 LYS H H 138 8.316 8.316 8.573 -0.257 17579 5052 1 8 . 1 1 104 104 GLU N N 139 121.053 121.053 120.211 0.842 17579 5053 1 8 . 1 1 104 104 GLU CA C 139 57.449 57.449 59.670 -2.221 17579 5054 1 8 . 1 1 104 104 GLU CB C 139 29.983 29.983 28.948 1.035 17579 5055 1 8 . 1 1 104 104 GLU H H 139 8.459 8.459 8.598 -0.139 17579 5056 1 8 . 1 1 106 106 GLU N N 141 122.191 122.191 121.334 0.857 17579 5057 1 8 . 1 1 106 106 GLU HA H 141 4.268 4.268 4.038 0.230 17579 5058 1 8 . 1 1 106 106 GLU CA C 141 64.025 64.025 59.153 4.872 17579 5059 1 8 . 1 1 106 106 GLU CB C 141 32.117 32.117 29.592 2.525 17579 5060 1 8 . 1 1 106 106 GLU H H 141 8.291 8.291 8.395 -0.104 17579 5061 1 8 . 1 1 107 107 TYR N N 142 115.802 115.802 118.667 -2.865 17579 5062 1 8 . 1 1 107 107 TYR HA H 142 4.996 4.996 4.137 0.859 17579 5063 1 8 . 1 1 107 107 TYR C C 142 175.381 175.381 178.352 -2.971 17579 5064 1 8 . 1 1 107 107 TYR CA C 142 57.581 57.581 60.596 -3.015 17579 5065 1 8 . 1 1 107 107 TYR CB C 142 39.533 39.533 37.970 1.563 17579 5066 1 8 . 1 1 107 107 TYR H H 142 7.344 7.344 8.655 -1.311 17579 5067 1 8 . 1 1 108 108 LYS N N 143 123.473 123.473 119.175 4.298 17579 5068 1 8 . 1 1 108 108 LYS HA H 143 3.628 3.628 4.107 -0.479 17579 5069 1 8 . 1 1 108 108 LYS C C 143 177.659 177.659 178.806 -1.147 17579 5070 1 8 . 1 1 108 108 LYS CA C 143 59.988 59.988 58.853 1.135 17579 5071 1 8 . 1 1 108 108 LYS CB C 143 32.294 32.294 31.883 0.411 17579 5072 1 8 . 1 1 108 108 LYS H H 143 7.376 7.376 8.531 -1.155 17579 5073 1 8 . 1 1 109 109 GLU N N 144 118.799 118.799 119.625 -0.826 17579 5074 1 8 . 1 1 109 109 GLU HA H 144 4.048 4.048 4.053 -0.005 17579 5075 1 8 . 1 1 109 109 GLU C C 144 179.583 179.583 178.981 0.602 17579 5076 1 8 . 1 1 109 109 GLU CA C 144 60.200 60.200 59.716 0.484 17579 5077 1 8 . 1 1 109 109 GLU CB C 144 29.237 29.237 29.462 -0.225 17579 5078 1 8 . 1 1 109 109 GLU H H 144 8.558 8.558 8.177 0.381 17579 5079 1 8 . 1 1 110 110 SER N N 145 116.121 116.121 115.235 0.886 17579 5080 1 8 . 1 1 110 110 SER HA H 145 4.319 4.319 4.189 0.130 17579 5081 1 8 . 1 1 110 110 SER C C 145 176.522 176.522 176.794 -0.272 17579 5082 1 8 . 1 1 110 110 SER CA C 145 61.990 61.990 61.612 0.378 17579 5083 1 8 . 1 1 110 110 SER CB C 145 63.293 63.293 63.095 0.198 17579 5084 1 8 . 1 1 110 110 SER H H 145 8.094 8.094 7.977 0.117 17579 5085 1 8 . 1 1 111 111 PHE N N 146 122.311 122.311 122.131 0.180 17579 5086 1 8 . 1 1 111 111 PHE HA H 146 4.021 4.021 4.217 -0.196 17579 5087 1 8 . 1 1 111 111 PHE C C 146 176.001 176.001 177.160 -1.159 17579 5088 1 8 . 1 1 111 111 PHE CA C 146 62.504 62.504 59.975 2.529 17579 5089 1 8 . 1 1 111 111 PHE CB C 146 39.861 39.861 38.795 1.066 17579 5090 1 8 . 1 1 111 111 PHE H H 146 8.536 8.536 8.406 0.130 17579 5091 1 8 . 1 1 112 112 ASN N N 147 117.908 117.908 117.528 0.380 17579 5092 1 8 . 1 1 112 112 ASN HA H 147 4.252 4.252 4.212 0.040 17579 5093 1 8 . 1 1 112 112 ASN C C 147 178.315 178.315 177.400 0.915 17579 5094 1 8 . 1 1 112 112 ASN CA C 147 56.226 56.226 56.597 -0.371 17579 5095 1 8 . 1 1 112 112 ASN CB C 147 37.990 37.990 38.358 -0.368 17579 5096 1 8 . 1 1 112 112 ASN H H 147 8.795 8.795 8.782 0.013 17579 5097 1 8 . 1 1 113 113 GLU N N 148 119.868 119.868 120.369 -0.501 17579 5098 1 8 . 1 1 113 113 GLU HA H 148 4.024 4.024 4.065 -0.041 17579 5099 1 8 . 1 1 113 113 GLU C C 148 179.410 179.410 178.950 0.460 17579 5100 1 8 . 1 1 113 113 GLU CA C 148 59.710 59.710 59.294 0.416 17579 5101 1 8 . 1 1 113 113 GLU CB C 148 30.063 30.063 29.499 0.564 17579 5102 1 8 . 1 1 113 113 GLU H H 148 7.764 7.764 7.889 -0.125 17579 5103 1 8 . 1 1 114 114 VAL N N 149 119.684 119.684 117.341 2.343 17579 5104 1 8 . 1 1 114 114 VAL HA H 149 3.544 3.544 3.736 -0.192 17579 5105 1 8 . 1 1 114 114 VAL C C 149 177.613 177.613 178.051 -0.438 17579 5106 1 8 . 1 1 114 114 VAL CA C 149 66.977 66.977 66.350 0.627 17579 5107 1 8 . 1 1 114 114 VAL CB C 149 30.605 30.605 31.198 -0.593 17579 5108 1 8 . 1 1 114 114 VAL H H 149 7.973 7.973 8.003 -0.030 17579 5109 1 8 . 1 1 115 115 VAL N N 150 119.782 119.782 120.813 -1.031 17579 5110 1 8 . 1 1 115 115 VAL HA H 150 3.164 3.164 3.526 -0.362 17579 5111 1 8 . 1 1 115 115 VAL C C 150 177.499 177.499 178.356 -0.857 17579 5112 1 8 . 1 1 115 115 VAL CA C 150 68.301 68.301 66.456 1.845 17579 5113 1 8 . 1 1 115 115 VAL CB C 150 31.483 31.483 30.400 1.083 17579 5114 1 8 . 1 1 115 115 VAL H H 150 8.452 8.452 8.535 -0.083 17579 5115 1 8 . 1 1 116 116 LYS N N 151 118.842 118.842 120.077 -1.235 17579 5116 1 8 . 1 1 116 116 LYS HA H 151 4.024 4.024 4.094 -0.070 17579 5117 1 8 . 1 1 116 116 LYS C C 151 179.862 179.862 179.324 0.538 17579 5118 1 8 . 1 1 116 116 LYS CA C 151 59.947 59.947 59.314 0.633 17579 5119 1 8 . 1 1 116 116 LYS CB C 151 32.481 32.481 32.070 0.411 17579 5120 1 8 . 1 1 116 116 LYS H H 151 7.595 7.595 7.886 -0.291 17579 5121 1 8 . 1 1 117 117 GLU N N 152 120.243 120.243 120.025 0.218 17579 5122 1 8 . 1 1 117 117 GLU HA H 152 4.052 4.052 4.134 -0.082 17579 5123 1 8 . 1 1 117 117 GLU C C 152 179.528 179.528 178.996 0.532 17579 5124 1 8 . 1 1 117 117 GLU CA C 152 60.178 60.178 59.022 1.156 17579 5125 1 8 . 1 1 117 117 GLU CB C 152 29.949 29.949 29.347 0.602 17579 5126 1 8 . 1 1 117 117 GLU H H 152 7.513 7.513 8.054 -0.541 17579 5127 1 8 . 1 1 118 118 VAL N N 153 120.596 120.596 119.795 0.801 17579 5128 1 8 . 1 1 118 118 VAL HA H 153 3.464 3.464 3.876 -0.412 17579 5129 1 8 . 1 1 118 118 VAL C C 153 177.984 177.984 177.519 0.465 17579 5130 1 8 . 1 1 118 118 VAL CA C 153 68.047 68.047 65.285 2.762 17579 5131 1 8 . 1 1 118 118 VAL CB C 153 32.056 32.056 31.578 0.478 17579 5132 1 8 . 1 1 118 118 VAL H H 153 8.649 8.649 7.889 0.760 17579 5133 1 8 . 1 1 119 119 GLN N N 154 118.317 118.317 118.533 -0.216 17579 5134 1 8 . 1 1 119 119 GLN HA H 154 3.986 3.986 4.188 -0.202 17579 5135 1 8 . 1 1 119 119 GLN C C 154 178.984 178.984 177.022 1.962 17579 5136 1 8 . 1 1 119 119 GLN CA C 154 59.716 59.716 58.068 1.648 17579 5137 1 8 . 1 1 119 119 GLN CB C 154 28.261 28.261 29.207 -0.946 17579 5138 1 8 . 1 1 119 119 GLN H H 154 8.947 8.947 7.839 1.108 17579 5139 1 8 . 1 1 120 120 ALA N N 155 120.688 120.688 121.662 -0.974 17579 5140 1 8 . 1 1 120 120 ALA HA H 155 3.484 3.484 4.192 -0.708 17579 5141 1 8 . 1 1 120 120 ALA C C 155 180.759 180.759 178.395 2.364 17579 5142 1 8 . 1 1 120 120 ALA CA C 155 55.257 55.257 53.034 2.223 17579 5143 1 8 . 1 1 120 120 ALA CB C 155 18.446 18.446 19.596 -1.150 17579 5144 1 8 . 1 1 120 120 ALA H H 155 7.494 7.494 7.913 -0.419 17579 5145 1 9 . 1 1 2 2 LYS N N 37 124.936 124.936 123.546 1.390 17579 5146 1 9 . 1 1 2 2 LYS HA H 37 4.053 4.053 4.137 -0.084 17579 5147 1 9 . 1 1 2 2 LYS C C 37 172.929 172.929 177.861 -4.932 17579 5148 1 9 . 1 1 2 2 LYS CA C 37 60.975 60.975 58.624 2.351 17579 5149 1 9 . 1 1 2 2 LYS CB C 37 32.607 32.607 32.211 0.396 17579 5150 1 9 . 1 1 2 2 LYS H H 37 7.564 7.564 8.473 -0.909 17579 5151 1 9 . 1 1 3 3 LYS N N 38 118.300 118.300 118.810 -0.510 17579 5152 1 9 . 1 1 3 3 LYS HA H 38 4.045 4.045 4.027 0.018 17579 5153 1 9 . 1 1 3 3 LYS C C 38 179.361 179.361 178.391 0.970 17579 5154 1 9 . 1 1 3 3 LYS CA C 38 59.930 59.930 58.720 1.210 17579 5155 1 9 . 1 1 3 3 LYS CB C 38 32.885 32.885 31.649 1.236 17579 5156 1 9 . 1 1 3 3 LYS H H 38 8.234 8.234 8.196 0.038 17579 5157 1 9 . 1 1 4 4 LEU N N 39 122.081 122.081 121.314 0.767 17579 5158 1 9 . 1 1 4 4 LEU HA H 39 4.135 4.135 3.885 0.250 17579 5159 1 9 . 1 1 4 4 LEU C C 39 178.433 178.433 178.130 0.303 17579 5160 1 9 . 1 1 4 4 LEU CA C 39 57.726 57.726 57.962 -0.236 17579 5161 1 9 . 1 1 4 4 LEU CB C 39 40.588 40.588 41.628 -1.040 17579 5162 1 9 . 1 1 4 4 LEU H H 39 7.856 7.856 7.836 0.020 17579 5163 1 9 . 1 1 5 5 ASN N N 40 118.758 118.758 115.920 2.838 17579 5164 1 9 . 1 1 5 5 ASN HA H 40 3.994 3.994 4.230 -0.236 17579 5165 1 9 . 1 1 5 5 ASN C C 40 176.246 176.246 177.450 -1.204 17579 5166 1 9 . 1 1 5 5 ASN CA C 40 57.843 57.843 56.358 1.485 17579 5167 1 9 . 1 1 5 5 ASN CB C 40 40.430 40.430 38.458 1.972 17579 5168 1 9 . 1 1 5 5 ASN H H 40 9.241 9.241 7.947 1.294 17579 5169 1 9 . 1 1 6 6 LYS N N 41 115.665 115.665 120.739 -5.074 17579 5170 1 9 . 1 1 6 6 LYS HA H 41 3.929 3.929 3.919 0.010 17579 5171 1 9 . 1 1 6 6 LYS C C 41 179.318 179.318 178.886 0.432 17579 5172 1 9 . 1 1 6 6 LYS CA C 41 60.130 60.130 60.000 0.130 17579 5173 1 9 . 1 1 6 6 LYS CB C 41 32.580 32.580 32.517 0.062 17579 5174 1 9 . 1 1 6 6 LYS H H 41 7.239 7.239 7.993 -0.754 17579 5175 1 9 . 1 1 7 7 LYS N N 42 119.038 119.038 119.002 0.036 17579 5176 1 9 . 1 1 7 7 LYS HA H 42 4.037 4.037 4.034 0.003 17579 5177 1 9 . 1 1 7 7 LYS C C 42 180.428 180.428 179.096 1.332 17579 5178 1 9 . 1 1 7 7 LYS CA C 42 60.178 60.178 59.094 1.084 17579 5179 1 9 . 1 1 7 7 LYS CB C 42 33.670 33.670 32.111 1.559 17579 5180 1 9 . 1 1 7 7 LYS H H 42 7.358 7.358 7.887 -0.529 17579 5181 1 9 . 1 1 8 8 VAL N N 43 122.489 122.489 119.016 3.473 17579 5182 1 9 . 1 1 8 8 VAL HA H 43 3.263 3.263 3.704 -0.441 17579 5183 1 9 . 1 1 8 8 VAL C C 43 177.823 177.823 178.114 -0.291 17579 5184 1 9 . 1 1 8 8 VAL CA C 43 67.836 67.836 67.039 0.797 17579 5185 1 9 . 1 1 8 8 VAL CB C 43 31.523 31.523 31.483 0.040 17579 5186 1 9 . 1 1 8 8 VAL H H 43 9.167 9.167 8.165 1.002 17579 5187 1 9 . 1 1 9 9 LEU N N 44 119.740 119.740 118.429 1.311 17579 5188 1 9 . 1 1 9 9 LEU HA H 44 3.964 3.964 3.975 -0.011 17579 5189 1 9 . 1 1 9 9 LEU C C 44 179.700 179.700 178.929 0.771 17579 5190 1 9 . 1 1 9 9 LEU CA C 44 58.742 58.742 58.555 0.187 17579 5191 1 9 . 1 1 9 9 LEU CB C 44 41.239 41.239 41.210 0.029 17579 5192 1 9 . 1 1 9 9 LEU H H 44 8.437 8.437 8.220 0.217 17579 5193 1 9 . 1 1 10 10 LYS N N 45 119.832 119.832 119.283 0.549 17579 5194 1 9 . 1 1 10 10 LYS HA H 45 4.013 4.013 4.135 -0.122 17579 5195 1 9 . 1 1 10 10 LYS C C 45 178.847 178.847 179.337 -0.490 17579 5196 1 9 . 1 1 10 10 LYS CA C 45 60.146 60.146 59.085 1.061 17579 5197 1 9 . 1 1 10 10 LYS CB C 45 32.583 32.583 31.675 0.908 17579 5198 1 9 . 1 1 10 10 LYS H H 45 7.857 7.857 8.296 -0.439 17579 5199 1 9 . 1 1 11 11 THR N N 46 116.695 116.695 117.681 -0.986 17579 5200 1 9 . 1 1 11 11 THR HA H 46 4.327 4.327 4.120 0.207 17579 5201 1 9 . 1 1 11 11 THR C C 46 176.211 176.211 176.464 -0.253 17579 5202 1 9 . 1 1 11 11 THR CA C 46 68.237 68.237 67.424 0.813 17579 5203 1 9 . 1 1 11 11 THR CB C 46 68.312 68.312 68.925 -0.613 17579 5204 1 9 . 1 1 11 11 THR H H 46 7.796 7.796 8.180 -0.384 17579 5205 1 9 . 1 1 12 12 VAL N N 47 122.013 122.013 121.637 0.376 17579 5206 1 9 . 1 1 12 12 VAL HA H 47 3.235 3.235 3.914 -0.679 17579 5207 1 9 . 1 1 12 12 VAL C C 47 177.909 177.909 177.236 0.673 17579 5208 1 9 . 1 1 12 12 VAL CA C 47 67.838 67.838 65.575 2.263 17579 5209 1 9 . 1 1 12 12 VAL CB C 47 31.706 31.706 31.673 0.033 17579 5210 1 9 . 1 1 12 12 VAL H H 47 8.762 8.762 8.239 0.523 17579 5211 1 9 . 1 1 13 13 LYS N N 48 118.035 118.035 119.511 -1.476 17579 5212 1 9 . 1 1 13 13 LYS HA H 48 3.828 3.828 4.034 -0.206 17579 5213 1 9 . 1 1 13 13 LYS CA C 48 59.960 59.960 58.908 1.052 17579 5214 1 9 . 1 1 13 13 LYS CB C 48 32.837 32.837 32.034 0.803 17579 5215 1 9 . 1 1 13 13 LYS H H 48 7.492 7.492 7.933 -0.441 17579 5216 1 9 . 1 1 14 14 LYS N N 49 120.565 120.565 118.305 2.260 17579 5217 1 9 . 1 1 14 14 LYS HA H 49 3.952 3.952 4.089 -0.137 17579 5218 1 9 . 1 1 14 14 LYS C C 49 179.608 179.608 178.445 1.163 17579 5219 1 9 . 1 1 14 14 LYS CA C 49 59.950 59.950 58.917 1.032 17579 5220 1 9 . 1 1 14 14 LYS CB C 49 33.723 33.723 32.890 0.833 17579 5221 1 9 . 1 1 14 14 LYS H H 49 7.498 7.498 7.932 -0.434 17579 5222 1 9 . 1 1 15 15 ALA N N 50 122.192 122.192 121.124 1.068 17579 5223 1 9 . 1 1 15 15 ALA HA H 50 3.467 3.467 3.757 -0.290 17579 5224 1 9 . 1 1 15 15 ALA C C 50 179.970 179.970 179.198 0.772 17579 5225 1 9 . 1 1 15 15 ALA CA C 50 54.950 54.950 54.063 0.887 17579 5226 1 9 . 1 1 15 15 ALA CB C 50 19.270 19.270 17.510 1.760 17579 5227 1 9 . 1 1 15 15 ALA H H 50 8.529 8.529 7.873 0.656 17579 5228 1 9 . 1 1 16 16 SER N N 51 116.624 116.624 114.025 2.599 17579 5229 1 9 . 1 1 16 16 SER HA H 51 4.696 4.696 4.105 0.591 17579 5230 1 9 . 1 1 16 16 SER C C 51 178.705 178.705 175.853 2.852 17579 5231 1 9 . 1 1 16 16 SER CA C 51 62.206 62.206 61.730 0.476 17579 5232 1 9 . 1 1 16 16 SER CB C 51 62.918 62.918 62.808 0.110 17579 5233 1 9 . 1 1 16 16 SER H H 51 8.542 8.542 8.015 0.527 17579 5234 1 9 . 1 1 17 17 LYS N N 52 124.866 124.866 119.991 4.875 17579 5235 1 9 . 1 1 17 17 LYS HA H 52 4.051 4.051 4.233 -0.182 17579 5236 1 9 . 1 1 17 17 LYS C C 52 177.563 177.563 177.043 0.520 17579 5237 1 9 . 1 1 17 17 LYS CA C 52 59.290 59.290 57.563 1.727 17579 5238 1 9 . 1 1 17 17 LYS CB C 52 32.104 32.104 32.698 -0.594 17579 5239 1 9 . 1 1 17 17 LYS H H 52 7.553 7.553 7.398 0.155 17579 5240 1 9 . 1 1 18 18 ALA N N 53 118.801 118.801 120.472 -1.671 17579 5241 1 9 . 1 1 18 18 ALA HA H 53 4.280 4.280 4.264 0.016 17579 5242 1 9 . 1 1 18 18 ALA C C 53 175.253 175.253 176.447 -1.194 17579 5243 1 9 . 1 1 18 18 ALA CA C 53 52.222 52.222 51.477 0.745 17579 5244 1 9 . 1 1 18 18 ALA CB C 53 19.566 19.566 19.447 0.119 17579 5245 1 9 . 1 1 18 18 ALA H H 53 7.092 7.092 7.408 -0.316 17579 5246 1 9 . 1 1 19 19 LYS N N 54 112.119 112.119 115.649 -3.530 17579 5247 1 9 . 1 1 19 19 LYS HA H 54 4.027 4.027 3.948 0.079 17579 5248 1 9 . 1 1 19 19 LYS C C 54 177.191 177.191 174.744 2.447 17579 5249 1 9 . 1 1 19 19 LYS CA C 54 57.435 57.435 57.147 0.288 17579 5250 1 9 . 1 1 19 19 LYS CB C 54 28.420 28.420 30.165 -1.745 17579 5251 1 9 . 1 1 19 19 LYS H H 54 7.644 7.644 7.641 0.003 17579 5252 1 9 . 1 1 20 20 ASN N N 55 116.236 116.236 114.752 1.484 17579 5253 1 9 . 1 1 20 20 ASN HA H 55 5.090 5.090 4.846 0.244 17579 5254 1 9 . 1 1 20 20 ASN C C 55 173.176 173.176 174.505 -1.329 17579 5255 1 9 . 1 1 20 20 ASN CA C 55 51.617 51.617 53.636 -2.019 17579 5256 1 9 . 1 1 20 20 ASN CB C 55 40.642 40.642 41.362 -0.720 17579 5257 1 9 . 1 1 20 20 ASN H H 55 8.099 8.099 7.839 0.260 17579 5258 1 9 . 1 1 21 21 VAL N N 56 115.268 115.268 119.973 -4.705 17579 5259 1 9 . 1 1 21 21 VAL HA H 56 4.864 4.864 4.091 0.773 17579 5260 1 9 . 1 1 21 21 VAL C C 56 175.526 175.526 174.782 0.744 17579 5261 1 9 . 1 1 21 21 VAL CA C 56 61.314 61.314 62.541 -1.227 17579 5262 1 9 . 1 1 21 21 VAL CB C 56 35.532 35.532 32.300 3.232 17579 5263 1 9 . 1 1 21 21 VAL H H 56 7.621 7.621 7.857 -0.236 17579 5264 1 9 . 1 1 22 22 LYS N N 57 126.903 126.903 129.311 -2.408 17579 5265 1 9 . 1 1 22 22 LYS HA H 57 4.682 4.682 4.677 0.005 17579 5266 1 9 . 1 1 22 22 LYS C C 57 175.564 175.564 175.019 0.545 17579 5267 1 9 . 1 1 22 22 LYS CA C 57 54.694 54.694 54.417 0.277 17579 5268 1 9 . 1 1 22 22 LYS CB C 57 33.975 33.975 34.276 -0.301 17579 5269 1 9 . 1 1 22 22 LYS H H 57 9.006 9.006 8.536 0.470 17579 5270 1 9 . 1 1 23 23 ARG N N 58 122.053 122.053 123.282 -1.229 17579 5271 1 9 . 1 1 23 23 ARG HA H 58 4.850 4.850 4.552 0.298 17579 5272 1 9 . 1 1 23 23 ARG C C 58 176.136 176.136 176.629 -0.493 17579 5273 1 9 . 1 1 23 23 ARG CA C 58 56.100 56.100 55.009 1.091 17579 5274 1 9 . 1 1 23 23 ARG CB C 58 33.752 33.752 31.482 2.270 17579 5275 1 9 . 1 1 23 23 ARG H H 58 8.994 8.994 8.840 0.154 17579 5276 1 9 . 1 1 24 24 GLY N N 59 110.836 110.836 107.730 3.106 17579 5277 1 9 . 1 1 24 24 GLY C C 59 173.053 173.053 174.448 -1.395 17579 5278 1 9 . 1 1 24 24 GLY CA C 59 45.028 45.028 44.336 0.692 17579 5279 1 9 . 1 1 24 24 GLY H H 59 8.205 8.205 8.048 0.157 17579 5280 1 9 . 1 1 25 25 VAL N N 60 119.573 119.573 118.727 0.846 17579 5281 1 9 . 1 1 25 25 VAL HA H 60 4.117 4.117 3.849 0.268 17579 5282 1 9 . 1 1 25 25 VAL C C 60 176.366 176.366 177.048 -0.682 17579 5283 1 9 . 1 1 25 25 VAL CA C 60 67.542 67.542 65.265 2.277 17579 5284 1 9 . 1 1 25 25 VAL CB C 60 32.147 32.147 32.191 -0.044 17579 5285 1 9 . 1 1 25 25 VAL H H 60 8.219 8.219 8.360 -0.141 17579 5286 1 9 . 1 1 26 26 LYS N N 61 117.987 117.987 119.955 -1.968 17579 5287 1 9 . 1 1 26 26 LYS HA H 61 3.896 3.896 4.150 -0.254 17579 5288 1 9 . 1 1 26 26 LYS C C 61 180.230 180.230 178.521 1.709 17579 5289 1 9 . 1 1 26 26 LYS CA C 61 60.492 60.492 59.164 1.328 17579 5290 1 9 . 1 1 26 26 LYS CB C 61 32.356 32.356 31.770 0.586 17579 5291 1 9 . 1 1 26 26 LYS H H 61 8.112 8.112 8.386 -0.274 17579 5292 1 9 . 1 1 27 27 GLU N N 62 117.610 117.610 118.938 -1.328 17579 5293 1 9 . 1 1 27 27 GLU HA H 62 3.937 3.937 4.144 -0.207 17579 5294 1 9 . 1 1 27 27 GLU C C 62 180.103 180.103 179.205 0.898 17579 5295 1 9 . 1 1 27 27 GLU CA C 62 59.119 59.119 59.263 -0.144 17579 5296 1 9 . 1 1 27 27 GLU CB C 62 30.052 30.052 29.276 0.776 17579 5297 1 9 . 1 1 27 27 GLU H H 62 8.493 8.493 8.206 0.287 17579 5298 1 9 . 1 1 28 28 VAL N N 63 120.585 120.585 117.855 2.730 17579 5299 1 9 . 1 1 28 28 VAL HA H 63 3.478 3.478 4.058 -0.580 17579 5300 1 9 . 1 1 28 28 VAL C C 63 176.970 176.970 178.037 -1.067 17579 5301 1 9 . 1 1 28 28 VAL CA C 63 68.197 68.197 66.588 1.609 17579 5302 1 9 . 1 1 28 28 VAL CB C 63 31.632 31.632 31.757 -0.125 17579 5303 1 9 . 1 1 28 28 VAL H H 63 8.241 8.241 8.308 -0.067 17579 5304 1 9 . 1 1 29 29 VAL N N 64 118.622 118.622 120.465 -1.843 17579 5305 1 9 . 1 1 29 29 VAL HA H 64 3.333 3.333 3.839 -0.506 17579 5306 1 9 . 1 1 29 29 VAL C C 64 177.709 177.709 177.844 -0.135 17579 5307 1 9 . 1 1 29 29 VAL CA C 64 67.751 67.751 65.896 1.855 17579 5308 1 9 . 1 1 29 29 VAL CB C 64 31.553 31.553 31.337 0.216 17579 5309 1 9 . 1 1 29 29 VAL H H 64 8.510 8.510 8.079 0.431 17579 5310 1 9 . 1 1 30 30 LYS N N 65 118.138 118.138 119.353 -1.215 17579 5311 1 9 . 1 1 30 30 LYS HA H 65 3.855 3.855 4.058 -0.203 17579 5312 1 9 . 1 1 30 30 LYS C C 65 178.693 178.693 178.745 -0.052 17579 5313 1 9 . 1 1 30 30 LYS CA C 65 59.986 59.986 59.009 0.977 17579 5314 1 9 . 1 1 30 30 LYS CB C 65 32.800 32.800 31.969 0.831 17579 5315 1 9 . 1 1 30 30 LYS H H 65 7.533 7.533 7.997 -0.464 17579 5316 1 9 . 1 1 31 31 ALA N N 66 120.585 120.585 121.399 -0.814 17579 5317 1 9 . 1 1 31 31 ALA HA H 66 4.049 4.049 4.269 -0.220 17579 5318 1 9 . 1 1 31 31 ALA C C 66 179.745 179.745 179.277 0.468 17579 5319 1 9 . 1 1 31 31 ALA CA C 66 55.288 55.288 54.391 0.897 17579 5320 1 9 . 1 1 31 31 ALA CB C 66 19.207 19.207 18.183 1.024 17579 5321 1 9 . 1 1 31 31 ALA H H 66 7.489 7.489 7.986 -0.497 17579 5322 1 9 . 1 1 32 32 LEU N N 67 119.402 119.402 116.512 2.890 17579 5323 1 9 . 1 1 32 32 LEU HA H 67 3.976 3.976 4.193 -0.217 17579 5324 1 9 . 1 1 32 32 LEU C C 67 180.917 180.917 178.555 2.362 17579 5325 1 9 . 1 1 32 32 LEU CA C 67 58.115 58.115 56.703 1.412 17579 5326 1 9 . 1 1 32 32 LEU CB C 67 42.554 42.554 42.107 0.447 17579 5327 1 9 . 1 1 32 32 LEU H H 67 8.332 8.332 7.563 0.769 17579 5328 1 9 . 1 1 33 33 ARG N N 68 116.408 116.408 120.553 -4.145 17579 5329 1 9 . 1 1 33 33 ARG HA H 68 3.787 3.787 4.108 -0.321 17579 5330 1 9 . 1 1 33 33 ARG C C 68 178.472 178.472 177.946 0.526 17579 5331 1 9 . 1 1 33 33 ARG CA C 68 59.581 59.581 58.560 1.021 17579 5332 1 9 . 1 1 33 33 ARG CB C 68 29.946 29.946 30.335 -0.389 17579 5333 1 9 . 1 1 33 33 ARG H H 68 8.147 8.147 7.791 0.356 17579 5334 1 9 . 1 1 34 34 LYS N N 69 117.866 117.866 117.696 0.170 17579 5335 1 9 . 1 1 34 34 LYS HA H 69 4.232 4.232 4.266 -0.034 17579 5336 1 9 . 1 1 34 34 LYS C C 69 177.005 177.005 177.438 -0.433 17579 5337 1 9 . 1 1 34 34 LYS CA C 69 56.788 56.788 55.644 1.144 17579 5338 1 9 . 1 1 34 34 LYS CB C 69 33.008 33.008 32.194 0.813 17579 5339 1 9 . 1 1 34 34 LYS H H 69 7.606 7.606 8.023 -0.417 17579 5340 1 9 . 1 1 35 35 GLY N N 70 106.799 106.799 106.563 0.236 17579 5341 1 9 . 1 1 35 35 GLY C C 70 175.547 175.547 174.178 1.369 17579 5342 1 9 . 1 1 35 35 GLY CA C 70 45.969 45.969 45.258 0.711 17579 5343 1 9 . 1 1 35 35 GLY H H 70 7.678 7.678 8.383 -0.705 17579 5344 1 9 . 1 1 36 36 GLU N N 71 119.492 119.492 120.513 -1.021 17579 5345 1 9 . 1 1 36 36 GLU HA H 71 4.199 4.199 4.196 0.003 17579 5346 1 9 . 1 1 36 36 GLU C C 71 175.625 175.625 174.875 0.750 17579 5347 1 9 . 1 1 36 36 GLU CA C 71 57.696 57.696 55.421 2.275 17579 5348 1 9 . 1 1 36 36 GLU CB C 71 29.620 29.620 28.020 1.600 17579 5349 1 9 . 1 1 36 36 GLU H H 71 7.686 7.686 8.270 -0.584 17579 5350 1 9 . 1 1 37 37 LYS N N 72 118.433 118.433 122.402 -3.969 17579 5351 1 9 . 1 1 37 37 LYS HA H 72 4.863 4.863 4.380 0.483 17579 5352 1 9 . 1 1 37 37 LYS C C 72 175.983 175.983 176.224 -0.241 17579 5353 1 9 . 1 1 37 37 LYS CA C 72 54.299 54.299 54.212 0.087 17579 5354 1 9 . 1 1 37 37 LYS CB C 72 35.140 35.140 33.997 1.143 17579 5355 1 9 . 1 1 37 37 LYS H H 72 8.202 8.202 7.651 0.551 17579 5356 1 9 . 1 1 38 38 GLY N N 73 104.719 104.719 107.382 -2.663 17579 5357 1 9 . 1 1 38 38 GLY C C 73 172.071 172.071 173.407 -1.336 17579 5358 1 9 . 1 1 38 38 GLY CA C 73 46.798 46.798 45.900 0.898 17579 5359 1 9 . 1 1 38 38 GLY H H 73 7.214 7.214 8.897 -1.683 17579 5360 1 9 . 1 1 39 39 LEU N N 74 125.471 125.471 123.247 2.224 17579 5361 1 9 . 1 1 39 39 LEU HA H 74 4.992 4.992 4.960 0.032 17579 5362 1 9 . 1 1 39 39 LEU C C 74 174.651 174.651 174.788 -0.137 17579 5363 1 9 . 1 1 39 39 LEU CA C 74 54.686 54.686 54.837 -0.151 17579 5364 1 9 . 1 1 39 39 LEU CB C 74 47.360 47.360 45.854 1.506 17579 5365 1 9 . 1 1 39 39 LEU H H 74 8.930 8.930 8.272 0.658 17579 5366 1 9 . 1 1 40 40 VAL N N 75 130.975 130.975 127.704 3.271 17579 5367 1 9 . 1 1 40 40 VAL HA H 75 4.649 4.649 3.901 0.748 17579 5368 1 9 . 1 1 40 40 VAL C C 75 173.868 173.868 175.387 -1.519 17579 5369 1 9 . 1 1 40 40 VAL CA C 75 62.513 62.513 61.363 1.150 17579 5370 1 9 . 1 1 40 40 VAL CB C 75 32.856 32.856 30.760 2.096 17579 5371 1 9 . 1 1 40 40 VAL H H 75 8.549 8.549 8.880 -0.331 17579 5372 1 9 . 1 1 41 41 VAL N N 76 127.452 127.452 128.407 -0.955 17579 5373 1 9 . 1 1 41 41 VAL HA H 76 4.645 4.645 4.477 0.168 17579 5374 1 9 . 1 1 41 41 VAL C C 76 173.931 173.931 175.583 -1.652 17579 5375 1 9 . 1 1 41 41 VAL CA C 76 61.015 61.015 61.906 -0.891 17579 5376 1 9 . 1 1 41 41 VAL CB C 76 33.844 33.844 31.361 2.483 17579 5377 1 9 . 1 1 41 41 VAL H H 76 8.754 8.754 8.392 0.362 17579 5378 1 9 . 1 1 42 42 ILE N N 77 126.301 126.301 127.988 -1.687 17579 5379 1 9 . 1 1 42 42 ILE HA H 77 4.455 4.455 5.102 -0.647 17579 5380 1 9 . 1 1 42 42 ILE C C 77 174.965 174.965 175.037 -0.072 17579 5381 1 9 . 1 1 42 42 ILE CA C 77 59.842 59.842 57.637 2.205 17579 5382 1 9 . 1 1 42 42 ILE CB C 77 40.257 40.257 40.729 -0.472 17579 5383 1 9 . 1 1 42 42 ILE H H 77 8.530 8.530 8.879 -0.349 17579 5384 1 9 . 1 1 43 43 ALA N N 78 128.716 128.716 128.920 -0.204 17579 5385 1 9 . 1 1 43 43 ALA HA H 78 4.469 4.469 4.854 -0.385 17579 5386 1 9 . 1 1 43 43 ALA C C 78 177.979 177.979 179.014 -1.035 17579 5387 1 9 . 1 1 43 43 ALA CA C 78 52.398 52.398 50.803 1.595 17579 5388 1 9 . 1 1 43 43 ALA CB C 78 19.600 19.600 18.847 0.753 17579 5389 1 9 . 1 1 43 43 ALA H H 78 8.538 8.538 8.182 0.356 17579 5390 1 9 . 1 1 44 44 GLY N N 79 104.343 104.343 112.095 -7.752 17579 5391 1 9 . 1 1 44 44 GLY C C 79 173.472 173.472 174.854 -1.382 17579 5392 1 9 . 1 1 44 44 GLY CA C 79 46.239 46.239 46.980 -0.741 17579 5393 1 9 . 1 1 44 44 GLY H H 79 9.090 9.090 8.383 0.707 17579 5394 1 9 . 1 1 45 45 ASP N N 80 118.154 118.154 119.377 -1.223 17579 5395 1 9 . 1 1 45 45 ASP HA H 80 4.855 4.855 4.568 0.287 17579 5396 1 9 . 1 1 45 45 ASP C C 80 176.500 176.500 175.619 0.881 17579 5397 1 9 . 1 1 45 45 ASP CA C 80 52.804 52.804 55.017 -2.213 17579 5398 1 9 . 1 1 45 45 ASP CB C 80 39.410 39.410 41.408 -1.998 17579 5399 1 9 . 1 1 45 45 ASP H H 80 8.603 8.603 8.531 0.072 17579 5400 1 9 . 1 1 46 46 ILE N N 81 118.477 118.477 121.383 -2.906 17579 5401 1 9 . 1 1 46 46 ILE HA H 81 4.073 4.073 4.293 -0.220 17579 5402 1 9 . 1 1 46 46 ILE C C 81 173.822 173.822 173.844 -0.022 17579 5403 1 9 . 1 1 46 46 ILE CA C 81 59.882 59.882 60.669 -0.787 17579 5404 1 9 . 1 1 46 46 ILE CB C 81 39.136 39.136 39.586 -0.450 17579 5405 1 9 . 1 1 46 46 ILE H H 81 6.846 6.846 7.476 -0.630 17579 5406 1 9 . 1 1 47 47 SER N N 82 117.552 117.552 121.625 -4.073 17579 5407 1 9 . 1 1 47 47 SER HA H 82 4.628 4.628 4.749 -0.121 17579 5408 1 9 . 1 1 47 47 SER C C 82 176.920 176.920 172.761 4.159 17579 5409 1 9 . 1 1 47 47 SER CA C 82 55.444 55.444 55.457 -0.013 17579 5410 1 9 . 1 1 47 47 SER CB C 82 65.268 65.268 64.016 1.252 17579 5411 1 9 . 1 1 47 47 SER H H 82 7.774 7.774 8.395 -0.621 17579 5412 1 9 . 1 1 48 48 PRO HA H 83 4.259 4.259 4.521 -0.262 17579 5413 1 9 . 1 1 48 48 PRO CA C 83 62.312 62.312 62.570 -0.258 17579 5414 1 9 . 1 1 48 48 PRO CB C 83 30.564 30.564 32.279 -1.715 17579 5415 1 9 . 1 1 49 49 ALA N N 84 122.207 122.207 120.255 1.952 17579 5416 1 9 . 1 1 49 49 ALA HA H 84 3.978 3.978 4.153 -0.175 17579 5417 1 9 . 1 1 49 49 ALA C C 84 178.699 178.699 177.875 0.824 17579 5418 1 9 . 1 1 49 49 ALA CA C 84 54.704 54.704 53.595 1.109 17579 5419 1 9 . 1 1 49 49 ALA CB C 84 19.393 19.393 18.259 1.134 17579 5420 1 9 . 1 1 49 49 ALA H H 84 8.091 8.091 8.380 -0.289 17579 5421 1 9 . 1 1 50 50 ASP N N 85 113.440 113.440 120.198 -6.758 17579 5422 1 9 . 1 1 50 50 ASP HA H 85 4.338 4.338 4.551 -0.213 17579 5423 1 9 . 1 1 50 50 ASP C C 85 177.723 177.723 178.449 -0.726 17579 5424 1 9 . 1 1 50 50 ASP CA C 85 56.203 56.203 56.256 -0.053 17579 5425 1 9 . 1 1 50 50 ASP CB C 85 40.562 40.562 40.668 -0.106 17579 5426 1 9 . 1 1 50 50 ASP H H 85 8.148 8.148 8.304 -0.156 17579 5427 1 9 . 1 1 51 51 VAL N N 86 116.604 116.604 117.613 -1.009 17579 5428 1 9 . 1 1 51 51 VAL HA H 86 3.925 3.925 3.841 0.084 17579 5429 1 9 . 1 1 51 51 VAL C C 86 176.966 176.966 177.359 -0.393 17579 5430 1 9 . 1 1 51 51 VAL CA C 86 65.241 65.241 65.897 -0.656 17579 5431 1 9 . 1 1 51 51 VAL CB C 86 32.467 32.467 30.896 1.571 17579 5432 1 9 . 1 1 51 51 VAL H H 86 7.538 7.538 8.018 -0.480 17579 5433 1 9 . 1 1 52 52 ILE N N 87 108.211 108.211 119.202 -10.991 17579 5434 1 9 . 1 1 52 52 ILE HA H 87 4.565 4.565 3.875 0.690 17579 5435 1 9 . 1 1 52 52 ILE C C 87 178.116 178.116 177.463 0.653 17579 5436 1 9 . 1 1 52 52 ILE CA C 87 60.165 60.165 62.635 -2.470 17579 5437 1 9 . 1 1 52 52 ILE CB C 87 41.048 41.048 35.977 5.071 17579 5438 1 9 . 1 1 52 52 ILE H H 87 7.283 7.283 7.666 -0.383 17579 5439 1 9 . 1 1 53 53 SER N N 88 116.088 116.088 115.289 0.799 17579 5440 1 9 . 1 1 53 53 SER HA H 88 4.538 4.538 4.414 0.124 17579 5441 1 9 . 1 1 53 53 SER CA C 88 61.852 61.852 60.715 1.137 17579 5442 1 9 . 1 1 53 53 SER CB C 88 62.604 62.604 64.156 -1.552 17579 5443 1 9 . 1 1 53 53 SER H H 88 7.845 7.845 7.701 0.144 17579 5444 1 9 . 1 1 54 54 HIS N N 89 121.004 121.004 122.344 -1.340 17579 5445 1 9 . 1 1 54 54 HIS HA H 89 4.590 4.590 4.426 0.164 17579 5446 1 9 . 1 1 54 54 HIS C C 89 176.530 176.530 177.381 -0.851 17579 5447 1 9 . 1 1 54 54 HIS CA C 89 56.554 56.554 58.199 -1.645 17579 5448 1 9 . 1 1 54 54 HIS CB C 89 33.261 33.261 30.485 2.776 17579 5449 1 9 . 1 1 54 54 HIS H H 89 8.450 8.450 8.158 0.292 17579 5450 1 9 . 1 1 55 55 ILE N N 90 123.909 123.909 121.514 2.395 17579 5451 1 9 . 1 1 55 55 ILE HA H 90 4.583 4.583 3.658 0.925 17579 5452 1 9 . 1 1 55 55 ILE CA C 90 62.230 62.230 66.287 -4.058 17579 5453 1 9 . 1 1 55 55 ILE CB C 90 42.418 42.418 34.855 7.563 17579 5454 1 9 . 1 1 55 55 ILE H H 90 8.142 8.142 8.716 -0.574 17579 5455 1 9 . 1 1 56 56 PRO HA H 91 2.974 2.974 4.333 -1.359 17579 5456 1 9 . 1 1 56 56 PRO C C 91 177.132 177.132 179.228 -2.096 17579 5457 1 9 . 1 1 56 56 PRO CA C 91 66.917 66.917 65.745 1.172 17579 5458 1 9 . 1 1 56 56 PRO CB C 91 31.519 31.519 31.208 0.311 17579 5459 1 9 . 1 1 57 57 VAL N N 92 114.761 114.761 119.415 -4.654 17579 5460 1 9 . 1 1 57 57 VAL HA H 92 3.570 3.570 3.786 -0.216 17579 5461 1 9 . 1 1 57 57 VAL C C 92 177.995 177.995 178.190 -0.195 17579 5462 1 9 . 1 1 57 57 VAL CA C 92 66.358 66.358 66.636 -0.278 17579 5463 1 9 . 1 1 57 57 VAL CB C 92 31.694 31.694 31.671 0.023 17579 5464 1 9 . 1 1 57 57 VAL H H 92 6.505 6.505 7.330 -0.825 17579 5465 1 9 . 1 1 58 58 LEU N N 93 120.572 120.572 118.990 1.582 17579 5466 1 9 . 1 1 58 58 LEU HA H 93 4.200 4.200 4.171 0.029 17579 5467 1 9 . 1 1 58 58 LEU C C 93 180.452 180.452 178.648 1.804 17579 5468 1 9 . 1 1 58 58 LEU CA C 93 57.938 57.938 58.514 -0.576 17579 5469 1 9 . 1 1 58 58 LEU CB C 93 43.394 43.394 40.813 2.581 17579 5470 1 9 . 1 1 58 58 LEU H H 93 7.432 7.432 8.604 -1.172 17579 5471 1 9 . 1 1 59 59 CYS N N 94 117.330 117.330 118.540 -1.210 17579 5472 1 9 . 1 1 59 59 CYS HA H 94 3.827 3.827 4.184 -0.357 17579 5473 1 9 . 1 1 59 59 CYS C C 94 177.986 177.986 176.975 1.011 17579 5474 1 9 . 1 1 59 59 CYS CA C 94 65.483 65.483 63.060 2.423 17579 5475 1 9 . 1 1 59 59 CYS CB C 94 26.552 26.552 27.455 -0.903 17579 5476 1 9 . 1 1 59 59 CYS H H 94 8.423 8.423 8.145 0.278 17579 5477 1 9 . 1 1 60 60 GLU N N 95 120.766 120.766 119.240 1.526 17579 5478 1 9 . 1 1 60 60 GLU HA H 95 3.512 3.512 4.166 -0.654 17579 5479 1 9 . 1 1 60 60 GLU C C 95 180.736 180.736 177.239 3.497 17579 5480 1 9 . 1 1 60 60 GLU CA C 95 59.909 59.909 58.526 1.383 17579 5481 1 9 . 1 1 60 60 GLU CB C 95 29.108 29.108 29.548 -0.440 17579 5482 1 9 . 1 1 60 60 GLU H H 95 8.237 8.237 7.997 0.240 17579 5483 1 9 . 1 1 61 61 ASP N N 96 120.591 120.591 118.641 1.950 17579 5484 1 9 . 1 1 61 61 ASP HA H 96 4.311 4.311 4.572 -0.261 17579 5485 1 9 . 1 1 61 61 ASP C C 96 178.004 178.004 177.522 0.482 17579 5486 1 9 . 1 1 61 61 ASP CA C 96 57.549 57.549 56.051 1.498 17579 5487 1 9 . 1 1 61 61 ASP CB C 96 41.083 41.083 41.503 -0.420 17579 5488 1 9 . 1 1 61 61 ASP H H 96 8.345 8.345 7.928 0.417 17579 5489 1 9 . 1 1 62 62 HIS N N 97 115.844 115.844 115.646 0.198 17579 5490 1 9 . 1 1 62 62 HIS HA H 97 4.575 4.575 4.812 -0.237 17579 5491 1 9 . 1 1 62 62 HIS C C 97 173.728 173.728 174.321 -0.593 17579 5492 1 9 . 1 1 62 62 HIS CA C 97 57.418 57.418 55.783 1.635 17579 5493 1 9 . 1 1 62 62 HIS CB C 97 30.067 30.067 32.198 -2.131 17579 5494 1 9 . 1 1 62 62 HIS H H 97 7.663 7.663 7.918 -0.255 17579 5495 1 9 . 1 1 63 63 SER N N 98 114.813 114.813 113.209 1.604 17579 5496 1 9 . 1 1 63 63 SER HA H 98 4.097 4.097 4.145 -0.048 17579 5497 1 9 . 1 1 63 63 SER C C 98 173.789 173.789 173.871 -0.082 17579 5498 1 9 . 1 1 63 63 SER CA C 98 59.255 59.255 58.609 0.646 17579 5499 1 9 . 1 1 63 63 SER CB C 98 61.602 61.602 61.084 0.518 17579 5500 1 9 . 1 1 63 63 SER H H 98 7.861 7.861 8.058 -0.197 17579 5501 1 9 . 1 1 64 64 VAL N N 99 123.227 123.227 121.905 1.322 17579 5502 1 9 . 1 1 64 64 VAL HA H 99 4.157 4.157 4.202 -0.045 17579 5503 1 9 . 1 1 64 64 VAL C C 99 174.345 174.345 174.832 -0.487 17579 5504 1 9 . 1 1 64 64 VAL CA C 99 58.923 58.923 61.852 -2.929 17579 5505 1 9 . 1 1 64 64 VAL CB C 99 35.133 35.133 33.203 1.930 17579 5506 1 9 . 1 1 64 64 VAL H H 99 8.603 8.603 7.396 1.207 17579 5507 1 9 . 1 1 65 65 PRO HA H 100 4.260 4.260 4.448 -0.188 17579 5508 1 9 . 1 1 65 65 PRO C C 100 173.335 173.335 175.179 -1.844 17579 5509 1 9 . 1 1 65 65 PRO CA C 100 63.165 63.165 63.015 0.150 17579 5510 1 9 . 1 1 65 65 PRO CB C 100 32.083 32.083 30.109 1.974 17579 5511 1 9 . 1 1 66 66 TYR N N 101 114.840 114.840 124.898 -10.058 17579 5512 1 9 . 1 1 66 66 TYR HA H 101 5.900 5.900 4.748 1.151 17579 5513 1 9 . 1 1 66 66 TYR C C 101 170.503 170.503 173.210 -2.707 17579 5514 1 9 . 1 1 66 66 TYR CA C 101 53.986 53.986 56.615 -2.629 17579 5515 1 9 . 1 1 66 66 TYR CB C 101 41.998 41.998 40.735 1.263 17579 5516 1 9 . 1 1 66 66 TYR H H 101 6.219 6.219 7.985 -1.766 17579 5517 1 9 . 1 1 67 67 ILE N N 102 112.118 112.118 124.122 -12.004 17579 5518 1 9 . 1 1 67 67 ILE HA H 102 4.488 4.488 4.055 0.433 17579 5519 1 9 . 1 1 67 67 ILE C C 102 171.963 171.963 173.220 -1.257 17579 5520 1 9 . 1 1 67 67 ILE CA C 102 55.343 55.343 58.631 -3.288 17579 5521 1 9 . 1 1 67 67 ILE CB C 102 43.317 43.317 42.046 1.271 17579 5522 1 9 . 1 1 67 67 ILE H H 102 7.954 7.954 8.637 -0.683 17579 5523 1 9 . 1 1 68 68 PHE N N 103 122.272 122.272 123.430 -1.158 17579 5524 1 9 . 1 1 68 68 PHE HA H 103 5.945 5.945 5.301 0.644 17579 5525 1 9 . 1 1 68 68 PHE C C 103 176.374 176.374 174.141 2.233 17579 5526 1 9 . 1 1 68 68 PHE CA C 103 56.520 56.520 55.201 1.319 17579 5527 1 9 . 1 1 68 68 PHE CB C 103 40.518 40.518 41.226 -0.708 17579 5528 1 9 . 1 1 68 68 PHE H H 103 8.087 8.087 7.593 0.494 17579 5529 1 9 . 1 1 69 69 ILE N N 104 114.672 114.672 115.645 -0.973 17579 5530 1 9 . 1 1 69 69 ILE HA H 104 2.991 2.991 4.740 -1.749 17579 5531 1 9 . 1 1 69 69 ILE C C 104 175.387 175.387 173.975 1.412 17579 5532 1 9 . 1 1 69 69 ILE CA C 104 57.903 57.903 58.255 -0.352 17579 5533 1 9 . 1 1 69 69 ILE CB C 104 38.207 38.207 40.129 -1.922 17579 5534 1 9 . 1 1 69 69 ILE H H 104 8.847 8.847 9.041 -0.194 17579 5535 1 9 . 1 1 70 70 PRO HA H 105 3.918 3.918 4.626 -0.708 17579 5536 1 9 . 1 1 70 70 PRO C C 105 177.442 177.442 176.130 1.312 17579 5537 1 9 . 1 1 70 70 PRO CA C 105 64.823 64.823 63.149 1.674 17579 5538 1 9 . 1 1 70 70 PRO CB C 105 35.906 35.906 30.246 5.660 17579 5539 1 9 . 1 1 71 71 SER N N 106 113.113 113.113 118.185 -5.072 17579 5540 1 9 . 1 1 71 71 SER HA H 106 4.261 4.261 4.677 -0.416 17579 5541 1 9 . 1 1 71 71 SER C C 106 175.111 175.111 174.381 0.730 17579 5542 1 9 . 1 1 71 71 SER CA C 106 60.111 60.111 57.843 2.268 17579 5543 1 9 . 1 1 71 71 SER CB C 106 63.687 63.687 65.329 -1.642 17579 5544 1 9 . 1 1 71 71 SER H H 106 7.904 7.904 8.184 -0.280 17579 5545 1 9 . 1 1 72 72 LYS N N 107 119.830 119.830 124.707 -4.877 17579 5546 1 9 . 1 1 72 72 LYS HA H 107 4.187 4.187 3.931 0.256 17579 5547 1 9 . 1 1 72 72 LYS CA C 107 58.783 58.783 60.033 -1.250 17579 5548 1 9 . 1 1 72 72 LYS CB C 107 30.951 30.951 32.408 -1.457 17579 5549 1 9 . 1 1 72 72 LYS H H 107 8.314 8.314 8.759 -0.445 17579 5550 1 9 . 1 1 73 73 GLN N N 108 123.860 123.860 118.589 5.271 17579 5551 1 9 . 1 1 73 73 GLN HA H 108 4.001 4.001 4.025 -0.024 17579 5552 1 9 . 1 1 73 73 GLN CA C 108 58.831 58.831 59.285 -0.454 17579 5553 1 9 . 1 1 73 73 GLN CB C 108 28.451 28.451 27.715 0.736 17579 5554 1 9 . 1 1 73 73 GLN H H 108 8.510 8.510 8.576 -0.066 17579 5555 1 9 . 1 1 74 74 ASP N N 109 121.145 121.145 119.597 1.548 17579 5556 1 9 . 1 1 74 74 ASP HA H 109 4.389 4.389 4.340 0.049 17579 5557 1 9 . 1 1 74 74 ASP C C 109 178.552 178.552 178.944 -0.392 17579 5558 1 9 . 1 1 74 74 ASP H H 109 7.966 7.966 7.680 0.286 17579 5559 1 9 . 1 1 75 75 LEU N N 110 121.098 121.098 120.659 0.439 17579 5560 1 9 . 1 1 75 75 LEU HA H 110 3.955 3.955 3.952 0.003 17579 5561 1 9 . 1 1 75 75 LEU C C 110 178.953 178.953 179.006 -0.053 17579 5562 1 9 . 1 1 75 75 LEU CA C 110 56.538 56.538 57.748 -1.210 17579 5563 1 9 . 1 1 75 75 LEU CB C 110 40.845 40.845 41.990 -1.145 17579 5564 1 9 . 1 1 75 75 LEU H H 110 7.932 7.932 8.192 -0.260 17579 5565 1 9 . 1 1 76 76 GLY N N 111 105.659 105.659 106.896 -1.237 17579 5566 1 9 . 1 1 76 76 GLY C C 111 175.510 175.510 175.372 0.138 17579 5567 1 9 . 1 1 76 76 GLY CA C 111 47.037 47.037 46.719 0.318 17579 5568 1 9 . 1 1 76 76 GLY H H 111 8.006 8.006 8.423 -0.417 17579 5569 1 9 . 1 1 77 77 ALA N N 112 122.987 122.987 124.248 -1.261 17579 5570 1 9 . 1 1 77 77 ALA HA H 112 4.112 4.112 3.933 0.179 17579 5571 1 9 . 1 1 77 77 ALA C C 112 179.350 179.350 179.638 -0.288 17579 5572 1 9 . 1 1 77 77 ALA CA C 112 53.930 53.930 54.833 -0.903 17579 5573 1 9 . 1 1 77 77 ALA CB C 112 18.727 18.727 18.491 0.236 17579 5574 1 9 . 1 1 77 77 ALA H H 112 7.824 7.824 7.932 -0.108 17579 5575 1 9 . 1 1 78 78 ALA N N 113 121.466 121.466 119.753 1.713 17579 5576 1 9 . 1 1 78 78 ALA HA H 113 4.189 4.189 4.100 0.089 17579 5577 1 9 . 1 1 78 78 ALA C C 113 177.368 177.368 178.779 -1.411 17579 5578 1 9 . 1 1 78 78 ALA CA C 113 53.750 53.750 54.187 -0.437 17579 5579 1 9 . 1 1 78 78 ALA CB C 113 19.231 19.231 19.254 -0.023 17579 5580 1 9 . 1 1 78 78 ALA H H 113 7.785 7.785 7.946 -0.161 17579 5581 1 9 . 1 1 79 79 GLY N N 114 104.016 104.016 103.416 0.600 17579 5582 1 9 . 1 1 79 79 GLY CA C 114 45.256 45.256 43.983 1.273 17579 5583 1 9 . 1 1 79 79 GLY H H 114 7.742 7.742 7.873 -0.131 17579 5584 1 9 . 1 1 80 80 ALA HA H 115 4.100 4.100 4.043 0.057 17579 5585 1 9 . 1 1 80 80 ALA C C 115 176.526 176.526 176.189 0.337 17579 5586 1 9 . 1 1 80 80 ALA CA C 115 53.482 53.482 52.124 1.358 17579 5587 1 9 . 1 1 80 80 ALA CB C 115 19.825 19.825 17.562 2.263 17579 5588 1 9 . 1 1 81 81 THR N N 116 116.236 116.236 115.551 0.685 17579 5589 1 9 . 1 1 81 81 THR HA H 116 4.718 4.718 4.107 0.611 17579 5590 1 9 . 1 1 81 81 THR CA C 116 57.275 57.275 62.347 -5.072 17579 5591 1 9 . 1 1 81 81 THR CB C 116 64.878 64.878 69.270 -4.392 17579 5592 1 9 . 1 1 81 81 THR H H 116 8.068 8.068 8.138 -0.070 17579 5593 1 9 . 1 1 84 84 PRO HA H 119 4.072 4.072 4.567 -0.495 17579 5594 1 9 . 1 1 84 84 PRO CB C 119 32.154 32.154 32.007 0.147 17579 5595 1 9 . 1 1 85 85 THR N N 120 119.680 119.680 119.360 0.320 17579 5596 1 9 . 1 1 85 85 THR C C 120 175.333 175.333 174.186 1.147 17579 5597 1 9 . 1 1 85 85 THR CB C 120 71.769 71.769 71.096 0.673 17579 5598 1 9 . 1 1 85 85 THR H H 120 8.002 8.002 7.935 0.067 17579 5599 1 9 . 1 1 86 86 SER N N 121 115.589 115.589 114.529 1.060 17579 5600 1 9 . 1 1 86 86 SER HA H 121 4.325 4.325 4.623 -0.298 17579 5601 1 9 . 1 1 86 86 SER C C 121 172.929 172.929 173.253 -0.324 17579 5602 1 9 . 1 1 86 86 SER CA C 121 59.722 59.722 59.105 0.617 17579 5603 1 9 . 1 1 86 86 SER CB C 121 64.608 64.608 64.300 0.308 17579 5604 1 9 . 1 1 86 86 SER H H 121 7.335 7.335 8.490 -1.155 17579 5605 1 9 . 1 1 87 87 VAL N N 122 116.044 116.044 119.516 -3.472 17579 5606 1 9 . 1 1 87 87 VAL HA H 122 5.200 5.200 4.526 0.674 17579 5607 1 9 . 1 1 87 87 VAL C C 122 172.465 172.465 174.157 -1.692 17579 5608 1 9 . 1 1 87 87 VAL CA C 122 59.819 59.819 60.355 -0.536 17579 5609 1 9 . 1 1 87 87 VAL CB C 122 33.368 33.368 31.959 1.409 17579 5610 1 9 . 1 1 87 87 VAL H H 122 7.152 7.152 7.545 -0.393 17579 5611 1 9 . 1 1 88 88 VAL N N 123 119.350 119.350 126.191 -6.841 17579 5612 1 9 . 1 1 88 88 VAL HA H 123 5.091 5.091 4.730 0.361 17579 5613 1 9 . 1 1 88 88 VAL C C 123 173.214 173.214 174.216 -1.002 17579 5614 1 9 . 1 1 88 88 VAL CA C 123 59.219 59.219 61.045 -1.826 17579 5615 1 9 . 1 1 88 88 VAL CB C 123 36.362 36.362 36.229 0.133 17579 5616 1 9 . 1 1 88 88 VAL H H 123 8.851 8.851 8.641 0.210 17579 5617 1 9 . 1 1 89 89 PHE N N 124 122.568 122.568 124.933 -2.365 17579 5618 1 9 . 1 1 89 89 PHE HA H 124 5.613 5.613 5.267 0.346 17579 5619 1 9 . 1 1 89 89 PHE C C 124 174.887 174.887 174.857 0.030 17579 5620 1 9 . 1 1 89 89 PHE CA C 124 52.961 52.961 56.146 -3.185 17579 5621 1 9 . 1 1 89 89 PHE CB C 124 42.788 42.788 43.148 -0.360 17579 5622 1 9 . 1 1 89 89 PHE H H 124 9.051 9.051 9.236 -0.185 17579 5623 1 9 . 1 1 90 90 ILE N N 125 127.707 127.707 127.276 0.431 17579 5624 1 9 . 1 1 90 90 ILE HA H 125 4.264 4.264 4.363 -0.099 17579 5625 1 9 . 1 1 90 90 ILE C C 125 173.870 173.870 175.740 -1.870 17579 5626 1 9 . 1 1 90 90 ILE CA C 125 61.789 61.789 59.720 2.069 17579 5627 1 9 . 1 1 90 90 ILE CB C 125 39.785 39.785 38.081 1.704 17579 5628 1 9 . 1 1 90 90 ILE H H 125 9.477 9.477 9.492 -0.015 17579 5629 1 9 . 1 1 91 91 VAL N N 126 126.579 126.579 121.501 5.078 17579 5630 1 9 . 1 1 91 91 VAL HA H 126 4.566 4.566 4.744 -0.178 17579 5631 1 9 . 1 1 91 91 VAL C C 126 173.829 173.829 173.513 0.316 17579 5632 1 9 . 1 1 91 91 VAL CA C 126 58.701 58.701 58.393 0.308 17579 5633 1 9 . 1 1 91 91 VAL CB C 126 32.989 32.989 32.032 0.957 17579 5634 1 9 . 1 1 91 91 VAL H H 126 8.149 8.149 9.001 -0.852 17579 5635 1 9 . 1 1 92 92 PRO HA H 127 4.035 4.035 4.547 -0.512 17579 5636 1 9 . 1 1 92 92 PRO C C 127 177.766 177.766 177.276 0.490 17579 5637 1 9 . 1 1 92 92 PRO CA C 127 63.684 63.684 62.801 0.883 17579 5638 1 9 . 1 1 92 92 PRO CB C 127 32.178 32.178 32.179 -0.001 17579 5639 1 9 . 1 1 93 93 GLY N N 128 108.618 108.618 109.889 -1.271 17579 5640 1 9 . 1 1 93 93 GLY CA C 128 45.787 45.787 44.729 1.058 17579 5641 1 9 . 1 1 93 93 GLY H H 128 7.970 7.970 8.341 -0.370 17579 5642 1 9 . 1 1 94 94 SER N N 129 113.620 113.620 114.339 -0.719 17579 5643 1 9 . 1 1 94 94 SER HA H 129 4.317 4.317 4.474 -0.157 17579 5644 1 9 . 1 1 94 94 SER C C 129 180.379 180.379 176.231 4.148 17579 5645 1 9 . 1 1 94 94 SER CA C 129 58.566 58.566 59.304 -0.738 17579 5646 1 9 . 1 1 94 94 SER H H 129 7.952 7.952 8.253 -0.301 17579 5647 1 9 . 1 1 95 95 ASN N N 130 120.775 120.775 119.950 0.825 17579 5648 1 9 . 1 1 95 95 ASN HA H 130 3.964 3.964 4.562 -0.598 17579 5649 1 9 . 1 1 95 95 ASN C C 130 178.664 178.664 176.979 1.685 17579 5650 1 9 . 1 1 95 95 ASN CA C 130 57.689 57.689 55.550 2.139 17579 5651 1 9 . 1 1 95 95 ASN CB C 130 42.288 42.288 37.990 4.298 17579 5652 1 9 . 1 1 95 95 ASN H H 130 8.300 8.300 8.644 -0.344 17579 5653 1 9 . 1 1 96 96 LYS N N 131 119.316 119.316 119.471 -0.155 17579 5654 1 9 . 1 1 96 96 LYS HA H 131 4.095 4.095 4.188 -0.093 17579 5655 1 9 . 1 1 96 96 LYS C C 131 178.290 178.290 177.753 0.537 17579 5656 1 9 . 1 1 96 96 LYS CA C 131 59.062 59.062 58.456 0.606 17579 5657 1 9 . 1 1 96 96 LYS CB C 131 29.745 29.745 32.372 -2.627 17579 5658 1 9 . 1 1 96 96 LYS H H 131 7.896 7.896 8.267 -0.371 17579 5659 1 9 . 1 1 97 97 LYS N N 132 117.523 117.523 119.999 -2.476 17579 5660 1 9 . 1 1 97 97 LYS C C 132 176.927 176.927 179.381 -2.454 17579 5661 1 9 . 1 1 97 97 LYS CA C 132 58.555 58.555 59.347 -0.792 17579 5662 1 9 . 1 1 97 97 LYS CB C 132 30.578 30.578 32.222 -1.644 17579 5663 1 9 . 1 1 97 97 LYS H H 132 7.791 7.791 8.063 -0.272 17579 5664 1 9 . 1 1 98 98 LYS HA H 133 4.236 4.236 4.152 0.084 17579 5665 1 9 . 1 1 98 98 LYS C C 133 176.606 176.606 177.972 -1.366 17579 5666 1 9 . 1 1 98 98 LYS CA C 133 57.225 57.225 58.494 -1.269 17579 5667 1 9 . 1 1 98 98 LYS CB C 133 33.151 33.151 32.248 0.903 17579 5668 1 9 . 1 1 99 99 ASP N N 134 120.311 120.311 118.071 2.240 17579 5669 1 9 . 1 1 99 99 ASP HA H 134 4.584 4.584 4.774 -0.190 17579 5670 1 9 . 1 1 99 99 ASP C C 134 176.899 176.899 176.601 0.298 17579 5671 1 9 . 1 1 99 99 ASP CA C 134 54.402 54.402 53.368 1.034 17579 5672 1 9 . 1 1 99 99 ASP CB C 134 41.568 41.568 40.362 1.206 17579 5673 1 9 . 1 1 99 99 ASP H H 134 8.267 8.267 7.589 0.678 17579 5674 1 9 . 1 1 100 100 GLY N N 135 108.751 108.751 107.746 1.005 17579 5675 1 9 . 1 1 100 100 GLY C C 135 174.683 174.683 173.900 0.783 17579 5676 1 9 . 1 1 100 100 GLY CA C 135 45.985 45.985 45.539 0.446 17579 5677 1 9 . 1 1 100 100 GLY H H 135 8.235 8.235 7.486 0.749 17579 5678 1 9 . 1 1 101 101 LYS N N 136 120.306 120.306 122.753 -2.447 17579 5679 1 9 . 1 1 101 101 LYS HA H 136 4.279 4.279 4.337 -0.058 17579 5680 1 9 . 1 1 101 101 LYS C C 136 175.145 175.145 177.149 -2.004 17579 5681 1 9 . 1 1 101 101 LYS CA C 136 56.875 56.875 57.288 -0.413 17579 5682 1 9 . 1 1 101 101 LYS CB C 136 32.987 32.987 33.780 -0.793 17579 5683 1 9 . 1 1 101 101 LYS H H 136 8.148 8.148 8.426 -0.278 17579 5684 1 9 . 1 1 102 102 ASN N N 137 118.958 118.958 115.583 3.375 17579 5685 1 9 . 1 1 102 102 ASN HA H 137 4.707 4.707 4.900 -0.193 17579 5686 1 9 . 1 1 102 102 ASN C C 137 175.849 175.849 176.361 -0.512 17579 5687 1 9 . 1 1 102 102 ASN CA C 137 53.816 53.816 54.196 -0.380 17579 5688 1 9 . 1 1 102 102 ASN CB C 137 39.070 39.070 39.767 -0.697 17579 5689 1 9 . 1 1 102 102 ASN H H 137 8.406 8.406 8.577 -0.171 17579 5690 1 9 . 1 1 103 103 LYS N N 138 121.782 121.782 121.472 0.310 17579 5691 1 9 . 1 1 103 103 LYS HA H 138 4.255 4.255 4.181 0.074 17579 5692 1 9 . 1 1 103 103 LYS CA C 138 56.641 56.641 59.170 -2.529 17579 5693 1 9 . 1 1 103 103 LYS CB C 138 32.911 32.911 32.538 0.373 17579 5694 1 9 . 1 1 103 103 LYS H H 138 8.316 8.316 8.319 -0.003 17579 5695 1 9 . 1 1 104 104 GLU N N 139 121.053 121.053 118.657 2.396 17579 5696 1 9 . 1 1 104 104 GLU CA C 139 57.449 57.449 60.407 -2.958 17579 5697 1 9 . 1 1 104 104 GLU CB C 139 29.983 29.983 29.074 0.909 17579 5698 1 9 . 1 1 104 104 GLU H H 139 8.459 8.459 8.881 -0.422 17579 5699 1 9 . 1 1 106 106 GLU N N 141 122.191 122.191 119.365 2.826 17579 5700 1 9 . 1 1 106 106 GLU HA H 141 4.268 4.268 4.087 0.181 17579 5701 1 9 . 1 1 106 106 GLU CA C 141 64.025 64.025 58.964 5.061 17579 5702 1 9 . 1 1 106 106 GLU CB C 141 32.117 32.117 29.423 2.694 17579 5703 1 9 . 1 1 106 106 GLU H H 141 8.291 8.291 7.747 0.544 17579 5704 1 9 . 1 1 107 107 TYR N N 142 115.802 115.802 121.879 -6.077 17579 5705 1 9 . 1 1 107 107 TYR HA H 142 4.996 4.996 4.051 0.945 17579 5706 1 9 . 1 1 107 107 TYR C C 142 175.381 175.381 177.518 -2.137 17579 5707 1 9 . 1 1 107 107 TYR CA C 142 57.581 57.581 60.576 -2.995 17579 5708 1 9 . 1 1 107 107 TYR CB C 142 39.533 39.533 38.221 1.312 17579 5709 1 9 . 1 1 107 107 TYR H H 142 7.344 7.344 8.858 -1.514 17579 5710 1 9 . 1 1 108 108 LYS N N 143 123.473 123.473 118.833 4.640 17579 5711 1 9 . 1 1 108 108 LYS HA H 143 3.628 3.628 3.321 0.307 17579 5712 1 9 . 1 1 108 108 LYS C C 143 177.659 177.659 178.641 -0.982 17579 5713 1 9 . 1 1 108 108 LYS CA C 143 59.988 59.988 59.418 0.570 17579 5714 1 9 . 1 1 108 108 LYS CB C 143 32.294 32.294 32.030 0.264 17579 5715 1 9 . 1 1 108 108 LYS H H 143 7.376 7.376 7.997 -0.621 17579 5716 1 9 . 1 1 109 109 GLU N N 144 118.799 118.799 119.161 -0.362 17579 5717 1 9 . 1 1 109 109 GLU HA H 144 4.048 4.048 4.001 0.047 17579 5718 1 9 . 1 1 109 109 GLU C C 144 179.583 179.583 179.160 0.423 17579 5719 1 9 . 1 1 109 109 GLU CA C 144 60.200 60.200 59.562 0.638 17579 5720 1 9 . 1 1 109 109 GLU CB C 144 29.237 29.237 29.298 -0.061 17579 5721 1 9 . 1 1 109 109 GLU H H 144 8.558 8.558 8.024 0.534 17579 5722 1 9 . 1 1 110 110 SER N N 145 116.121 116.121 115.297 0.824 17579 5723 1 9 . 1 1 110 110 SER HA H 145 4.319 4.319 4.188 0.131 17579 5724 1 9 . 1 1 110 110 SER C C 145 176.522 176.522 176.701 -0.179 17579 5725 1 9 . 1 1 110 110 SER CA C 145 61.990 61.990 61.586 0.404 17579 5726 1 9 . 1 1 110 110 SER CB C 145 63.293 63.293 63.283 0.010 17579 5727 1 9 . 1 1 110 110 SER H H 145 8.094 8.094 8.140 -0.046 17579 5728 1 9 . 1 1 111 111 PHE N N 146 122.311 122.311 123.524 -1.213 17579 5729 1 9 . 1 1 111 111 PHE HA H 146 4.021 4.021 4.110 -0.089 17579 5730 1 9 . 1 1 111 111 PHE C C 146 176.001 176.001 176.665 -0.664 17579 5731 1 9 . 1 1 111 111 PHE CA C 146 62.504 62.504 61.703 0.801 17579 5732 1 9 . 1 1 111 111 PHE CB C 146 39.861 39.861 38.898 0.964 17579 5733 1 9 . 1 1 111 111 PHE H H 146 8.536 8.536 8.298 0.238 17579 5734 1 9 . 1 1 112 112 ASN N N 147 117.908 117.908 117.393 0.515 17579 5735 1 9 . 1 1 112 112 ASN HA H 147 4.252 4.252 4.191 0.061 17579 5736 1 9 . 1 1 112 112 ASN C C 147 178.315 178.315 177.361 0.954 17579 5737 1 9 . 1 1 112 112 ASN CA C 147 56.226 56.226 56.628 -0.402 17579 5738 1 9 . 1 1 112 112 ASN CB C 147 37.990 37.990 38.394 -0.404 17579 5739 1 9 . 1 1 112 112 ASN H H 147 8.795 8.795 8.803 -0.008 17579 5740 1 9 . 1 1 113 113 GLU N N 148 119.868 119.868 120.306 -0.438 17579 5741 1 9 . 1 1 113 113 GLU HA H 148 4.024 4.024 3.977 0.047 17579 5742 1 9 . 1 1 113 113 GLU C C 148 179.410 179.410 178.802 0.608 17579 5743 1 9 . 1 1 113 113 GLU CA C 148 59.710 59.710 59.605 0.105 17579 5744 1 9 . 1 1 113 113 GLU CB C 148 30.063 30.063 29.779 0.284 17579 5745 1 9 . 1 1 113 113 GLU H H 148 7.764 7.764 7.900 -0.136 17579 5746 1 9 . 1 1 114 114 VAL N N 149 119.684 119.684 116.827 2.857 17579 5747 1 9 . 1 1 114 114 VAL HA H 149 3.544 3.544 3.739 -0.195 17579 5748 1 9 . 1 1 114 114 VAL C C 149 177.613 177.613 177.974 -0.361 17579 5749 1 9 . 1 1 114 114 VAL CA C 149 66.977 66.977 66.185 0.792 17579 5750 1 9 . 1 1 114 114 VAL CB C 149 30.605 30.605 31.419 -0.814 17579 5751 1 9 . 1 1 114 114 VAL H H 149 7.973 7.973 7.944 0.029 17579 5752 1 9 . 1 1 115 115 VAL N N 150 119.782 119.782 121.177 -1.395 17579 5753 1 9 . 1 1 115 115 VAL HA H 150 3.164 3.164 3.492 -0.328 17579 5754 1 9 . 1 1 115 115 VAL C C 150 177.499 177.499 178.346 -0.847 17579 5755 1 9 . 1 1 115 115 VAL CA C 150 68.301 68.301 66.564 1.737 17579 5756 1 9 . 1 1 115 115 VAL CB C 150 31.483 31.483 30.621 0.862 17579 5757 1 9 . 1 1 115 115 VAL H H 150 8.452 8.452 8.411 0.041 17579 5758 1 9 . 1 1 116 116 LYS N N 151 118.842 118.842 120.250 -1.408 17579 5759 1 9 . 1 1 116 116 LYS HA H 151 4.024 4.024 4.161 -0.137 17579 5760 1 9 . 1 1 116 116 LYS C C 151 179.862 179.862 179.371 0.491 17579 5761 1 9 . 1 1 116 116 LYS CA C 151 59.947 59.947 58.923 1.024 17579 5762 1 9 . 1 1 116 116 LYS CB C 151 32.481 32.481 32.267 0.214 17579 5763 1 9 . 1 1 116 116 LYS H H 151 7.595 7.595 8.114 -0.519 17579 5764 1 9 . 1 1 117 117 GLU N N 152 120.243 120.243 119.430 0.813 17579 5765 1 9 . 1 1 117 117 GLU HA H 152 4.052 4.052 4.097 -0.045 17579 5766 1 9 . 1 1 117 117 GLU C C 152 179.528 179.528 179.109 0.419 17579 5767 1 9 . 1 1 117 117 GLU CA C 152 60.178 60.178 59.174 1.004 17579 5768 1 9 . 1 1 117 117 GLU CB C 152 29.949 29.949 29.560 0.389 17579 5769 1 9 . 1 1 117 117 GLU H H 152 7.513 7.513 8.003 -0.490 17579 5770 1 9 . 1 1 118 118 VAL N N 153 120.596 120.596 119.939 0.657 17579 5771 1 9 . 1 1 118 118 VAL HA H 153 3.464 3.464 3.801 -0.337 17579 5772 1 9 . 1 1 118 118 VAL C C 153 177.984 177.984 177.301 0.683 17579 5773 1 9 . 1 1 118 118 VAL CA C 153 68.047 68.047 64.942 3.105 17579 5774 1 9 . 1 1 118 118 VAL CB C 153 32.056 32.056 31.434 0.622 17579 5775 1 9 . 1 1 118 118 VAL H H 153 8.649 8.649 8.000 0.649 17579 5776 1 9 . 1 1 119 119 GLN N N 154 118.317 118.317 118.443 -0.126 17579 5777 1 9 . 1 1 119 119 GLN HA H 154 3.986 3.986 4.150 -0.164 17579 5778 1 9 . 1 1 119 119 GLN C C 154 178.984 178.984 177.058 1.926 17579 5779 1 9 . 1 1 119 119 GLN CA C 154 59.716 59.716 57.944 1.772 17579 5780 1 9 . 1 1 119 119 GLN CB C 154 28.261 28.261 29.225 -0.964 17579 5781 1 9 . 1 1 119 119 GLN H H 154 8.947 8.947 7.756 1.191 17579 5782 1 9 . 1 1 120 120 ALA N N 155 120.688 120.688 121.925 -1.237 17579 5783 1 9 . 1 1 120 120 ALA HA H 155 3.484 3.484 4.267 -0.783 17579 5784 1 9 . 1 1 120 120 ALA C C 155 180.759 180.759 177.036 3.723 17579 5785 1 9 . 1 1 120 120 ALA CA C 155 55.257 55.257 53.657 1.600 17579 5786 1 9 . 1 1 120 120 ALA CB C 155 18.446 18.446 19.877 -1.431 17579 5787 1 9 . 1 1 120 120 ALA H H 155 7.494 7.494 7.892 -0.398 17579 5788 1 10 . 1 1 2 2 LYS N N 37 124.936 124.936 123.366 1.570 17579 5789 1 10 . 1 1 2 2 LYS HA H 37 4.053 4.053 4.104 -0.051 17579 5790 1 10 . 1 1 2 2 LYS C C 37 172.929 172.929 178.221 -5.292 17579 5791 1 10 . 1 1 2 2 LYS CA C 37 60.975 60.975 58.721 2.254 17579 5792 1 10 . 1 1 2 2 LYS CB C 37 32.607 32.607 32.329 0.278 17579 5793 1 10 . 1 1 2 2 LYS H H 37 7.564 7.564 8.471 -0.907 17579 5794 1 10 . 1 1 3 3 LYS N N 38 118.300 118.300 118.171 0.129 17579 5795 1 10 . 1 1 3 3 LYS HA H 38 4.045 4.045 4.055 -0.010 17579 5796 1 10 . 1 1 3 3 LYS C C 38 179.361 179.361 178.025 1.336 17579 5797 1 10 . 1 1 3 3 LYS CA C 38 59.930 59.930 58.631 1.299 17579 5798 1 10 . 1 1 3 3 LYS CB C 38 32.885 32.885 31.678 1.207 17579 5799 1 10 . 1 1 3 3 LYS H H 38 8.234 8.234 8.219 0.015 17579 5800 1 10 . 1 1 4 4 LEU N N 39 122.081 122.081 121.519 0.562 17579 5801 1 10 . 1 1 4 4 LEU HA H 39 4.135 4.135 3.864 0.271 17579 5802 1 10 . 1 1 4 4 LEU C C 39 178.433 178.433 178.195 0.238 17579 5803 1 10 . 1 1 4 4 LEU CA C 39 57.726 57.726 58.422 -0.696 17579 5804 1 10 . 1 1 4 4 LEU CB C 39 40.588 40.588 41.609 -1.021 17579 5805 1 10 . 1 1 4 4 LEU H H 39 7.856 7.856 7.716 0.140 17579 5806 1 10 . 1 1 5 5 ASN N N 40 118.758 118.758 115.482 3.276 17579 5807 1 10 . 1 1 5 5 ASN HA H 40 3.994 3.994 4.292 -0.298 17579 5808 1 10 . 1 1 5 5 ASN C C 40 176.246 176.246 177.440 -1.194 17579 5809 1 10 . 1 1 5 5 ASN CA C 40 57.843 57.843 56.289 1.554 17579 5810 1 10 . 1 1 5 5 ASN CB C 40 40.430 40.430 38.141 2.289 17579 5811 1 10 . 1 1 5 5 ASN H H 40 9.241 9.241 8.020 1.221 17579 5812 1 10 . 1 1 6 6 LYS N N 41 115.665 115.665 119.955 -4.290 17579 5813 1 10 . 1 1 6 6 LYS HA H 41 3.929 3.929 3.960 -0.031 17579 5814 1 10 . 1 1 6 6 LYS C C 41 179.318 179.318 179.011 0.307 17579 5815 1 10 . 1 1 6 6 LYS CA C 41 60.130 60.130 59.475 0.655 17579 5816 1 10 . 1 1 6 6 LYS CB C 41 32.580 32.580 32.072 0.508 17579 5817 1 10 . 1 1 6 6 LYS H H 41 7.239 7.239 7.446 -0.207 17579 5818 1 10 . 1 1 7 7 LYS N N 42 119.038 119.038 119.697 -0.659 17579 5819 1 10 . 1 1 7 7 LYS HA H 42 4.037 4.037 4.067 -0.030 17579 5820 1 10 . 1 1 7 7 LYS C C 42 180.428 180.428 179.223 1.205 17579 5821 1 10 . 1 1 7 7 LYS CA C 42 60.178 60.178 59.601 0.577 17579 5822 1 10 . 1 1 7 7 LYS CB C 42 33.670 33.670 32.575 1.095 17579 5823 1 10 . 1 1 7 7 LYS H H 42 7.358 7.358 7.907 -0.549 17579 5824 1 10 . 1 1 8 8 VAL N N 43 122.489 122.489 119.541 2.948 17579 5825 1 10 . 1 1 8 8 VAL HA H 43 3.263 3.263 3.727 -0.464 17579 5826 1 10 . 1 1 8 8 VAL C C 43 177.823 177.823 178.017 -0.194 17579 5827 1 10 . 1 1 8 8 VAL CA C 43 67.836 67.836 67.183 0.653 17579 5828 1 10 . 1 1 8 8 VAL CB C 43 31.523 31.523 31.821 -0.298 17579 5829 1 10 . 1 1 8 8 VAL H H 43 9.167 9.167 8.129 1.038 17579 5830 1 10 . 1 1 9 9 LEU N N 44 119.740 119.740 118.060 1.680 17579 5831 1 10 . 1 1 9 9 LEU HA H 44 3.964 3.964 4.113 -0.149 17579 5832 1 10 . 1 1 9 9 LEU C C 44 179.700 179.700 178.816 0.884 17579 5833 1 10 . 1 1 9 9 LEU CA C 44 58.742 58.742 58.225 0.517 17579 5834 1 10 . 1 1 9 9 LEU CB C 44 41.239 41.239 41.087 0.152 17579 5835 1 10 . 1 1 9 9 LEU H H 44 8.437 8.437 8.352 0.085 17579 5836 1 10 . 1 1 10 10 LYS N N 45 119.832 119.832 119.352 0.480 17579 5837 1 10 . 1 1 10 10 LYS HA H 45 4.013 4.013 4.080 -0.067 17579 5838 1 10 . 1 1 10 10 LYS C C 45 178.847 178.847 179.169 -0.322 17579 5839 1 10 . 1 1 10 10 LYS CA C 45 60.146 60.146 59.184 0.962 17579 5840 1 10 . 1 1 10 10 LYS CB C 45 32.583 32.583 31.584 0.999 17579 5841 1 10 . 1 1 10 10 LYS H H 45 7.857 7.857 8.287 -0.430 17579 5842 1 10 . 1 1 11 11 THR N N 46 116.695 116.695 117.159 -0.464 17579 5843 1 10 . 1 1 11 11 THR HA H 46 4.327 4.327 4.115 0.212 17579 5844 1 10 . 1 1 11 11 THR C C 46 176.211 176.211 176.741 -0.530 17579 5845 1 10 . 1 1 11 11 THR CA C 46 68.237 68.237 66.501 1.736 17579 5846 1 10 . 1 1 11 11 THR CB C 46 68.312 68.312 68.545 -0.233 17579 5847 1 10 . 1 1 11 11 THR H H 46 7.796 7.796 8.155 -0.359 17579 5848 1 10 . 1 1 12 12 VAL N N 47 122.013 122.013 121.415 0.598 17579 5849 1 10 . 1 1 12 12 VAL HA H 47 3.235 3.235 3.615 -0.380 17579 5850 1 10 . 1 1 12 12 VAL C C 47 177.909 177.909 177.149 0.760 17579 5851 1 10 . 1 1 12 12 VAL CA C 47 67.838 67.838 65.846 1.992 17579 5852 1 10 . 1 1 12 12 VAL CB C 47 31.706 31.706 31.854 -0.148 17579 5853 1 10 . 1 1 12 12 VAL H H 47 8.762 8.762 8.163 0.599 17579 5854 1 10 . 1 1 13 13 LYS N N 48 118.035 118.035 119.854 -1.819 17579 5855 1 10 . 1 1 13 13 LYS HA H 48 3.828 3.828 3.999 -0.171 17579 5856 1 10 . 1 1 13 13 LYS CA C 48 59.960 59.960 59.428 0.531 17579 5857 1 10 . 1 1 13 13 LYS CB C 48 32.837 32.837 32.027 0.810 17579 5858 1 10 . 1 1 13 13 LYS H H 48 7.492 7.492 7.883 -0.391 17579 5859 1 10 . 1 1 14 14 LYS N N 49 120.565 120.565 117.893 2.672 17579 5860 1 10 . 1 1 14 14 LYS HA H 49 3.952 3.952 4.048 -0.096 17579 5861 1 10 . 1 1 14 14 LYS C C 49 179.608 179.608 179.403 0.205 17579 5862 1 10 . 1 1 14 14 LYS CA C 49 59.950 59.950 58.855 1.095 17579 5863 1 10 . 1 1 14 14 LYS CB C 49 33.723 33.723 32.303 1.420 17579 5864 1 10 . 1 1 14 14 LYS H H 49 7.498 7.498 7.991 -0.493 17579 5865 1 10 . 1 1 15 15 ALA N N 50 122.192 122.192 122.093 0.099 17579 5866 1 10 . 1 1 15 15 ALA HA H 50 3.467 3.467 3.716 -0.249 17579 5867 1 10 . 1 1 15 15 ALA C C 50 179.970 179.970 178.811 1.159 17579 5868 1 10 . 1 1 15 15 ALA CA C 50 54.950 54.950 54.580 0.370 17579 5869 1 10 . 1 1 15 15 ALA CB C 50 19.270 19.270 17.779 1.491 17579 5870 1 10 . 1 1 15 15 ALA H H 50 8.529 8.529 8.007 0.522 17579 5871 1 10 . 1 1 16 16 SER N N 51 116.624 116.624 114.569 2.055 17579 5872 1 10 . 1 1 16 16 SER HA H 51 4.696 4.696 4.094 0.602 17579 5873 1 10 . 1 1 16 16 SER C C 51 178.705 178.705 176.623 2.082 17579 5874 1 10 . 1 1 16 16 SER CA C 51 62.206 62.206 61.825 0.382 17579 5875 1 10 . 1 1 16 16 SER CB C 51 62.918 62.918 62.962 -0.044 17579 5876 1 10 . 1 1 16 16 SER H H 51 8.542 8.542 8.165 0.377 17579 5877 1 10 . 1 1 17 17 LYS N N 52 124.866 124.866 119.670 5.196 17579 5878 1 10 . 1 1 17 17 LYS HA H 52 4.051 4.051 4.222 -0.171 17579 5879 1 10 . 1 1 17 17 LYS C C 52 177.563 177.563 177.220 0.343 17579 5880 1 10 . 1 1 17 17 LYS CA C 52 59.290 59.290 57.712 1.578 17579 5881 1 10 . 1 1 17 17 LYS CB C 52 32.104 32.104 32.579 -0.475 17579 5882 1 10 . 1 1 17 17 LYS H H 52 7.553 7.553 7.397 0.156 17579 5883 1 10 . 1 1 18 18 ALA N N 53 118.801 118.801 120.311 -1.510 17579 5884 1 10 . 1 1 18 18 ALA HA H 53 4.280 4.280 4.305 -0.025 17579 5885 1 10 . 1 1 18 18 ALA C C 53 175.253 175.253 176.418 -1.165 17579 5886 1 10 . 1 1 18 18 ALA CA C 53 52.222 52.222 51.313 0.909 17579 5887 1 10 . 1 1 18 18 ALA CB C 53 19.566 19.566 18.597 0.969 17579 5888 1 10 . 1 1 18 18 ALA H H 53 7.092 7.092 7.181 -0.089 17579 5889 1 10 . 1 1 19 19 LYS N N 54 112.119 112.119 117.887 -5.768 17579 5890 1 10 . 1 1 19 19 LYS HA H 54 4.027 4.027 3.897 0.130 17579 5891 1 10 . 1 1 19 19 LYS C C 54 177.191 177.191 175.429 1.762 17579 5892 1 10 . 1 1 19 19 LYS CA C 54 57.435 57.435 57.274 0.161 17579 5893 1 10 . 1 1 19 19 LYS CB C 54 28.420 28.420 30.064 -1.644 17579 5894 1 10 . 1 1 19 19 LYS H H 54 7.644 7.644 7.614 0.030 17579 5895 1 10 . 1 1 20 20 ASN N N 55 116.236 116.236 114.282 1.954 17579 5896 1 10 . 1 1 20 20 ASN HA H 55 5.090 5.090 4.917 0.173 17579 5897 1 10 . 1 1 20 20 ASN C C 55 173.176 173.176 174.258 -1.082 17579 5898 1 10 . 1 1 20 20 ASN CA C 55 51.617 51.617 52.784 -1.167 17579 5899 1 10 . 1 1 20 20 ASN CB C 55 40.642 40.642 41.020 -0.378 17579 5900 1 10 . 1 1 20 20 ASN H H 55 8.099 8.099 7.976 0.123 17579 5901 1 10 . 1 1 21 21 VAL N N 56 115.268 115.268 115.916 -0.648 17579 5902 1 10 . 1 1 21 21 VAL HA H 56 4.864 4.864 4.457 0.407 17579 5903 1 10 . 1 1 21 21 VAL C C 56 175.526 175.526 174.684 0.842 17579 5904 1 10 . 1 1 21 21 VAL CA C 56 61.314 61.314 60.112 1.202 17579 5905 1 10 . 1 1 21 21 VAL CB C 56 35.532 35.532 33.919 1.613 17579 5906 1 10 . 1 1 21 21 VAL H H 56 7.621 7.621 7.529 0.092 17579 5907 1 10 . 1 1 22 22 LYS N N 57 126.903 126.903 127.860 -0.957 17579 5908 1 10 . 1 1 22 22 LYS HA H 57 4.682 4.682 4.719 -0.037 17579 5909 1 10 . 1 1 22 22 LYS C C 57 175.564 175.564 175.473 0.091 17579 5910 1 10 . 1 1 22 22 LYS CA C 57 54.694 54.694 54.952 -0.258 17579 5911 1 10 . 1 1 22 22 LYS CB C 57 33.975 33.975 33.938 0.037 17579 5912 1 10 . 1 1 22 22 LYS H H 57 9.006 9.006 8.572 0.434 17579 5913 1 10 . 1 1 23 23 ARG N N 58 122.053 122.053 123.388 -1.335 17579 5914 1 10 . 1 1 23 23 ARG HA H 58 4.850 4.850 4.448 0.402 17579 5915 1 10 . 1 1 23 23 ARG C C 58 176.136 176.136 176.488 -0.352 17579 5916 1 10 . 1 1 23 23 ARG CA C 58 56.100 56.100 55.316 0.783 17579 5917 1 10 . 1 1 23 23 ARG CB C 58 33.752 33.752 31.518 2.234 17579 5918 1 10 . 1 1 23 23 ARG H H 58 8.994 8.994 8.809 0.185 17579 5919 1 10 . 1 1 24 24 GLY N N 59 110.836 110.836 110.421 0.415 17579 5920 1 10 . 1 1 24 24 GLY C C 59 173.053 173.053 173.903 -0.850 17579 5921 1 10 . 1 1 24 24 GLY CA C 59 45.028 45.028 44.331 0.697 17579 5922 1 10 . 1 1 24 24 GLY H H 59 8.205 8.205 8.490 -0.285 17579 5923 1 10 . 1 1 25 25 VAL N N 60 119.573 119.573 121.649 -2.076 17579 5924 1 10 . 1 1 25 25 VAL HA H 60 4.117 4.117 3.848 0.269 17579 5925 1 10 . 1 1 25 25 VAL C C 60 176.366 176.366 177.175 -0.809 17579 5926 1 10 . 1 1 25 25 VAL CA C 60 67.542 67.542 65.294 2.248 17579 5927 1 10 . 1 1 25 25 VAL CB C 60 32.147 32.147 31.887 0.261 17579 5928 1 10 . 1 1 25 25 VAL H H 60 8.219 8.219 8.518 -0.299 17579 5929 1 10 . 1 1 26 26 LYS N N 61 117.987 117.987 119.886 -1.899 17579 5930 1 10 . 1 1 26 26 LYS HA H 61 3.896 3.896 4.167 -0.271 17579 5931 1 10 . 1 1 26 26 LYS C C 61 180.230 180.230 178.463 1.767 17579 5932 1 10 . 1 1 26 26 LYS CA C 61 60.492 60.492 58.912 1.580 17579 5933 1 10 . 1 1 26 26 LYS CB C 61 32.356 32.356 31.863 0.493 17579 5934 1 10 . 1 1 26 26 LYS H H 61 8.112 8.112 8.377 -0.265 17579 5935 1 10 . 1 1 27 27 GLU N N 62 117.610 117.610 118.919 -1.309 17579 5936 1 10 . 1 1 27 27 GLU HA H 62 3.937 3.937 4.166 -0.229 17579 5937 1 10 . 1 1 27 27 GLU C C 62 180.103 180.103 179.127 0.976 17579 5938 1 10 . 1 1 27 27 GLU CA C 62 59.119 59.119 59.328 -0.209 17579 5939 1 10 . 1 1 27 27 GLU CB C 62 30.052 30.052 29.099 0.954 17579 5940 1 10 . 1 1 27 27 GLU H H 62 8.493 8.493 8.262 0.231 17579 5941 1 10 . 1 1 28 28 VAL N N 63 120.585 120.585 118.430 2.155 17579 5942 1 10 . 1 1 28 28 VAL HA H 63 3.478 3.478 4.090 -0.612 17579 5943 1 10 . 1 1 28 28 VAL C C 63 176.970 176.970 178.180 -1.210 17579 5944 1 10 . 1 1 28 28 VAL CA C 63 68.197 68.197 65.463 2.733 17579 5945 1 10 . 1 1 28 28 VAL CB C 63 31.632 31.632 30.805 0.827 17579 5946 1 10 . 1 1 28 28 VAL H H 63 8.241 8.241 8.555 -0.314 17579 5947 1 10 . 1 1 29 29 VAL N N 64 118.622 118.622 120.707 -2.085 17579 5948 1 10 . 1 1 29 29 VAL HA H 64 3.333 3.333 3.734 -0.401 17579 5949 1 10 . 1 1 29 29 VAL C C 64 177.709 177.709 177.520 0.189 17579 5950 1 10 . 1 1 29 29 VAL CA C 64 67.751 67.751 66.538 1.213 17579 5951 1 10 . 1 1 29 29 VAL CB C 64 31.553 31.553 31.741 -0.188 17579 5952 1 10 . 1 1 29 29 VAL H H 64 8.510 8.510 7.948 0.562 17579 5953 1 10 . 1 1 30 30 LYS N N 65 118.138 118.138 119.792 -1.654 17579 5954 1 10 . 1 1 30 30 LYS HA H 65 3.855 3.855 4.018 -0.163 17579 5955 1 10 . 1 1 30 30 LYS C C 65 178.693 178.693 178.479 0.214 17579 5956 1 10 . 1 1 30 30 LYS CA C 65 59.986 59.986 59.630 0.356 17579 5957 1 10 . 1 1 30 30 LYS CB C 65 32.800 32.800 32.357 0.443 17579 5958 1 10 . 1 1 30 30 LYS H H 65 7.533 7.533 7.866 -0.333 17579 5959 1 10 . 1 1 31 31 ALA N N 66 120.585 120.585 121.587 -1.002 17579 5960 1 10 . 1 1 31 31 ALA HA H 66 4.049 4.049 4.042 0.007 17579 5961 1 10 . 1 1 31 31 ALA C C 66 179.745 179.745 179.474 0.271 17579 5962 1 10 . 1 1 31 31 ALA CA C 66 55.288 55.288 54.780 0.508 17579 5963 1 10 . 1 1 31 31 ALA CB C 66 19.207 19.207 18.363 0.844 17579 5964 1 10 . 1 1 31 31 ALA H H 66 7.489 7.489 7.973 -0.484 17579 5965 1 10 . 1 1 32 32 LEU N N 67 119.402 119.402 115.858 3.544 17579 5966 1 10 . 1 1 32 32 LEU HA H 67 3.976 3.976 4.070 -0.094 17579 5967 1 10 . 1 1 32 32 LEU C C 67 180.917 180.917 178.646 2.271 17579 5968 1 10 . 1 1 32 32 LEU CA C 67 58.115 58.115 57.189 0.926 17579 5969 1 10 . 1 1 32 32 LEU CB C 67 42.554 42.554 41.747 0.807 17579 5970 1 10 . 1 1 32 32 LEU H H 67 8.332 8.332 7.614 0.718 17579 5971 1 10 . 1 1 33 33 ARG N N 68 116.408 116.408 119.845 -3.437 17579 5972 1 10 . 1 1 33 33 ARG HA H 68 3.787 3.787 4.137 -0.350 17579 5973 1 10 . 1 1 33 33 ARG C C 68 178.472 178.472 178.064 0.408 17579 5974 1 10 . 1 1 33 33 ARG CA C 68 59.581 59.581 58.398 1.183 17579 5975 1 10 . 1 1 33 33 ARG CB C 68 29.946 29.946 30.377 -0.431 17579 5976 1 10 . 1 1 33 33 ARG H H 68 8.147 8.147 7.857 0.290 17579 5977 1 10 . 1 1 34 34 LYS N N 69 117.866 117.866 116.603 1.263 17579 5978 1 10 . 1 1 34 34 LYS HA H 69 4.232 4.232 4.195 0.037 17579 5979 1 10 . 1 1 34 34 LYS C C 69 177.005 177.005 177.191 -0.186 17579 5980 1 10 . 1 1 34 34 LYS CA C 69 56.788 56.788 56.749 0.039 17579 5981 1 10 . 1 1 34 34 LYS CB C 69 33.008 33.008 32.624 0.384 17579 5982 1 10 . 1 1 34 34 LYS H H 69 7.606 7.606 8.237 -0.631 17579 5983 1 10 . 1 1 35 35 GLY N N 70 106.799 106.799 104.374 2.425 17579 5984 1 10 . 1 1 35 35 GLY C C 70 175.547 175.547 174.232 1.315 17579 5985 1 10 . 1 1 35 35 GLY CA C 70 45.969 45.969 44.901 1.068 17579 5986 1 10 . 1 1 35 35 GLY H H 70 7.678 7.678 7.653 0.025 17579 5987 1 10 . 1 1 36 36 GLU N N 71 119.492 119.492 121.258 -1.766 17579 5988 1 10 . 1 1 36 36 GLU HA H 71 4.199 4.199 4.477 -0.278 17579 5989 1 10 . 1 1 36 36 GLU C C 71 175.625 175.625 175.016 0.609 17579 5990 1 10 . 1 1 36 36 GLU CA C 71 57.696 57.696 55.276 2.420 17579 5991 1 10 . 1 1 36 36 GLU CB C 71 29.620 29.620 28.024 1.595 17579 5992 1 10 . 1 1 36 36 GLU H H 71 7.686 7.686 8.244 -0.558 17579 5993 1 10 . 1 1 37 37 LYS N N 72 118.433 118.433 122.894 -4.461 17579 5994 1 10 . 1 1 37 37 LYS HA H 72 4.863 4.863 4.246 0.617 17579 5995 1 10 . 1 1 37 37 LYS C C 72 175.983 175.983 175.617 0.366 17579 5996 1 10 . 1 1 37 37 LYS CA C 72 54.299 54.299 53.519 0.780 17579 5997 1 10 . 1 1 37 37 LYS CB C 72 35.140 35.140 34.637 0.503 17579 5998 1 10 . 1 1 37 37 LYS H H 72 8.202 8.202 7.539 0.663 17579 5999 1 10 . 1 1 38 38 GLY N N 73 104.719 104.719 107.649 -2.930 17579 6000 1 10 . 1 1 38 38 GLY C C 73 172.071 172.071 173.304 -1.233 17579 6001 1 10 . 1 1 38 38 GLY CA C 73 46.798 46.798 45.913 0.885 17579 6002 1 10 . 1 1 38 38 GLY H H 73 7.214 7.214 8.792 -1.578 17579 6003 1 10 . 1 1 39 39 LEU N N 74 125.471 125.471 123.102 2.369 17579 6004 1 10 . 1 1 39 39 LEU HA H 74 4.992 4.992 5.004 -0.012 17579 6005 1 10 . 1 1 39 39 LEU C C 74 174.651 174.651 174.650 0.001 17579 6006 1 10 . 1 1 39 39 LEU CA C 74 54.686 54.686 54.932 -0.246 17579 6007 1 10 . 1 1 39 39 LEU CB C 74 47.360 47.360 46.127 1.233 17579 6008 1 10 . 1 1 39 39 LEU H H 74 8.930 8.930 8.259 0.671 17579 6009 1 10 . 1 1 40 40 VAL N N 75 130.975 130.975 127.139 3.836 17579 6010 1 10 . 1 1 40 40 VAL HA H 75 4.649 4.649 3.792 0.857 17579 6011 1 10 . 1 1 40 40 VAL C C 75 173.868 173.868 175.317 -1.449 17579 6012 1 10 . 1 1 40 40 VAL CA C 75 62.513 62.513 62.098 0.415 17579 6013 1 10 . 1 1 40 40 VAL CB C 75 32.856 32.856 30.845 2.011 17579 6014 1 10 . 1 1 40 40 VAL H H 75 8.549 8.549 8.914 -0.365 17579 6015 1 10 . 1 1 41 41 VAL N N 76 127.452 127.452 128.266 -0.814 17579 6016 1 10 . 1 1 41 41 VAL HA H 76 4.645 4.645 4.807 -0.162 17579 6017 1 10 . 1 1 41 41 VAL C C 76 173.931 173.931 175.404 -1.473 17579 6018 1 10 . 1 1 41 41 VAL CA C 76 61.015 61.015 61.626 -0.611 17579 6019 1 10 . 1 1 41 41 VAL CB C 76 33.844 33.844 31.549 2.295 17579 6020 1 10 . 1 1 41 41 VAL H H 76 8.754 8.754 8.971 -0.217 17579 6021 1 10 . 1 1 42 42 ILE N N 77 126.301 126.301 127.749 -1.448 17579 6022 1 10 . 1 1 42 42 ILE HA H 77 4.455 4.455 5.194 -0.739 17579 6023 1 10 . 1 1 42 42 ILE C C 77 174.965 174.965 174.788 0.177 17579 6024 1 10 . 1 1 42 42 ILE CA C 77 59.842 59.842 57.653 2.189 17579 6025 1 10 . 1 1 42 42 ILE CB C 77 40.257 40.257 41.404 -1.147 17579 6026 1 10 . 1 1 42 42 ILE H H 77 8.530 8.530 8.838 -0.308 17579 6027 1 10 . 1 1 43 43 ALA N N 78 128.716 128.716 126.746 1.970 17579 6028 1 10 . 1 1 43 43 ALA HA H 78 4.469 4.469 4.815 -0.346 17579 6029 1 10 . 1 1 43 43 ALA C C 78 177.979 177.979 178.858 -0.879 17579 6030 1 10 . 1 1 43 43 ALA CA C 78 52.398 52.398 50.717 1.681 17579 6031 1 10 . 1 1 43 43 ALA CB C 78 19.600 19.600 19.321 0.279 17579 6032 1 10 . 1 1 43 43 ALA H H 78 8.538 8.538 8.342 0.196 17579 6033 1 10 . 1 1 44 44 GLY N N 79 104.343 104.343 110.978 -6.635 17579 6034 1 10 . 1 1 44 44 GLY C C 79 173.472 173.472 174.598 -1.126 17579 6035 1 10 . 1 1 44 44 GLY CA C 79 46.239 46.239 46.649 -0.410 17579 6036 1 10 . 1 1 44 44 GLY H H 79 9.090 9.090 8.988 0.102 17579 6037 1 10 . 1 1 45 45 ASP N N 80 118.154 118.154 119.082 -0.928 17579 6038 1 10 . 1 1 45 45 ASP HA H 80 4.855 4.855 4.606 0.248 17579 6039 1 10 . 1 1 45 45 ASP C C 80 176.500 176.500 175.551 0.949 17579 6040 1 10 . 1 1 45 45 ASP CA C 80 52.804 52.804 54.251 -1.447 17579 6041 1 10 . 1 1 45 45 ASP CB C 80 39.410 39.410 41.616 -2.206 17579 6042 1 10 . 1 1 45 45 ASP H H 80 8.603 8.603 8.516 0.087 17579 6043 1 10 . 1 1 46 46 ILE N N 81 118.477 118.477 122.254 -3.777 17579 6044 1 10 . 1 1 46 46 ILE HA H 81 4.073 4.073 4.347 -0.274 17579 6045 1 10 . 1 1 46 46 ILE C C 81 173.822 173.822 173.548 0.274 17579 6046 1 10 . 1 1 46 46 ILE CA C 81 59.882 59.882 60.993 -1.111 17579 6047 1 10 . 1 1 46 46 ILE CB C 81 39.136 39.136 39.040 0.096 17579 6048 1 10 . 1 1 46 46 ILE H H 81 6.846 6.846 7.456 -0.610 17579 6049 1 10 . 1 1 47 47 SER N N 82 117.552 117.552 120.215 -2.663 17579 6050 1 10 . 1 1 47 47 SER HA H 82 4.628 4.628 4.682 -0.054 17579 6051 1 10 . 1 1 47 47 SER C C 82 176.920 176.920 172.502 4.418 17579 6052 1 10 . 1 1 47 47 SER CA C 82 55.444 55.444 56.363 -0.919 17579 6053 1 10 . 1 1 47 47 SER CB C 82 65.268 65.268 65.171 0.096 17579 6054 1 10 . 1 1 47 47 SER H H 82 7.774 7.774 8.033 -0.259 17579 6055 1 10 . 1 1 48 48 PRO HA H 83 4.259 4.259 4.570 -0.311 17579 6056 1 10 . 1 1 48 48 PRO CA C 83 62.312 62.312 62.512 -0.200 17579 6057 1 10 . 1 1 48 48 PRO CB C 83 30.564 30.564 32.164 -1.600 17579 6058 1 10 . 1 1 49 49 ALA N N 84 122.207 122.207 120.000 2.207 17579 6059 1 10 . 1 1 49 49 ALA HA H 84 3.978 3.978 4.241 -0.263 17579 6060 1 10 . 1 1 49 49 ALA C C 84 178.699 178.699 178.824 -0.125 17579 6061 1 10 . 1 1 49 49 ALA CA C 84 54.704 54.704 53.953 0.751 17579 6062 1 10 . 1 1 49 49 ALA CB C 84 19.393 19.393 18.957 0.436 17579 6063 1 10 . 1 1 49 49 ALA H H 84 8.091 8.091 8.370 -0.279 17579 6064 1 10 . 1 1 50 50 ASP N N 85 113.440 113.440 119.131 -5.691 17579 6065 1 10 . 1 1 50 50 ASP HA H 85 4.338 4.338 4.375 -0.037 17579 6066 1 10 . 1 1 50 50 ASP C C 85 177.723 177.723 178.107 -0.384 17579 6067 1 10 . 1 1 50 50 ASP CA C 85 56.203 56.203 57.340 -1.137 17579 6068 1 10 . 1 1 50 50 ASP CB C 85 40.562 40.562 40.144 0.418 17579 6069 1 10 . 1 1 50 50 ASP H H 85 8.148 8.148 8.511 -0.363 17579 6070 1 10 . 1 1 51 51 VAL N N 86 116.604 116.604 119.166 -2.562 17579 6071 1 10 . 1 1 51 51 VAL HA H 86 3.925 3.925 3.670 0.255 17579 6072 1 10 . 1 1 51 51 VAL C C 86 176.966 176.966 177.619 -0.653 17579 6073 1 10 . 1 1 51 51 VAL CA C 86 65.241 65.241 66.749 -1.508 17579 6074 1 10 . 1 1 51 51 VAL CB C 86 32.467 32.467 31.347 1.120 17579 6075 1 10 . 1 1 51 51 VAL H H 86 7.538 7.538 8.159 -0.621 17579 6076 1 10 . 1 1 52 52 ILE N N 87 108.211 108.211 118.476 -10.265 17579 6077 1 10 . 1 1 52 52 ILE HA H 87 4.565 4.565 3.792 0.773 17579 6078 1 10 . 1 1 52 52 ILE C C 87 178.116 178.116 176.670 1.446 17579 6079 1 10 . 1 1 52 52 ILE CA C 87 60.165 60.165 63.870 -3.705 17579 6080 1 10 . 1 1 52 52 ILE CB C 87 41.048 41.048 37.388 3.660 17579 6081 1 10 . 1 1 52 52 ILE H H 87 7.283 7.283 7.939 -0.656 17579 6082 1 10 . 1 1 53 53 SER N N 88 116.088 116.088 115.752 0.336 17579 6083 1 10 . 1 1 53 53 SER HA H 88 4.538 4.538 4.444 0.094 17579 6084 1 10 . 1 1 53 53 SER CA C 88 61.852 61.852 61.295 0.557 17579 6085 1 10 . 1 1 53 53 SER CB C 88 62.604 62.604 63.552 -0.948 17579 6086 1 10 . 1 1 53 53 SER H H 88 7.845 7.845 7.840 0.005 17579 6087 1 10 . 1 1 54 54 HIS N N 89 121.004 121.004 122.122 -1.118 17579 6088 1 10 . 1 1 54 54 HIS HA H 89 4.590 4.590 4.430 0.160 17579 6089 1 10 . 1 1 54 54 HIS C C 89 176.530 176.530 177.314 -0.784 17579 6090 1 10 . 1 1 54 54 HIS CA C 89 56.554 56.554 59.581 -3.027 17579 6091 1 10 . 1 1 54 54 HIS CB C 89 33.261 33.261 30.215 3.046 17579 6092 1 10 . 1 1 54 54 HIS H H 89 8.450 8.450 8.168 0.282 17579 6093 1 10 . 1 1 55 55 ILE N N 90 123.909 123.909 121.352 2.557 17579 6094 1 10 . 1 1 55 55 ILE HA H 90 4.583 4.583 3.674 0.909 17579 6095 1 10 . 1 1 55 55 ILE CA C 90 62.230 62.230 66.729 -4.499 17579 6096 1 10 . 1 1 55 55 ILE CB C 90 42.418 42.418 34.942 7.476 17579 6097 1 10 . 1 1 55 55 ILE H H 90 8.142 8.142 8.704 -0.562 17579 6098 1 10 . 1 1 56 56 PRO HA H 91 2.974 2.974 4.325 -1.351 17579 6099 1 10 . 1 1 56 56 PRO C C 91 177.132 177.132 179.069 -1.937 17579 6100 1 10 . 1 1 56 56 PRO CA C 91 66.917 66.917 65.598 1.319 17579 6101 1 10 . 1 1 56 56 PRO CB C 91 31.519 31.519 31.142 0.376 17579 6102 1 10 . 1 1 57 57 VAL N N 92 114.761 114.761 119.342 -4.581 17579 6103 1 10 . 1 1 57 57 VAL HA H 92 3.570 3.570 3.702 -0.132 17579 6104 1 10 . 1 1 57 57 VAL C C 92 177.995 177.995 178.091 -0.096 17579 6105 1 10 . 1 1 57 57 VAL CA C 92 66.358 66.358 66.412 -0.054 17579 6106 1 10 . 1 1 57 57 VAL CB C 92 31.694 31.694 31.268 0.426 17579 6107 1 10 . 1 1 57 57 VAL H H 92 6.505 6.505 7.151 -0.646 17579 6108 1 10 . 1 1 58 58 LEU N N 93 120.572 120.572 118.590 1.982 17579 6109 1 10 . 1 1 58 58 LEU HA H 93 4.200 4.200 4.188 0.012 17579 6110 1 10 . 1 1 58 58 LEU C C 93 180.452 180.452 178.752 1.700 17579 6111 1 10 . 1 1 58 58 LEU CA C 93 57.938 57.938 58.163 -0.225 17579 6112 1 10 . 1 1 58 58 LEU CB C 93 43.394 43.394 41.295 2.099 17579 6113 1 10 . 1 1 58 58 LEU H H 93 7.432 7.432 8.466 -1.034 17579 6114 1 10 . 1 1 59 59 CYS N N 94 117.330 117.330 118.697 -1.367 17579 6115 1 10 . 1 1 59 59 CYS HA H 94 3.827 3.827 4.149 -0.322 17579 6116 1 10 . 1 1 59 59 CYS C C 94 177.986 177.986 176.194 1.792 17579 6117 1 10 . 1 1 59 59 CYS CA C 94 65.483 65.483 63.861 1.622 17579 6118 1 10 . 1 1 59 59 CYS CB C 94 26.552 26.552 27.881 -1.329 17579 6119 1 10 . 1 1 59 59 CYS H H 94 8.423 8.423 8.141 0.282 17579 6120 1 10 . 1 1 60 60 GLU N N 95 120.766 120.766 119.424 1.342 17579 6121 1 10 . 1 1 60 60 GLU HA H 95 3.512 3.512 4.109 -0.597 17579 6122 1 10 . 1 1 60 60 GLU C C 95 180.736 180.736 177.344 3.392 17579 6123 1 10 . 1 1 60 60 GLU CA C 95 59.909 59.909 58.586 1.323 17579 6124 1 10 . 1 1 60 60 GLU CB C 95 29.108 29.108 29.496 -0.388 17579 6125 1 10 . 1 1 60 60 GLU H H 95 8.237 8.237 7.962 0.275 17579 6126 1 10 . 1 1 61 61 ASP N N 96 120.591 120.591 118.606 1.985 17579 6127 1 10 . 1 1 61 61 ASP HA H 96 4.311 4.311 4.478 -0.167 17579 6128 1 10 . 1 1 61 61 ASP C C 96 178.004 178.004 177.349 0.655 17579 6129 1 10 . 1 1 61 61 ASP CA C 96 57.549 57.549 55.959 1.590 17579 6130 1 10 . 1 1 61 61 ASP CB C 96 41.083 41.083 41.256 -0.173 17579 6131 1 10 . 1 1 61 61 ASP H H 96 8.345 8.345 7.838 0.507 17579 6132 1 10 . 1 1 62 62 HIS N N 97 115.844 115.844 115.275 0.569 17579 6133 1 10 . 1 1 62 62 HIS HA H 97 4.575 4.575 4.768 -0.193 17579 6134 1 10 . 1 1 62 62 HIS C C 97 173.728 173.728 174.160 -0.432 17579 6135 1 10 . 1 1 62 62 HIS CA C 97 57.418 57.418 55.922 1.496 17579 6136 1 10 . 1 1 62 62 HIS CB C 97 30.067 30.067 32.961 -2.894 17579 6137 1 10 . 1 1 62 62 HIS H H 97 7.663 7.663 7.768 -0.105 17579 6138 1 10 . 1 1 63 63 SER N N 98 114.813 114.813 115.422 -0.609 17579 6139 1 10 . 1 1 63 63 SER HA H 98 4.097 4.097 4.209 -0.112 17579 6140 1 10 . 1 1 63 63 SER C C 98 173.789 173.789 173.038 0.751 17579 6141 1 10 . 1 1 63 63 SER CA C 98 59.255 59.255 59.054 0.201 17579 6142 1 10 . 1 1 63 63 SER CB C 98 61.602 61.602 62.259 -0.657 17579 6143 1 10 . 1 1 63 63 SER H H 98 7.861 7.861 8.221 -0.360 17579 6144 1 10 . 1 1 64 64 VAL N N 99 123.227 123.227 122.026 1.201 17579 6145 1 10 . 1 1 64 64 VAL HA H 99 4.157 4.157 4.565 -0.408 17579 6146 1 10 . 1 1 64 64 VAL C C 99 174.345 174.345 174.736 -0.391 17579 6147 1 10 . 1 1 64 64 VAL CA C 99 58.923 58.923 59.021 -0.098 17579 6148 1 10 . 1 1 64 64 VAL CB C 99 35.133 35.133 34.641 0.492 17579 6149 1 10 . 1 1 64 64 VAL H H 99 8.603 8.603 8.329 0.274 17579 6150 1 10 . 1 1 65 65 PRO HA H 100 4.260 4.260 4.486 -0.226 17579 6151 1 10 . 1 1 65 65 PRO C C 100 173.335 173.335 175.134 -1.799 17579 6152 1 10 . 1 1 65 65 PRO CA C 100 63.165 63.165 63.049 0.116 17579 6153 1 10 . 1 1 65 65 PRO CB C 100 32.083 32.083 29.717 2.366 17579 6154 1 10 . 1 1 66 66 TYR N N 101 114.840 114.840 124.551 -9.711 17579 6155 1 10 . 1 1 66 66 TYR HA H 101 5.900 5.900 4.773 1.127 17579 6156 1 10 . 1 1 66 66 TYR C C 101 170.503 170.503 173.515 -3.012 17579 6157 1 10 . 1 1 66 66 TYR CA C 101 53.986 53.986 56.077 -2.091 17579 6158 1 10 . 1 1 66 66 TYR CB C 101 41.998 41.998 40.777 1.221 17579 6159 1 10 . 1 1 66 66 TYR H H 101 6.219 6.219 7.968 -1.749 17579 6160 1 10 . 1 1 67 67 ILE N N 102 112.118 112.118 126.857 -14.739 17579 6161 1 10 . 1 1 67 67 ILE HA H 102 4.488 4.488 4.030 0.458 17579 6162 1 10 . 1 1 67 67 ILE C C 102 171.963 171.963 173.229 -1.266 17579 6163 1 10 . 1 1 67 67 ILE CA C 102 55.343 55.343 58.595 -3.252 17579 6164 1 10 . 1 1 67 67 ILE CB C 102 43.317 43.317 41.902 1.415 17579 6165 1 10 . 1 1 67 67 ILE H H 102 7.954 7.954 8.742 -0.788 17579 6166 1 10 . 1 1 68 68 PHE N N 103 122.272 122.272 123.406 -1.134 17579 6167 1 10 . 1 1 68 68 PHE HA H 103 5.945 5.945 5.367 0.578 17579 6168 1 10 . 1 1 68 68 PHE C C 103 176.374 176.374 174.356 2.018 17579 6169 1 10 . 1 1 68 68 PHE CA C 103 56.520 56.520 55.256 1.264 17579 6170 1 10 . 1 1 68 68 PHE CB C 103 40.518 40.518 41.261 -0.743 17579 6171 1 10 . 1 1 68 68 PHE H H 103 8.087 8.087 7.475 0.612 17579 6172 1 10 . 1 1 69 69 ILE N N 104 114.672 114.672 116.728 -2.056 17579 6173 1 10 . 1 1 69 69 ILE HA H 104 2.991 2.991 4.648 -1.657 17579 6174 1 10 . 1 1 69 69 ILE C C 104 175.387 175.387 174.208 1.179 17579 6175 1 10 . 1 1 69 69 ILE CA C 104 57.903 57.903 58.275 -0.372 17579 6176 1 10 . 1 1 69 69 ILE CB C 104 38.207 38.207 39.931 -1.724 17579 6177 1 10 . 1 1 69 69 ILE H H 104 8.847 8.847 9.060 -0.213 17579 6178 1 10 . 1 1 70 70 PRO HA H 105 3.918 3.918 4.630 -0.712 17579 6179 1 10 . 1 1 70 70 PRO C C 105 177.442 177.442 176.107 1.335 17579 6180 1 10 . 1 1 70 70 PRO CA C 105 64.823 64.823 63.098 1.725 17579 6181 1 10 . 1 1 70 70 PRO CB C 105 35.906 35.906 30.203 5.703 17579 6182 1 10 . 1 1 71 71 SER N N 106 113.113 113.113 117.421 -4.308 17579 6183 1 10 . 1 1 71 71 SER HA H 106 4.261 4.261 4.706 -0.445 17579 6184 1 10 . 1 1 71 71 SER C C 106 175.111 175.111 174.597 0.514 17579 6185 1 10 . 1 1 71 71 SER CA C 106 60.111 60.111 57.483 2.627 17579 6186 1 10 . 1 1 71 71 SER CB C 106 63.687 63.687 65.377 -1.690 17579 6187 1 10 . 1 1 71 71 SER H H 106 7.904 7.904 8.037 -0.133 17579 6188 1 10 . 1 1 72 72 LYS N N 107 119.830 119.830 126.467 -6.637 17579 6189 1 10 . 1 1 72 72 LYS HA H 107 4.187 4.187 3.925 0.262 17579 6190 1 10 . 1 1 72 72 LYS CA C 107 58.783 58.783 59.364 -0.581 17579 6191 1 10 . 1 1 72 72 LYS CB C 107 30.951 30.951 32.207 -1.256 17579 6192 1 10 . 1 1 72 72 LYS H H 107 8.314 8.314 8.773 -0.459 17579 6193 1 10 . 1 1 73 73 GLN N N 108 123.860 123.860 118.091 5.769 17579 6194 1 10 . 1 1 73 73 GLN HA H 108 4.001 4.001 4.056 -0.055 17579 6195 1 10 . 1 1 73 73 GLN CA C 108 58.831 58.831 58.781 0.050 17579 6196 1 10 . 1 1 73 73 GLN CB C 108 28.451 28.451 27.705 0.746 17579 6197 1 10 . 1 1 73 73 GLN H H 108 8.510 8.510 8.690 -0.180 17579 6198 1 10 . 1 1 74 74 ASP N N 109 121.145 121.145 120.902 0.243 17579 6199 1 10 . 1 1 74 74 ASP HA H 109 4.389 4.389 4.524 -0.135 17579 6200 1 10 . 1 1 74 74 ASP C C 109 178.552 178.552 178.410 0.142 17579 6201 1 10 . 1 1 74 74 ASP H H 109 7.966 7.966 7.504 0.462 17579 6202 1 10 . 1 1 75 75 LEU N N 110 121.098 121.098 120.180 0.918 17579 6203 1 10 . 1 1 75 75 LEU HA H 110 3.955 3.955 3.908 0.047 17579 6204 1 10 . 1 1 75 75 LEU C C 110 178.953 178.953 179.653 -0.700 17579 6205 1 10 . 1 1 75 75 LEU CA C 110 56.538 56.538 57.814 -1.276 17579 6206 1 10 . 1 1 75 75 LEU CB C 110 40.845 40.845 41.662 -0.817 17579 6207 1 10 . 1 1 75 75 LEU H H 110 7.932 7.932 8.256 -0.324 17579 6208 1 10 . 1 1 76 76 GLY N N 111 105.659 105.659 105.820 -0.161 17579 6209 1 10 . 1 1 76 76 GLY C C 111 175.510 175.510 175.789 -0.279 17579 6210 1 10 . 1 1 76 76 GLY CA C 111 47.037 47.037 46.104 0.933 17579 6211 1 10 . 1 1 76 76 GLY H H 111 8.006 8.006 8.339 -0.333 17579 6212 1 10 . 1 1 77 77 ALA N N 112 122.987 122.987 124.554 -1.567 17579 6213 1 10 . 1 1 77 77 ALA HA H 112 4.112 4.112 4.103 0.009 17579 6214 1 10 . 1 1 77 77 ALA C C 112 179.350 179.350 178.408 0.942 17579 6215 1 10 . 1 1 77 77 ALA CA C 112 53.930 53.930 54.660 -0.730 17579 6216 1 10 . 1 1 77 77 ALA CB C 112 18.727 18.727 18.463 0.264 17579 6217 1 10 . 1 1 77 77 ALA H H 112 7.824 7.824 7.876 -0.052 17579 6218 1 10 . 1 1 78 78 ALA N N 113 121.466 121.466 118.632 2.834 17579 6219 1 10 . 1 1 78 78 ALA HA H 113 4.189 4.189 4.378 -0.189 17579 6220 1 10 . 1 1 78 78 ALA C C 113 177.368 177.368 179.240 -1.872 17579 6221 1 10 . 1 1 78 78 ALA CA C 113 53.750 53.750 53.014 0.736 17579 6222 1 10 . 1 1 78 78 ALA CB C 113 19.231 19.231 19.653 -0.422 17579 6223 1 10 . 1 1 78 78 ALA H H 113 7.785 7.785 7.906 -0.121 17579 6224 1 10 . 1 1 79 79 GLY N N 114 104.016 104.016 107.657 -3.641 17579 6225 1 10 . 1 1 79 79 GLY CA C 114 45.256 45.256 45.642 -0.385 17579 6226 1 10 . 1 1 79 79 GLY H H 114 7.742 7.742 8.097 -0.355 17579 6227 1 10 . 1 1 80 80 ALA HA H 115 4.100 4.100 4.484 -0.384 17579 6228 1 10 . 1 1 80 80 ALA C C 115 176.526 176.526 177.266 -0.740 17579 6229 1 10 . 1 1 80 80 ALA CA C 115 53.482 53.482 51.777 1.705 17579 6230 1 10 . 1 1 80 80 ALA CB C 115 19.825 19.825 20.272 -0.447 17579 6231 1 10 . 1 1 81 81 THR N N 116 116.236 116.236 117.747 -1.511 17579 6232 1 10 . 1 1 81 81 THR HA H 116 4.718 4.718 4.050 0.668 17579 6233 1 10 . 1 1 81 81 THR CA C 116 57.275 57.275 64.528 -7.252 17579 6234 1 10 . 1 1 81 81 THR CB C 116 64.878 64.878 68.748 -3.869 17579 6235 1 10 . 1 1 81 81 THR H H 116 8.068 8.068 8.561 -0.493 17579 6236 1 10 . 1 1 84 84 PRO HA H 119 4.072 4.072 4.532 -0.460 17579 6237 1 10 . 1 1 84 84 PRO CB C 119 32.154 32.154 32.212 -0.058 17579 6238 1 10 . 1 1 85 85 THR N N 120 119.680 119.680 115.306 4.374 17579 6239 1 10 . 1 1 85 85 THR C C 120 175.333 175.333 174.521 0.812 17579 6240 1 10 . 1 1 85 85 THR CB C 120 71.769 71.769 71.471 0.298 17579 6241 1 10 . 1 1 85 85 THR H H 120 8.002 8.002 7.933 0.069 17579 6242 1 10 . 1 1 86 86 SER N N 121 115.589 115.589 113.497 2.092 17579 6243 1 10 . 1 1 86 86 SER HA H 121 4.325 4.325 4.546 -0.221 17579 6244 1 10 . 1 1 86 86 SER C C 121 172.929 172.929 173.412 -0.483 17579 6245 1 10 . 1 1 86 86 SER CA C 121 59.722 59.722 58.588 1.134 17579 6246 1 10 . 1 1 86 86 SER CB C 121 64.608 64.608 64.232 0.376 17579 6247 1 10 . 1 1 86 86 SER H H 121 7.335 7.335 8.437 -1.102 17579 6248 1 10 . 1 1 87 87 VAL N N 122 116.044 116.044 118.747 -2.703 17579 6249 1 10 . 1 1 87 87 VAL HA H 122 5.200 5.200 4.858 0.342 17579 6250 1 10 . 1 1 87 87 VAL C C 122 172.465 172.465 173.775 -1.310 17579 6251 1 10 . 1 1 87 87 VAL CA C 122 59.819 59.819 60.331 -0.513 17579 6252 1 10 . 1 1 87 87 VAL CB C 122 33.368 33.368 33.141 0.227 17579 6253 1 10 . 1 1 87 87 VAL H H 122 7.152 7.152 7.508 -0.356 17579 6254 1 10 . 1 1 88 88 VAL N N 123 119.350 119.350 124.952 -5.602 17579 6255 1 10 . 1 1 88 88 VAL HA H 123 5.091 5.091 4.858 0.233 17579 6256 1 10 . 1 1 88 88 VAL C C 123 173.214 173.214 172.893 0.321 17579 6257 1 10 . 1 1 88 88 VAL CA C 123 59.219 59.219 60.055 -0.836 17579 6258 1 10 . 1 1 88 88 VAL CB C 123 36.362 36.362 35.511 0.851 17579 6259 1 10 . 1 1 88 88 VAL H H 123 8.851 8.851 8.640 0.211 17579 6260 1 10 . 1 1 89 89 PHE N N 124 122.568 122.568 129.111 -6.543 17579 6261 1 10 . 1 1 89 89 PHE HA H 124 5.613 5.613 5.373 0.240 17579 6262 1 10 . 1 1 89 89 PHE C C 124 174.887 174.887 175.177 -0.290 17579 6263 1 10 . 1 1 89 89 PHE CA C 124 52.961 52.961 54.912 -1.951 17579 6264 1 10 . 1 1 89 89 PHE CB C 124 42.788 42.788 40.800 1.988 17579 6265 1 10 . 1 1 89 89 PHE H H 124 9.051 9.051 9.234 -0.183 17579 6266 1 10 . 1 1 90 90 ILE N N 125 127.707 127.707 128.189 -0.482 17579 6267 1 10 . 1 1 90 90 ILE HA H 125 4.264 4.264 4.207 0.057 17579 6268 1 10 . 1 1 90 90 ILE C C 125 173.870 173.870 175.692 -1.822 17579 6269 1 10 . 1 1 90 90 ILE CA C 125 61.789 61.789 60.184 1.605 17579 6270 1 10 . 1 1 90 90 ILE CB C 125 39.785 39.785 37.918 1.867 17579 6271 1 10 . 1 1 90 90 ILE H H 125 9.477 9.477 9.462 0.015 17579 6272 1 10 . 1 1 91 91 VAL N N 126 126.579 126.579 121.447 5.132 17579 6273 1 10 . 1 1 91 91 VAL HA H 126 4.566 4.566 4.799 -0.233 17579 6274 1 10 . 1 1 91 91 VAL C C 126 173.829 173.829 173.467 0.362 17579 6275 1 10 . 1 1 91 91 VAL CA C 126 58.701 58.701 58.970 -0.269 17579 6276 1 10 . 1 1 91 91 VAL CB C 126 32.989 32.989 33.301 -0.312 17579 6277 1 10 . 1 1 91 91 VAL H H 126 8.149 8.149 8.963 -0.814 17579 6278 1 10 . 1 1 92 92 PRO HA H 127 4.035 4.035 4.703 -0.668 17579 6279 1 10 . 1 1 92 92 PRO C C 127 177.766 177.766 177.662 0.104 17579 6280 1 10 . 1 1 92 92 PRO CA C 127 63.684 63.684 62.507 1.177 17579 6281 1 10 . 1 1 92 92 PRO CB C 127 32.178 32.178 32.630 -0.452 17579 6282 1 10 . 1 1 93 93 GLY N N 128 108.618 108.618 109.394 -0.776 17579 6283 1 10 . 1 1 93 93 GLY CA C 128 45.787 45.787 45.204 0.583 17579 6284 1 10 . 1 1 93 93 GLY H H 128 7.970 7.970 8.385 -0.415 17579 6285 1 10 . 1 1 94 94 SER N N 129 113.620 113.620 117.134 -3.514 17579 6286 1 10 . 1 1 94 94 SER HA H 129 4.317 4.317 4.432 -0.115 17579 6287 1 10 . 1 1 94 94 SER C C 129 180.379 180.379 176.017 4.362 17579 6288 1 10 . 1 1 94 94 SER CA C 129 58.566 58.566 60.713 -2.147 17579 6289 1 10 . 1 1 94 94 SER H H 129 7.952 7.952 8.394 -0.442 17579 6290 1 10 . 1 1 95 95 ASN N N 130 120.775 120.775 119.552 1.223 17579 6291 1 10 . 1 1 95 95 ASN HA H 130 3.964 3.964 4.578 -0.614 17579 6292 1 10 . 1 1 95 95 ASN C C 130 178.664 178.664 176.659 2.005 17579 6293 1 10 . 1 1 95 95 ASN CA C 130 57.689 57.689 55.316 2.373 17579 6294 1 10 . 1 1 95 95 ASN CB C 130 42.288 42.288 38.175 4.113 17579 6295 1 10 . 1 1 95 95 ASN H H 130 8.300 8.300 8.407 -0.107 17579 6296 1 10 . 1 1 96 96 LYS N N 131 119.316 119.316 119.519 -0.203 17579 6297 1 10 . 1 1 96 96 LYS HA H 131 4.095 4.095 4.215 -0.120 17579 6298 1 10 . 1 1 96 96 LYS C C 131 178.290 178.290 178.708 -0.418 17579 6299 1 10 . 1 1 96 96 LYS CA C 131 59.062 59.062 57.556 1.506 17579 6300 1 10 . 1 1 96 96 LYS CB C 131 29.745 29.745 32.369 -2.624 17579 6301 1 10 . 1 1 96 96 LYS H H 131 7.896 7.896 8.465 -0.569 17579 6302 1 10 . 1 1 97 97 LYS N N 132 117.523 117.523 121.520 -3.997 17579 6303 1 10 . 1 1 97 97 LYS C C 132 176.927 176.927 178.348 -1.421 17579 6304 1 10 . 1 1 97 97 LYS CA C 132 58.555 58.555 59.999 -1.444 17579 6305 1 10 . 1 1 97 97 LYS CB C 132 30.578 30.578 32.446 -1.868 17579 6306 1 10 . 1 1 97 97 LYS H H 132 7.791 7.791 8.120 -0.329 17579 6307 1 10 . 1 1 98 98 LYS HA H 133 4.236 4.236 4.348 -0.112 17579 6308 1 10 . 1 1 98 98 LYS C C 133 176.606 176.606 176.229 0.377 17579 6309 1 10 . 1 1 98 98 LYS CA C 133 57.225 57.225 57.183 0.042 17579 6310 1 10 . 1 1 98 98 LYS CB C 133 33.151 33.151 31.874 1.277 17579 6311 1 10 . 1 1 99 99 ASP N N 134 120.311 120.311 119.072 1.239 17579 6312 1 10 . 1 1 99 99 ASP HA H 134 4.584 4.584 4.766 -0.182 17579 6313 1 10 . 1 1 99 99 ASP C C 134 176.899 176.899 176.288 0.611 17579 6314 1 10 . 1 1 99 99 ASP CA C 134 54.402 54.402 53.226 1.176 17579 6315 1 10 . 1 1 99 99 ASP CB C 134 41.568 41.568 41.370 0.198 17579 6316 1 10 . 1 1 99 99 ASP H H 134 8.267 8.267 7.555 0.712 17579 6317 1 10 . 1 1 100 100 GLY N N 135 108.751 108.751 108.318 0.433 17579 6318 1 10 . 1 1 100 100 GLY C C 135 174.683 174.683 174.471 0.212 17579 6319 1 10 . 1 1 100 100 GLY CA C 135 45.985 45.985 45.551 0.434 17579 6320 1 10 . 1 1 100 100 GLY H H 135 8.235 8.235 7.549 0.686 17579 6321 1 10 . 1 1 101 101 LYS N N 136 120.306 120.306 120.928 -0.622 17579 6322 1 10 . 1 1 101 101 LYS HA H 136 4.279 4.279 4.370 -0.091 17579 6323 1 10 . 1 1 101 101 LYS C C 136 175.145 175.145 176.757 -1.612 17579 6324 1 10 . 1 1 101 101 LYS CA C 136 56.875 56.875 57.490 -0.615 17579 6325 1 10 . 1 1 101 101 LYS CB C 136 32.987 32.987 33.399 -0.412 17579 6326 1 10 . 1 1 101 101 LYS H H 136 8.148 8.148 8.192 -0.044 17579 6327 1 10 . 1 1 102 102 ASN N N 137 118.958 118.958 114.814 4.144 17579 6328 1 10 . 1 1 102 102 ASN HA H 137 4.707 4.707 4.797 -0.090 17579 6329 1 10 . 1 1 102 102 ASN C C 137 175.849 175.849 175.932 -0.083 17579 6330 1 10 . 1 1 102 102 ASN CA C 137 53.816 53.816 53.864 -0.048 17579 6331 1 10 . 1 1 102 102 ASN CB C 137 39.070 39.070 39.182 -0.112 17579 6332 1 10 . 1 1 102 102 ASN H H 137 8.406 8.406 7.948 0.458 17579 6333 1 10 . 1 1 103 103 LYS N N 138 121.782 121.782 121.083 0.699 17579 6334 1 10 . 1 1 103 103 LYS HA H 138 4.255 4.255 4.181 0.074 17579 6335 1 10 . 1 1 103 103 LYS CA C 138 56.641 56.641 59.133 -2.492 17579 6336 1 10 . 1 1 103 103 LYS CB C 138 32.911 32.911 32.394 0.517 17579 6337 1 10 . 1 1 103 103 LYS H H 138 8.316 8.316 8.133 0.183 17579 6338 1 10 . 1 1 104 104 GLU N N 139 121.053 121.053 119.500 1.553 17579 6339 1 10 . 1 1 104 104 GLU CA C 139 57.449 57.449 59.698 -2.249 17579 6340 1 10 . 1 1 104 104 GLU CB C 139 29.983 29.983 28.803 1.180 17579 6341 1 10 . 1 1 104 104 GLU H H 139 8.459 8.459 8.654 -0.195 17579 6342 1 10 . 1 1 106 106 GLU N N 141 122.191 122.191 119.291 2.900 17579 6343 1 10 . 1 1 106 106 GLU HA H 141 4.268 4.268 4.065 0.203 17579 6344 1 10 . 1 1 106 106 GLU CA C 141 64.025 64.025 59.301 4.724 17579 6345 1 10 . 1 1 106 106 GLU CB C 141 32.117 32.117 29.454 2.663 17579 6346 1 10 . 1 1 106 106 GLU H H 141 8.291 8.291 7.754 0.537 17579 6347 1 10 . 1 1 107 107 TYR N N 142 115.802 115.802 121.463 -5.661 17579 6348 1 10 . 1 1 107 107 TYR HA H 142 4.996 4.996 4.005 0.991 17579 6349 1 10 . 1 1 107 107 TYR C C 142 175.381 175.381 177.193 -1.812 17579 6350 1 10 . 1 1 107 107 TYR CA C 142 57.581 57.581 61.858 -4.277 17579 6351 1 10 . 1 1 107 107 TYR CB C 142 39.533 39.533 38.086 1.448 17579 6352 1 10 . 1 1 107 107 TYR H H 142 7.344 7.344 9.034 -1.690 17579 6353 1 10 . 1 1 108 108 LYS N N 143 123.473 123.473 119.311 4.162 17579 6354 1 10 . 1 1 108 108 LYS HA H 143 3.628 3.628 3.438 0.190 17579 6355 1 10 . 1 1 108 108 LYS C C 143 177.659 177.659 178.561 -0.902 17579 6356 1 10 . 1 1 108 108 LYS CA C 143 59.988 59.988 59.048 0.939 17579 6357 1 10 . 1 1 108 108 LYS CB C 143 32.294 32.294 31.631 0.663 17579 6358 1 10 . 1 1 108 108 LYS H H 143 7.376 7.376 8.351 -0.975 17579 6359 1 10 . 1 1 109 109 GLU N N 144 118.799 118.799 118.777 0.022 17579 6360 1 10 . 1 1 109 109 GLU HA H 144 4.048 4.048 3.935 0.113 17579 6361 1 10 . 1 1 109 109 GLU C C 144 179.583 179.583 178.728 0.855 17579 6362 1 10 . 1 1 109 109 GLU CA C 144 60.200 60.200 59.726 0.474 17579 6363 1 10 . 1 1 109 109 GLU CB C 144 29.237 29.237 29.563 -0.326 17579 6364 1 10 . 1 1 109 109 GLU H H 144 8.558 8.558 8.046 0.512 17579 6365 1 10 . 1 1 110 110 SER N N 145 116.121 116.121 115.279 0.842 17579 6366 1 10 . 1 1 110 110 SER HA H 145 4.319 4.319 4.147 0.172 17579 6367 1 10 . 1 1 110 110 SER C C 145 176.522 176.522 176.662 -0.140 17579 6368 1 10 . 1 1 110 110 SER CA C 145 61.990 61.990 61.791 0.199 17579 6369 1 10 . 1 1 110 110 SER CB C 145 63.293 63.293 63.104 0.189 17579 6370 1 10 . 1 1 110 110 SER H H 145 8.094 8.094 8.201 -0.107 17579 6371 1 10 . 1 1 111 111 PHE N N 146 122.311 122.311 121.609 0.702 17579 6372 1 10 . 1 1 111 111 PHE HA H 146 4.021 4.021 4.072 -0.051 17579 6373 1 10 . 1 1 111 111 PHE C C 146 176.001 176.001 176.984 -0.983 17579 6374 1 10 . 1 1 111 111 PHE CA C 146 62.504 62.504 60.222 2.282 17579 6375 1 10 . 1 1 111 111 PHE CB C 146 39.861 39.861 38.569 1.292 17579 6376 1 10 . 1 1 111 111 PHE H H 146 8.536 8.536 8.599 -0.063 17579 6377 1 10 . 1 1 112 112 ASN N N 147 117.908 117.908 117.227 0.681 17579 6378 1 10 . 1 1 112 112 ASN HA H 147 4.252 4.252 4.146 0.106 17579 6379 1 10 . 1 1 112 112 ASN C C 147 178.315 178.315 177.337 0.978 17579 6380 1 10 . 1 1 112 112 ASN CA C 147 56.226 56.226 56.721 -0.495 17579 6381 1 10 . 1 1 112 112 ASN CB C 147 37.990 37.990 38.395 -0.405 17579 6382 1 10 . 1 1 112 112 ASN H H 147 8.795 8.795 8.673 0.122 17579 6383 1 10 . 1 1 113 113 GLU N N 148 119.868 119.868 120.862 -0.994 17579 6384 1 10 . 1 1 113 113 GLU HA H 148 4.024 4.024 3.975 0.049 17579 6385 1 10 . 1 1 113 113 GLU C C 148 179.410 179.410 178.668 0.742 17579 6386 1 10 . 1 1 113 113 GLU CA C 148 59.710 59.710 59.423 0.287 17579 6387 1 10 . 1 1 113 113 GLU CB C 148 30.063 30.063 29.583 0.480 17579 6388 1 10 . 1 1 113 113 GLU H H 148 7.764 7.764 7.794 -0.030 17579 6389 1 10 . 1 1 114 114 VAL N N 149 119.684 119.684 117.990 1.694 17579 6390 1 10 . 1 1 114 114 VAL HA H 149 3.544 3.544 3.598 -0.054 17579 6391 1 10 . 1 1 114 114 VAL C C 149 177.613 177.613 178.080 -0.467 17579 6392 1 10 . 1 1 114 114 VAL CA C 149 66.977 66.977 66.212 0.765 17579 6393 1 10 . 1 1 114 114 VAL CB C 149 30.605 30.605 30.994 -0.389 17579 6394 1 10 . 1 1 114 114 VAL H H 149 7.973 7.973 7.985 -0.012 17579 6395 1 10 . 1 1 115 115 VAL N N 150 119.782 119.782 121.412 -1.630 17579 6396 1 10 . 1 1 115 115 VAL HA H 150 3.164 3.164 3.378 -0.214 17579 6397 1 10 . 1 1 115 115 VAL C C 150 177.499 177.499 177.957 -0.458 17579 6398 1 10 . 1 1 115 115 VAL CA C 150 68.301 68.301 66.396 1.905 17579 6399 1 10 . 1 1 115 115 VAL CB C 150 31.483 31.483 30.344 1.139 17579 6400 1 10 . 1 1 115 115 VAL H H 150 8.452 8.452 8.395 0.057 17579 6401 1 10 . 1 1 116 116 LYS N N 151 118.842 118.842 118.630 0.212 17579 6402 1 10 . 1 1 116 116 LYS HA H 151 4.024 4.024 3.835 0.189 17579 6403 1 10 . 1 1 116 116 LYS C C 151 179.862 179.862 179.023 0.839 17579 6404 1 10 . 1 1 116 116 LYS CA C 151 59.947 59.947 59.490 0.457 17579 6405 1 10 . 1 1 116 116 LYS CB C 151 32.481 32.481 31.851 0.630 17579 6406 1 10 . 1 1 116 116 LYS H H 151 7.595 7.595 7.703 -0.108 17579 6407 1 10 . 1 1 117 117 GLU N N 152 120.243 120.243 119.451 0.792 17579 6408 1 10 . 1 1 117 117 GLU HA H 152 4.052 4.052 4.050 0.002 17579 6409 1 10 . 1 1 117 117 GLU C C 152 179.528 179.528 178.902 0.626 17579 6410 1 10 . 1 1 117 117 GLU CA C 152 60.178 60.178 59.356 0.822 17579 6411 1 10 . 1 1 117 117 GLU CB C 152 29.949 29.949 29.201 0.748 17579 6412 1 10 . 1 1 117 117 GLU H H 152 7.513 7.513 8.006 -0.493 17579 6413 1 10 . 1 1 118 118 VAL N N 153 120.596 120.596 120.144 0.452 17579 6414 1 10 . 1 1 118 118 VAL HA H 153 3.464 3.464 3.600 -0.136 17579 6415 1 10 . 1 1 118 118 VAL C C 153 177.984 177.984 178.212 -0.228 17579 6416 1 10 . 1 1 118 118 VAL CA C 153 68.047 68.047 65.961 2.086 17579 6417 1 10 . 1 1 118 118 VAL CB C 153 32.056 32.056 30.829 1.227 17579 6418 1 10 . 1 1 118 118 VAL H H 153 8.649 8.649 7.683 0.966 17579 6419 1 10 . 1 1 119 119 GLN N N 154 118.317 118.317 119.174 -0.857 17579 6420 1 10 . 1 1 119 119 GLN HA H 154 3.986 3.986 4.084 -0.098 17579 6421 1 10 . 1 1 119 119 GLN C C 154 178.984 178.984 177.916 1.068 17579 6422 1 10 . 1 1 119 119 GLN CA C 154 59.716 59.716 58.058 1.658 17579 6423 1 10 . 1 1 119 119 GLN CB C 154 28.261 28.261 28.994 -0.733 17579 6424 1 10 . 1 1 119 119 GLN H H 154 8.947 8.947 8.001 0.946 17579 6425 1 10 . 1 1 120 120 ALA N N 155 120.688 120.688 121.996 -1.308 17579 6426 1 10 . 1 1 120 120 ALA HA H 155 3.484 3.484 4.118 -0.634 17579 6427 1 10 . 1 1 120 120 ALA C C 155 180.759 180.759 178.191 2.568 17579 6428 1 10 . 1 1 120 120 ALA CA C 155 55.257 55.257 53.447 1.810 17579 6429 1 10 . 1 1 120 120 ALA CB C 155 18.446 18.446 19.138 -0.692 17579 6430 1 10 . 1 1 120 120 ALA H H 155 7.494 7.494 7.941 -0.447 17579 6431 1 11 . 1 1 2 2 LYS N N 37 124.936 124.936 123.483 1.453 17579 6432 1 11 . 1 1 2 2 LYS HA H 37 4.053 4.053 4.087 -0.034 17579 6433 1 11 . 1 1 2 2 LYS C C 37 172.929 172.929 178.364 -5.435 17579 6434 1 11 . 1 1 2 2 LYS CA C 37 60.975 60.975 59.193 1.782 17579 6435 1 11 . 1 1 2 2 LYS CB C 37 32.607 32.607 32.164 0.443 17579 6436 1 11 . 1 1 2 2 LYS H H 37 7.564 7.564 8.660 -1.096 17579 6437 1 11 . 1 1 3 3 LYS N N 38 118.300 118.300 119.227 -0.927 17579 6438 1 11 . 1 1 3 3 LYS HA H 38 4.045 4.045 4.204 -0.159 17579 6439 1 11 . 1 1 3 3 LYS C C 38 179.361 179.361 178.522 0.839 17579 6440 1 11 . 1 1 3 3 LYS CA C 38 59.930 59.930 58.561 1.369 17579 6441 1 11 . 1 1 3 3 LYS CB C 38 32.885 32.885 32.081 0.804 17579 6442 1 11 . 1 1 3 3 LYS H H 38 8.234 8.234 8.348 -0.114 17579 6443 1 11 . 1 1 4 4 LEU N N 39 122.081 122.081 122.081 0.000 17579 6444 1 11 . 1 1 4 4 LEU HA H 39 4.135 4.135 3.908 0.227 17579 6445 1 11 . 1 1 4 4 LEU C C 39 178.433 178.433 177.988 0.445 17579 6446 1 11 . 1 1 4 4 LEU CA C 39 57.726 57.726 58.668 -0.942 17579 6447 1 11 . 1 1 4 4 LEU CB C 39 40.588 40.588 41.882 -1.294 17579 6448 1 11 . 1 1 4 4 LEU H H 39 7.856 7.856 7.807 0.049 17579 6449 1 11 . 1 1 5 5 ASN N N 40 118.758 118.758 117.012 1.746 17579 6450 1 11 . 1 1 5 5 ASN HA H 40 3.994 3.994 4.252 -0.258 17579 6451 1 11 . 1 1 5 5 ASN C C 40 176.246 176.246 177.268 -1.022 17579 6452 1 11 . 1 1 5 5 ASN CA C 40 57.843 57.843 56.465 1.378 17579 6453 1 11 . 1 1 5 5 ASN CB C 40 40.430 40.430 38.439 1.991 17579 6454 1 11 . 1 1 5 5 ASN H H 40 9.241 9.241 8.015 1.226 17579 6455 1 11 . 1 1 6 6 LYS N N 41 115.665 115.665 119.682 -4.017 17579 6456 1 11 . 1 1 6 6 LYS HA H 41 3.929 3.929 3.902 0.027 17579 6457 1 11 . 1 1 6 6 LYS C C 41 179.318 179.318 179.095 0.223 17579 6458 1 11 . 1 1 6 6 LYS CA C 41 60.130 60.130 59.227 0.903 17579 6459 1 11 . 1 1 6 6 LYS CB C 41 32.580 32.580 31.884 0.697 17579 6460 1 11 . 1 1 6 6 LYS H H 41 7.239 7.239 7.525 -0.286 17579 6461 1 11 . 1 1 7 7 LYS N N 42 119.038 119.038 119.484 -0.446 17579 6462 1 11 . 1 1 7 7 LYS HA H 42 4.037 4.037 4.029 0.008 17579 6463 1 11 . 1 1 7 7 LYS C C 42 180.428 180.428 179.078 1.350 17579 6464 1 11 . 1 1 7 7 LYS CA C 42 60.178 60.178 59.285 0.893 17579 6465 1 11 . 1 1 7 7 LYS CB C 42 33.670 33.670 32.268 1.402 17579 6466 1 11 . 1 1 7 7 LYS H H 42 7.358 7.358 7.937 -0.579 17579 6467 1 11 . 1 1 8 8 VAL N N 43 122.489 122.489 119.591 2.898 17579 6468 1 11 . 1 1 8 8 VAL HA H 43 3.263 3.263 3.678 -0.415 17579 6469 1 11 . 1 1 8 8 VAL C C 43 177.823 177.823 178.405 -0.582 17579 6470 1 11 . 1 1 8 8 VAL CA C 43 67.836 67.836 66.736 1.100 17579 6471 1 11 . 1 1 8 8 VAL CB C 43 31.523 31.523 31.403 0.120 17579 6472 1 11 . 1 1 8 8 VAL H H 43 9.167 9.167 8.121 1.046 17579 6473 1 11 . 1 1 9 9 LEU N N 44 119.740 119.740 119.789 -0.049 17579 6474 1 11 . 1 1 9 9 LEU HA H 44 3.964 3.964 3.832 0.132 17579 6475 1 11 . 1 1 9 9 LEU C C 44 179.700 179.700 179.272 0.428 17579 6476 1 11 . 1 1 9 9 LEU CA C 44 58.742 58.742 58.569 0.173 17579 6477 1 11 . 1 1 9 9 LEU CB C 44 41.239 41.239 41.102 0.137 17579 6478 1 11 . 1 1 9 9 LEU H H 44 8.437 8.437 8.365 0.072 17579 6479 1 11 . 1 1 10 10 LYS N N 45 119.832 119.832 118.868 0.964 17579 6480 1 11 . 1 1 10 10 LYS HA H 45 4.013 4.013 4.029 -0.016 17579 6481 1 11 . 1 1 10 10 LYS C C 45 178.847 178.847 179.148 -0.301 17579 6482 1 11 . 1 1 10 10 LYS CA C 45 60.146 60.146 59.750 0.396 17579 6483 1 11 . 1 1 10 10 LYS CB C 45 32.583 32.583 32.016 0.567 17579 6484 1 11 . 1 1 10 10 LYS H H 45 7.857 7.857 8.232 -0.375 17579 6485 1 11 . 1 1 11 11 THR N N 46 116.695 116.695 117.672 -0.977 17579 6486 1 11 . 1 1 11 11 THR HA H 46 4.327 4.327 4.095 0.232 17579 6487 1 11 . 1 1 11 11 THR C C 46 176.211 176.211 176.363 -0.152 17579 6488 1 11 . 1 1 11 11 THR CA C 46 68.237 68.237 67.658 0.579 17579 6489 1 11 . 1 1 11 11 THR CB C 46 68.312 68.312 68.841 -0.529 17579 6490 1 11 . 1 1 11 11 THR H H 46 7.796 7.796 7.992 -0.196 17579 6491 1 11 . 1 1 12 12 VAL N N 47 122.013 122.013 121.793 0.220 17579 6492 1 11 . 1 1 12 12 VAL HA H 47 3.235 3.235 3.736 -0.501 17579 6493 1 11 . 1 1 12 12 VAL C C 47 177.909 177.909 177.089 0.820 17579 6494 1 11 . 1 1 12 12 VAL CA C 47 67.838 67.838 65.996 1.842 17579 6495 1 11 . 1 1 12 12 VAL CB C 47 31.706 31.706 31.773 -0.067 17579 6496 1 11 . 1 1 12 12 VAL H H 47 8.762 8.762 8.263 0.499 17579 6497 1 11 . 1 1 13 13 LYS N N 48 118.035 118.035 119.571 -1.536 17579 6498 1 11 . 1 1 13 13 LYS HA H 48 3.828 3.828 4.013 -0.185 17579 6499 1 11 . 1 1 13 13 LYS CA C 48 59.960 59.960 59.328 0.632 17579 6500 1 11 . 1 1 13 13 LYS CB C 48 32.837 32.837 32.246 0.591 17579 6501 1 11 . 1 1 13 13 LYS H H 48 7.492 7.492 8.278 -0.786 17579 6502 1 11 . 1 1 14 14 LYS N N 49 120.565 120.565 117.023 3.542 17579 6503 1 11 . 1 1 14 14 LYS HA H 49 3.952 3.952 4.154 -0.202 17579 6504 1 11 . 1 1 14 14 LYS C C 49 179.608 179.608 179.088 0.520 17579 6505 1 11 . 1 1 14 14 LYS CA C 49 59.950 59.950 58.346 1.604 17579 6506 1 11 . 1 1 14 14 LYS CB C 49 33.723 33.723 32.612 1.111 17579 6507 1 11 . 1 1 14 14 LYS H H 49 7.498 7.498 7.886 -0.388 17579 6508 1 11 . 1 1 15 15 ALA N N 50 122.192 122.192 122.067 0.125 17579 6509 1 11 . 1 1 15 15 ALA HA H 50 3.467 3.467 3.785 -0.318 17579 6510 1 11 . 1 1 15 15 ALA C C 50 179.970 179.970 179.303 0.667 17579 6511 1 11 . 1 1 15 15 ALA CA C 50 54.950 54.950 54.392 0.557 17579 6512 1 11 . 1 1 15 15 ALA CB C 50 19.270 19.270 17.545 1.725 17579 6513 1 11 . 1 1 15 15 ALA H H 50 8.529 8.529 7.970 0.559 17579 6514 1 11 . 1 1 16 16 SER N N 51 116.624 116.624 112.799 3.825 17579 6515 1 11 . 1 1 16 16 SER HA H 51 4.696 4.696 4.147 0.549 17579 6516 1 11 . 1 1 16 16 SER C C 51 178.705 178.705 176.098 2.607 17579 6517 1 11 . 1 1 16 16 SER CA C 51 62.206 62.206 60.761 1.446 17579 6518 1 11 . 1 1 16 16 SER CB C 51 62.918 62.918 62.958 -0.040 17579 6519 1 11 . 1 1 16 16 SER H H 51 8.542 8.542 8.069 0.473 17579 6520 1 11 . 1 1 17 17 LYS N N 52 124.866 124.866 120.578 4.288 17579 6521 1 11 . 1 1 17 17 LYS HA H 52 4.051 4.051 4.218 -0.167 17579 6522 1 11 . 1 1 17 17 LYS C C 52 177.563 177.563 176.968 0.595 17579 6523 1 11 . 1 1 17 17 LYS CA C 52 59.290 59.290 57.185 2.104 17579 6524 1 11 . 1 1 17 17 LYS CB C 52 32.104 32.104 32.691 -0.587 17579 6525 1 11 . 1 1 17 17 LYS H H 52 7.553 7.553 7.308 0.245 17579 6526 1 11 . 1 1 18 18 ALA N N 53 118.801 118.801 120.161 -1.360 17579 6527 1 11 . 1 1 18 18 ALA HA H 53 4.280 4.280 4.461 -0.181 17579 6528 1 11 . 1 1 18 18 ALA C C 53 175.253 175.253 176.542 -1.289 17579 6529 1 11 . 1 1 18 18 ALA CA C 53 52.222 52.222 51.305 0.917 17579 6530 1 11 . 1 1 18 18 ALA CB C 53 19.566 19.566 19.046 0.520 17579 6531 1 11 . 1 1 18 18 ALA H H 53 7.092 7.092 7.488 -0.396 17579 6532 1 11 . 1 1 19 19 LYS N N 54 112.119 112.119 117.350 -5.231 17579 6533 1 11 . 1 1 19 19 LYS HA H 54 4.027 4.027 3.925 0.102 17579 6534 1 11 . 1 1 19 19 LYS C C 54 177.191 177.191 175.413 1.778 17579 6535 1 11 . 1 1 19 19 LYS CA C 54 57.435 57.435 57.224 0.211 17579 6536 1 11 . 1 1 19 19 LYS CB C 54 28.420 28.420 30.140 -1.720 17579 6537 1 11 . 1 1 19 19 LYS H H 54 7.644 7.644 7.750 -0.106 17579 6538 1 11 . 1 1 20 20 ASN N N 55 116.236 116.236 114.361 1.875 17579 6539 1 11 . 1 1 20 20 ASN HA H 55 5.090 5.090 4.766 0.324 17579 6540 1 11 . 1 1 20 20 ASN C C 55 173.176 173.176 174.114 -0.938 17579 6541 1 11 . 1 1 20 20 ASN CA C 55 51.617 51.617 53.669 -2.052 17579 6542 1 11 . 1 1 20 20 ASN CB C 55 40.642 40.642 41.057 -0.415 17579 6543 1 11 . 1 1 20 20 ASN H H 55 8.099 8.099 7.880 0.219 17579 6544 1 11 . 1 1 21 21 VAL N N 56 115.268 115.268 118.472 -3.204 17579 6545 1 11 . 1 1 21 21 VAL HA H 56 4.864 4.864 4.211 0.653 17579 6546 1 11 . 1 1 21 21 VAL C C 56 175.526 175.526 174.276 1.250 17579 6547 1 11 . 1 1 21 21 VAL CA C 56 61.314 61.314 60.460 0.854 17579 6548 1 11 . 1 1 21 21 VAL CB C 56 35.532 35.532 33.157 2.375 17579 6549 1 11 . 1 1 21 21 VAL H H 56 7.621 7.621 7.657 -0.036 17579 6550 1 11 . 1 1 22 22 LYS N N 57 126.903 126.903 129.391 -2.488 17579 6551 1 11 . 1 1 22 22 LYS HA H 57 4.682 4.682 4.740 -0.058 17579 6552 1 11 . 1 1 22 22 LYS C C 57 175.564 175.564 175.105 0.459 17579 6553 1 11 . 1 1 22 22 LYS CA C 57 54.694 54.694 54.102 0.592 17579 6554 1 11 . 1 1 22 22 LYS CB C 57 33.975 33.975 33.368 0.607 17579 6555 1 11 . 1 1 22 22 LYS H H 57 9.006 9.006 8.535 0.471 17579 6556 1 11 . 1 1 23 23 ARG N N 58 122.053 122.053 123.214 -1.161 17579 6557 1 11 . 1 1 23 23 ARG HA H 58 4.850 4.850 4.487 0.363 17579 6558 1 11 . 1 1 23 23 ARG C C 58 176.136 176.136 176.443 -0.307 17579 6559 1 11 . 1 1 23 23 ARG CA C 58 56.100 56.100 55.312 0.788 17579 6560 1 11 . 1 1 23 23 ARG CB C 58 33.752 33.752 31.669 2.083 17579 6561 1 11 . 1 1 23 23 ARG H H 58 8.994 8.994 8.922 0.072 17579 6562 1 11 . 1 1 24 24 GLY N N 59 110.836 110.836 109.148 1.688 17579 6563 1 11 . 1 1 24 24 GLY C C 59 173.053 173.053 174.240 -1.187 17579 6564 1 11 . 1 1 24 24 GLY CA C 59 45.028 45.028 44.365 0.663 17579 6565 1 11 . 1 1 24 24 GLY H H 59 8.205 8.205 8.333 -0.128 17579 6566 1 11 . 1 1 25 25 VAL N N 60 119.573 119.573 122.258 -2.685 17579 6567 1 11 . 1 1 25 25 VAL HA H 60 4.117 4.117 3.804 0.313 17579 6568 1 11 . 1 1 25 25 VAL C C 60 176.366 176.366 177.245 -0.879 17579 6569 1 11 . 1 1 25 25 VAL CA C 60 67.542 67.542 65.510 2.031 17579 6570 1 11 . 1 1 25 25 VAL CB C 60 32.147 32.147 31.971 0.175 17579 6571 1 11 . 1 1 25 25 VAL H H 60 8.219 8.219 8.563 -0.344 17579 6572 1 11 . 1 1 26 26 LYS N N 61 117.987 117.987 119.361 -1.374 17579 6573 1 11 . 1 1 26 26 LYS HA H 61 3.896 3.896 4.006 -0.110 17579 6574 1 11 . 1 1 26 26 LYS C C 61 180.230 180.230 178.554 1.676 17579 6575 1 11 . 1 1 26 26 LYS CA C 61 60.492 60.492 60.064 0.428 17579 6576 1 11 . 1 1 26 26 LYS CB C 61 32.356 32.356 31.976 0.380 17579 6577 1 11 . 1 1 26 26 LYS H H 61 8.112 8.112 8.472 -0.360 17579 6578 1 11 . 1 1 27 27 GLU N N 62 117.610 117.610 119.019 -1.409 17579 6579 1 11 . 1 1 27 27 GLU HA H 62 3.937 3.937 4.067 -0.131 17579 6580 1 11 . 1 1 27 27 GLU C C 62 180.103 180.103 179.309 0.794 17579 6581 1 11 . 1 1 27 27 GLU CA C 62 59.119 59.119 59.429 -0.310 17579 6582 1 11 . 1 1 27 27 GLU CB C 62 30.052 30.052 29.102 0.950 17579 6583 1 11 . 1 1 27 27 GLU H H 62 8.493 8.493 8.358 0.135 17579 6584 1 11 . 1 1 28 28 VAL N N 63 120.585 120.585 121.198 -0.613 17579 6585 1 11 . 1 1 28 28 VAL HA H 63 3.478 3.478 3.792 -0.314 17579 6586 1 11 . 1 1 28 28 VAL C C 63 176.970 176.970 177.675 -0.705 17579 6587 1 11 . 1 1 28 28 VAL CA C 63 68.197 68.197 67.518 0.679 17579 6588 1 11 . 1 1 28 28 VAL CB C 63 31.632 31.632 32.130 -0.498 17579 6589 1 11 . 1 1 28 28 VAL H H 63 8.241 8.241 7.949 0.292 17579 6590 1 11 . 1 1 29 29 VAL N N 64 118.622 118.622 119.037 -0.415 17579 6591 1 11 . 1 1 29 29 VAL HA H 64 3.333 3.333 3.564 -0.231 17579 6592 1 11 . 1 1 29 29 VAL C C 64 177.709 177.709 177.575 0.134 17579 6593 1 11 . 1 1 29 29 VAL CA C 64 67.751 67.751 66.364 1.387 17579 6594 1 11 . 1 1 29 29 VAL CB C 64 31.553 31.553 31.570 -0.017 17579 6595 1 11 . 1 1 29 29 VAL H H 64 8.510 8.510 8.028 0.482 17579 6596 1 11 . 1 1 30 30 LYS N N 65 118.138 118.138 119.549 -1.411 17579 6597 1 11 . 1 1 30 30 LYS HA H 65 3.855 3.855 3.999 -0.144 17579 6598 1 11 . 1 1 30 30 LYS C C 65 178.693 178.693 178.521 0.172 17579 6599 1 11 . 1 1 30 30 LYS CA C 65 59.986 59.986 59.651 0.335 17579 6600 1 11 . 1 1 30 30 LYS CB C 65 32.800 32.800 32.357 0.443 17579 6601 1 11 . 1 1 30 30 LYS H H 65 7.533 7.533 8.110 -0.577 17579 6602 1 11 . 1 1 31 31 ALA N N 66 120.585 120.585 121.431 -0.846 17579 6603 1 11 . 1 1 31 31 ALA HA H 66 4.049 4.049 4.098 -0.049 17579 6604 1 11 . 1 1 31 31 ALA C C 66 179.745 179.745 178.768 0.977 17579 6605 1 11 . 1 1 31 31 ALA CA C 66 55.288 55.288 54.455 0.833 17579 6606 1 11 . 1 1 31 31 ALA CB C 66 19.207 19.207 18.203 1.004 17579 6607 1 11 . 1 1 31 31 ALA H H 66 7.489 7.489 7.894 -0.405 17579 6608 1 11 . 1 1 32 32 LEU N N 67 119.402 119.402 115.684 3.718 17579 6609 1 11 . 1 1 32 32 LEU HA H 67 3.976 3.976 4.275 -0.299 17579 6610 1 11 . 1 1 32 32 LEU C C 67 180.917 180.917 178.418 2.499 17579 6611 1 11 . 1 1 32 32 LEU CA C 67 58.115 58.115 56.846 1.269 17579 6612 1 11 . 1 1 32 32 LEU CB C 67 42.554 42.554 41.980 0.574 17579 6613 1 11 . 1 1 32 32 LEU H H 67 8.332 8.332 7.587 0.745 17579 6614 1 11 . 1 1 33 33 ARG N N 68 116.408 116.408 119.106 -2.698 17579 6615 1 11 . 1 1 33 33 ARG HA H 68 3.787 3.787 4.165 -0.378 17579 6616 1 11 . 1 1 33 33 ARG C C 68 178.472 178.472 178.034 0.438 17579 6617 1 11 . 1 1 33 33 ARG CA C 68 59.581 59.581 58.383 1.198 17579 6618 1 11 . 1 1 33 33 ARG CB C 68 29.946 29.946 30.590 -0.644 17579 6619 1 11 . 1 1 33 33 ARG H H 68 8.147 8.147 8.062 0.085 17579 6620 1 11 . 1 1 34 34 LYS N N 69 117.866 117.866 117.897 -0.031 17579 6621 1 11 . 1 1 34 34 LYS HA H 69 4.232 4.232 4.252 -0.020 17579 6622 1 11 . 1 1 34 34 LYS C C 69 177.005 177.005 176.942 0.063 17579 6623 1 11 . 1 1 34 34 LYS CA C 69 56.788 56.788 56.508 0.280 17579 6624 1 11 . 1 1 34 34 LYS CB C 69 33.008 33.008 32.346 0.662 17579 6625 1 11 . 1 1 34 34 LYS H H 69 7.606 7.606 8.196 -0.590 17579 6626 1 11 . 1 1 35 35 GLY N N 70 106.799 106.799 104.554 2.245 17579 6627 1 11 . 1 1 35 35 GLY C C 70 175.547 175.547 174.590 0.957 17579 6628 1 11 . 1 1 35 35 GLY CA C 70 45.969 45.969 45.223 0.746 17579 6629 1 11 . 1 1 35 35 GLY H H 70 7.678 7.678 7.993 -0.315 17579 6630 1 11 . 1 1 36 36 GLU N N 71 119.492 119.492 122.548 -3.056 17579 6631 1 11 . 1 1 36 36 GLU HA H 71 4.199 4.199 4.268 -0.069 17579 6632 1 11 . 1 1 36 36 GLU C C 71 175.625 175.625 175.450 0.175 17579 6633 1 11 . 1 1 36 36 GLU CA C 71 57.696 57.696 55.533 2.163 17579 6634 1 11 . 1 1 36 36 GLU CB C 71 29.620 29.620 28.331 1.289 17579 6635 1 11 . 1 1 36 36 GLU H H 71 7.686 7.686 8.524 -0.838 17579 6636 1 11 . 1 1 37 37 LYS N N 72 118.433 118.433 120.669 -2.236 17579 6637 1 11 . 1 1 37 37 LYS HA H 72 4.863 4.863 4.524 0.339 17579 6638 1 11 . 1 1 37 37 LYS C C 72 175.983 175.983 176.255 -0.272 17579 6639 1 11 . 1 1 37 37 LYS CA C 72 54.299 54.299 54.277 0.022 17579 6640 1 11 . 1 1 37 37 LYS CB C 72 35.140 35.140 33.938 1.202 17579 6641 1 11 . 1 1 37 37 LYS H H 72 8.202 8.202 7.750 0.452 17579 6642 1 11 . 1 1 38 38 GLY N N 73 104.719 104.719 107.574 -2.855 17579 6643 1 11 . 1 1 38 38 GLY C C 73 172.071 172.071 173.317 -1.246 17579 6644 1 11 . 1 1 38 38 GLY CA C 73 46.798 46.798 46.081 0.716 17579 6645 1 11 . 1 1 38 38 GLY H H 73 7.214 7.214 8.932 -1.718 17579 6646 1 11 . 1 1 39 39 LEU N N 74 125.471 125.471 123.036 2.435 17579 6647 1 11 . 1 1 39 39 LEU HA H 74 4.992 4.992 4.953 0.039 17579 6648 1 11 . 1 1 39 39 LEU C C 74 174.651 174.651 174.651 0.000 17579 6649 1 11 . 1 1 39 39 LEU CA C 74 54.686 54.686 54.676 0.010 17579 6650 1 11 . 1 1 39 39 LEU CB C 74 47.360 47.360 45.822 1.538 17579 6651 1 11 . 1 1 39 39 LEU H H 74 8.930 8.930 8.266 0.664 17579 6652 1 11 . 1 1 40 40 VAL N N 75 130.975 130.975 128.784 2.191 17579 6653 1 11 . 1 1 40 40 VAL HA H 75 4.649 4.649 3.988 0.661 17579 6654 1 11 . 1 1 40 40 VAL C C 75 173.868 173.868 175.377 -1.509 17579 6655 1 11 . 1 1 40 40 VAL CA C 75 62.513 62.513 60.049 2.464 17579 6656 1 11 . 1 1 40 40 VAL CB C 75 32.856 32.856 30.111 2.745 17579 6657 1 11 . 1 1 40 40 VAL H H 75 8.549 8.549 8.968 -0.419 17579 6658 1 11 . 1 1 41 41 VAL N N 76 127.452 127.452 129.484 -2.032 17579 6659 1 11 . 1 1 41 41 VAL HA H 76 4.645 4.645 4.319 0.326 17579 6660 1 11 . 1 1 41 41 VAL C C 76 173.931 173.931 175.193 -1.262 17579 6661 1 11 . 1 1 41 41 VAL CA C 76 61.015 61.015 61.312 -0.297 17579 6662 1 11 . 1 1 41 41 VAL CB C 76 33.844 33.844 30.851 2.993 17579 6663 1 11 . 1 1 41 41 VAL H H 76 8.754 8.754 8.430 0.324 17579 6664 1 11 . 1 1 42 42 ILE N N 77 126.301 126.301 127.959 -1.658 17579 6665 1 11 . 1 1 42 42 ILE HA H 77 4.455 4.455 5.111 -0.656 17579 6666 1 11 . 1 1 42 42 ILE C C 77 174.965 174.965 174.403 0.562 17579 6667 1 11 . 1 1 42 42 ILE CA C 77 59.842 59.842 57.915 1.927 17579 6668 1 11 . 1 1 42 42 ILE CB C 77 40.257 40.257 40.204 0.053 17579 6669 1 11 . 1 1 42 42 ILE H H 77 8.530 8.530 8.612 -0.082 17579 6670 1 11 . 1 1 43 43 ALA N N 78 128.716 128.716 129.377 -0.661 17579 6671 1 11 . 1 1 43 43 ALA HA H 78 4.469 4.469 4.741 -0.272 17579 6672 1 11 . 1 1 43 43 ALA C C 78 177.979 177.979 177.964 0.015 17579 6673 1 11 . 1 1 43 43 ALA CA C 78 52.398 52.398 50.251 2.147 17579 6674 1 11 . 1 1 43 43 ALA CB C 78 19.600 19.600 19.814 -0.214 17579 6675 1 11 . 1 1 43 43 ALA H H 78 8.538 8.538 8.387 0.151 17579 6676 1 11 . 1 1 44 44 GLY N N 79 104.343 104.343 108.656 -4.313 17579 6677 1 11 . 1 1 44 44 GLY C C 79 173.472 173.472 173.985 -0.513 17579 6678 1 11 . 1 1 44 44 GLY CA C 79 46.239 46.239 45.971 0.268 17579 6679 1 11 . 1 1 44 44 GLY H H 79 9.090 9.090 7.875 1.215 17579 6680 1 11 . 1 1 45 45 ASP N N 80 118.154 118.154 119.405 -1.251 17579 6681 1 11 . 1 1 45 45 ASP HA H 80 4.855 4.855 4.897 -0.042 17579 6682 1 11 . 1 1 45 45 ASP C C 80 176.500 176.500 175.271 1.229 17579 6683 1 11 . 1 1 45 45 ASP CA C 80 52.804 52.804 53.886 -1.082 17579 6684 1 11 . 1 1 45 45 ASP CB C 80 39.410 39.410 41.255 -1.845 17579 6685 1 11 . 1 1 45 45 ASP H H 80 8.603 8.603 8.208 0.395 17579 6686 1 11 . 1 1 46 46 ILE N N 81 118.477 118.477 116.370 2.107 17579 6687 1 11 . 1 1 46 46 ILE HA H 81 4.073 4.073 4.512 -0.439 17579 6688 1 11 . 1 1 46 46 ILE C C 81 173.822 173.822 175.841 -2.019 17579 6689 1 11 . 1 1 46 46 ILE CA C 81 59.882 59.882 61.489 -1.607 17579 6690 1 11 . 1 1 46 46 ILE CB C 81 39.136 39.136 39.199 -0.063 17579 6691 1 11 . 1 1 46 46 ILE H H 81 6.846 6.846 7.372 -0.526 17579 6692 1 11 . 1 1 47 47 SER N N 82 117.552 117.552 120.362 -2.810 17579 6693 1 11 . 1 1 47 47 SER HA H 82 4.628 4.628 4.463 0.165 17579 6694 1 11 . 1 1 47 47 SER C C 82 176.920 176.920 174.332 2.588 17579 6695 1 11 . 1 1 47 47 SER CA C 82 55.444 55.444 58.287 -2.843 17579 6696 1 11 . 1 1 47 47 SER CB C 82 65.268 65.268 63.653 1.615 17579 6697 1 11 . 1 1 47 47 SER H H 82 7.774 7.774 7.775 -0.001 17579 6698 1 11 . 1 1 48 48 PRO HA H 83 4.259 4.259 4.554 -0.295 17579 6699 1 11 . 1 1 48 48 PRO CA C 83 62.312 62.312 62.859 -0.547 17579 6700 1 11 . 1 1 48 48 PRO CB C 83 30.564 30.564 32.178 -1.614 17579 6701 1 11 . 1 1 49 49 ALA N N 84 122.207 122.207 119.679 2.528 17579 6702 1 11 . 1 1 49 49 ALA HA H 84 3.978 3.978 4.288 -0.310 17579 6703 1 11 . 1 1 49 49 ALA C C 84 178.699 178.699 179.067 -0.368 17579 6704 1 11 . 1 1 49 49 ALA CA C 84 54.704 54.704 53.959 0.745 17579 6705 1 11 . 1 1 49 49 ALA CB C 84 19.393 19.393 18.788 0.605 17579 6706 1 11 . 1 1 49 49 ALA H H 84 8.091 8.091 8.400 -0.309 17579 6707 1 11 . 1 1 50 50 ASP N N 85 113.440 113.440 120.124 -6.684 17579 6708 1 11 . 1 1 50 50 ASP HA H 85 4.338 4.338 4.428 -0.090 17579 6709 1 11 . 1 1 50 50 ASP C C 85 177.723 177.723 177.772 -0.049 17579 6710 1 11 . 1 1 50 50 ASP CA C 85 56.203 56.203 56.872 -0.669 17579 6711 1 11 . 1 1 50 50 ASP CB C 85 40.562 40.562 40.119 0.443 17579 6712 1 11 . 1 1 50 50 ASP H H 85 8.148 8.148 8.806 -0.658 17579 6713 1 11 . 1 1 51 51 VAL N N 86 116.604 116.604 116.457 0.147 17579 6714 1 11 . 1 1 51 51 VAL HA H 86 3.925 3.925 3.660 0.265 17579 6715 1 11 . 1 1 51 51 VAL C C 86 176.966 176.966 177.026 -0.060 17579 6716 1 11 . 1 1 51 51 VAL CA C 86 65.241 65.241 65.948 -0.707 17579 6717 1 11 . 1 1 51 51 VAL CB C 86 32.467 32.467 31.631 0.836 17579 6718 1 11 . 1 1 51 51 VAL H H 86 7.538 7.538 7.331 0.207 17579 6719 1 11 . 1 1 52 52 ILE N N 87 108.211 108.211 118.665 -10.454 17579 6720 1 11 . 1 1 52 52 ILE HA H 87 4.565 4.565 3.808 0.757 17579 6721 1 11 . 1 1 52 52 ILE C C 87 178.116 178.116 177.182 0.934 17579 6722 1 11 . 1 1 52 52 ILE CA C 87 60.165 60.165 63.530 -3.365 17579 6723 1 11 . 1 1 52 52 ILE CB C 87 41.048 41.048 37.456 3.592 17579 6724 1 11 . 1 1 52 52 ILE H H 87 7.283 7.283 7.705 -0.422 17579 6725 1 11 . 1 1 53 53 SER N N 88 116.088 116.088 115.337 0.751 17579 6726 1 11 . 1 1 53 53 SER HA H 88 4.538 4.538 4.321 0.217 17579 6727 1 11 . 1 1 53 53 SER CA C 88 61.852 61.852 60.657 1.195 17579 6728 1 11 . 1 1 53 53 SER CB C 88 62.604 62.604 63.723 -1.119 17579 6729 1 11 . 1 1 53 53 SER H H 88 7.845 7.845 7.914 -0.069 17579 6730 1 11 . 1 1 54 54 HIS N N 89 121.004 121.004 122.093 -1.089 17579 6731 1 11 . 1 1 54 54 HIS HA H 89 4.590 4.590 4.451 0.139 17579 6732 1 11 . 1 1 54 54 HIS C C 89 176.530 176.530 177.168 -0.638 17579 6733 1 11 . 1 1 54 54 HIS CA C 89 56.554 56.554 58.634 -2.080 17579 6734 1 11 . 1 1 54 54 HIS CB C 89 33.261 33.261 30.665 2.596 17579 6735 1 11 . 1 1 54 54 HIS H H 89 8.450 8.450 8.053 0.397 17579 6736 1 11 . 1 1 55 55 ILE N N 90 123.909 123.909 121.340 2.569 17579 6737 1 11 . 1 1 55 55 ILE HA H 90 4.583 4.583 3.453 1.130 17579 6738 1 11 . 1 1 55 55 ILE CA C 90 62.230 62.230 67.665 -5.435 17579 6739 1 11 . 1 1 55 55 ILE CB C 90 42.418 42.418 35.761 6.657 17579 6740 1 11 . 1 1 55 55 ILE H H 90 8.142 8.142 8.553 -0.411 17579 6741 1 11 . 1 1 56 56 PRO HA H 91 2.974 2.974 4.251 -1.277 17579 6742 1 11 . 1 1 56 56 PRO C C 91 177.132 177.132 178.602 -1.470 17579 6743 1 11 . 1 1 56 56 PRO CA C 91 66.917 66.917 65.742 1.175 17579 6744 1 11 . 1 1 56 56 PRO CB C 91 31.519 31.519 31.027 0.491 17579 6745 1 11 . 1 1 57 57 VAL N N 92 114.761 114.761 119.588 -4.827 17579 6746 1 11 . 1 1 57 57 VAL HA H 92 3.570 3.570 3.709 -0.139 17579 6747 1 11 . 1 1 57 57 VAL C C 92 177.995 177.995 178.060 -0.065 17579 6748 1 11 . 1 1 57 57 VAL CA C 92 66.358 66.358 66.319 0.039 17579 6749 1 11 . 1 1 57 57 VAL CB C 92 31.694 31.694 31.449 0.245 17579 6750 1 11 . 1 1 57 57 VAL H H 92 6.505 6.505 7.191 -0.686 17579 6751 1 11 . 1 1 58 58 LEU N N 93 120.572 120.572 118.848 1.724 17579 6752 1 11 . 1 1 58 58 LEU HA H 93 4.200 4.200 4.069 0.131 17579 6753 1 11 . 1 1 58 58 LEU C C 93 180.452 180.452 178.803 1.649 17579 6754 1 11 . 1 1 58 58 LEU CA C 93 57.938 57.938 57.952 -0.014 17579 6755 1 11 . 1 1 58 58 LEU CB C 93 43.394 43.394 40.796 2.598 17579 6756 1 11 . 1 1 58 58 LEU H H 93 7.432 7.432 8.297 -0.865 17579 6757 1 11 . 1 1 59 59 CYS N N 94 117.330 117.330 118.692 -1.362 17579 6758 1 11 . 1 1 59 59 CYS HA H 94 3.827 3.827 4.186 -0.359 17579 6759 1 11 . 1 1 59 59 CYS C C 94 177.986 177.986 176.156 1.830 17579 6760 1 11 . 1 1 59 59 CYS CA C 94 65.483 65.483 62.906 2.577 17579 6761 1 11 . 1 1 59 59 CYS CB C 94 26.552 26.552 27.741 -1.188 17579 6762 1 11 . 1 1 59 59 CYS H H 94 8.423 8.423 8.014 0.409 17579 6763 1 11 . 1 1 60 60 GLU N N 95 120.766 120.766 117.218 3.548 17579 6764 1 11 . 1 1 60 60 GLU HA H 95 3.512 3.512 4.198 -0.686 17579 6765 1 11 . 1 1 60 60 GLU C C 95 180.736 180.736 177.722 3.014 17579 6766 1 11 . 1 1 60 60 GLU CA C 95 59.909 59.909 58.533 1.376 17579 6767 1 11 . 1 1 60 60 GLU CB C 95 29.108 29.108 29.322 -0.214 17579 6768 1 11 . 1 1 60 60 GLU H H 95 8.237 8.237 7.901 0.336 17579 6769 1 11 . 1 1 61 61 ASP N N 96 120.591 120.591 118.232 2.359 17579 6770 1 11 . 1 1 61 61 ASP HA H 96 4.311 4.311 4.480 -0.169 17579 6771 1 11 . 1 1 61 61 ASP C C 96 178.004 178.004 177.167 0.837 17579 6772 1 11 . 1 1 61 61 ASP CA C 96 57.549 57.549 56.266 1.283 17579 6773 1 11 . 1 1 61 61 ASP CB C 96 41.083 41.083 41.710 -0.627 17579 6774 1 11 . 1 1 61 61 ASP H H 96 8.345 8.345 7.839 0.506 17579 6775 1 11 . 1 1 62 62 HIS N N 97 115.844 115.844 115.153 0.691 17579 6776 1 11 . 1 1 62 62 HIS HA H 97 4.575 4.575 4.854 -0.279 17579 6777 1 11 . 1 1 62 62 HIS C C 97 173.728 173.728 174.540 -0.812 17579 6778 1 11 . 1 1 62 62 HIS CA C 97 57.418 57.418 56.023 1.395 17579 6779 1 11 . 1 1 62 62 HIS CB C 97 30.067 30.067 32.660 -2.593 17579 6780 1 11 . 1 1 62 62 HIS H H 97 7.663 7.663 7.781 -0.118 17579 6781 1 11 . 1 1 63 63 SER N N 98 114.813 114.813 115.829 -1.016 17579 6782 1 11 . 1 1 63 63 SER HA H 98 4.097 4.097 4.130 -0.033 17579 6783 1 11 . 1 1 63 63 SER C C 98 173.789 173.789 172.607 1.182 17579 6784 1 11 . 1 1 63 63 SER CA C 98 59.255 59.255 59.280 -0.025 17579 6785 1 11 . 1 1 63 63 SER CB C 98 61.602 61.602 62.387 -0.785 17579 6786 1 11 . 1 1 63 63 SER H H 98 7.861 7.861 8.247 -0.386 17579 6787 1 11 . 1 1 64 64 VAL N N 99 123.227 123.227 121.927 1.300 17579 6788 1 11 . 1 1 64 64 VAL HA H 99 4.157 4.157 4.628 -0.471 17579 6789 1 11 . 1 1 64 64 VAL C C 99 174.345 174.345 174.424 -0.079 17579 6790 1 11 . 1 1 64 64 VAL CA C 99 58.923 58.923 58.922 0.001 17579 6791 1 11 . 1 1 64 64 VAL CB C 99 35.133 35.133 35.376 -0.242 17579 6792 1 11 . 1 1 64 64 VAL H H 99 8.603 8.603 8.315 0.288 17579 6793 1 11 . 1 1 65 65 PRO HA H 100 4.260 4.260 4.501 -0.241 17579 6794 1 11 . 1 1 65 65 PRO C C 100 173.335 173.335 175.187 -1.852 17579 6795 1 11 . 1 1 65 65 PRO CA C 100 63.165 63.165 63.030 0.135 17579 6796 1 11 . 1 1 65 65 PRO CB C 100 32.083 32.083 29.766 2.317 17579 6797 1 11 . 1 1 66 66 TYR N N 101 114.840 114.840 124.875 -10.035 17579 6798 1 11 . 1 1 66 66 TYR HA H 101 5.900 5.900 4.741 1.159 17579 6799 1 11 . 1 1 66 66 TYR C C 101 170.503 170.503 173.227 -2.724 17579 6800 1 11 . 1 1 66 66 TYR CA C 101 53.986 53.986 56.789 -2.803 17579 6801 1 11 . 1 1 66 66 TYR CB C 101 41.998 41.998 40.965 1.033 17579 6802 1 11 . 1 1 66 66 TYR H H 101 6.219 6.219 8.004 -1.785 17579 6803 1 11 . 1 1 67 67 ILE N N 102 112.118 112.118 124.792 -12.674 17579 6804 1 11 . 1 1 67 67 ILE HA H 102 4.488 4.488 4.069 0.419 17579 6805 1 11 . 1 1 67 67 ILE C C 102 171.963 171.963 173.087 -1.124 17579 6806 1 11 . 1 1 67 67 ILE CA C 102 55.343 55.343 58.907 -3.564 17579 6807 1 11 . 1 1 67 67 ILE CB C 102 43.317 43.317 42.238 1.079 17579 6808 1 11 . 1 1 67 67 ILE H H 102 7.954 7.954 8.496 -0.542 17579 6809 1 11 . 1 1 68 68 PHE N N 103 122.272 122.272 126.050 -3.778 17579 6810 1 11 . 1 1 68 68 PHE HA H 103 5.945 5.945 5.189 0.756 17579 6811 1 11 . 1 1 68 68 PHE C C 103 176.374 176.374 174.513 1.861 17579 6812 1 11 . 1 1 68 68 PHE CA C 103 56.520 56.520 55.894 0.626 17579 6813 1 11 . 1 1 68 68 PHE CB C 103 40.518 40.518 42.093 -1.575 17579 6814 1 11 . 1 1 68 68 PHE H H 103 8.087 8.087 8.330 -0.243 17579 6815 1 11 . 1 1 69 69 ILE N N 104 114.672 114.672 117.327 -2.655 17579 6816 1 11 . 1 1 69 69 ILE HA H 104 2.991 2.991 4.629 -1.638 17579 6817 1 11 . 1 1 69 69 ILE C C 104 175.387 175.387 173.463 1.924 17579 6818 1 11 . 1 1 69 69 ILE CA C 104 57.903 57.903 58.293 -0.390 17579 6819 1 11 . 1 1 69 69 ILE CB C 104 38.207 38.207 40.135 -1.928 17579 6820 1 11 . 1 1 69 69 ILE H H 104 8.847 8.847 8.229 0.618 17579 6821 1 11 . 1 1 70 70 PRO HA H 105 3.918 3.918 4.464 -0.546 17579 6822 1 11 . 1 1 70 70 PRO C C 105 177.442 177.442 175.998 1.444 17579 6823 1 11 . 1 1 70 70 PRO CA C 105 64.823 64.823 63.105 1.718 17579 6824 1 11 . 1 1 70 70 PRO CB C 105 35.906 35.906 30.290 5.616 17579 6825 1 11 . 1 1 71 71 SER N N 106 113.113 113.113 117.576 -4.463 17579 6826 1 11 . 1 1 71 71 SER HA H 106 4.261 4.261 4.690 -0.429 17579 6827 1 11 . 1 1 71 71 SER C C 106 175.111 175.111 173.965 1.146 17579 6828 1 11 . 1 1 71 71 SER CA C 106 60.111 60.111 58.530 1.581 17579 6829 1 11 . 1 1 71 71 SER CB C 106 63.687 63.687 65.083 -1.396 17579 6830 1 11 . 1 1 71 71 SER H H 106 7.904 7.904 8.184 -0.280 17579 6831 1 11 . 1 1 72 72 LYS N N 107 119.830 119.830 127.498 -7.668 17579 6832 1 11 . 1 1 72 72 LYS HA H 107 4.187 4.187 3.810 0.377 17579 6833 1 11 . 1 1 72 72 LYS CA C 107 58.783 58.783 60.773 -1.990 17579 6834 1 11 . 1 1 72 72 LYS CB C 107 30.951 30.951 32.604 -1.653 17579 6835 1 11 . 1 1 72 72 LYS H H 107 8.314 8.314 8.066 0.248 17579 6836 1 11 . 1 1 73 73 GLN N N 108 123.860 123.860 117.286 6.574 17579 6837 1 11 . 1 1 73 73 GLN HA H 108 4.001 4.001 3.983 0.018 17579 6838 1 11 . 1 1 73 73 GLN CA C 108 58.831 58.831 58.779 0.052 17579 6839 1 11 . 1 1 73 73 GLN CB C 108 28.451 28.451 27.435 1.016 17579 6840 1 11 . 1 1 73 73 GLN H H 108 8.510 8.510 8.753 -0.243 17579 6841 1 11 . 1 1 74 74 ASP N N 109 121.145 121.145 121.975 -0.830 17579 6842 1 11 . 1 1 74 74 ASP HA H 109 4.389 4.389 4.328 0.061 17579 6843 1 11 . 1 1 74 74 ASP C C 109 178.552 178.552 178.582 -0.030 17579 6844 1 11 . 1 1 74 74 ASP H H 109 7.966 7.966 7.721 0.245 17579 6845 1 11 . 1 1 75 75 LEU N N 110 121.098 121.098 121.055 0.043 17579 6846 1 11 . 1 1 75 75 LEU HA H 110 3.955 3.955 3.974 -0.019 17579 6847 1 11 . 1 1 75 75 LEU C C 110 178.953 178.953 179.008 -0.055 17579 6848 1 11 . 1 1 75 75 LEU CA C 110 56.538 56.538 58.062 -1.524 17579 6849 1 11 . 1 1 75 75 LEU CB C 110 40.845 40.845 41.315 -0.470 17579 6850 1 11 . 1 1 75 75 LEU H H 110 7.932 7.932 8.193 -0.261 17579 6851 1 11 . 1 1 76 76 GLY N N 111 105.659 105.659 106.014 -0.355 17579 6852 1 11 . 1 1 76 76 GLY C C 111 175.510 175.510 175.677 -0.167 17579 6853 1 11 . 1 1 76 76 GLY CA C 111 47.037 47.037 47.235 -0.198 17579 6854 1 11 . 1 1 76 76 GLY H H 111 8.006 8.006 8.527 -0.521 17579 6855 1 11 . 1 1 77 77 ALA N N 112 122.987 122.987 124.312 -1.325 17579 6856 1 11 . 1 1 77 77 ALA HA H 112 4.112 4.112 4.105 0.007 17579 6857 1 11 . 1 1 77 77 ALA C C 112 179.350 179.350 179.596 -0.246 17579 6858 1 11 . 1 1 77 77 ALA CA C 112 53.930 53.930 54.660 -0.730 17579 6859 1 11 . 1 1 77 77 ALA CB C 112 18.727 18.727 18.229 0.498 17579 6860 1 11 . 1 1 77 77 ALA H H 112 7.824 7.824 7.851 -0.027 17579 6861 1 11 . 1 1 78 78 ALA N N 113 121.466 121.466 121.079 0.387 17579 6862 1 11 . 1 1 78 78 ALA HA H 113 4.189 4.189 3.974 0.215 17579 6863 1 11 . 1 1 78 78 ALA C C 113 177.368 177.368 179.221 -1.853 17579 6864 1 11 . 1 1 78 78 ALA CA C 113 53.750 53.750 54.819 -1.069 17579 6865 1 11 . 1 1 78 78 ALA CB C 113 19.231 19.231 18.842 0.389 17579 6866 1 11 . 1 1 78 78 ALA H H 113 7.785 7.785 7.907 -0.122 17579 6867 1 11 . 1 1 79 79 GLY N N 114 104.016 104.016 104.894 -0.878 17579 6868 1 11 . 1 1 79 79 GLY CA C 114 45.256 45.256 45.657 -0.401 17579 6869 1 11 . 1 1 79 79 GLY H H 114 7.742 7.742 8.162 -0.420 17579 6870 1 11 . 1 1 80 80 ALA HA H 115 4.100 4.100 4.599 -0.499 17579 6871 1 11 . 1 1 80 80 ALA C C 115 176.526 176.526 176.574 -0.048 17579 6872 1 11 . 1 1 80 80 ALA CA C 115 53.482 53.482 52.057 1.425 17579 6873 1 11 . 1 1 80 80 ALA CB C 115 19.825 19.825 19.415 0.410 17579 6874 1 11 . 1 1 81 81 THR N N 116 116.236 116.236 118.143 -1.907 17579 6875 1 11 . 1 1 81 81 THR HA H 116 4.718 4.718 3.901 0.817 17579 6876 1 11 . 1 1 81 81 THR CA C 116 57.275 57.275 64.606 -7.331 17579 6877 1 11 . 1 1 81 81 THR CB C 116 64.878 64.878 68.812 -3.934 17579 6878 1 11 . 1 1 81 81 THR H H 116 8.068 8.068 8.691 -0.623 17579 6879 1 11 . 1 1 84 84 PRO HA H 119 4.072 4.072 4.546 -0.474 17579 6880 1 11 . 1 1 84 84 PRO CB C 119 32.154 32.154 32.742 -0.588 17579 6881 1 11 . 1 1 85 85 THR N N 120 119.680 119.680 112.550 7.130 17579 6882 1 11 . 1 1 85 85 THR C C 120 175.333 175.333 173.766 1.567 17579 6883 1 11 . 1 1 85 85 THR CB C 120 71.769 71.769 72.238 -0.469 17579 6884 1 11 . 1 1 85 85 THR H H 120 8.002 8.002 7.971 0.031 17579 6885 1 11 . 1 1 86 86 SER N N 121 115.589 115.589 115.514 0.075 17579 6886 1 11 . 1 1 86 86 SER HA H 121 4.325 4.325 4.563 -0.238 17579 6887 1 11 . 1 1 86 86 SER C C 121 172.929 172.929 173.619 -0.690 17579 6888 1 11 . 1 1 86 86 SER CA C 121 59.722 59.722 58.844 0.878 17579 6889 1 11 . 1 1 86 86 SER CB C 121 64.608 64.608 64.285 0.323 17579 6890 1 11 . 1 1 86 86 SER H H 121 7.335 7.335 8.492 -1.157 17579 6891 1 11 . 1 1 87 87 VAL N N 122 116.044 116.044 119.848 -3.804 17579 6892 1 11 . 1 1 87 87 VAL HA H 122 5.200 5.200 4.634 0.566 17579 6893 1 11 . 1 1 87 87 VAL C C 122 172.465 172.465 174.441 -1.976 17579 6894 1 11 . 1 1 87 87 VAL CA C 122 59.819 59.819 60.622 -0.803 17579 6895 1 11 . 1 1 87 87 VAL CB C 122 33.368 33.368 32.556 0.812 17579 6896 1 11 . 1 1 87 87 VAL H H 122 7.152 7.152 7.586 -0.434 17579 6897 1 11 . 1 1 88 88 VAL N N 123 119.350 119.350 124.544 -5.194 17579 6898 1 11 . 1 1 88 88 VAL HA H 123 5.091 5.091 4.532 0.559 17579 6899 1 11 . 1 1 88 88 VAL C C 123 173.214 173.214 174.017 -0.803 17579 6900 1 11 . 1 1 88 88 VAL CA C 123 59.219 59.219 60.938 -1.719 17579 6901 1 11 . 1 1 88 88 VAL CB C 123 36.362 36.362 36.416 -0.055 17579 6902 1 11 . 1 1 88 88 VAL H H 123 8.851 8.851 8.568 0.283 17579 6903 1 11 . 1 1 89 89 PHE N N 124 122.568 122.568 125.213 -2.645 17579 6904 1 11 . 1 1 89 89 PHE HA H 124 5.613 5.613 5.241 0.372 17579 6905 1 11 . 1 1 89 89 PHE C C 124 174.887 174.887 175.038 -0.151 17579 6906 1 11 . 1 1 89 89 PHE CA C 124 52.961 52.961 56.186 -3.225 17579 6907 1 11 . 1 1 89 89 PHE CB C 124 42.788 42.788 42.101 0.687 17579 6908 1 11 . 1 1 89 89 PHE H H 124 9.051 9.051 9.189 -0.138 17579 6909 1 11 . 1 1 90 90 ILE N N 125 127.707 127.707 127.571 0.136 17579 6910 1 11 . 1 1 90 90 ILE HA H 125 4.264 4.264 4.264 -0.000 17579 6911 1 11 . 1 1 90 90 ILE C C 125 173.870 173.870 175.683 -1.813 17579 6912 1 11 . 1 1 90 90 ILE CA C 125 61.789 61.789 60.071 1.718 17579 6913 1 11 . 1 1 90 90 ILE CB C 125 39.785 39.785 37.745 2.039 17579 6914 1 11 . 1 1 90 90 ILE H H 125 9.477 9.477 9.380 0.097 17579 6915 1 11 . 1 1 91 91 VAL N N 126 126.579 126.579 120.925 5.654 17579 6916 1 11 . 1 1 91 91 VAL HA H 126 4.566 4.566 4.934 -0.368 17579 6917 1 11 . 1 1 91 91 VAL C C 126 173.829 173.829 173.653 0.176 17579 6918 1 11 . 1 1 91 91 VAL CA C 126 58.701 58.701 58.287 0.414 17579 6919 1 11 . 1 1 91 91 VAL CB C 126 32.989 32.989 34.278 -1.288 17579 6920 1 11 . 1 1 91 91 VAL H H 126 8.149 8.149 8.963 -0.814 17579 6921 1 11 . 1 1 92 92 PRO HA H 127 4.035 4.035 4.512 -0.477 17579 6922 1 11 . 1 1 92 92 PRO C C 127 177.766 177.766 176.347 1.419 17579 6923 1 11 . 1 1 92 92 PRO CA C 127 63.684 63.684 62.643 1.041 17579 6924 1 11 . 1 1 92 92 PRO CB C 127 32.178 32.178 32.818 -0.640 17579 6925 1 11 . 1 1 93 93 GLY N N 128 108.618 108.618 111.077 -2.459 17579 6926 1 11 . 1 1 93 93 GLY CA C 128 45.787 45.787 45.632 0.155 17579 6927 1 11 . 1 1 93 93 GLY H H 128 7.970 7.970 8.543 -0.573 17579 6928 1 11 . 1 1 94 94 SER N N 129 113.620 113.620 112.791 0.829 17579 6929 1 11 . 1 1 94 94 SER HA H 129 4.317 4.317 4.615 -0.298 17579 6930 1 11 . 1 1 94 94 SER C C 129 180.379 180.379 173.947 6.432 17579 6931 1 11 . 1 1 94 94 SER CA C 129 58.566 58.566 57.013 1.554 17579 6932 1 11 . 1 1 94 94 SER H H 129 7.952 7.952 7.575 0.377 17579 6933 1 11 . 1 1 95 95 ASN N N 130 120.775 120.775 120.189 0.586 17579 6934 1 11 . 1 1 95 95 ASN HA H 130 3.964 3.964 4.731 -0.767 17579 6935 1 11 . 1 1 95 95 ASN C C 130 178.664 178.664 177.107 1.557 17579 6936 1 11 . 1 1 95 95 ASN CA C 130 57.689 57.689 55.353 2.336 17579 6937 1 11 . 1 1 95 95 ASN CB C 130 42.288 42.288 38.480 3.808 17579 6938 1 11 . 1 1 95 95 ASN H H 130 8.300 8.300 8.630 -0.330 17579 6939 1 11 . 1 1 96 96 LYS N N 131 119.316 119.316 119.586 -0.270 17579 6940 1 11 . 1 1 96 96 LYS HA H 131 4.095 4.095 4.107 -0.012 17579 6941 1 11 . 1 1 96 96 LYS C C 131 178.290 178.290 178.371 -0.081 17579 6942 1 11 . 1 1 96 96 LYS CA C 131 59.062 59.062 59.221 -0.159 17579 6943 1 11 . 1 1 96 96 LYS CB C 131 29.745 29.745 31.926 -2.181 17579 6944 1 11 . 1 1 96 96 LYS H H 131 7.896 7.896 8.461 -0.565 17579 6945 1 11 . 1 1 97 97 LYS N N 132 117.523 117.523 119.597 -2.074 17579 6946 1 11 . 1 1 97 97 LYS C C 132 176.927 176.927 178.980 -2.053 17579 6947 1 11 . 1 1 97 97 LYS CA C 132 58.555 58.555 58.457 0.098 17579 6948 1 11 . 1 1 97 97 LYS CB C 132 30.578 30.578 31.575 -0.997 17579 6949 1 11 . 1 1 97 97 LYS H H 132 7.791 7.791 8.387 -0.596 17579 6950 1 11 . 1 1 98 98 LYS HA H 133 4.236 4.236 4.095 0.141 17579 6951 1 11 . 1 1 98 98 LYS C C 133 176.606 176.606 178.603 -1.997 17579 6952 1 11 . 1 1 98 98 LYS CA C 133 57.225 57.225 58.656 -1.431 17579 6953 1 11 . 1 1 98 98 LYS CB C 133 33.151 33.151 31.745 1.406 17579 6954 1 11 . 1 1 99 99 ASP N N 134 120.311 120.311 117.669 2.642 17579 6955 1 11 . 1 1 99 99 ASP HA H 134 4.584 4.584 4.539 0.045 17579 6956 1 11 . 1 1 99 99 ASP C C 134 176.899 176.899 176.432 0.467 17579 6957 1 11 . 1 1 99 99 ASP CA C 134 54.402 54.402 54.131 0.271 17579 6958 1 11 . 1 1 99 99 ASP CB C 134 41.568 41.568 41.777 -0.209 17579 6959 1 11 . 1 1 99 99 ASP H H 134 8.267 8.267 7.651 0.616 17579 6960 1 11 . 1 1 100 100 GLY N N 135 108.751 108.751 105.927 2.824 17579 6961 1 11 . 1 1 100 100 GLY C C 135 174.683 174.683 173.615 1.068 17579 6962 1 11 . 1 1 100 100 GLY CA C 135 45.985 45.985 44.977 1.008 17579 6963 1 11 . 1 1 100 100 GLY H H 135 8.235 8.235 7.691 0.544 17579 6964 1 11 . 1 1 101 101 LYS N N 136 120.306 120.306 122.649 -2.343 17579 6965 1 11 . 1 1 101 101 LYS HA H 136 4.279 4.279 4.497 -0.218 17579 6966 1 11 . 1 1 101 101 LYS C C 136 175.145 175.145 176.703 -1.558 17579 6967 1 11 . 1 1 101 101 LYS CA C 136 56.875 56.875 56.722 0.153 17579 6968 1 11 . 1 1 101 101 LYS CB C 136 32.987 32.987 33.672 -0.685 17579 6969 1 11 . 1 1 101 101 LYS H H 136 8.148 8.148 8.467 -0.319 17579 6970 1 11 . 1 1 102 102 ASN N N 137 118.958 118.958 116.741 2.217 17579 6971 1 11 . 1 1 102 102 ASN HA H 137 4.707 4.707 4.795 -0.088 17579 6972 1 11 . 1 1 102 102 ASN C C 137 175.849 175.849 175.549 0.300 17579 6973 1 11 . 1 1 102 102 ASN CA C 137 53.816 53.816 54.103 -0.287 17579 6974 1 11 . 1 1 102 102 ASN CB C 137 39.070 39.070 39.341 -0.271 17579 6975 1 11 . 1 1 102 102 ASN H H 137 8.406 8.406 8.132 0.274 17579 6976 1 11 . 1 1 103 103 LYS N N 138 121.782 121.782 117.913 3.869 17579 6977 1 11 . 1 1 103 103 LYS HA H 138 4.255 4.255 4.579 -0.324 17579 6978 1 11 . 1 1 103 103 LYS CA C 138 56.641 56.641 57.214 -0.573 17579 6979 1 11 . 1 1 103 103 LYS CB C 138 32.911 32.911 33.105 -0.194 17579 6980 1 11 . 1 1 103 103 LYS H H 138 8.316 8.316 8.131 0.185 17579 6981 1 11 . 1 1 104 104 GLU N N 139 121.053 121.053 121.855 -0.802 17579 6982 1 11 . 1 1 104 104 GLU CA C 139 57.449 57.449 59.467 -2.018 17579 6983 1 11 . 1 1 104 104 GLU CB C 139 29.983 29.983 29.071 0.912 17579 6984 1 11 . 1 1 104 104 GLU H H 139 8.459 8.459 8.968 -0.509 17579 6985 1 11 . 1 1 106 106 GLU N N 141 122.191 122.191 119.090 3.101 17579 6986 1 11 . 1 1 106 106 GLU HA H 141 4.268 4.268 4.050 0.218 17579 6987 1 11 . 1 1 106 106 GLU CA C 141 64.025 64.025 58.855 5.170 17579 6988 1 11 . 1 1 106 106 GLU CB C 141 32.117 32.117 29.133 2.984 17579 6989 1 11 . 1 1 106 106 GLU H H 141 8.291 8.291 8.428 -0.137 17579 6990 1 11 . 1 1 107 107 TYR N N 142 115.802 115.802 122.824 -7.022 17579 6991 1 11 . 1 1 107 107 TYR HA H 142 4.996 4.996 4.037 0.959 17579 6992 1 11 . 1 1 107 107 TYR C C 142 175.381 175.381 177.616 -2.235 17579 6993 1 11 . 1 1 107 107 TYR CA C 142 57.581 57.581 60.861 -3.280 17579 6994 1 11 . 1 1 107 107 TYR CB C 142 39.533 39.533 38.339 1.194 17579 6995 1 11 . 1 1 107 107 TYR H H 142 7.344 7.344 8.844 -1.500 17579 6996 1 11 . 1 1 108 108 LYS N N 143 123.473 123.473 118.672 4.801 17579 6997 1 11 . 1 1 108 108 LYS HA H 143 3.628 3.628 3.399 0.229 17579 6998 1 11 . 1 1 108 108 LYS C C 143 177.659 177.659 178.837 -1.178 17579 6999 1 11 . 1 1 108 108 LYS CA C 143 59.988 59.988 59.254 0.734 17579 7000 1 11 . 1 1 108 108 LYS CB C 143 32.294 32.294 31.963 0.331 17579 7001 1 11 . 1 1 108 108 LYS H H 143 7.376 7.376 7.955 -0.579 17579 7002 1 11 . 1 1 109 109 GLU N N 144 118.799 118.799 119.093 -0.294 17579 7003 1 11 . 1 1 109 109 GLU HA H 144 4.048 4.048 3.947 0.101 17579 7004 1 11 . 1 1 109 109 GLU C C 144 179.583 179.583 179.113 0.470 17579 7005 1 11 . 1 1 109 109 GLU CA C 144 60.200 60.200 59.623 0.577 17579 7006 1 11 . 1 1 109 109 GLU CB C 144 29.237 29.237 29.393 -0.156 17579 7007 1 11 . 1 1 109 109 GLU H H 144 8.558 8.558 8.171 0.387 17579 7008 1 11 . 1 1 110 110 SER N N 145 116.121 116.121 114.407 1.714 17579 7009 1 11 . 1 1 110 110 SER HA H 145 4.319 4.319 4.414 -0.095 17579 7010 1 11 . 1 1 110 110 SER C C 145 176.522 176.522 176.669 -0.147 17579 7011 1 11 . 1 1 110 110 SER CA C 145 61.990 61.990 61.177 0.813 17579 7012 1 11 . 1 1 110 110 SER CB C 145 63.293 63.293 63.097 0.196 17579 7013 1 11 . 1 1 110 110 SER H H 145 8.094 8.094 7.998 0.096 17579 7014 1 11 . 1 1 111 111 PHE N N 146 122.311 122.311 123.744 -1.433 17579 7015 1 11 . 1 1 111 111 PHE HA H 146 4.021 4.021 4.136 -0.115 17579 7016 1 11 . 1 1 111 111 PHE C C 146 176.001 176.001 176.652 -0.651 17579 7017 1 11 . 1 1 111 111 PHE CA C 146 62.504 62.504 61.696 0.808 17579 7018 1 11 . 1 1 111 111 PHE CB C 146 39.861 39.861 38.806 1.055 17579 7019 1 11 . 1 1 111 111 PHE H H 146 8.536 8.536 8.192 0.344 17579 7020 1 11 . 1 1 112 112 ASN N N 147 117.908 117.908 117.141 0.767 17579 7021 1 11 . 1 1 112 112 ASN HA H 147 4.252 4.252 4.212 0.040 17579 7022 1 11 . 1 1 112 112 ASN C C 147 178.315 178.315 177.496 0.819 17579 7023 1 11 . 1 1 112 112 ASN CA C 147 56.226 56.226 56.465 -0.239 17579 7024 1 11 . 1 1 112 112 ASN CB C 147 37.990 37.990 38.474 -0.484 17579 7025 1 11 . 1 1 112 112 ASN H H 147 8.795 8.795 8.769 0.026 17579 7026 1 11 . 1 1 113 113 GLU N N 148 119.868 119.868 120.162 -0.294 17579 7027 1 11 . 1 1 113 113 GLU HA H 148 4.024 4.024 3.958 0.066 17579 7028 1 11 . 1 1 113 113 GLU C C 148 179.410 179.410 178.840 0.570 17579 7029 1 11 . 1 1 113 113 GLU CA C 148 59.710 59.710 59.441 0.269 17579 7030 1 11 . 1 1 113 113 GLU CB C 148 30.063 30.063 29.857 0.206 17579 7031 1 11 . 1 1 113 113 GLU H H 148 7.764 7.764 7.918 -0.154 17579 7032 1 11 . 1 1 114 114 VAL N N 149 119.684 119.684 117.386 2.298 17579 7033 1 11 . 1 1 114 114 VAL HA H 149 3.544 3.544 3.714 -0.170 17579 7034 1 11 . 1 1 114 114 VAL C C 149 177.613 177.613 178.082 -0.469 17579 7035 1 11 . 1 1 114 114 VAL CA C 149 66.977 66.977 66.242 0.735 17579 7036 1 11 . 1 1 114 114 VAL CB C 149 30.605 30.605 31.372 -0.767 17579 7037 1 11 . 1 1 114 114 VAL H H 149 7.973 7.973 7.958 0.015 17579 7038 1 11 . 1 1 115 115 VAL N N 150 119.782 119.782 121.251 -1.469 17579 7039 1 11 . 1 1 115 115 VAL HA H 150 3.164 3.164 3.546 -0.382 17579 7040 1 11 . 1 1 115 115 VAL C C 150 177.499 177.499 178.229 -0.730 17579 7041 1 11 . 1 1 115 115 VAL CA C 150 68.301 68.301 66.112 2.188 17579 7042 1 11 . 1 1 115 115 VAL CB C 150 31.483 31.483 30.549 0.933 17579 7043 1 11 . 1 1 115 115 VAL H H 150 8.452 8.452 8.297 0.155 17579 7044 1 11 . 1 1 116 116 LYS N N 151 118.842 118.842 119.585 -0.743 17579 7045 1 11 . 1 1 116 116 LYS HA H 151 4.024 4.024 4.016 0.008 17579 7046 1 11 . 1 1 116 116 LYS C C 151 179.862 179.862 179.007 0.855 17579 7047 1 11 . 1 1 116 116 LYS CA C 151 59.947 59.947 59.137 0.810 17579 7048 1 11 . 1 1 116 116 LYS CB C 151 32.481 32.481 32.144 0.337 17579 7049 1 11 . 1 1 116 116 LYS H H 151 7.595 7.595 7.898 -0.303 17579 7050 1 11 . 1 1 117 117 GLU N N 152 120.243 120.243 119.894 0.349 17579 7051 1 11 . 1 1 117 117 GLU HA H 152 4.052 4.052 4.135 -0.083 17579 7052 1 11 . 1 1 117 117 GLU C C 152 179.528 179.528 178.513 1.015 17579 7053 1 11 . 1 1 117 117 GLU CA C 152 60.178 60.178 58.904 1.274 17579 7054 1 11 . 1 1 117 117 GLU CB C 152 29.949 29.949 29.326 0.623 17579 7055 1 11 . 1 1 117 117 GLU H H 152 7.513 7.513 8.014 -0.501 17579 7056 1 11 . 1 1 118 118 VAL N N 153 120.596 120.596 118.136 2.460 17579 7057 1 11 . 1 1 118 118 VAL HA H 153 3.464 3.464 3.848 -0.384 17579 7058 1 11 . 1 1 118 118 VAL C C 153 177.984 177.984 177.232 0.752 17579 7059 1 11 . 1 1 118 118 VAL CA C 153 68.047 68.047 64.783 3.264 17579 7060 1 11 . 1 1 118 118 VAL CB C 153 32.056 32.056 32.050 0.006 17579 7061 1 11 . 1 1 118 118 VAL H H 153 8.649 8.649 7.836 0.813 17579 7062 1 11 . 1 1 119 119 GLN N N 154 118.317 118.317 118.390 -0.073 17579 7063 1 11 . 1 1 119 119 GLN HA H 154 3.986 3.986 4.164 -0.178 17579 7064 1 11 . 1 1 119 119 GLN C C 154 178.984 178.984 176.985 1.999 17579 7065 1 11 . 1 1 119 119 GLN CA C 154 59.716 59.716 58.034 1.682 17579 7066 1 11 . 1 1 119 119 GLN CB C 154 28.261 28.261 29.216 -0.955 17579 7067 1 11 . 1 1 119 119 GLN H H 154 8.947 8.947 7.754 1.193 17579 7068 1 11 . 1 1 120 120 ALA N N 155 120.688 120.688 120.811 -0.123 17579 7069 1 11 . 1 1 120 120 ALA HA H 155 3.484 3.484 4.221 -0.737 17579 7070 1 11 . 1 1 120 120 ALA C C 155 180.759 180.759 177.448 3.311 17579 7071 1 11 . 1 1 120 120 ALA CA C 155 55.257 55.257 52.715 2.542 17579 7072 1 11 . 1 1 120 120 ALA CB C 155 18.446 18.446 20.455 -2.009 17579 7073 1 11 . 1 1 120 120 ALA H H 155 7.494 7.494 7.828 -0.334 17579 7074 1 12 . 1 1 2 2 LYS N N 37 124.936 124.936 123.140 1.796 17579 7075 1 12 . 1 1 2 2 LYS HA H 37 4.053 4.053 4.037 0.016 17579 7076 1 12 . 1 1 2 2 LYS C C 37 172.929 172.929 178.049 -5.120 17579 7077 1 12 . 1 1 2 2 LYS CA C 37 60.975 60.975 59.063 1.912 17579 7078 1 12 . 1 1 2 2 LYS CB C 37 32.607 32.607 31.838 0.769 17579 7079 1 12 . 1 1 2 2 LYS H H 37 7.564 7.564 8.681 -1.117 17579 7080 1 12 . 1 1 3 3 LYS N N 38 118.300 118.300 118.682 -0.382 17579 7081 1 12 . 1 1 3 3 LYS HA H 38 4.045 4.045 4.035 0.010 17579 7082 1 12 . 1 1 3 3 LYS C C 38 179.361 179.361 178.674 0.687 17579 7083 1 12 . 1 1 3 3 LYS CA C 38 59.930 59.930 58.724 1.206 17579 7084 1 12 . 1 1 3 3 LYS CB C 38 32.885 32.885 31.742 1.143 17579 7085 1 12 . 1 1 3 3 LYS H H 38 8.234 8.234 8.267 -0.033 17579 7086 1 12 . 1 1 4 4 LEU N N 39 122.081 122.081 121.701 0.380 17579 7087 1 12 . 1 1 4 4 LEU HA H 39 4.135 4.135 3.871 0.264 17579 7088 1 12 . 1 1 4 4 LEU C C 39 178.433 178.433 178.244 0.189 17579 7089 1 12 . 1 1 4 4 LEU CA C 39 57.726 57.726 57.931 -0.205 17579 7090 1 12 . 1 1 4 4 LEU CB C 39 40.588 40.588 41.622 -1.034 17579 7091 1 12 . 1 1 4 4 LEU H H 39 7.856 7.856 7.567 0.289 17579 7092 1 12 . 1 1 5 5 ASN N N 40 118.758 118.758 117.120 1.638 17579 7093 1 12 . 1 1 5 5 ASN HA H 40 3.994 3.994 4.182 -0.188 17579 7094 1 12 . 1 1 5 5 ASN C C 40 176.246 176.246 177.235 -0.989 17579 7095 1 12 . 1 1 5 5 ASN CA C 40 57.843 57.843 56.560 1.283 17579 7096 1 12 . 1 1 5 5 ASN CB C 40 40.430 40.430 38.269 2.162 17579 7097 1 12 . 1 1 5 5 ASN H H 40 9.241 9.241 7.906 1.335 17579 7098 1 12 . 1 1 6 6 LYS N N 41 115.665 115.665 120.305 -4.640 17579 7099 1 12 . 1 1 6 6 LYS HA H 41 3.929 3.929 3.898 0.031 17579 7100 1 12 . 1 1 6 6 LYS C C 41 179.318 179.318 179.130 0.188 17579 7101 1 12 . 1 1 6 6 LYS CA C 41 60.130 60.130 59.751 0.379 17579 7102 1 12 . 1 1 6 6 LYS CB C 41 32.580 32.580 32.300 0.280 17579 7103 1 12 . 1 1 6 6 LYS H H 41 7.239 7.239 8.041 -0.802 17579 7104 1 12 . 1 1 7 7 LYS N N 42 119.038 119.038 118.401 0.637 17579 7105 1 12 . 1 1 7 7 LYS HA H 42 4.037 4.037 4.009 0.028 17579 7106 1 12 . 1 1 7 7 LYS C C 42 180.428 180.428 179.022 1.406 17579 7107 1 12 . 1 1 7 7 LYS CA C 42 60.178 60.178 59.351 0.827 17579 7108 1 12 . 1 1 7 7 LYS CB C 42 33.670 33.670 32.239 1.431 17579 7109 1 12 . 1 1 7 7 LYS H H 42 7.358 7.358 7.839 -0.481 17579 7110 1 12 . 1 1 8 8 VAL N N 43 122.489 122.489 120.115 2.374 17579 7111 1 12 . 1 1 8 8 VAL HA H 43 3.263 3.263 3.618 -0.355 17579 7112 1 12 . 1 1 8 8 VAL C C 43 177.823 177.823 178.390 -0.567 17579 7113 1 12 . 1 1 8 8 VAL CA C 43 67.836 67.836 67.032 0.804 17579 7114 1 12 . 1 1 8 8 VAL CB C 43 31.523 31.523 31.639 -0.116 17579 7115 1 12 . 1 1 8 8 VAL H H 43 9.167 9.167 8.043 1.124 17579 7116 1 12 . 1 1 9 9 LEU N N 44 119.740 119.740 119.079 0.661 17579 7117 1 12 . 1 1 9 9 LEU HA H 44 3.964 3.964 3.787 0.177 17579 7118 1 12 . 1 1 9 9 LEU C C 44 179.700 179.700 179.249 0.451 17579 7119 1 12 . 1 1 9 9 LEU CA C 44 58.742 58.742 58.479 0.263 17579 7120 1 12 . 1 1 9 9 LEU CB C 44 41.239 41.239 40.834 0.405 17579 7121 1 12 . 1 1 9 9 LEU H H 44 8.437 8.437 8.566 -0.129 17579 7122 1 12 . 1 1 10 10 LYS N N 45 119.832 119.832 118.505 1.327 17579 7123 1 12 . 1 1 10 10 LYS HA H 45 4.013 4.013 4.071 -0.058 17579 7124 1 12 . 1 1 10 10 LYS C C 45 178.847 178.847 179.553 -0.706 17579 7125 1 12 . 1 1 10 10 LYS CA C 45 60.146 60.146 59.198 0.948 17579 7126 1 12 . 1 1 10 10 LYS CB C 45 32.583 32.583 31.844 0.739 17579 7127 1 12 . 1 1 10 10 LYS H H 45 7.857 7.857 8.276 -0.419 17579 7128 1 12 . 1 1 11 11 THR N N 46 116.695 116.695 117.333 -0.638 17579 7129 1 12 . 1 1 11 11 THR HA H 46 4.327 4.327 4.140 0.187 17579 7130 1 12 . 1 1 11 11 THR C C 46 176.211 176.211 176.425 -0.214 17579 7131 1 12 . 1 1 11 11 THR CA C 46 68.237 68.237 67.369 0.868 17579 7132 1 12 . 1 1 11 11 THR CB C 46 68.312 68.312 68.929 -0.617 17579 7133 1 12 . 1 1 11 11 THR H H 46 7.796 7.796 8.169 -0.373 17579 7134 1 12 . 1 1 12 12 VAL N N 47 122.013 122.013 121.731 0.282 17579 7135 1 12 . 1 1 12 12 VAL HA H 47 3.235 3.235 3.952 -0.717 17579 7136 1 12 . 1 1 12 12 VAL C C 47 177.909 177.909 177.063 0.846 17579 7137 1 12 . 1 1 12 12 VAL CA C 47 67.838 67.838 65.356 2.482 17579 7138 1 12 . 1 1 12 12 VAL CB C 47 31.706 31.706 31.564 0.142 17579 7139 1 12 . 1 1 12 12 VAL H H 47 8.762 8.762 8.414 0.348 17579 7140 1 12 . 1 1 13 13 LYS N N 48 118.035 118.035 119.334 -1.299 17579 7141 1 12 . 1 1 13 13 LYS HA H 48 3.828 3.828 4.008 -0.180 17579 7142 1 12 . 1 1 13 13 LYS CA C 48 59.960 59.960 59.573 0.387 17579 7143 1 12 . 1 1 13 13 LYS CB C 48 32.837 32.837 32.245 0.592 17579 7144 1 12 . 1 1 13 13 LYS H H 48 7.492 7.492 8.424 -0.932 17579 7145 1 12 . 1 1 14 14 LYS N N 49 120.565 120.565 118.014 2.551 17579 7146 1 12 . 1 1 14 14 LYS HA H 49 3.952 3.952 4.173 -0.221 17579 7147 1 12 . 1 1 14 14 LYS C C 49 179.608 179.608 178.818 0.790 17579 7148 1 12 . 1 1 14 14 LYS CA C 49 59.950 59.950 58.236 1.714 17579 7149 1 12 . 1 1 14 14 LYS CB C 49 33.723 33.723 32.545 1.178 17579 7150 1 12 . 1 1 14 14 LYS H H 49 7.498 7.498 7.864 -0.366 17579 7151 1 12 . 1 1 15 15 ALA N N 50 122.192 122.192 121.783 0.409 17579 7152 1 12 . 1 1 15 15 ALA HA H 50 3.467 3.467 3.976 -0.509 17579 7153 1 12 . 1 1 15 15 ALA C C 50 179.970 179.970 179.094 0.876 17579 7154 1 12 . 1 1 15 15 ALA CA C 50 54.950 54.950 54.086 0.865 17579 7155 1 12 . 1 1 15 15 ALA CB C 50 19.270 19.270 17.832 1.438 17579 7156 1 12 . 1 1 15 15 ALA H H 50 8.529 8.529 7.957 0.572 17579 7157 1 12 . 1 1 16 16 SER N N 51 116.624 116.624 114.120 2.504 17579 7158 1 12 . 1 1 16 16 SER HA H 51 4.696 4.696 4.131 0.565 17579 7159 1 12 . 1 1 16 16 SER C C 51 178.705 178.705 176.392 2.313 17579 7160 1 12 . 1 1 16 16 SER CA C 51 62.206 62.206 61.827 0.379 17579 7161 1 12 . 1 1 16 16 SER CB C 51 62.918 62.918 63.035 -0.117 17579 7162 1 12 . 1 1 16 16 SER H H 51 8.542 8.542 8.115 0.427 17579 7163 1 12 . 1 1 17 17 LYS N N 52 124.866 124.866 119.902 4.964 17579 7164 1 12 . 1 1 17 17 LYS HA H 52 4.051 4.051 4.166 -0.115 17579 7165 1 12 . 1 1 17 17 LYS C C 52 177.563 177.563 177.326 0.237 17579 7166 1 12 . 1 1 17 17 LYS CA C 52 59.290 59.290 57.734 1.556 17579 7167 1 12 . 1 1 17 17 LYS CB C 52 32.104 32.104 32.410 -0.306 17579 7168 1 12 . 1 1 17 17 LYS H H 52 7.553 7.553 7.639 -0.086 17579 7169 1 12 . 1 1 18 18 ALA N N 53 118.801 118.801 118.797 0.004 17579 7170 1 12 . 1 1 18 18 ALA HA H 53 4.280 4.280 4.277 0.003 17579 7171 1 12 . 1 1 18 18 ALA C C 53 175.253 175.253 176.711 -1.458 17579 7172 1 12 . 1 1 18 18 ALA CA C 53 52.222 52.222 51.846 0.376 17579 7173 1 12 . 1 1 18 18 ALA CB C 53 19.566 19.566 18.536 1.030 17579 7174 1 12 . 1 1 18 18 ALA H H 53 7.092 7.092 7.376 -0.284 17579 7175 1 12 . 1 1 19 19 LYS N N 54 112.119 112.119 115.908 -3.789 17579 7176 1 12 . 1 1 19 19 LYS HA H 54 4.027 4.027 3.928 0.099 17579 7177 1 12 . 1 1 19 19 LYS C C 54 177.191 177.191 175.456 1.735 17579 7178 1 12 . 1 1 19 19 LYS CA C 54 57.435 57.435 57.332 0.103 17579 7179 1 12 . 1 1 19 19 LYS CB C 54 28.420 28.420 30.422 -2.002 17579 7180 1 12 . 1 1 19 19 LYS H H 54 7.644 7.644 7.446 0.198 17579 7181 1 12 . 1 1 20 20 ASN N N 55 116.236 116.236 114.761 1.475 17579 7182 1 12 . 1 1 20 20 ASN HA H 55 5.090 5.090 4.878 0.212 17579 7183 1 12 . 1 1 20 20 ASN C C 55 173.176 173.176 174.224 -1.048 17579 7184 1 12 . 1 1 20 20 ASN CA C 55 51.617 51.617 53.497 -1.880 17579 7185 1 12 . 1 1 20 20 ASN CB C 55 40.642 40.642 40.045 0.597 17579 7186 1 12 . 1 1 20 20 ASN H H 55 8.099 8.099 7.913 0.186 17579 7187 1 12 . 1 1 21 21 VAL N N 56 115.268 115.268 117.390 -2.122 17579 7188 1 12 . 1 1 21 21 VAL HA H 56 4.864 4.864 4.283 0.581 17579 7189 1 12 . 1 1 21 21 VAL C C 56 175.526 175.526 175.006 0.520 17579 7190 1 12 . 1 1 21 21 VAL CA C 56 61.314 61.314 61.162 0.152 17579 7191 1 12 . 1 1 21 21 VAL CB C 56 35.532 35.532 32.808 2.724 17579 7192 1 12 . 1 1 21 21 VAL H H 56 7.621 7.621 7.492 0.129 17579 7193 1 12 . 1 1 22 22 LYS N N 57 126.903 126.903 128.153 -1.250 17579 7194 1 12 . 1 1 22 22 LYS HA H 57 4.682 4.682 4.698 -0.016 17579 7195 1 12 . 1 1 22 22 LYS C C 57 175.564 175.564 175.726 -0.162 17579 7196 1 12 . 1 1 22 22 LYS CA C 57 54.694 54.694 54.401 0.293 17579 7197 1 12 . 1 1 22 22 LYS CB C 57 33.975 33.975 33.649 0.326 17579 7198 1 12 . 1 1 22 22 LYS H H 57 9.006 9.006 8.455 0.551 17579 7199 1 12 . 1 1 23 23 ARG N N 58 122.053 122.053 122.758 -0.705 17579 7200 1 12 . 1 1 23 23 ARG HA H 58 4.850 4.850 4.484 0.366 17579 7201 1 12 . 1 1 23 23 ARG C C 58 176.136 176.136 176.400 -0.264 17579 7202 1 12 . 1 1 23 23 ARG CA C 58 56.100 56.100 54.999 1.101 17579 7203 1 12 . 1 1 23 23 ARG CB C 58 33.752 33.752 31.469 2.283 17579 7204 1 12 . 1 1 23 23 ARG H H 58 8.994 8.994 8.927 0.067 17579 7205 1 12 . 1 1 24 24 GLY N N 59 110.836 110.836 107.238 3.598 17579 7206 1 12 . 1 1 24 24 GLY C C 59 173.053 173.053 174.790 -1.737 17579 7207 1 12 . 1 1 24 24 GLY CA C 59 45.028 45.028 44.386 0.642 17579 7208 1 12 . 1 1 24 24 GLY H H 59 8.205 8.205 8.016 0.189 17579 7209 1 12 . 1 1 25 25 VAL N N 60 119.573 119.573 120.201 -0.628 17579 7210 1 12 . 1 1 25 25 VAL HA H 60 4.117 4.117 3.706 0.411 17579 7211 1 12 . 1 1 25 25 VAL C C 60 176.366 176.366 177.116 -0.750 17579 7212 1 12 . 1 1 25 25 VAL CA C 60 67.542 67.542 65.397 2.145 17579 7213 1 12 . 1 1 25 25 VAL CB C 60 32.147 32.147 31.869 0.278 17579 7214 1 12 . 1 1 25 25 VAL H H 60 8.219 8.219 8.625 -0.406 17579 7215 1 12 . 1 1 26 26 LYS N N 61 117.987 117.987 120.700 -2.713 17579 7216 1 12 . 1 1 26 26 LYS HA H 61 3.896 3.896 3.980 -0.084 17579 7217 1 12 . 1 1 26 26 LYS C C 61 180.230 180.230 178.590 1.640 17579 7218 1 12 . 1 1 26 26 LYS CA C 61 60.492 60.492 60.223 0.269 17579 7219 1 12 . 1 1 26 26 LYS CB C 61 32.356 32.356 31.921 0.435 17579 7220 1 12 . 1 1 26 26 LYS H H 61 8.112 8.112 8.394 -0.282 17579 7221 1 12 . 1 1 27 27 GLU N N 62 117.610 117.610 118.400 -0.790 17579 7222 1 12 . 1 1 27 27 GLU HA H 62 3.937 3.937 4.094 -0.157 17579 7223 1 12 . 1 1 27 27 GLU C C 62 180.103 180.103 179.232 0.871 17579 7224 1 12 . 1 1 27 27 GLU CA C 62 59.119 59.119 59.472 -0.353 17579 7225 1 12 . 1 1 27 27 GLU CB C 62 30.052 30.052 28.846 1.206 17579 7226 1 12 . 1 1 27 27 GLU H H 62 8.493 8.493 8.014 0.479 17579 7227 1 12 . 1 1 28 28 VAL N N 63 120.585 120.585 121.071 -0.486 17579 7228 1 12 . 1 1 28 28 VAL HA H 63 3.478 3.478 3.942 -0.464 17579 7229 1 12 . 1 1 28 28 VAL C C 63 176.970 176.970 177.702 -0.732 17579 7230 1 12 . 1 1 28 28 VAL CA C 63 68.197 68.197 66.801 1.396 17579 7231 1 12 . 1 1 28 28 VAL CB C 63 31.632 31.632 31.766 -0.134 17579 7232 1 12 . 1 1 28 28 VAL H H 63 8.241 8.241 7.918 0.323 17579 7233 1 12 . 1 1 29 29 VAL N N 64 118.622 118.622 119.576 -0.954 17579 7234 1 12 . 1 1 29 29 VAL HA H 64 3.333 3.333 3.570 -0.237 17579 7235 1 12 . 1 1 29 29 VAL C C 64 177.709 177.709 177.843 -0.134 17579 7236 1 12 . 1 1 29 29 VAL CA C 64 67.751 67.751 66.337 1.414 17579 7237 1 12 . 1 1 29 29 VAL CB C 64 31.553 31.553 31.600 -0.047 17579 7238 1 12 . 1 1 29 29 VAL H H 64 8.510 8.510 8.051 0.459 17579 7239 1 12 . 1 1 30 30 LYS N N 65 118.138 118.138 118.704 -0.566 17579 7240 1 12 . 1 1 30 30 LYS HA H 65 3.855 3.855 4.016 -0.161 17579 7241 1 12 . 1 1 30 30 LYS C C 65 178.693 178.693 178.740 -0.047 17579 7242 1 12 . 1 1 30 30 LYS CA C 65 59.986 59.986 59.249 0.737 17579 7243 1 12 . 1 1 30 30 LYS CB C 65 32.800 32.800 31.947 0.853 17579 7244 1 12 . 1 1 30 30 LYS H H 65 7.533 7.533 8.164 -0.631 17579 7245 1 12 . 1 1 31 31 ALA N N 66 120.585 120.585 121.615 -1.030 17579 7246 1 12 . 1 1 31 31 ALA HA H 66 4.049 4.049 4.111 -0.062 17579 7247 1 12 . 1 1 31 31 ALA C C 66 179.745 179.745 179.151 0.594 17579 7248 1 12 . 1 1 31 31 ALA CA C 66 55.288 55.288 54.497 0.791 17579 7249 1 12 . 1 1 31 31 ALA CB C 66 19.207 19.207 18.106 1.101 17579 7250 1 12 . 1 1 31 31 ALA H H 66 7.489 7.489 7.941 -0.452 17579 7251 1 12 . 1 1 32 32 LEU N N 67 119.402 119.402 115.862 3.540 17579 7252 1 12 . 1 1 32 32 LEU HA H 67 3.976 3.976 4.262 -0.286 17579 7253 1 12 . 1 1 32 32 LEU C C 67 180.917 180.917 178.329 2.588 17579 7254 1 12 . 1 1 32 32 LEU CA C 67 58.115 58.115 57.019 1.096 17579 7255 1 12 . 1 1 32 32 LEU CB C 67 42.554 42.554 41.930 0.624 17579 7256 1 12 . 1 1 32 32 LEU H H 67 8.332 8.332 7.640 0.692 17579 7257 1 12 . 1 1 33 33 ARG N N 68 116.408 116.408 119.848 -3.440 17579 7258 1 12 . 1 1 33 33 ARG HA H 68 3.787 3.787 4.175 -0.388 17579 7259 1 12 . 1 1 33 33 ARG C C 68 178.472 178.472 177.879 0.593 17579 7260 1 12 . 1 1 33 33 ARG CA C 68 59.581 59.581 58.364 1.217 17579 7261 1 12 . 1 1 33 33 ARG CB C 68 29.946 29.946 30.564 -0.618 17579 7262 1 12 . 1 1 33 33 ARG H H 68 8.147 8.147 8.048 0.099 17579 7263 1 12 . 1 1 34 34 LYS N N 69 117.866 117.866 117.279 0.587 17579 7264 1 12 . 1 1 34 34 LYS HA H 69 4.232 4.232 4.236 -0.004 17579 7265 1 12 . 1 1 34 34 LYS C C 69 177.005 177.005 176.959 0.046 17579 7266 1 12 . 1 1 34 34 LYS CA C 69 56.788 56.788 57.072 -0.284 17579 7267 1 12 . 1 1 34 34 LYS CB C 69 33.008 33.008 32.667 0.341 17579 7268 1 12 . 1 1 34 34 LYS H H 69 7.606 7.606 8.198 -0.592 17579 7269 1 12 . 1 1 35 35 GLY N N 70 106.799 106.799 104.783 2.016 17579 7270 1 12 . 1 1 35 35 GLY C C 70 175.547 175.547 174.610 0.937 17579 7271 1 12 . 1 1 35 35 GLY CA C 70 45.969 45.969 45.023 0.946 17579 7272 1 12 . 1 1 35 35 GLY H H 70 7.678 7.678 7.725 -0.047 17579 7273 1 12 . 1 1 36 36 GLU N N 71 119.492 119.492 122.707 -3.215 17579 7274 1 12 . 1 1 36 36 GLU HA H 71 4.199 4.199 4.276 -0.077 17579 7275 1 12 . 1 1 36 36 GLU C C 71 175.625 175.625 175.496 0.129 17579 7276 1 12 . 1 1 36 36 GLU CA C 71 57.696 57.696 55.755 1.941 17579 7277 1 12 . 1 1 36 36 GLU CB C 71 29.620 29.620 28.435 1.185 17579 7278 1 12 . 1 1 36 36 GLU H H 71 7.686 7.686 8.556 -0.870 17579 7279 1 12 . 1 1 37 37 LYS N N 72 118.433 118.433 120.547 -2.114 17579 7280 1 12 . 1 1 37 37 LYS HA H 72 4.863 4.863 4.487 0.376 17579 7281 1 12 . 1 1 37 37 LYS C C 72 175.983 175.983 176.201 -0.218 17579 7282 1 12 . 1 1 37 37 LYS CA C 72 54.299 54.299 54.335 -0.036 17579 7283 1 12 . 1 1 37 37 LYS CB C 72 35.140 35.140 33.816 1.323 17579 7284 1 12 . 1 1 37 37 LYS H H 72 8.202 8.202 7.779 0.423 17579 7285 1 12 . 1 1 38 38 GLY N N 73 104.719 104.719 107.537 -2.818 17579 7286 1 12 . 1 1 38 38 GLY C C 73 172.071 172.071 173.347 -1.276 17579 7287 1 12 . 1 1 38 38 GLY CA C 73 46.798 46.798 46.029 0.769 17579 7288 1 12 . 1 1 38 38 GLY H H 73 7.214 7.214 8.929 -1.715 17579 7289 1 12 . 1 1 39 39 LEU N N 74 125.471 125.471 123.328 2.143 17579 7290 1 12 . 1 1 39 39 LEU HA H 74 4.992 4.992 4.930 0.062 17579 7291 1 12 . 1 1 39 39 LEU C C 74 174.651 174.651 174.740 -0.089 17579 7292 1 12 . 1 1 39 39 LEU CA C 74 54.686 54.686 54.687 -0.001 17579 7293 1 12 . 1 1 39 39 LEU CB C 74 47.360 47.360 45.760 1.600 17579 7294 1 12 . 1 1 39 39 LEU H H 74 8.930 8.930 8.263 0.667 17579 7295 1 12 . 1 1 40 40 VAL N N 75 130.975 130.975 127.798 3.177 17579 7296 1 12 . 1 1 40 40 VAL HA H 75 4.649 4.649 3.866 0.783 17579 7297 1 12 . 1 1 40 40 VAL C C 75 173.868 173.868 175.283 -1.415 17579 7298 1 12 . 1 1 40 40 VAL CA C 75 62.513 62.513 61.840 0.673 17579 7299 1 12 . 1 1 40 40 VAL CB C 75 32.856 32.856 30.610 2.246 17579 7300 1 12 . 1 1 40 40 VAL H H 75 8.549 8.549 8.911 -0.362 17579 7301 1 12 . 1 1 41 41 VAL N N 76 127.452 127.452 130.167 -2.715 17579 7302 1 12 . 1 1 41 41 VAL HA H 76 4.645 4.645 4.325 0.320 17579 7303 1 12 . 1 1 41 41 VAL C C 76 173.931 173.931 175.168 -1.237 17579 7304 1 12 . 1 1 41 41 VAL CA C 76 61.015 61.015 62.551 -1.536 17579 7305 1 12 . 1 1 41 41 VAL CB C 76 33.844 33.844 32.176 1.668 17579 7306 1 12 . 1 1 41 41 VAL H H 76 8.754 8.754 8.374 0.380 17579 7307 1 12 . 1 1 42 42 ILE N N 77 126.301 126.301 127.993 -1.692 17579 7308 1 12 . 1 1 42 42 ILE HA H 77 4.455 4.455 5.259 -0.804 17579 7309 1 12 . 1 1 42 42 ILE C C 77 174.965 174.965 174.823 0.142 17579 7310 1 12 . 1 1 42 42 ILE CA C 77 59.842 59.842 57.363 2.479 17579 7311 1 12 . 1 1 42 42 ILE CB C 77 40.257 40.257 41.374 -1.117 17579 7312 1 12 . 1 1 42 42 ILE H H 77 8.530 8.530 8.783 -0.253 17579 7313 1 12 . 1 1 43 43 ALA N N 78 128.716 128.716 127.661 1.055 17579 7314 1 12 . 1 1 43 43 ALA HA H 78 4.469 4.469 4.899 -0.430 17579 7315 1 12 . 1 1 43 43 ALA C C 78 177.979 177.979 179.081 -1.102 17579 7316 1 12 . 1 1 43 43 ALA CA C 78 52.398 52.398 50.849 1.550 17579 7317 1 12 . 1 1 43 43 ALA CB C 78 19.600 19.600 19.066 0.534 17579 7318 1 12 . 1 1 43 43 ALA H H 78 8.538 8.538 8.362 0.176 17579 7319 1 12 . 1 1 44 44 GLY N N 79 104.343 104.343 111.839 -7.496 17579 7320 1 12 . 1 1 44 44 GLY C C 79 173.472 173.472 174.483 -1.011 17579 7321 1 12 . 1 1 44 44 GLY CA C 79 46.239 46.239 47.146 -0.907 17579 7322 1 12 . 1 1 44 44 GLY H H 79 9.090 9.090 8.603 0.487 17579 7323 1 12 . 1 1 45 45 ASP N N 80 118.154 118.154 119.126 -0.972 17579 7324 1 12 . 1 1 45 45 ASP HA H 80 4.855 4.855 4.695 0.160 17579 7325 1 12 . 1 1 45 45 ASP C C 80 176.500 176.500 175.475 1.025 17579 7326 1 12 . 1 1 45 45 ASP CA C 80 52.804 52.804 53.738 -0.934 17579 7327 1 12 . 1 1 45 45 ASP CB C 80 39.410 39.410 42.210 -2.800 17579 7328 1 12 . 1 1 45 45 ASP H H 80 8.603 8.603 8.544 0.059 17579 7329 1 12 . 1 1 46 46 ILE N N 81 118.477 118.477 121.053 -2.576 17579 7330 1 12 . 1 1 46 46 ILE HA H 81 4.073 4.073 4.371 -0.298 17579 7331 1 12 . 1 1 46 46 ILE C C 81 173.822 173.822 173.482 0.340 17579 7332 1 12 . 1 1 46 46 ILE CA C 81 59.882 59.882 60.831 -0.949 17579 7333 1 12 . 1 1 46 46 ILE CB C 81 39.136 39.136 41.010 -1.874 17579 7334 1 12 . 1 1 46 46 ILE H H 81 6.846 6.846 7.380 -0.534 17579 7335 1 12 . 1 1 47 47 SER N N 82 117.552 117.552 120.254 -2.702 17579 7336 1 12 . 1 1 47 47 SER HA H 82 4.628 4.628 5.058 -0.430 17579 7337 1 12 . 1 1 47 47 SER C C 82 176.920 176.920 172.415 4.505 17579 7338 1 12 . 1 1 47 47 SER CA C 82 55.444 55.444 55.748 -0.304 17579 7339 1 12 . 1 1 47 47 SER CB C 82 65.268 65.268 64.884 0.384 17579 7340 1 12 . 1 1 47 47 SER H H 82 7.774 7.774 8.268 -0.494 17579 7341 1 12 . 1 1 48 48 PRO HA H 83 4.259 4.259 4.578 -0.319 17579 7342 1 12 . 1 1 48 48 PRO CA C 83 62.312 62.312 62.792 -0.480 17579 7343 1 12 . 1 1 48 48 PRO CB C 83 30.564 30.564 32.123 -1.559 17579 7344 1 12 . 1 1 49 49 ALA N N 84 122.207 122.207 119.952 2.255 17579 7345 1 12 . 1 1 49 49 ALA HA H 84 3.978 3.978 4.292 -0.314 17579 7346 1 12 . 1 1 49 49 ALA C C 84 178.699 178.699 177.814 0.885 17579 7347 1 12 . 1 1 49 49 ALA CA C 84 54.704 54.704 53.386 1.318 17579 7348 1 12 . 1 1 49 49 ALA CB C 84 19.393 19.393 19.108 0.285 17579 7349 1 12 . 1 1 49 49 ALA H H 84 8.091 8.091 8.368 -0.277 17579 7350 1 12 . 1 1 50 50 ASP N N 85 113.440 113.440 119.705 -6.265 17579 7351 1 12 . 1 1 50 50 ASP HA H 85 4.338 4.338 4.610 -0.272 17579 7352 1 12 . 1 1 50 50 ASP C C 85 177.723 177.723 178.436 -0.713 17579 7353 1 12 . 1 1 50 50 ASP CA C 85 56.203 56.203 55.850 0.353 17579 7354 1 12 . 1 1 50 50 ASP CB C 85 40.562 40.562 40.378 0.184 17579 7355 1 12 . 1 1 50 50 ASP H H 85 8.148 8.148 8.247 -0.099 17579 7356 1 12 . 1 1 51 51 VAL N N 86 116.604 116.604 117.075 -0.471 17579 7357 1 12 . 1 1 51 51 VAL HA H 86 3.925 3.925 3.823 0.102 17579 7358 1 12 . 1 1 51 51 VAL C C 86 176.966 176.966 177.346 -0.380 17579 7359 1 12 . 1 1 51 51 VAL CA C 86 65.241 65.241 65.885 -0.644 17579 7360 1 12 . 1 1 51 51 VAL CB C 86 32.467 32.467 31.187 1.280 17579 7361 1 12 . 1 1 51 51 VAL H H 86 7.538 7.538 8.119 -0.581 17579 7362 1 12 . 1 1 52 52 ILE N N 87 108.211 108.211 119.223 -11.012 17579 7363 1 12 . 1 1 52 52 ILE HA H 87 4.565 4.565 3.845 0.721 17579 7364 1 12 . 1 1 52 52 ILE C C 87 178.116 178.116 177.173 0.943 17579 7365 1 12 . 1 1 52 52 ILE CA C 87 60.165 60.165 63.840 -3.675 17579 7366 1 12 . 1 1 52 52 ILE CB C 87 41.048 41.048 37.722 3.326 17579 7367 1 12 . 1 1 52 52 ILE H H 87 7.283 7.283 7.895 -0.612 17579 7368 1 12 . 1 1 53 53 SER N N 88 116.088 116.088 112.689 3.399 17579 7369 1 12 . 1 1 53 53 SER HA H 88 4.538 4.538 4.499 0.039 17579 7370 1 12 . 1 1 53 53 SER CA C 88 61.852 61.852 58.753 3.099 17579 7371 1 12 . 1 1 53 53 SER CB C 88 62.604 62.604 63.869 -1.265 17579 7372 1 12 . 1 1 53 53 SER H H 88 7.845 7.845 8.124 -0.279 17579 7373 1 12 . 1 1 54 54 HIS N N 89 121.004 121.004 120.947 0.057 17579 7374 1 12 . 1 1 54 54 HIS HA H 89 4.590 4.590 4.651 -0.061 17579 7375 1 12 . 1 1 54 54 HIS C C 89 176.530 176.530 176.409 0.121 17579 7376 1 12 . 1 1 54 54 HIS CA C 89 56.554 56.554 57.605 -1.052 17579 7377 1 12 . 1 1 54 54 HIS CB C 89 33.261 33.261 31.887 1.374 17579 7378 1 12 . 1 1 54 54 HIS H H 89 8.450 8.450 8.146 0.304 17579 7379 1 12 . 1 1 55 55 ILE N N 90 123.909 123.909 122.238 1.671 17579 7380 1 12 . 1 1 55 55 ILE HA H 90 4.583 4.583 3.758 0.825 17579 7381 1 12 . 1 1 55 55 ILE CA C 90 62.230 62.230 65.987 -3.757 17579 7382 1 12 . 1 1 55 55 ILE CB C 90 42.418 42.418 34.823 7.595 17579 7383 1 12 . 1 1 55 55 ILE H H 90 8.142 8.142 8.263 -0.121 17579 7384 1 12 . 1 1 56 56 PRO HA H 91 2.974 2.974 4.287 -1.313 17579 7385 1 12 . 1 1 56 56 PRO C C 91 177.132 177.132 179.015 -1.883 17579 7386 1 12 . 1 1 56 56 PRO CA C 91 66.917 66.917 65.771 1.146 17579 7387 1 12 . 1 1 56 56 PRO CB C 91 31.519 31.519 31.132 0.387 17579 7388 1 12 . 1 1 57 57 VAL N N 92 114.761 114.761 118.244 -3.483 17579 7389 1 12 . 1 1 57 57 VAL HA H 92 3.570 3.570 3.795 -0.225 17579 7390 1 12 . 1 1 57 57 VAL C C 92 177.995 177.995 178.157 -0.162 17579 7391 1 12 . 1 1 57 57 VAL CA C 92 66.358 66.358 65.999 0.359 17579 7392 1 12 . 1 1 57 57 VAL CB C 92 31.694 31.694 31.382 0.312 17579 7393 1 12 . 1 1 57 57 VAL H H 92 6.505 6.505 7.529 -1.024 17579 7394 1 12 . 1 1 58 58 LEU N N 93 120.572 120.572 119.684 0.888 17579 7395 1 12 . 1 1 58 58 LEU HA H 93 4.200 4.200 4.041 0.159 17579 7396 1 12 . 1 1 58 58 LEU C C 93 180.452 180.452 178.681 1.771 17579 7397 1 12 . 1 1 58 58 LEU CA C 93 57.938 57.938 58.207 -0.269 17579 7398 1 12 . 1 1 58 58 LEU CB C 93 43.394 43.394 40.978 2.416 17579 7399 1 12 . 1 1 58 58 LEU H H 93 7.432 7.432 8.205 -0.773 17579 7400 1 12 . 1 1 59 59 CYS N N 94 117.330 117.330 118.325 -0.995 17579 7401 1 12 . 1 1 59 59 CYS HA H 94 3.827 3.827 4.179 -0.352 17579 7402 1 12 . 1 1 59 59 CYS C C 94 177.986 177.986 176.724 1.262 17579 7403 1 12 . 1 1 59 59 CYS CA C 94 65.483 65.483 62.964 2.519 17579 7404 1 12 . 1 1 59 59 CYS CB C 94 26.552 26.552 27.662 -1.109 17579 7405 1 12 . 1 1 59 59 CYS H H 94 8.423 8.423 8.043 0.380 17579 7406 1 12 . 1 1 60 60 GLU N N 95 120.766 120.766 119.388 1.378 17579 7407 1 12 . 1 1 60 60 GLU HA H 95 3.512 3.512 4.227 -0.715 17579 7408 1 12 . 1 1 60 60 GLU C C 95 180.736 180.736 177.470 3.266 17579 7409 1 12 . 1 1 60 60 GLU CA C 95 59.909 59.909 58.135 1.774 17579 7410 1 12 . 1 1 60 60 GLU CB C 95 29.108 29.108 29.257 -0.149 17579 7411 1 12 . 1 1 60 60 GLU H H 95 8.237 8.237 7.914 0.323 17579 7412 1 12 . 1 1 61 61 ASP N N 96 120.591 120.591 118.602 1.989 17579 7413 1 12 . 1 1 61 61 ASP HA H 96 4.311 4.311 4.633 -0.322 17579 7414 1 12 . 1 1 61 61 ASP C C 96 178.004 178.004 177.082 0.922 17579 7415 1 12 . 1 1 61 61 ASP CA C 96 57.549 57.549 56.201 1.348 17579 7416 1 12 . 1 1 61 61 ASP CB C 96 41.083 41.083 41.408 -0.325 17579 7417 1 12 . 1 1 61 61 ASP H H 96 8.345 8.345 7.906 0.439 17579 7418 1 12 . 1 1 62 62 HIS N N 97 115.844 115.844 115.379 0.465 17579 7419 1 12 . 1 1 62 62 HIS HA H 97 4.575 4.575 4.759 -0.184 17579 7420 1 12 . 1 1 62 62 HIS C C 97 173.728 173.728 174.473 -0.745 17579 7421 1 12 . 1 1 62 62 HIS CA C 97 57.418 57.418 56.029 1.389 17579 7422 1 12 . 1 1 62 62 HIS CB C 97 30.067 30.067 32.661 -2.594 17579 7423 1 12 . 1 1 62 62 HIS H H 97 7.663 7.663 7.876 -0.213 17579 7424 1 12 . 1 1 63 63 SER N N 98 114.813 114.813 115.832 -1.019 17579 7425 1 12 . 1 1 63 63 SER HA H 98 4.097 4.097 4.119 -0.022 17579 7426 1 12 . 1 1 63 63 SER C C 98 173.789 173.789 172.770 1.019 17579 7427 1 12 . 1 1 63 63 SER CA C 98 59.255 59.255 58.734 0.521 17579 7428 1 12 . 1 1 63 63 SER CB C 98 61.602 61.602 62.415 -0.813 17579 7429 1 12 . 1 1 63 63 SER H H 98 7.861 7.861 7.967 -0.106 17579 7430 1 12 . 1 1 64 64 VAL N N 99 123.227 123.227 122.235 0.992 17579 7431 1 12 . 1 1 64 64 VAL HA H 99 4.157 4.157 4.495 -0.338 17579 7432 1 12 . 1 1 64 64 VAL C C 99 174.345 174.345 174.373 -0.028 17579 7433 1 12 . 1 1 64 64 VAL CA C 99 58.923 58.923 58.862 0.061 17579 7434 1 12 . 1 1 64 64 VAL CB C 99 35.133 35.133 35.480 -0.347 17579 7435 1 12 . 1 1 64 64 VAL H H 99 8.603 8.603 8.340 0.263 17579 7436 1 12 . 1 1 65 65 PRO HA H 100 4.260 4.260 4.477 -0.217 17579 7437 1 12 . 1 1 65 65 PRO C C 100 173.335 173.335 175.142 -1.807 17579 7438 1 12 . 1 1 65 65 PRO CA C 100 63.165 63.165 63.051 0.114 17579 7439 1 12 . 1 1 65 65 PRO CB C 100 32.083 32.083 29.922 2.161 17579 7440 1 12 . 1 1 66 66 TYR N N 101 114.840 114.840 124.165 -9.325 17579 7441 1 12 . 1 1 66 66 TYR HA H 101 5.900 5.900 4.756 1.144 17579 7442 1 12 . 1 1 66 66 TYR C C 101 170.503 170.503 173.464 -2.961 17579 7443 1 12 . 1 1 66 66 TYR CA C 101 53.986 53.986 56.475 -2.489 17579 7444 1 12 . 1 1 66 66 TYR CB C 101 41.998 41.998 41.084 0.915 17579 7445 1 12 . 1 1 66 66 TYR H H 101 6.219 6.219 7.977 -1.758 17579 7446 1 12 . 1 1 67 67 ILE N N 102 112.118 112.118 125.890 -13.772 17579 7447 1 12 . 1 1 67 67 ILE HA H 102 4.488 4.488 3.943 0.545 17579 7448 1 12 . 1 1 67 67 ILE C C 102 171.963 171.963 173.133 -1.170 17579 7449 1 12 . 1 1 67 67 ILE CA C 102 55.343 55.343 58.700 -3.357 17579 7450 1 12 . 1 1 67 67 ILE CB C 102 43.317 43.317 41.734 1.583 17579 7451 1 12 . 1 1 67 67 ILE H H 102 7.954 7.954 8.699 -0.745 17579 7452 1 12 . 1 1 68 68 PHE N N 103 122.272 122.272 123.006 -0.734 17579 7453 1 12 . 1 1 68 68 PHE HA H 103 5.945 5.945 5.339 0.606 17579 7454 1 12 . 1 1 68 68 PHE C C 103 176.374 176.374 174.009 2.365 17579 7455 1 12 . 1 1 68 68 PHE CA C 103 56.520 56.520 55.007 1.513 17579 7456 1 12 . 1 1 68 68 PHE CB C 103 40.518 40.518 41.431 -0.913 17579 7457 1 12 . 1 1 68 68 PHE H H 103 8.087 8.087 7.387 0.700 17579 7458 1 12 . 1 1 69 69 ILE N N 104 114.672 114.672 116.191 -1.519 17579 7459 1 12 . 1 1 69 69 ILE HA H 104 2.991 2.991 4.661 -1.670 17579 7460 1 12 . 1 1 69 69 ILE C C 104 175.387 175.387 174.084 1.303 17579 7461 1 12 . 1 1 69 69 ILE CA C 104 57.903 57.903 58.152 -0.249 17579 7462 1 12 . 1 1 69 69 ILE CB C 104 38.207 38.207 40.449 -2.242 17579 7463 1 12 . 1 1 69 69 ILE H H 104 8.847 8.847 8.971 -0.124 17579 7464 1 12 . 1 1 70 70 PRO HA H 105 3.918 3.918 4.548 -0.630 17579 7465 1 12 . 1 1 70 70 PRO C C 105 177.442 177.442 176.062 1.380 17579 7466 1 12 . 1 1 70 70 PRO CA C 105 64.823 64.823 63.148 1.675 17579 7467 1 12 . 1 1 70 70 PRO CB C 105 35.906 35.906 30.430 5.476 17579 7468 1 12 . 1 1 71 71 SER N N 106 113.113 113.113 119.397 -6.284 17579 7469 1 12 . 1 1 71 71 SER HA H 106 4.261 4.261 4.643 -0.382 17579 7470 1 12 . 1 1 71 71 SER C C 106 175.111 175.111 174.956 0.155 17579 7471 1 12 . 1 1 71 71 SER CA C 106 60.111 60.111 58.527 1.584 17579 7472 1 12 . 1 1 71 71 SER CB C 106 63.687 63.687 64.275 -0.588 17579 7473 1 12 . 1 1 71 71 SER H H 106 7.904 7.904 8.263 -0.359 17579 7474 1 12 . 1 1 72 72 LYS N N 107 119.830 119.830 127.321 -7.491 17579 7475 1 12 . 1 1 72 72 LYS HA H 107 4.187 4.187 3.933 0.254 17579 7476 1 12 . 1 1 72 72 LYS CA C 107 58.783 58.783 59.801 -1.018 17579 7477 1 12 . 1 1 72 72 LYS CB C 107 30.951 30.951 32.105 -1.154 17579 7478 1 12 . 1 1 72 72 LYS H H 107 8.314 8.314 8.782 -0.468 17579 7479 1 12 . 1 1 73 73 GLN N N 108 123.860 123.860 119.996 3.864 17579 7480 1 12 . 1 1 73 73 GLN HA H 108 4.001 4.001 4.090 -0.089 17579 7481 1 12 . 1 1 73 73 GLN CA C 108 58.831 58.831 59.442 -0.611 17579 7482 1 12 . 1 1 73 73 GLN CB C 108 28.451 28.451 27.728 0.723 17579 7483 1 12 . 1 1 73 73 GLN H H 108 8.510 8.510 8.726 -0.216 17579 7484 1 12 . 1 1 74 74 ASP N N 109 121.145 121.145 118.849 2.296 17579 7485 1 12 . 1 1 74 74 ASP HA H 109 4.389 4.389 4.341 0.048 17579 7486 1 12 . 1 1 74 74 ASP C C 109 178.552 178.552 178.816 -0.264 17579 7487 1 12 . 1 1 74 74 ASP H H 109 7.966 7.966 8.358 -0.392 17579 7488 1 12 . 1 1 75 75 LEU N N 110 121.098 121.098 120.905 0.193 17579 7489 1 12 . 1 1 75 75 LEU HA H 110 3.955 3.955 3.904 0.051 17579 7490 1 12 . 1 1 75 75 LEU C C 110 178.953 178.953 179.049 -0.096 17579 7491 1 12 . 1 1 75 75 LEU CA C 110 56.538 56.538 57.894 -1.355 17579 7492 1 12 . 1 1 75 75 LEU CB C 110 40.845 40.845 42.032 -1.187 17579 7493 1 12 . 1 1 75 75 LEU H H 110 7.932 7.932 8.249 -0.317 17579 7494 1 12 . 1 1 76 76 GLY N N 111 105.659 105.659 105.542 0.117 17579 7495 1 12 . 1 1 76 76 GLY C C 111 175.510 175.510 176.276 -0.766 17579 7496 1 12 . 1 1 76 76 GLY CA C 111 47.037 47.037 47.014 0.023 17579 7497 1 12 . 1 1 76 76 GLY H H 111 8.006 8.006 8.450 -0.444 17579 7498 1 12 . 1 1 77 77 ALA N N 112 122.987 122.987 125.941 -2.954 17579 7499 1 12 . 1 1 77 77 ALA HA H 112 4.112 4.112 4.097 0.015 17579 7500 1 12 . 1 1 77 77 ALA C C 112 179.350 179.350 178.614 0.736 17579 7501 1 12 . 1 1 77 77 ALA CA C 112 53.930 53.930 54.694 -0.764 17579 7502 1 12 . 1 1 77 77 ALA CB C 112 18.727 18.727 18.567 0.161 17579 7503 1 12 . 1 1 77 77 ALA H H 112 7.824 7.824 8.031 -0.207 17579 7504 1 12 . 1 1 78 78 ALA N N 113 121.466 121.466 118.540 2.926 17579 7505 1 12 . 1 1 78 78 ALA HA H 113 4.189 4.189 4.123 0.066 17579 7506 1 12 . 1 1 78 78 ALA C C 113 177.368 177.368 178.858 -1.490 17579 7507 1 12 . 1 1 78 78 ALA CA C 113 53.750 53.750 53.938 -0.188 17579 7508 1 12 . 1 1 78 78 ALA CB C 113 19.231 19.231 19.282 -0.051 17579 7509 1 12 . 1 1 78 78 ALA H H 113 7.785 7.785 7.857 -0.073 17579 7510 1 12 . 1 1 79 79 GLY N N 114 104.016 104.016 106.311 -2.295 17579 7511 1 12 . 1 1 79 79 GLY CA C 114 45.256 45.256 45.633 -0.377 17579 7512 1 12 . 1 1 79 79 GLY H H 114 7.742 7.742 7.946 -0.204 17579 7513 1 12 . 1 1 80 80 ALA HA H 115 4.100 4.100 4.521 -0.421 17579 7514 1 12 . 1 1 80 80 ALA C C 115 176.526 176.526 176.944 -0.418 17579 7515 1 12 . 1 1 80 80 ALA CA C 115 53.482 53.482 51.939 1.543 17579 7516 1 12 . 1 1 80 80 ALA CB C 115 19.825 19.825 21.281 -1.456 17579 7517 1 12 . 1 1 81 81 THR N N 116 116.236 116.236 111.366 4.870 17579 7518 1 12 . 1 1 81 81 THR HA H 116 4.718 4.718 4.055 0.663 17579 7519 1 12 . 1 1 81 81 THR CA C 116 57.275 57.275 64.208 -6.933 17579 7520 1 12 . 1 1 81 81 THR CB C 116 64.878 64.878 67.091 -2.212 17579 7521 1 12 . 1 1 81 81 THR H H 116 8.068 8.068 8.165 -0.097 17579 7522 1 12 . 1 1 84 84 PRO HA H 119 4.072 4.072 4.394 -0.322 17579 7523 1 12 . 1 1 84 84 PRO CB C 119 32.154 32.154 31.309 0.845 17579 7524 1 12 . 1 1 85 85 THR N N 120 119.680 119.680 118.923 0.757 17579 7525 1 12 . 1 1 85 85 THR C C 120 175.333 175.333 173.948 1.385 17579 7526 1 12 . 1 1 85 85 THR CB C 120 71.769 71.769 70.560 1.209 17579 7527 1 12 . 1 1 85 85 THR H H 120 8.002 8.002 8.055 -0.053 17579 7528 1 12 . 1 1 86 86 SER N N 121 115.589 115.589 117.461 -1.872 17579 7529 1 12 . 1 1 86 86 SER HA H 121 4.325 4.325 4.548 -0.223 17579 7530 1 12 . 1 1 86 86 SER C C 121 172.929 172.929 172.670 0.259 17579 7531 1 12 . 1 1 86 86 SER CA C 121 59.722 59.722 58.503 1.219 17579 7532 1 12 . 1 1 86 86 SER CB C 121 64.608 64.608 64.462 0.146 17579 7533 1 12 . 1 1 86 86 SER H H 121 7.335 7.335 8.691 -1.356 17579 7534 1 12 . 1 1 87 87 VAL N N 122 116.044 116.044 119.092 -3.048 17579 7535 1 12 . 1 1 87 87 VAL HA H 122 5.200 5.200 4.746 0.454 17579 7536 1 12 . 1 1 87 87 VAL C C 122 172.465 172.465 173.928 -1.463 17579 7537 1 12 . 1 1 87 87 VAL CA C 122 59.819 59.819 60.010 -0.191 17579 7538 1 12 . 1 1 87 87 VAL CB C 122 33.368 33.368 32.771 0.597 17579 7539 1 12 . 1 1 87 87 VAL H H 122 7.152 7.152 7.617 -0.465 17579 7540 1 12 . 1 1 88 88 VAL N N 123 119.350 119.350 125.055 -5.705 17579 7541 1 12 . 1 1 88 88 VAL HA H 123 5.091 5.091 4.533 0.558 17579 7542 1 12 . 1 1 88 88 VAL C C 123 173.214 173.214 174.006 -0.792 17579 7543 1 12 . 1 1 88 88 VAL CA C 123 59.219 59.219 61.045 -1.826 17579 7544 1 12 . 1 1 88 88 VAL CB C 123 36.362 36.362 36.475 -0.113 17579 7545 1 12 . 1 1 88 88 VAL H H 123 8.851 8.851 8.728 0.123 17579 7546 1 12 . 1 1 89 89 PHE N N 124 122.568 122.568 125.169 -2.601 17579 7547 1 12 . 1 1 89 89 PHE HA H 124 5.613 5.613 5.253 0.360 17579 7548 1 12 . 1 1 89 89 PHE C C 124 174.887 174.887 175.136 -0.249 17579 7549 1 12 . 1 1 89 89 PHE CA C 124 52.961 52.961 56.189 -3.228 17579 7550 1 12 . 1 1 89 89 PHE CB C 124 42.788 42.788 42.383 0.405 17579 7551 1 12 . 1 1 89 89 PHE H H 124 9.051 9.051 9.240 -0.189 17579 7552 1 12 . 1 1 90 90 ILE N N 125 127.707 127.707 127.588 0.119 17579 7553 1 12 . 1 1 90 90 ILE HA H 125 4.264 4.264 4.322 -0.058 17579 7554 1 12 . 1 1 90 90 ILE C C 125 173.870 173.870 175.436 -1.566 17579 7555 1 12 . 1 1 90 90 ILE CA C 125 61.789 61.789 60.334 1.454 17579 7556 1 12 . 1 1 90 90 ILE CB C 125 39.785 39.785 37.800 1.985 17579 7557 1 12 . 1 1 90 90 ILE H H 125 9.477 9.477 9.357 0.120 17579 7558 1 12 . 1 1 91 91 VAL N N 126 126.579 126.579 118.837 7.742 17579 7559 1 12 . 1 1 91 91 VAL HA H 126 4.566 4.566 4.999 -0.433 17579 7560 1 12 . 1 1 91 91 VAL C C 126 173.829 173.829 174.027 -0.198 17579 7561 1 12 . 1 1 91 91 VAL CA C 126 58.701 58.701 58.588 0.113 17579 7562 1 12 . 1 1 91 91 VAL CB C 126 32.989 32.989 34.129 -1.140 17579 7563 1 12 . 1 1 91 91 VAL H H 126 8.149 8.149 8.786 -0.637 17579 7564 1 12 . 1 1 92 92 PRO HA H 127 4.035 4.035 4.447 -0.412 17579 7565 1 12 . 1 1 92 92 PRO C C 127 177.766 177.766 178.025 -0.259 17579 7566 1 12 . 1 1 92 92 PRO CA C 127 63.684 63.684 63.885 -0.201 17579 7567 1 12 . 1 1 92 92 PRO CB C 127 32.178 32.178 32.127 0.051 17579 7568 1 12 . 1 1 93 93 GLY N N 128 108.618 108.618 107.798 0.820 17579 7569 1 12 . 1 1 93 93 GLY CA C 128 45.787 45.787 45.623 0.164 17579 7570 1 12 . 1 1 93 93 GLY H H 128 7.970 7.970 8.523 -0.553 17579 7571 1 12 . 1 1 94 94 SER N N 129 113.620 113.620 115.812 -2.192 17579 7572 1 12 . 1 1 94 94 SER HA H 129 4.317 4.317 4.530 -0.213 17579 7573 1 12 . 1 1 94 94 SER C C 129 180.379 180.379 173.833 6.546 17579 7574 1 12 . 1 1 94 94 SER CA C 129 58.566 58.566 57.527 1.039 17579 7575 1 12 . 1 1 94 94 SER H H 129 7.952 7.952 7.981 -0.029 17579 7576 1 12 . 1 1 95 95 ASN N N 130 120.775 120.775 120.189 0.586 17579 7577 1 12 . 1 1 95 95 ASN HA H 130 3.964 3.964 4.462 -0.497 17579 7578 1 12 . 1 1 95 95 ASN C C 130 178.664 178.664 177.304 1.360 17579 7579 1 12 . 1 1 95 95 ASN CA C 130 57.689 57.689 56.411 1.278 17579 7580 1 12 . 1 1 95 95 ASN CB C 130 42.288 42.288 38.198 4.090 17579 7581 1 12 . 1 1 95 95 ASN H H 130 8.300 8.300 8.790 -0.490 17579 7582 1 12 . 1 1 96 96 LYS N N 131 119.316 119.316 119.766 -0.450 17579 7583 1 12 . 1 1 96 96 LYS HA H 131 4.095 4.095 4.123 -0.028 17579 7584 1 12 . 1 1 96 96 LYS C C 131 178.290 178.290 178.220 0.070 17579 7585 1 12 . 1 1 96 96 LYS CA C 131 59.062 59.062 58.263 0.799 17579 7586 1 12 . 1 1 96 96 LYS CB C 131 29.745 29.745 32.223 -2.478 17579 7587 1 12 . 1 1 96 96 LYS H H 131 7.896 7.896 7.735 0.161 17579 7588 1 12 . 1 1 97 97 LYS N N 132 117.523 117.523 118.653 -1.130 17579 7589 1 12 . 1 1 97 97 LYS C C 132 176.927 176.927 177.761 -0.834 17579 7590 1 12 . 1 1 97 97 LYS CA C 132 58.555 58.555 58.945 -0.390 17579 7591 1 12 . 1 1 97 97 LYS CB C 132 30.578 30.578 31.939 -1.361 17579 7592 1 12 . 1 1 97 97 LYS H H 132 7.791 7.791 8.243 -0.452 17579 7593 1 12 . 1 1 98 98 LYS HA H 133 4.236 4.236 4.023 0.213 17579 7594 1 12 . 1 1 98 98 LYS C C 133 176.606 176.606 177.344 -0.738 17579 7595 1 12 . 1 1 98 98 LYS CA C 133 57.225 57.225 58.700 -1.476 17579 7596 1 12 . 1 1 98 98 LYS CB C 133 33.151 33.151 32.164 0.987 17579 7597 1 12 . 1 1 99 99 ASP N N 134 120.311 120.311 115.365 4.946 17579 7598 1 12 . 1 1 99 99 ASP HA H 134 4.584 4.584 4.681 -0.097 17579 7599 1 12 . 1 1 99 99 ASP C C 134 176.899 176.899 176.646 0.253 17579 7600 1 12 . 1 1 99 99 ASP CA C 134 54.402 54.402 54.120 0.282 17579 7601 1 12 . 1 1 99 99 ASP CB C 134 41.568 41.568 43.197 -1.629 17579 7602 1 12 . 1 1 99 99 ASP H H 134 8.267 8.267 7.957 0.310 17579 7603 1 12 . 1 1 100 100 GLY N N 135 108.751 108.751 109.935 -1.184 17579 7604 1 12 . 1 1 100 100 GLY C C 135 174.683 174.683 174.300 0.383 17579 7605 1 12 . 1 1 100 100 GLY CA C 135 45.985 45.985 46.458 -0.473 17579 7606 1 12 . 1 1 100 100 GLY H H 135 8.235 8.235 8.185 0.050 17579 7607 1 12 . 1 1 101 101 LYS N N 136 120.306 120.306 121.118 -0.812 17579 7608 1 12 . 1 1 101 101 LYS HA H 136 4.279 4.279 4.547 -0.268 17579 7609 1 12 . 1 1 101 101 LYS C C 136 175.145 175.145 176.344 -1.199 17579 7610 1 12 . 1 1 101 101 LYS CA C 136 56.875 56.875 56.499 0.376 17579 7611 1 12 . 1 1 101 101 LYS CB C 136 32.987 32.987 33.825 -0.838 17579 7612 1 12 . 1 1 101 101 LYS H H 136 8.148 8.148 8.493 -0.345 17579 7613 1 12 . 1 1 102 102 ASN N N 137 118.958 118.958 115.957 3.001 17579 7614 1 12 . 1 1 102 102 ASN HA H 137 4.707 4.707 4.679 0.028 17579 7615 1 12 . 1 1 102 102 ASN C C 137 175.849 175.849 174.232 1.617 17579 7616 1 12 . 1 1 102 102 ASN CA C 137 53.816 53.816 54.276 -0.460 17579 7617 1 12 . 1 1 102 102 ASN CB C 137 39.070 39.070 39.319 -0.249 17579 7618 1 12 . 1 1 102 102 ASN H H 137 8.406 8.406 8.081 0.325 17579 7619 1 12 . 1 1 103 103 LYS N N 138 121.782 121.782 121.734 0.048 17579 7620 1 12 . 1 1 103 103 LYS HA H 138 4.255 4.255 4.499 -0.244 17579 7621 1 12 . 1 1 103 103 LYS CA C 138 56.641 56.641 56.326 0.315 17579 7622 1 12 . 1 1 103 103 LYS CB C 138 32.911 32.911 31.260 1.651 17579 7623 1 12 . 1 1 103 103 LYS H H 138 8.316 8.316 8.206 0.110 17579 7624 1 12 . 1 1 104 104 GLU N N 139 121.053 121.053 120.610 0.443 17579 7625 1 12 . 1 1 104 104 GLU CA C 139 57.449 57.449 59.489 -2.040 17579 7626 1 12 . 1 1 104 104 GLU CB C 139 29.983 29.983 28.445 1.538 17579 7627 1 12 . 1 1 104 104 GLU H H 139 8.459 8.459 8.723 -0.264 17579 7628 1 12 . 1 1 106 106 GLU N N 141 122.191 122.191 120.191 2.000 17579 7629 1 12 . 1 1 106 106 GLU HA H 141 4.268 4.268 4.033 0.235 17579 7630 1 12 . 1 1 106 106 GLU CA C 141 64.025 64.025 59.300 4.724 17579 7631 1 12 . 1 1 106 106 GLU CB C 141 32.117 32.117 29.002 3.115 17579 7632 1 12 . 1 1 106 106 GLU H H 141 8.291 8.291 8.625 -0.334 17579 7633 1 12 . 1 1 107 107 TYR N N 142 115.802 115.802 122.391 -6.589 17579 7634 1 12 . 1 1 107 107 TYR HA H 142 4.996 4.996 4.060 0.936 17579 7635 1 12 . 1 1 107 107 TYR C C 142 175.381 175.381 177.326 -1.945 17579 7636 1 12 . 1 1 107 107 TYR CA C 142 57.581 57.581 60.662 -3.081 17579 7637 1 12 . 1 1 107 107 TYR CB C 142 39.533 39.533 38.141 1.392 17579 7638 1 12 . 1 1 107 107 TYR H H 142 7.344 7.344 8.941 -1.597 17579 7639 1 12 . 1 1 108 108 LYS N N 143 123.473 123.473 118.891 4.582 17579 7640 1 12 . 1 1 108 108 LYS HA H 143 3.628 3.628 3.292 0.336 17579 7641 1 12 . 1 1 108 108 LYS C C 143 177.659 177.659 178.566 -0.907 17579 7642 1 12 . 1 1 108 108 LYS CA C 143 59.988 59.988 59.037 0.951 17579 7643 1 12 . 1 1 108 108 LYS CB C 143 32.294 32.294 31.820 0.474 17579 7644 1 12 . 1 1 108 108 LYS H H 143 7.376 7.376 7.781 -0.405 17579 7645 1 12 . 1 1 109 109 GLU N N 144 118.799 118.799 119.046 -0.247 17579 7646 1 12 . 1 1 109 109 GLU HA H 144 4.048 4.048 3.926 0.122 17579 7647 1 12 . 1 1 109 109 GLU C C 144 179.583 179.583 178.836 0.747 17579 7648 1 12 . 1 1 109 109 GLU CA C 144 60.200 60.200 59.895 0.305 17579 7649 1 12 . 1 1 109 109 GLU CB C 144 29.237 29.237 29.583 -0.346 17579 7650 1 12 . 1 1 109 109 GLU H H 144 8.558 8.558 8.190 0.368 17579 7651 1 12 . 1 1 110 110 SER N N 145 116.121 116.121 115.092 1.029 17579 7652 1 12 . 1 1 110 110 SER HA H 145 4.319 4.319 4.207 0.112 17579 7653 1 12 . 1 1 110 110 SER C C 145 176.522 176.522 176.873 -0.351 17579 7654 1 12 . 1 1 110 110 SER CA C 145 61.990 61.990 61.688 0.302 17579 7655 1 12 . 1 1 110 110 SER CB C 145 63.293 63.293 63.172 0.121 17579 7656 1 12 . 1 1 110 110 SER H H 145 8.094 8.094 7.994 0.100 17579 7657 1 12 . 1 1 111 111 PHE N N 146 122.311 122.311 123.656 -1.345 17579 7658 1 12 . 1 1 111 111 PHE HA H 146 4.021 4.021 4.123 -0.102 17579 7659 1 12 . 1 1 111 111 PHE C C 146 176.001 176.001 176.688 -0.687 17579 7660 1 12 . 1 1 111 111 PHE CA C 146 62.504 62.504 61.781 0.723 17579 7661 1 12 . 1 1 111 111 PHE CB C 146 39.861 39.861 38.896 0.965 17579 7662 1 12 . 1 1 111 111 PHE H H 146 8.536 8.536 8.337 0.199 17579 7663 1 12 . 1 1 112 112 ASN N N 147 117.908 117.908 117.171 0.737 17579 7664 1 12 . 1 1 112 112 ASN HA H 147 4.252 4.252 4.227 0.025 17579 7665 1 12 . 1 1 112 112 ASN C C 147 178.315 178.315 177.484 0.831 17579 7666 1 12 . 1 1 112 112 ASN CA C 147 56.226 56.226 56.523 -0.297 17579 7667 1 12 . 1 1 112 112 ASN CB C 147 37.990 37.990 38.512 -0.522 17579 7668 1 12 . 1 1 112 112 ASN H H 147 8.795 8.795 8.742 0.053 17579 7669 1 12 . 1 1 113 113 GLU N N 148 119.868 119.868 120.075 -0.207 17579 7670 1 12 . 1 1 113 113 GLU HA H 148 4.024 4.024 3.987 0.037 17579 7671 1 12 . 1 1 113 113 GLU C C 148 179.410 179.410 178.690 0.720 17579 7672 1 12 . 1 1 113 113 GLU CA C 148 59.710 59.710 59.411 0.298 17579 7673 1 12 . 1 1 113 113 GLU CB C 148 30.063 30.063 29.666 0.397 17579 7674 1 12 . 1 1 113 113 GLU H H 148 7.764 7.764 7.869 -0.105 17579 7675 1 12 . 1 1 114 114 VAL N N 149 119.684 119.684 116.870 2.814 17579 7676 1 12 . 1 1 114 114 VAL HA H 149 3.544 3.544 3.649 -0.105 17579 7677 1 12 . 1 1 114 114 VAL C C 149 177.613 177.613 178.166 -0.553 17579 7678 1 12 . 1 1 114 114 VAL CA C 149 66.977 66.977 65.899 1.078 17579 7679 1 12 . 1 1 114 114 VAL CB C 149 30.605 30.605 31.305 -0.700 17579 7680 1 12 . 1 1 114 114 VAL H H 149 7.973 7.973 7.855 0.118 17579 7681 1 12 . 1 1 115 115 VAL N N 150 119.782 119.782 121.872 -2.090 17579 7682 1 12 . 1 1 115 115 VAL HA H 150 3.164 3.164 3.403 -0.239 17579 7683 1 12 . 1 1 115 115 VAL C C 150 177.499 177.499 177.987 -0.488 17579 7684 1 12 . 1 1 115 115 VAL CA C 150 68.301 68.301 66.702 1.599 17579 7685 1 12 . 1 1 115 115 VAL CB C 150 31.483 31.483 30.739 0.744 17579 7686 1 12 . 1 1 115 115 VAL H H 150 8.452 8.452 8.415 0.037 17579 7687 1 12 . 1 1 116 116 LYS N N 151 118.842 118.842 118.538 0.304 17579 7688 1 12 . 1 1 116 116 LYS HA H 151 4.024 4.024 4.084 -0.060 17579 7689 1 12 . 1 1 116 116 LYS C C 151 179.862 179.862 179.345 0.517 17579 7690 1 12 . 1 1 116 116 LYS CA C 151 59.947 59.947 59.053 0.894 17579 7691 1 12 . 1 1 116 116 LYS CB C 151 32.481 32.481 31.640 0.841 17579 7692 1 12 . 1 1 116 116 LYS H H 151 7.595 7.595 7.901 -0.306 17579 7693 1 12 . 1 1 117 117 GLU N N 152 120.243 120.243 119.533 0.710 17579 7694 1 12 . 1 1 117 117 GLU HA H 152 4.052 4.052 4.142 -0.090 17579 7695 1 12 . 1 1 117 117 GLU C C 152 179.528 179.528 178.752 0.776 17579 7696 1 12 . 1 1 117 117 GLU CA C 152 60.178 60.178 59.042 1.136 17579 7697 1 12 . 1 1 117 117 GLU CB C 152 29.949 29.949 29.358 0.591 17579 7698 1 12 . 1 1 117 117 GLU H H 152 7.513 7.513 7.828 -0.315 17579 7699 1 12 . 1 1 118 118 VAL N N 153 120.596 120.596 120.433 0.163 17579 7700 1 12 . 1 1 118 118 VAL HA H 153 3.464 3.464 3.717 -0.253 17579 7701 1 12 . 1 1 118 118 VAL C C 153 177.984 177.984 177.612 0.372 17579 7702 1 12 . 1 1 118 118 VAL CA C 153 68.047 68.047 65.306 2.741 17579 7703 1 12 . 1 1 118 118 VAL CB C 153 32.056 32.056 31.561 0.495 17579 7704 1 12 . 1 1 118 118 VAL H H 153 8.649 8.649 7.701 0.948 17579 7705 1 12 . 1 1 119 119 GLN N N 154 118.317 118.317 117.648 0.669 17579 7706 1 12 . 1 1 119 119 GLN HA H 154 3.986 3.986 4.205 -0.219 17579 7707 1 12 . 1 1 119 119 GLN C C 154 178.984 178.984 177.742 1.242 17579 7708 1 12 . 1 1 119 119 GLN CA C 154 59.716 59.716 57.562 2.154 17579 7709 1 12 . 1 1 119 119 GLN CB C 154 28.261 28.261 28.521 -0.260 17579 7710 1 12 . 1 1 119 119 GLN H H 154 8.947 8.947 7.952 0.995 17579 7711 1 12 . 1 1 120 120 ALA N N 155 120.688 120.688 123.178 -2.490 17579 7712 1 12 . 1 1 120 120 ALA HA H 155 3.484 3.484 4.177 -0.693 17579 7713 1 12 . 1 1 120 120 ALA C C 155 180.759 180.759 177.319 3.440 17579 7714 1 12 . 1 1 120 120 ALA CA C 155 55.257 55.257 54.130 1.127 17579 7715 1 12 . 1 1 120 120 ALA CB C 155 18.446 18.446 19.512 -1.066 17579 7716 1 12 . 1 1 120 120 ALA H H 155 7.494 7.494 7.761 -0.267 17579 7717 1 13 . 1 1 2 2 LYS N N 37 124.936 124.936 123.911 1.025 17579 7718 1 13 . 1 1 2 2 LYS HA H 37 4.053 4.053 4.127 -0.074 17579 7719 1 13 . 1 1 2 2 LYS C C 37 172.929 172.929 178.101 -5.172 17579 7720 1 13 . 1 1 2 2 LYS CA C 37 60.975 60.975 58.460 2.515 17579 7721 1 13 . 1 1 2 2 LYS CB C 37 32.607 32.607 31.920 0.687 17579 7722 1 13 . 1 1 2 2 LYS H H 37 7.564 7.564 8.645 -1.081 17579 7723 1 13 . 1 1 3 3 LYS N N 38 118.300 118.300 118.219 0.081 17579 7724 1 13 . 1 1 3 3 LYS HA H 38 4.045 4.045 4.056 -0.011 17579 7725 1 13 . 1 1 3 3 LYS C C 38 179.361 179.361 178.289 1.072 17579 7726 1 13 . 1 1 3 3 LYS CA C 38 59.930 59.930 58.557 1.373 17579 7727 1 13 . 1 1 3 3 LYS CB C 38 32.885 32.885 31.689 1.196 17579 7728 1 13 . 1 1 3 3 LYS H H 38 8.234 8.234 8.218 0.016 17579 7729 1 13 . 1 1 4 4 LEU N N 39 122.081 122.081 121.526 0.555 17579 7730 1 13 . 1 1 4 4 LEU HA H 39 4.135 4.135 3.863 0.272 17579 7731 1 13 . 1 1 4 4 LEU C C 39 178.433 178.433 178.113 0.320 17579 7732 1 13 . 1 1 4 4 LEU CA C 39 57.726 57.726 58.565 -0.839 17579 7733 1 13 . 1 1 4 4 LEU CB C 39 40.588 40.588 41.641 -1.052 17579 7734 1 13 . 1 1 4 4 LEU H H 39 7.856 7.856 7.839 0.017 17579 7735 1 13 . 1 1 5 5 ASN N N 40 118.758 118.758 115.433 3.325 17579 7736 1 13 . 1 1 5 5 ASN HA H 40 3.994 3.994 4.211 -0.217 17579 7737 1 13 . 1 1 5 5 ASN C C 40 176.246 176.246 177.332 -1.086 17579 7738 1 13 . 1 1 5 5 ASN CA C 40 57.843 57.843 56.439 1.404 17579 7739 1 13 . 1 1 5 5 ASN CB C 40 40.430 40.430 38.069 2.361 17579 7740 1 13 . 1 1 5 5 ASN H H 40 9.241 9.241 8.089 1.152 17579 7741 1 13 . 1 1 6 6 LYS N N 41 115.665 115.665 119.961 -4.296 17579 7742 1 13 . 1 1 6 6 LYS HA H 41 3.929 3.929 3.969 -0.040 17579 7743 1 13 . 1 1 6 6 LYS C C 41 179.318 179.318 178.967 0.351 17579 7744 1 13 . 1 1 6 6 LYS CA C 41 60.130 60.130 59.361 0.769 17579 7745 1 13 . 1 1 6 6 LYS CB C 41 32.580 32.580 32.160 0.420 17579 7746 1 13 . 1 1 6 6 LYS H H 41 7.239 7.239 7.391 -0.152 17579 7747 1 13 . 1 1 7 7 LYS N N 42 119.038 119.038 119.571 -0.533 17579 7748 1 13 . 1 1 7 7 LYS HA H 42 4.037 4.037 4.050 -0.013 17579 7749 1 13 . 1 1 7 7 LYS C C 42 180.428 180.428 179.368 1.060 17579 7750 1 13 . 1 1 7 7 LYS CA C 42 60.178 60.178 59.114 1.064 17579 7751 1 13 . 1 1 7 7 LYS CB C 42 33.670 33.670 32.361 1.309 17579 7752 1 13 . 1 1 7 7 LYS H H 42 7.358 7.358 8.004 -0.646 17579 7753 1 13 . 1 1 8 8 VAL N N 43 122.489 122.489 119.239 3.250 17579 7754 1 13 . 1 1 8 8 VAL HA H 43 3.263 3.263 3.861 -0.598 17579 7755 1 13 . 1 1 8 8 VAL C C 43 177.823 177.823 178.236 -0.413 17579 7756 1 13 . 1 1 8 8 VAL CA C 43 67.836 67.836 66.336 1.500 17579 7757 1 13 . 1 1 8 8 VAL CB C 43 31.523 31.523 31.113 0.410 17579 7758 1 13 . 1 1 8 8 VAL H H 43 9.167 9.167 8.445 0.722 17579 7759 1 13 . 1 1 9 9 LEU N N 44 119.740 119.740 118.126 1.614 17579 7760 1 13 . 1 1 9 9 LEU HA H 44 3.964 3.964 4.106 -0.142 17579 7761 1 13 . 1 1 9 9 LEU C C 44 179.700 179.700 179.101 0.599 17579 7762 1 13 . 1 1 9 9 LEU CA C 44 58.742 58.742 58.228 0.514 17579 7763 1 13 . 1 1 9 9 LEU CB C 44 41.239 41.239 41.037 0.202 17579 7764 1 13 . 1 1 9 9 LEU H H 44 8.437 8.437 8.298 0.139 17579 7765 1 13 . 1 1 10 10 LYS N N 45 119.832 119.832 119.398 0.434 17579 7766 1 13 . 1 1 10 10 LYS HA H 45 4.013 4.013 4.125 -0.112 17579 7767 1 13 . 1 1 10 10 LYS C C 45 178.847 178.847 179.171 -0.324 17579 7768 1 13 . 1 1 10 10 LYS CA C 45 60.146 60.146 59.123 1.023 17579 7769 1 13 . 1 1 10 10 LYS CB C 45 32.583 32.583 31.566 1.018 17579 7770 1 13 . 1 1 10 10 LYS H H 45 7.857 7.857 8.292 -0.435 17579 7771 1 13 . 1 1 11 11 THR N N 46 116.695 116.695 117.269 -0.574 17579 7772 1 13 . 1 1 11 11 THR HA H 46 4.327 4.327 4.116 0.211 17579 7773 1 13 . 1 1 11 11 THR C C 46 176.211 176.211 176.746 -0.535 17579 7774 1 13 . 1 1 11 11 THR CA C 46 68.237 68.237 66.464 1.773 17579 7775 1 13 . 1 1 11 11 THR CB C 46 68.312 68.312 68.493 -0.181 17579 7776 1 13 . 1 1 11 11 THR H H 46 7.796 7.796 8.197 -0.401 17579 7777 1 13 . 1 1 12 12 VAL N N 47 122.013 122.013 122.053 -0.040 17579 7778 1 13 . 1 1 12 12 VAL HA H 47 3.235 3.235 3.517 -0.282 17579 7779 1 13 . 1 1 12 12 VAL C C 47 177.909 177.909 176.938 0.971 17579 7780 1 13 . 1 1 12 12 VAL CA C 47 67.838 67.838 65.441 2.397 17579 7781 1 13 . 1 1 12 12 VAL CB C 47 31.706 31.706 31.415 0.291 17579 7782 1 13 . 1 1 12 12 VAL H H 47 8.762 8.762 8.134 0.628 17579 7783 1 13 . 1 1 13 13 LYS N N 48 118.035 118.035 119.537 -1.502 17579 7784 1 13 . 1 1 13 13 LYS HA H 48 3.828 3.828 3.915 -0.087 17579 7785 1 13 . 1 1 13 13 LYS CA C 48 59.960 59.960 59.654 0.306 17579 7786 1 13 . 1 1 13 13 LYS CB C 48 32.837 32.837 32.299 0.538 17579 7787 1 13 . 1 1 13 13 LYS H H 48 7.492 7.492 7.953 -0.461 17579 7788 1 13 . 1 1 14 14 LYS N N 49 120.565 120.565 117.583 2.982 17579 7789 1 13 . 1 1 14 14 LYS HA H 49 3.952 3.952 4.021 -0.069 17579 7790 1 13 . 1 1 14 14 LYS C C 49 179.608 179.608 179.341 0.267 17579 7791 1 13 . 1 1 14 14 LYS CA C 49 59.950 59.950 58.879 1.071 17579 7792 1 13 . 1 1 14 14 LYS CB C 49 33.723 33.723 32.268 1.455 17579 7793 1 13 . 1 1 14 14 LYS H H 49 7.498 7.498 7.950 -0.452 17579 7794 1 13 . 1 1 15 15 ALA N N 50 122.192 122.192 122.356 -0.164 17579 7795 1 13 . 1 1 15 15 ALA HA H 50 3.467 3.467 3.751 -0.284 17579 7796 1 13 . 1 1 15 15 ALA C C 50 179.970 179.970 179.112 0.858 17579 7797 1 13 . 1 1 15 15 ALA CA C 50 54.950 54.950 54.387 0.563 17579 7798 1 13 . 1 1 15 15 ALA CB C 50 19.270 19.270 17.316 1.954 17579 7799 1 13 . 1 1 15 15 ALA H H 50 8.529 8.529 8.092 0.437 17579 7800 1 13 . 1 1 16 16 SER N N 51 116.624 116.624 112.326 4.298 17579 7801 1 13 . 1 1 16 16 SER HA H 51 4.696 4.696 4.108 0.588 17579 7802 1 13 . 1 1 16 16 SER C C 51 178.705 178.705 176.012 2.693 17579 7803 1 13 . 1 1 16 16 SER CA C 51 62.206 62.206 61.260 0.946 17579 7804 1 13 . 1 1 16 16 SER CB C 51 62.918 62.918 62.823 0.095 17579 7805 1 13 . 1 1 16 16 SER H H 51 8.542 8.542 7.862 0.680 17579 7806 1 13 . 1 1 17 17 LYS N N 52 124.866 124.866 118.740 6.126 17579 7807 1 13 . 1 1 17 17 LYS HA H 52 4.051 4.051 4.222 -0.171 17579 7808 1 13 . 1 1 17 17 LYS C C 52 177.563 177.563 177.175 0.388 17579 7809 1 13 . 1 1 17 17 LYS CA C 52 59.290 59.290 57.313 1.977 17579 7810 1 13 . 1 1 17 17 LYS CB C 52 32.104 32.104 32.586 -0.482 17579 7811 1 13 . 1 1 17 17 LYS H H 52 7.553 7.553 7.426 0.127 17579 7812 1 13 . 1 1 18 18 ALA N N 53 118.801 118.801 120.252 -1.451 17579 7813 1 13 . 1 1 18 18 ALA HA H 53 4.280 4.280 4.341 -0.061 17579 7814 1 13 . 1 1 18 18 ALA C C 53 175.253 175.253 176.230 -0.977 17579 7815 1 13 . 1 1 18 18 ALA CA C 53 52.222 52.222 51.201 1.021 17579 7816 1 13 . 1 1 18 18 ALA CB C 53 19.566 19.566 19.674 -0.108 17579 7817 1 13 . 1 1 18 18 ALA H H 53 7.092 7.092 7.541 -0.449 17579 7818 1 13 . 1 1 19 19 LYS N N 54 112.119 112.119 115.426 -3.307 17579 7819 1 13 . 1 1 19 19 LYS HA H 54 4.027 4.027 3.932 0.095 17579 7820 1 13 . 1 1 19 19 LYS C C 54 177.191 177.191 174.748 2.443 17579 7821 1 13 . 1 1 19 19 LYS CA C 54 57.435 57.435 57.089 0.346 17579 7822 1 13 . 1 1 19 19 LYS CB C 54 28.420 28.420 30.512 -2.092 17579 7823 1 13 . 1 1 19 19 LYS H H 54 7.644 7.644 7.666 -0.022 17579 7824 1 13 . 1 1 20 20 ASN N N 55 116.236 116.236 114.908 1.328 17579 7825 1 13 . 1 1 20 20 ASN HA H 55 5.090 5.090 4.879 0.211 17579 7826 1 13 . 1 1 20 20 ASN C C 55 173.176 173.176 174.221 -1.045 17579 7827 1 13 . 1 1 20 20 ASN CA C 55 51.617 51.617 53.110 -1.493 17579 7828 1 13 . 1 1 20 20 ASN CB C 55 40.642 40.642 41.041 -0.399 17579 7829 1 13 . 1 1 20 20 ASN H H 55 8.099 8.099 7.848 0.251 17579 7830 1 13 . 1 1 21 21 VAL N N 56 115.268 115.268 119.299 -4.031 17579 7831 1 13 . 1 1 21 21 VAL HA H 56 4.864 4.864 4.223 0.641 17579 7832 1 13 . 1 1 21 21 VAL C C 56 175.526 175.526 174.459 1.067 17579 7833 1 13 . 1 1 21 21 VAL CA C 56 61.314 61.314 60.614 0.700 17579 7834 1 13 . 1 1 21 21 VAL CB C 56 35.532 35.532 32.942 2.590 17579 7835 1 13 . 1 1 21 21 VAL H H 56 7.621 7.621 7.660 -0.039 17579 7836 1 13 . 1 1 22 22 LYS N N 57 126.903 126.903 128.697 -1.794 17579 7837 1 13 . 1 1 22 22 LYS HA H 57 4.682 4.682 4.720 -0.038 17579 7838 1 13 . 1 1 22 22 LYS C C 57 175.564 175.564 175.194 0.370 17579 7839 1 13 . 1 1 22 22 LYS CA C 57 54.694 54.694 54.712 -0.018 17579 7840 1 13 . 1 1 22 22 LYS CB C 57 33.975 33.975 34.151 -0.177 17579 7841 1 13 . 1 1 22 22 LYS H H 57 9.006 9.006 8.709 0.297 17579 7842 1 13 . 1 1 23 23 ARG N N 58 122.053 122.053 122.600 -0.547 17579 7843 1 13 . 1 1 23 23 ARG HA H 58 4.850 4.850 4.498 0.352 17579 7844 1 13 . 1 1 23 23 ARG C C 58 176.136 176.136 176.637 -0.501 17579 7845 1 13 . 1 1 23 23 ARG CA C 58 56.100 56.100 54.588 1.512 17579 7846 1 13 . 1 1 23 23 ARG CB C 58 33.752 33.752 31.132 2.620 17579 7847 1 13 . 1 1 23 23 ARG H H 58 8.994 8.994 8.765 0.229 17579 7848 1 13 . 1 1 24 24 GLY N N 59 110.836 110.836 110.734 0.102 17579 7849 1 13 . 1 1 24 24 GLY C C 59 173.053 173.053 174.123 -1.070 17579 7850 1 13 . 1 1 24 24 GLY CA C 59 45.028 45.028 44.508 0.520 17579 7851 1 13 . 1 1 24 24 GLY H H 59 8.205 8.205 8.723 -0.518 17579 7852 1 13 . 1 1 25 25 VAL N N 60 119.573 119.573 122.707 -3.134 17579 7853 1 13 . 1 1 25 25 VAL HA H 60 4.117 4.117 3.632 0.485 17579 7854 1 13 . 1 1 25 25 VAL C C 60 176.366 176.366 177.166 -0.800 17579 7855 1 13 . 1 1 25 25 VAL CA C 60 67.542 67.542 65.439 2.103 17579 7856 1 13 . 1 1 25 25 VAL CB C 60 32.147 32.147 31.753 0.394 17579 7857 1 13 . 1 1 25 25 VAL H H 60 8.219 8.219 8.473 -0.254 17579 7858 1 13 . 1 1 26 26 LYS N N 61 117.987 117.987 119.256 -1.269 17579 7859 1 13 . 1 1 26 26 LYS HA H 61 3.896 3.896 3.988 -0.092 17579 7860 1 13 . 1 1 26 26 LYS C C 61 180.230 180.230 178.242 1.988 17579 7861 1 13 . 1 1 26 26 LYS CA C 61 60.492 60.492 59.946 0.546 17579 7862 1 13 . 1 1 26 26 LYS CB C 61 32.356 32.356 32.014 0.342 17579 7863 1 13 . 1 1 26 26 LYS H H 61 8.112 8.112 8.439 -0.327 17579 7864 1 13 . 1 1 27 27 GLU N N 62 117.610 117.610 118.765 -1.155 17579 7865 1 13 . 1 1 27 27 GLU HA H 62 3.937 3.937 4.071 -0.134 17579 7866 1 13 . 1 1 27 27 GLU C C 62 180.103 180.103 179.137 0.966 17579 7867 1 13 . 1 1 27 27 GLU CA C 62 59.119 59.119 59.070 0.049 17579 7868 1 13 . 1 1 27 27 GLU CB C 62 30.052 30.052 28.956 1.096 17579 7869 1 13 . 1 1 27 27 GLU H H 62 8.493 8.493 8.436 0.057 17579 7870 1 13 . 1 1 28 28 VAL N N 63 120.585 120.585 121.316 -0.731 17579 7871 1 13 . 1 1 28 28 VAL HA H 63 3.478 3.478 3.888 -0.410 17579 7872 1 13 . 1 1 28 28 VAL C C 63 176.970 176.970 177.944 -0.974 17579 7873 1 13 . 1 1 28 28 VAL CA C 63 68.197 68.197 67.596 0.602 17579 7874 1 13 . 1 1 28 28 VAL CB C 63 31.632 31.632 32.034 -0.402 17579 7875 1 13 . 1 1 28 28 VAL H H 63 8.241 8.241 7.999 0.242 17579 7876 1 13 . 1 1 29 29 VAL N N 64 118.622 118.622 119.022 -0.400 17579 7877 1 13 . 1 1 29 29 VAL HA H 64 3.333 3.333 3.556 -0.223 17579 7878 1 13 . 1 1 29 29 VAL C C 64 177.709 177.709 177.600 0.109 17579 7879 1 13 . 1 1 29 29 VAL CA C 64 67.751 67.751 66.359 1.392 17579 7880 1 13 . 1 1 29 29 VAL CB C 64 31.553 31.553 31.560 -0.007 17579 7881 1 13 . 1 1 29 29 VAL H H 64 8.510 8.510 7.978 0.532 17579 7882 1 13 . 1 1 30 30 LYS N N 65 118.138 118.138 119.678 -1.540 17579 7883 1 13 . 1 1 30 30 LYS HA H 65 3.855 3.855 3.987 -0.132 17579 7884 1 13 . 1 1 30 30 LYS C C 65 178.693 178.693 178.533 0.160 17579 7885 1 13 . 1 1 30 30 LYS CA C 65 59.986 59.986 59.674 0.312 17579 7886 1 13 . 1 1 30 30 LYS CB C 65 32.800 32.800 32.337 0.463 17579 7887 1 13 . 1 1 30 30 LYS H H 65 7.533 7.533 8.148 -0.615 17579 7888 1 13 . 1 1 31 31 ALA N N 66 120.585 120.585 121.624 -1.039 17579 7889 1 13 . 1 1 31 31 ALA HA H 66 4.049 4.049 4.129 -0.080 17579 7890 1 13 . 1 1 31 31 ALA C C 66 179.745 179.745 179.363 0.382 17579 7891 1 13 . 1 1 31 31 ALA CA C 66 55.288 55.288 54.588 0.700 17579 7892 1 13 . 1 1 31 31 ALA CB C 66 19.207 19.207 18.213 0.994 17579 7893 1 13 . 1 1 31 31 ALA H H 66 7.489 7.489 8.013 -0.524 17579 7894 1 13 . 1 1 32 32 LEU N N 67 119.402 119.402 115.979 3.423 17579 7895 1 13 . 1 1 32 32 LEU HA H 67 3.976 3.976 4.216 -0.240 17579 7896 1 13 . 1 1 32 32 LEU C C 67 180.917 180.917 178.141 2.776 17579 7897 1 13 . 1 1 32 32 LEU CA C 67 58.115 58.115 57.069 1.046 17579 7898 1 13 . 1 1 32 32 LEU CB C 67 42.554 42.554 41.878 0.676 17579 7899 1 13 . 1 1 32 32 LEU H H 67 8.332 8.332 7.678 0.654 17579 7900 1 13 . 1 1 33 33 ARG N N 68 116.408 116.408 119.857 -3.449 17579 7901 1 13 . 1 1 33 33 ARG HA H 68 3.787 3.787 4.156 -0.369 17579 7902 1 13 . 1 1 33 33 ARG C C 68 178.472 178.472 177.811 0.661 17579 7903 1 13 . 1 1 33 33 ARG CA C 68 59.581 59.581 58.398 1.183 17579 7904 1 13 . 1 1 33 33 ARG CB C 68 29.946 29.946 30.549 -0.603 17579 7905 1 13 . 1 1 33 33 ARG H H 68 8.147 8.147 7.992 0.154 17579 7906 1 13 . 1 1 34 34 LYS N N 69 117.866 117.866 117.112 0.754 17579 7907 1 13 . 1 1 34 34 LYS HA H 69 4.232 4.232 4.248 -0.016 17579 7908 1 13 . 1 1 34 34 LYS C C 69 177.005 177.005 176.972 0.033 17579 7909 1 13 . 1 1 34 34 LYS CA C 69 56.788 56.788 56.678 0.110 17579 7910 1 13 . 1 1 34 34 LYS CB C 69 33.008 33.008 32.603 0.405 17579 7911 1 13 . 1 1 34 34 LYS H H 69 7.606 7.606 8.224 -0.618 17579 7912 1 13 . 1 1 35 35 GLY N N 70 106.799 106.799 105.705 1.094 17579 7913 1 13 . 1 1 35 35 GLY C C 70 175.547 175.547 174.123 1.424 17579 7914 1 13 . 1 1 35 35 GLY CA C 70 45.969 45.969 45.101 0.868 17579 7915 1 13 . 1 1 35 35 GLY H H 70 7.678 7.678 7.765 -0.087 17579 7916 1 13 . 1 1 36 36 GLU N N 71 119.492 119.492 121.518 -2.026 17579 7917 1 13 . 1 1 36 36 GLU HA H 71 4.199 4.199 4.366 -0.167 17579 7918 1 13 . 1 1 36 36 GLU C C 71 175.625 175.625 175.454 0.171 17579 7919 1 13 . 1 1 36 36 GLU CA C 71 57.696 57.696 54.875 2.821 17579 7920 1 13 . 1 1 36 36 GLU CB C 71 29.620 29.620 28.120 1.500 17579 7921 1 13 . 1 1 36 36 GLU H H 71 7.686 7.686 8.522 -0.836 17579 7922 1 13 . 1 1 37 37 LYS N N 72 118.433 118.433 121.879 -3.446 17579 7923 1 13 . 1 1 37 37 LYS HA H 72 4.863 4.863 4.473 0.390 17579 7924 1 13 . 1 1 37 37 LYS C C 72 175.983 175.983 176.204 -0.221 17579 7925 1 13 . 1 1 37 37 LYS CA C 72 54.299 54.299 54.523 -0.224 17579 7926 1 13 . 1 1 37 37 LYS CB C 72 35.140 35.140 33.875 1.265 17579 7927 1 13 . 1 1 37 37 LYS H H 72 8.202 8.202 7.670 0.532 17579 7928 1 13 . 1 1 38 38 GLY N N 73 104.719 104.719 107.458 -2.739 17579 7929 1 13 . 1 1 38 38 GLY C C 73 172.071 172.071 173.276 -1.205 17579 7930 1 13 . 1 1 38 38 GLY CA C 73 46.798 46.798 45.876 0.922 17579 7931 1 13 . 1 1 38 38 GLY H H 73 7.214 7.214 8.890 -1.676 17579 7932 1 13 . 1 1 39 39 LEU N N 74 125.471 125.471 122.103 3.368 17579 7933 1 13 . 1 1 39 39 LEU HA H 74 4.992 4.992 5.132 -0.140 17579 7934 1 13 . 1 1 39 39 LEU C C 74 174.651 174.651 174.819 -0.168 17579 7935 1 13 . 1 1 39 39 LEU CA C 74 54.686 54.686 54.737 -0.051 17579 7936 1 13 . 1 1 39 39 LEU CB C 74 47.360 47.360 46.220 1.140 17579 7937 1 13 . 1 1 39 39 LEU H H 74 8.930 8.930 8.185 0.745 17579 7938 1 13 . 1 1 40 40 VAL N N 75 130.975 130.975 127.059 3.916 17579 7939 1 13 . 1 1 40 40 VAL HA H 75 4.649 4.649 3.805 0.844 17579 7940 1 13 . 1 1 40 40 VAL C C 75 173.868 173.868 175.363 -1.495 17579 7941 1 13 . 1 1 40 40 VAL CA C 75 62.513 62.513 61.605 0.908 17579 7942 1 13 . 1 1 40 40 VAL CB C 75 32.856 32.856 30.319 2.537 17579 7943 1 13 . 1 1 40 40 VAL H H 75 8.549 8.549 8.843 -0.294 17579 7944 1 13 . 1 1 41 41 VAL N N 76 127.452 127.452 128.315 -0.863 17579 7945 1 13 . 1 1 41 41 VAL HA H 76 4.645 4.645 4.766 -0.121 17579 7946 1 13 . 1 1 41 41 VAL C C 76 173.931 173.931 175.549 -1.618 17579 7947 1 13 . 1 1 41 41 VAL CA C 76 61.015 61.015 61.567 -0.552 17579 7948 1 13 . 1 1 41 41 VAL CB C 76 33.844 33.844 31.612 2.232 17579 7949 1 13 . 1 1 41 41 VAL H H 76 8.754 8.754 8.938 -0.184 17579 7950 1 13 . 1 1 42 42 ILE N N 77 126.301 126.301 127.611 -1.310 17579 7951 1 13 . 1 1 42 42 ILE HA H 77 4.455 4.455 5.192 -0.737 17579 7952 1 13 . 1 1 42 42 ILE C C 77 174.965 174.965 174.913 0.052 17579 7953 1 13 . 1 1 42 42 ILE CA C 77 59.842 59.842 57.630 2.212 17579 7954 1 13 . 1 1 42 42 ILE CB C 77 40.257 40.257 41.215 -0.958 17579 7955 1 13 . 1 1 42 42 ILE H H 77 8.530 8.530 8.833 -0.303 17579 7956 1 13 . 1 1 43 43 ALA N N 78 128.716 128.716 127.533 1.183 17579 7957 1 13 . 1 1 43 43 ALA HA H 78 4.469 4.469 4.983 -0.514 17579 7958 1 13 . 1 1 43 43 ALA C C 78 177.979 177.979 179.215 -1.236 17579 7959 1 13 . 1 1 43 43 ALA CA C 78 52.398 52.398 50.925 1.473 17579 7960 1 13 . 1 1 43 43 ALA CB C 78 19.600 19.600 19.144 0.456 17579 7961 1 13 . 1 1 43 43 ALA H H 78 8.538 8.538 8.331 0.207 17579 7962 1 13 . 1 1 44 44 GLY N N 79 104.343 104.343 111.835 -7.492 17579 7963 1 13 . 1 1 44 44 GLY C C 79 173.472 173.472 174.567 -1.095 17579 7964 1 13 . 1 1 44 44 GLY CA C 79 46.239 46.239 47.302 -1.063 17579 7965 1 13 . 1 1 44 44 GLY H H 79 9.090 9.090 8.395 0.695 17579 7966 1 13 . 1 1 45 45 ASP N N 80 118.154 118.154 119.176 -1.022 17579 7967 1 13 . 1 1 45 45 ASP HA H 80 4.855 4.855 4.687 0.168 17579 7968 1 13 . 1 1 45 45 ASP C C 80 176.500 176.500 175.611 0.889 17579 7969 1 13 . 1 1 45 45 ASP CA C 80 52.804 52.804 53.995 -1.191 17579 7970 1 13 . 1 1 45 45 ASP CB C 80 39.410 39.410 42.039 -2.629 17579 7971 1 13 . 1 1 45 45 ASP H H 80 8.603 8.603 8.560 0.043 17579 7972 1 13 . 1 1 46 46 ILE N N 81 118.477 118.477 121.081 -2.604 17579 7973 1 13 . 1 1 46 46 ILE HA H 81 4.073 4.073 4.389 -0.316 17579 7974 1 13 . 1 1 46 46 ILE C C 81 173.822 173.822 173.527 0.295 17579 7975 1 13 . 1 1 46 46 ILE CA C 81 59.882 59.882 60.787 -0.905 17579 7976 1 13 . 1 1 46 46 ILE CB C 81 39.136 39.136 40.619 -1.483 17579 7977 1 13 . 1 1 46 46 ILE H H 81 6.846 6.846 7.511 -0.665 17579 7978 1 13 . 1 1 47 47 SER N N 82 117.552 117.552 120.561 -3.009 17579 7979 1 13 . 1 1 47 47 SER HA H 82 4.628 4.628 4.768 -0.140 17579 7980 1 13 . 1 1 47 47 SER C C 82 176.920 176.920 172.397 4.523 17579 7981 1 13 . 1 1 47 47 SER CA C 82 55.444 55.444 55.901 -0.457 17579 7982 1 13 . 1 1 47 47 SER CB C 82 65.268 65.268 64.885 0.383 17579 7983 1 13 . 1 1 47 47 SER H H 82 7.774 7.774 8.300 -0.526 17579 7984 1 13 . 1 1 48 48 PRO HA H 83 4.259 4.259 4.571 -0.312 17579 7985 1 13 . 1 1 48 48 PRO CA C 83 62.312 62.312 62.791 -0.479 17579 7986 1 13 . 1 1 48 48 PRO CB C 83 30.564 30.564 32.074 -1.510 17579 7987 1 13 . 1 1 49 49 ALA N N 84 122.207 122.207 120.242 1.965 17579 7988 1 13 . 1 1 49 49 ALA HA H 84 3.978 3.978 4.240 -0.262 17579 7989 1 13 . 1 1 49 49 ALA C C 84 178.699 178.699 178.644 0.055 17579 7990 1 13 . 1 1 49 49 ALA CA C 84 54.704 54.704 53.782 0.922 17579 7991 1 13 . 1 1 49 49 ALA CB C 84 19.393 19.393 19.083 0.310 17579 7992 1 13 . 1 1 49 49 ALA H H 84 8.091 8.091 8.319 -0.228 17579 7993 1 13 . 1 1 50 50 ASP N N 85 113.440 113.440 118.609 -5.169 17579 7994 1 13 . 1 1 50 50 ASP HA H 85 4.338 4.338 4.556 -0.218 17579 7995 1 13 . 1 1 50 50 ASP C C 85 177.723 177.723 178.034 -0.311 17579 7996 1 13 . 1 1 50 50 ASP CA C 85 56.203 56.203 55.758 0.445 17579 7997 1 13 . 1 1 50 50 ASP CB C 85 40.562 40.562 40.439 0.123 17579 7998 1 13 . 1 1 50 50 ASP H H 85 8.148 8.148 8.655 -0.507 17579 7999 1 13 . 1 1 51 51 VAL N N 86 116.604 116.604 121.489 -4.885 17579 8000 1 13 . 1 1 51 51 VAL HA H 86 3.925 3.925 3.735 0.190 17579 8001 1 13 . 1 1 51 51 VAL C C 86 176.966 176.966 176.604 0.362 17579 8002 1 13 . 1 1 51 51 VAL CA C 86 65.241 65.241 65.564 -0.323 17579 8003 1 13 . 1 1 51 51 VAL CB C 86 32.467 32.467 32.043 0.424 17579 8004 1 13 . 1 1 51 51 VAL H H 86 7.538 7.538 7.387 0.151 17579 8005 1 13 . 1 1 52 52 ILE N N 87 108.211 108.211 118.651 -10.440 17579 8006 1 13 . 1 1 52 52 ILE HA H 87 4.565 4.565 4.025 0.540 17579 8007 1 13 . 1 1 52 52 ILE C C 87 178.116 178.116 176.294 1.822 17579 8008 1 13 . 1 1 52 52 ILE CA C 87 60.165 60.165 61.491 -1.326 17579 8009 1 13 . 1 1 52 52 ILE CB C 87 41.048 41.048 37.947 3.101 17579 8010 1 13 . 1 1 52 52 ILE H H 87 7.283 7.283 7.783 -0.500 17579 8011 1 13 . 1 1 53 53 SER N N 88 116.088 116.088 113.552 2.536 17579 8012 1 13 . 1 1 53 53 SER HA H 88 4.538 4.538 4.482 0.056 17579 8013 1 13 . 1 1 53 53 SER CA C 88 61.852 61.852 58.672 3.179 17579 8014 1 13 . 1 1 53 53 SER CB C 88 62.604 62.604 64.547 -1.943 17579 8015 1 13 . 1 1 53 53 SER H H 88 7.845 7.845 8.055 -0.210 17579 8016 1 13 . 1 1 54 54 HIS N N 89 121.004 121.004 120.648 0.356 17579 8017 1 13 . 1 1 54 54 HIS HA H 89 4.590 4.590 4.699 -0.109 17579 8018 1 13 . 1 1 54 54 HIS C C 89 176.530 176.530 176.352 0.178 17579 8019 1 13 . 1 1 54 54 HIS CA C 89 56.554 56.554 57.459 -0.905 17579 8020 1 13 . 1 1 54 54 HIS CB C 89 33.261 33.261 32.028 1.233 17579 8021 1 13 . 1 1 54 54 HIS H H 89 8.450 8.450 7.870 0.580 17579 8022 1 13 . 1 1 55 55 ILE N N 90 123.909 123.909 122.266 1.643 17579 8023 1 13 . 1 1 55 55 ILE HA H 90 4.583 4.583 3.510 1.073 17579 8024 1 13 . 1 1 55 55 ILE CA C 90 62.230 62.230 65.744 -3.514 17579 8025 1 13 . 1 1 55 55 ILE CB C 90 42.418 42.418 34.971 7.447 17579 8026 1 13 . 1 1 55 55 ILE H H 90 8.142 8.142 8.311 -0.169 17579 8027 1 13 . 1 1 56 56 PRO HA H 91 2.974 2.974 4.235 -1.261 17579 8028 1 13 . 1 1 56 56 PRO C C 91 177.132 177.132 179.063 -1.931 17579 8029 1 13 . 1 1 56 56 PRO CA C 91 66.917 66.917 66.033 0.884 17579 8030 1 13 . 1 1 56 56 PRO CB C 91 31.519 31.519 31.037 0.482 17579 8031 1 13 . 1 1 57 57 VAL N N 92 114.761 114.761 118.738 -3.977 17579 8032 1 13 . 1 1 57 57 VAL HA H 92 3.570 3.570 3.745 -0.175 17579 8033 1 13 . 1 1 57 57 VAL C C 92 177.995 177.995 177.776 0.219 17579 8034 1 13 . 1 1 57 57 VAL CA C 92 66.358 66.358 66.154 0.204 17579 8035 1 13 . 1 1 57 57 VAL CB C 92 31.694 31.694 31.906 -0.212 17579 8036 1 13 . 1 1 57 57 VAL H H 92 6.505 6.505 7.534 -1.029 17579 8037 1 13 . 1 1 58 58 LEU N N 93 120.572 120.572 118.933 1.639 17579 8038 1 13 . 1 1 58 58 LEU HA H 93 4.200 4.200 4.110 0.090 17579 8039 1 13 . 1 1 58 58 LEU C C 93 180.452 180.452 178.369 2.083 17579 8040 1 13 . 1 1 58 58 LEU CA C 93 57.938 57.938 57.876 0.062 17579 8041 1 13 . 1 1 58 58 LEU CB C 93 43.394 43.394 40.924 2.470 17579 8042 1 13 . 1 1 58 58 LEU H H 93 7.432 7.432 8.171 -0.739 17579 8043 1 13 . 1 1 59 59 CYS N N 94 117.330 117.330 118.765 -1.435 17579 8044 1 13 . 1 1 59 59 CYS HA H 94 3.827 3.827 4.116 -0.289 17579 8045 1 13 . 1 1 59 59 CYS C C 94 177.986 177.986 176.298 1.688 17579 8046 1 13 . 1 1 59 59 CYS CA C 94 65.483 65.483 63.269 2.214 17579 8047 1 13 . 1 1 59 59 CYS CB C 94 26.552 26.552 27.403 -0.851 17579 8048 1 13 . 1 1 59 59 CYS H H 94 8.423 8.423 8.050 0.373 17579 8049 1 13 . 1 1 60 60 GLU N N 95 120.766 120.766 119.643 1.123 17579 8050 1 13 . 1 1 60 60 GLU HA H 95 3.512 3.512 4.131 -0.619 17579 8051 1 13 . 1 1 60 60 GLU C C 95 180.736 180.736 177.395 3.341 17579 8052 1 13 . 1 1 60 60 GLU CA C 95 59.909 59.909 58.652 1.257 17579 8053 1 13 . 1 1 60 60 GLU CB C 95 29.108 29.108 29.528 -0.420 17579 8054 1 13 . 1 1 60 60 GLU H H 95 8.237 8.237 7.964 0.273 17579 8055 1 13 . 1 1 61 61 ASP N N 96 120.591 120.591 118.750 1.841 17579 8056 1 13 . 1 1 61 61 ASP HA H 96 4.311 4.311 4.592 -0.281 17579 8057 1 13 . 1 1 61 61 ASP C C 96 178.004 178.004 177.773 0.231 17579 8058 1 13 . 1 1 61 61 ASP CA C 96 57.549 57.549 56.173 1.376 17579 8059 1 13 . 1 1 61 61 ASP CB C 96 41.083 41.083 41.378 -0.295 17579 8060 1 13 . 1 1 61 61 ASP H H 96 8.345 8.345 7.963 0.382 17579 8061 1 13 . 1 1 62 62 HIS N N 97 115.844 115.844 115.506 0.338 17579 8062 1 13 . 1 1 62 62 HIS HA H 97 4.575 4.575 4.830 -0.255 17579 8063 1 13 . 1 1 62 62 HIS C C 97 173.728 173.728 174.300 -0.572 17579 8064 1 13 . 1 1 62 62 HIS CA C 97 57.418 57.418 55.965 1.453 17579 8065 1 13 . 1 1 62 62 HIS CB C 97 30.067 30.067 32.570 -2.503 17579 8066 1 13 . 1 1 62 62 HIS H H 97 7.663 7.663 8.045 -0.382 17579 8067 1 13 . 1 1 63 63 SER N N 98 114.813 114.813 115.411 -0.598 17579 8068 1 13 . 1 1 63 63 SER HA H 98 4.097 4.097 4.162 -0.065 17579 8069 1 13 . 1 1 63 63 SER C C 98 173.789 173.789 173.000 0.789 17579 8070 1 13 . 1 1 63 63 SER CA C 98 59.255 59.255 59.090 0.165 17579 8071 1 13 . 1 1 63 63 SER CB C 98 61.602 61.602 61.916 -0.314 17579 8072 1 13 . 1 1 63 63 SER H H 98 7.861 7.861 8.188 -0.327 17579 8073 1 13 . 1 1 64 64 VAL N N 99 123.227 123.227 121.159 2.068 17579 8074 1 13 . 1 1 64 64 VAL HA H 99 4.157 4.157 4.550 -0.393 17579 8075 1 13 . 1 1 64 64 VAL C C 99 174.345 174.345 174.416 -0.071 17579 8076 1 13 . 1 1 64 64 VAL CA C 99 58.923 58.923 58.970 -0.047 17579 8077 1 13 . 1 1 64 64 VAL CB C 99 35.133 35.133 35.082 0.051 17579 8078 1 13 . 1 1 64 64 VAL H H 99 8.603 8.603 8.350 0.253 17579 8079 1 13 . 1 1 65 65 PRO HA H 100 4.260 4.260 4.693 -0.433 17579 8080 1 13 . 1 1 65 65 PRO C C 100 173.335 173.335 175.337 -2.002 17579 8081 1 13 . 1 1 65 65 PRO CA C 100 63.165 63.165 62.895 0.270 17579 8082 1 13 . 1 1 65 65 PRO CB C 100 32.083 32.083 29.633 2.450 17579 8083 1 13 . 1 1 66 66 TYR N N 101 114.840 114.840 124.488 -9.648 17579 8084 1 13 . 1 1 66 66 TYR HA H 101 5.900 5.900 4.767 1.133 17579 8085 1 13 . 1 1 66 66 TYR C C 101 170.503 170.503 173.536 -3.033 17579 8086 1 13 . 1 1 66 66 TYR CA C 101 53.986 53.986 56.069 -2.083 17579 8087 1 13 . 1 1 66 66 TYR CB C 101 41.998 41.998 40.695 1.303 17579 8088 1 13 . 1 1 66 66 TYR H H 101 6.219 6.219 8.097 -1.878 17579 8089 1 13 . 1 1 67 67 ILE N N 102 112.118 112.118 127.122 -15.004 17579 8090 1 13 . 1 1 67 67 ILE HA H 102 4.488 4.488 4.167 0.321 17579 8091 1 13 . 1 1 67 67 ILE C C 102 171.963 171.963 173.322 -1.359 17579 8092 1 13 . 1 1 67 67 ILE CA C 102 55.343 55.343 58.654 -3.311 17579 8093 1 13 . 1 1 67 67 ILE CB C 102 43.317 43.317 42.006 1.311 17579 8094 1 13 . 1 1 67 67 ILE H H 102 7.954 7.954 8.718 -0.764 17579 8095 1 13 . 1 1 68 68 PHE N N 103 122.272 122.272 124.397 -2.125 17579 8096 1 13 . 1 1 68 68 PHE HA H 103 5.945 5.945 5.236 0.709 17579 8097 1 13 . 1 1 68 68 PHE C C 103 176.374 176.374 174.003 2.371 17579 8098 1 13 . 1 1 68 68 PHE CA C 103 56.520 56.520 54.941 1.579 17579 8099 1 13 . 1 1 68 68 PHE CB C 103 40.518 40.518 41.241 -0.723 17579 8100 1 13 . 1 1 68 68 PHE H H 103 8.087 8.087 8.090 -0.003 17579 8101 1 13 . 1 1 69 69 ILE N N 104 114.672 114.672 116.131 -1.459 17579 8102 1 13 . 1 1 69 69 ILE HA H 104 2.991 2.991 4.529 -1.538 17579 8103 1 13 . 1 1 69 69 ILE C C 104 175.387 175.387 173.884 1.503 17579 8104 1 13 . 1 1 69 69 ILE CA C 104 57.903 57.903 58.072 -0.169 17579 8105 1 13 . 1 1 69 69 ILE CB C 104 38.207 38.207 40.136 -1.929 17579 8106 1 13 . 1 1 69 69 ILE H H 104 8.847 8.847 9.172 -0.325 17579 8107 1 13 . 1 1 70 70 PRO HA H 105 3.918 3.918 4.795 -0.877 17579 8108 1 13 . 1 1 70 70 PRO C C 105 177.442 177.442 175.957 1.485 17579 8109 1 13 . 1 1 70 70 PRO CA C 105 64.823 64.823 63.112 1.710 17579 8110 1 13 . 1 1 70 70 PRO CB C 105 35.906 35.906 30.640 5.266 17579 8111 1 13 . 1 1 71 71 SER N N 106 113.113 113.113 118.832 -5.719 17579 8112 1 13 . 1 1 71 71 SER HA H 106 4.261 4.261 4.645 -0.384 17579 8113 1 13 . 1 1 71 71 SER C C 106 175.111 175.111 174.763 0.348 17579 8114 1 13 . 1 1 71 71 SER CA C 106 60.111 60.111 57.899 2.212 17579 8115 1 13 . 1 1 71 71 SER CB C 106 63.687 63.687 64.561 -0.874 17579 8116 1 13 . 1 1 71 71 SER H H 106 7.904 7.904 8.157 -0.253 17579 8117 1 13 . 1 1 72 72 LYS N N 107 119.830 119.830 127.834 -8.004 17579 8118 1 13 . 1 1 72 72 LYS HA H 107 4.187 4.187 3.882 0.305 17579 8119 1 13 . 1 1 72 72 LYS CA C 107 58.783 58.783 60.752 -1.970 17579 8120 1 13 . 1 1 72 72 LYS CB C 107 30.951 30.951 32.528 -1.577 17579 8121 1 13 . 1 1 72 72 LYS H H 107 8.314 8.314 8.817 -0.503 17579 8122 1 13 . 1 1 73 73 GLN N N 108 123.860 123.860 117.135 6.725 17579 8123 1 13 . 1 1 73 73 GLN HA H 108 4.001 4.001 4.035 -0.034 17579 8124 1 13 . 1 1 73 73 GLN CA C 108 58.831 58.831 59.080 -0.249 17579 8125 1 13 . 1 1 73 73 GLN CB C 108 28.451 28.451 28.241 0.210 17579 8126 1 13 . 1 1 73 73 GLN H H 108 8.510 8.510 8.638 -0.128 17579 8127 1 13 . 1 1 74 74 ASP N N 109 121.145 121.145 121.062 0.083 17579 8128 1 13 . 1 1 74 74 ASP HA H 109 4.389 4.389 4.469 -0.080 17579 8129 1 13 . 1 1 74 74 ASP C C 109 178.552 178.552 178.307 0.245 17579 8130 1 13 . 1 1 74 74 ASP H H 109 7.966 7.966 7.728 0.238 17579 8131 1 13 . 1 1 75 75 LEU N N 110 121.098 121.098 120.729 0.369 17579 8132 1 13 . 1 1 75 75 LEU HA H 110 3.955 3.955 4.094 -0.139 17579 8133 1 13 . 1 1 75 75 LEU C C 110 178.953 178.953 179.528 -0.575 17579 8134 1 13 . 1 1 75 75 LEU CA C 110 56.538 56.538 57.677 -1.139 17579 8135 1 13 . 1 1 75 75 LEU CB C 110 40.845 40.845 41.429 -0.584 17579 8136 1 13 . 1 1 75 75 LEU H H 110 7.932 7.932 8.298 -0.366 17579 8137 1 13 . 1 1 76 76 GLY N N 111 105.659 105.659 106.394 -0.735 17579 8138 1 13 . 1 1 76 76 GLY C C 111 175.510 175.510 175.767 -0.257 17579 8139 1 13 . 1 1 76 76 GLY CA C 111 47.037 47.037 46.267 0.770 17579 8140 1 13 . 1 1 76 76 GLY H H 111 8.006 8.006 8.507 -0.501 17579 8141 1 13 . 1 1 77 77 ALA N N 112 122.987 122.987 124.440 -1.453 17579 8142 1 13 . 1 1 77 77 ALA HA H 112 4.112 4.112 4.137 -0.025 17579 8143 1 13 . 1 1 77 77 ALA C C 112 179.350 179.350 178.539 0.811 17579 8144 1 13 . 1 1 77 77 ALA CA C 112 53.930 53.930 54.571 -0.641 17579 8145 1 13 . 1 1 77 77 ALA CB C 112 18.727 18.727 18.336 0.391 17579 8146 1 13 . 1 1 77 77 ALA H H 112 7.824 7.824 7.871 -0.047 17579 8147 1 13 . 1 1 78 78 ALA N N 113 121.466 121.466 118.695 2.771 17579 8148 1 13 . 1 1 78 78 ALA HA H 113 4.189 4.189 4.338 -0.149 17579 8149 1 13 . 1 1 78 78 ALA C C 113 177.368 177.368 179.025 -1.657 17579 8150 1 13 . 1 1 78 78 ALA CA C 113 53.750 53.750 53.189 0.561 17579 8151 1 13 . 1 1 78 78 ALA CB C 113 19.231 19.231 19.395 -0.164 17579 8152 1 13 . 1 1 78 78 ALA H H 113 7.785 7.785 7.956 -0.171 17579 8153 1 13 . 1 1 79 79 GLY N N 114 104.016 104.016 106.718 -2.702 17579 8154 1 13 . 1 1 79 79 GLY CA C 114 45.256 45.256 45.950 -0.694 17579 8155 1 13 . 1 1 79 79 GLY H H 114 7.742 7.742 8.028 -0.286 17579 8156 1 13 . 1 1 80 80 ALA HA H 115 4.100 4.100 4.596 -0.496 17579 8157 1 13 . 1 1 80 80 ALA C C 115 176.526 176.526 176.689 -0.163 17579 8158 1 13 . 1 1 80 80 ALA CA C 115 53.482 53.482 52.279 1.203 17579 8159 1 13 . 1 1 80 80 ALA CB C 115 19.825 19.825 19.629 0.196 17579 8160 1 13 . 1 1 81 81 THR N N 116 116.236 116.236 115.882 0.354 17579 8161 1 13 . 1 1 81 81 THR HA H 116 4.718 4.718 3.924 0.794 17579 8162 1 13 . 1 1 81 81 THR CA C 116 57.275 57.275 64.825 -7.550 17579 8163 1 13 . 1 1 81 81 THR CB C 116 64.878 64.878 68.940 -4.062 17579 8164 1 13 . 1 1 81 81 THR H H 116 8.068 8.068 8.497 -0.429 17579 8165 1 13 . 1 1 84 84 PRO HA H 119 4.072 4.072 4.509 -0.437 17579 8166 1 13 . 1 1 84 84 PRO CB C 119 32.154 32.154 32.136 0.018 17579 8167 1 13 . 1 1 85 85 THR N N 120 119.680 119.680 112.770 6.910 17579 8168 1 13 . 1 1 85 85 THR C C 120 175.333 175.333 173.747 1.586 17579 8169 1 13 . 1 1 85 85 THR CB C 120 71.769 71.769 72.492 -0.723 17579 8170 1 13 . 1 1 85 85 THR H H 120 8.002 8.002 8.349 -0.347 17579 8171 1 13 . 1 1 86 86 SER N N 121 115.589 115.589 116.368 -0.779 17579 8172 1 13 . 1 1 86 86 SER HA H 121 4.325 4.325 4.661 -0.336 17579 8173 1 13 . 1 1 86 86 SER C C 121 172.929 172.929 173.441 -0.512 17579 8174 1 13 . 1 1 86 86 SER CA C 121 59.722 59.722 58.973 0.749 17579 8175 1 13 . 1 1 86 86 SER CB C 121 64.608 64.608 64.422 0.186 17579 8176 1 13 . 1 1 86 86 SER H H 121 7.335 7.335 8.598 -1.263 17579 8177 1 13 . 1 1 87 87 VAL N N 122 116.044 116.044 118.572 -2.528 17579 8178 1 13 . 1 1 87 87 VAL HA H 122 5.200 5.200 4.862 0.338 17579 8179 1 13 . 1 1 87 87 VAL C C 122 172.465 172.465 173.885 -1.420 17579 8180 1 13 . 1 1 87 87 VAL CA C 122 59.819 59.819 60.280 -0.461 17579 8181 1 13 . 1 1 87 87 VAL CB C 122 33.368 33.368 33.466 -0.098 17579 8182 1 13 . 1 1 87 87 VAL H H 122 7.152 7.152 7.462 -0.310 17579 8183 1 13 . 1 1 88 88 VAL N N 123 119.350 119.350 126.371 -7.021 17579 8184 1 13 . 1 1 88 88 VAL HA H 123 5.091 5.091 4.754 0.337 17579 8185 1 13 . 1 1 88 88 VAL C C 123 173.214 173.214 172.952 0.262 17579 8186 1 13 . 1 1 88 88 VAL CA C 123 59.219 59.219 60.691 -1.472 17579 8187 1 13 . 1 1 88 88 VAL CB C 123 36.362 36.362 35.989 0.373 17579 8188 1 13 . 1 1 88 88 VAL H H 123 8.851 8.851 8.643 0.208 17579 8189 1 13 . 1 1 89 89 PHE N N 124 122.568 122.568 129.316 -6.748 17579 8190 1 13 . 1 1 89 89 PHE HA H 124 5.613 5.613 5.316 0.297 17579 8191 1 13 . 1 1 89 89 PHE C C 124 174.887 174.887 174.840 0.047 17579 8192 1 13 . 1 1 89 89 PHE CA C 124 52.961 52.961 55.620 -2.659 17579 8193 1 13 . 1 1 89 89 PHE CB C 124 42.788 42.788 41.592 1.196 17579 8194 1 13 . 1 1 89 89 PHE H H 124 9.051 9.051 9.153 -0.102 17579 8195 1 13 . 1 1 90 90 ILE N N 125 127.707 127.707 127.287 0.420 17579 8196 1 13 . 1 1 90 90 ILE HA H 125 4.264 4.264 4.386 -0.122 17579 8197 1 13 . 1 1 90 90 ILE C C 125 173.870 173.870 175.401 -1.531 17579 8198 1 13 . 1 1 90 90 ILE CA C 125 61.789 61.789 59.685 2.104 17579 8199 1 13 . 1 1 90 90 ILE CB C 125 39.785 39.785 38.141 1.644 17579 8200 1 13 . 1 1 90 90 ILE H H 125 9.477 9.477 9.320 0.157 17579 8201 1 13 . 1 1 91 91 VAL N N 126 126.579 126.579 120.476 6.103 17579 8202 1 13 . 1 1 91 91 VAL HA H 126 4.566 4.566 4.839 -0.273 17579 8203 1 13 . 1 1 91 91 VAL C C 126 173.829 173.829 173.642 0.187 17579 8204 1 13 . 1 1 91 91 VAL CA C 126 58.701 58.701 58.169 0.532 17579 8205 1 13 . 1 1 91 91 VAL CB C 126 32.989 32.989 33.873 -0.884 17579 8206 1 13 . 1 1 91 91 VAL H H 126 8.149 8.149 8.747 -0.598 17579 8207 1 13 . 1 1 92 92 PRO HA H 127 4.035 4.035 4.768 -0.733 17579 8208 1 13 . 1 1 92 92 PRO C C 127 177.766 177.766 177.009 0.757 17579 8209 1 13 . 1 1 92 92 PRO CA C 127 63.684 63.684 62.615 1.069 17579 8210 1 13 . 1 1 92 92 PRO CB C 127 32.178 32.178 32.839 -0.660 17579 8211 1 13 . 1 1 93 93 GLY N N 128 108.618 108.618 109.636 -1.018 17579 8212 1 13 . 1 1 93 93 GLY CA C 128 45.787 45.787 46.128 -0.341 17579 8213 1 13 . 1 1 93 93 GLY H H 128 7.970 7.970 8.375 -0.405 17579 8214 1 13 . 1 1 94 94 SER N N 129 113.620 113.620 112.316 1.304 17579 8215 1 13 . 1 1 94 94 SER HA H 129 4.317 4.317 4.504 -0.187 17579 8216 1 13 . 1 1 94 94 SER C C 129 180.379 180.379 174.131 6.248 17579 8217 1 13 . 1 1 94 94 SER CA C 129 58.566 58.566 57.106 1.460 17579 8218 1 13 . 1 1 94 94 SER H H 129 7.952 7.952 7.680 0.272 17579 8219 1 13 . 1 1 95 95 ASN N N 130 120.775 120.775 119.435 1.340 17579 8220 1 13 . 1 1 95 95 ASN HA H 130 3.964 3.964 4.503 -0.539 17579 8221 1 13 . 1 1 95 95 ASN C C 130 178.664 178.664 176.188 2.476 17579 8222 1 13 . 1 1 95 95 ASN CA C 130 57.689 57.689 56.102 1.587 17579 8223 1 13 . 1 1 95 95 ASN CB C 130 42.288 42.288 38.122 4.166 17579 8224 1 13 . 1 1 95 95 ASN H H 130 8.300 8.300 8.898 -0.598 17579 8225 1 13 . 1 1 96 96 LYS N N 131 119.316 119.316 118.740 0.576 17579 8226 1 13 . 1 1 96 96 LYS HA H 131 4.095 4.095 4.257 -0.162 17579 8227 1 13 . 1 1 96 96 LYS C C 131 178.290 178.290 179.138 -0.848 17579 8228 1 13 . 1 1 96 96 LYS CA C 131 59.062 59.062 58.055 1.007 17579 8229 1 13 . 1 1 96 96 LYS CB C 131 29.745 29.745 32.634 -2.889 17579 8230 1 13 . 1 1 96 96 LYS H H 131 7.896 7.896 7.600 0.296 17579 8231 1 13 . 1 1 97 97 LYS N N 132 117.523 117.523 119.590 -2.067 17579 8232 1 13 . 1 1 97 97 LYS C C 132 176.927 176.927 178.967 -2.040 17579 8233 1 13 . 1 1 97 97 LYS CA C 132 58.555 58.555 57.956 0.599 17579 8234 1 13 . 1 1 97 97 LYS CB C 132 30.578 30.578 31.779 -1.201 17579 8235 1 13 . 1 1 97 97 LYS H H 132 7.791 7.791 8.315 -0.524 17579 8236 1 13 . 1 1 98 98 LYS HA H 133 4.236 4.236 4.086 0.150 17579 8237 1 13 . 1 1 98 98 LYS C C 133 176.606 176.606 177.200 -0.594 17579 8238 1 13 . 1 1 98 98 LYS CA C 133 57.225 57.225 58.655 -1.430 17579 8239 1 13 . 1 1 98 98 LYS CB C 133 33.151 33.151 32.374 0.777 17579 8240 1 13 . 1 1 99 99 ASP N N 134 120.311 120.311 117.051 3.260 17579 8241 1 13 . 1 1 99 99 ASP HA H 134 4.584 4.584 4.854 -0.270 17579 8242 1 13 . 1 1 99 99 ASP C C 134 176.899 176.899 176.403 0.496 17579 8243 1 13 . 1 1 99 99 ASP CA C 134 54.402 54.402 52.985 1.417 17579 8244 1 13 . 1 1 99 99 ASP CB C 134 41.568 41.568 41.809 -0.241 17579 8245 1 13 . 1 1 99 99 ASP H H 134 8.267 8.267 7.621 0.646 17579 8246 1 13 . 1 1 100 100 GLY N N 135 108.751 108.751 108.892 -0.141 17579 8247 1 13 . 1 1 100 100 GLY C C 135 174.683 174.683 174.540 0.143 17579 8248 1 13 . 1 1 100 100 GLY CA C 135 45.985 45.985 44.543 1.442 17579 8249 1 13 . 1 1 100 100 GLY H H 135 8.235 8.235 7.914 0.321 17579 8250 1 13 . 1 1 101 101 LYS N N 136 120.306 120.306 118.776 1.530 17579 8251 1 13 . 1 1 101 101 LYS HA H 136 4.279 4.279 4.528 -0.249 17579 8252 1 13 . 1 1 101 101 LYS C C 136 175.145 175.145 176.410 -1.265 17579 8253 1 13 . 1 1 101 101 LYS CA C 136 56.875 56.875 55.567 1.308 17579 8254 1 13 . 1 1 101 101 LYS CB C 136 32.987 32.987 32.208 0.779 17579 8255 1 13 . 1 1 101 101 LYS H H 136 8.148 8.148 8.586 -0.438 17579 8256 1 13 . 1 1 102 102 ASN N N 137 118.958 118.958 120.152 -1.194 17579 8257 1 13 . 1 1 102 102 ASN HA H 137 4.707 4.707 4.823 -0.116 17579 8258 1 13 . 1 1 102 102 ASN C C 137 175.849 175.849 174.087 1.762 17579 8259 1 13 . 1 1 102 102 ASN CA C 137 53.816 53.816 52.617 1.199 17579 8260 1 13 . 1 1 102 102 ASN CB C 137 39.070 39.070 37.543 1.527 17579 8261 1 13 . 1 1 102 102 ASN H H 137 8.406 8.406 8.319 0.087 17579 8262 1 13 . 1 1 103 103 LYS N N 138 121.782 121.782 115.604 6.178 17579 8263 1 13 . 1 1 103 103 LYS HA H 138 4.255 4.255 3.951 0.304 17579 8264 1 13 . 1 1 103 103 LYS CA C 138 56.641 56.641 57.161 -0.520 17579 8265 1 13 . 1 1 103 103 LYS CB C 138 32.911 32.911 30.704 2.207 17579 8266 1 13 . 1 1 103 103 LYS H H 138 8.316 8.316 7.650 0.666 17579 8267 1 13 . 1 1 104 104 GLU N N 139 121.053 121.053 118.814 2.239 17579 8268 1 13 . 1 1 104 104 GLU CA C 139 57.449 57.449 59.865 -2.416 17579 8269 1 13 . 1 1 104 104 GLU CB C 139 29.983 29.983 29.249 0.734 17579 8270 1 13 . 1 1 104 104 GLU H H 139 8.459 8.459 8.624 -0.165 17579 8271 1 13 . 1 1 106 106 GLU N N 141 122.191 122.191 119.942 2.249 17579 8272 1 13 . 1 1 106 106 GLU HA H 141 4.268 4.268 4.073 0.195 17579 8273 1 13 . 1 1 106 106 GLU CA C 141 64.025 64.025 59.350 4.675 17579 8274 1 13 . 1 1 106 106 GLU CB C 141 32.117 32.117 29.379 2.738 17579 8275 1 13 . 1 1 106 106 GLU H H 141 8.291 8.291 8.449 -0.158 17579 8276 1 13 . 1 1 107 107 TYR N N 142 115.802 115.802 121.194 -5.392 17579 8277 1 13 . 1 1 107 107 TYR HA H 142 4.996 4.996 3.970 1.026 17579 8278 1 13 . 1 1 107 107 TYR C C 142 175.381 175.381 177.401 -2.020 17579 8279 1 13 . 1 1 107 107 TYR CA C 142 57.581 57.581 61.544 -3.963 17579 8280 1 13 . 1 1 107 107 TYR CB C 142 39.533 39.533 38.327 1.206 17579 8281 1 13 . 1 1 107 107 TYR H H 142 7.344 7.344 8.599 -1.255 17579 8282 1 13 . 1 1 108 108 LYS N N 143 123.473 123.473 119.028 4.445 17579 8283 1 13 . 1 1 108 108 LYS HA H 143 3.628 3.628 3.412 0.216 17579 8284 1 13 . 1 1 108 108 LYS C C 143 177.659 177.659 178.543 -0.884 17579 8285 1 13 . 1 1 108 108 LYS CA C 143 59.988 59.988 60.263 -0.275 17579 8286 1 13 . 1 1 108 108 LYS CB C 143 32.294 32.294 32.215 0.079 17579 8287 1 13 . 1 1 108 108 LYS H H 143 7.376 7.376 8.538 -1.162 17579 8288 1 13 . 1 1 109 109 GLU N N 144 118.799 118.799 118.936 -0.137 17579 8289 1 13 . 1 1 109 109 GLU HA H 144 4.048 4.048 3.925 0.123 17579 8290 1 13 . 1 1 109 109 GLU C C 144 179.583 179.583 179.107 0.476 17579 8291 1 13 . 1 1 109 109 GLU CA C 144 60.200 60.200 59.506 0.694 17579 8292 1 13 . 1 1 109 109 GLU CB C 144 29.237 29.237 29.507 -0.270 17579 8293 1 13 . 1 1 109 109 GLU H H 144 8.558 8.558 8.082 0.476 17579 8294 1 13 . 1 1 110 110 SER N N 145 116.121 116.121 116.329 -0.208 17579 8295 1 13 . 1 1 110 110 SER HA H 145 4.319 4.319 4.075 0.244 17579 8296 1 13 . 1 1 110 110 SER C C 145 176.522 176.522 176.528 -0.006 17579 8297 1 13 . 1 1 110 110 SER CA C 145 61.990 61.990 61.578 0.412 17579 8298 1 13 . 1 1 110 110 SER CB C 145 63.293 63.293 63.211 0.082 17579 8299 1 13 . 1 1 110 110 SER H H 145 8.094 8.094 8.225 -0.131 17579 8300 1 13 . 1 1 111 111 PHE N N 146 122.311 122.311 122.139 0.172 17579 8301 1 13 . 1 1 111 111 PHE HA H 146 4.021 4.021 4.082 -0.061 17579 8302 1 13 . 1 1 111 111 PHE C C 146 176.001 176.001 177.073 -1.072 17579 8303 1 13 . 1 1 111 111 PHE CA C 146 62.504 62.504 60.062 2.442 17579 8304 1 13 . 1 1 111 111 PHE CB C 146 39.861 39.861 38.548 1.313 17579 8305 1 13 . 1 1 111 111 PHE H H 146 8.536 8.536 8.536 -0.000 17579 8306 1 13 . 1 1 112 112 ASN N N 147 117.908 117.908 117.382 0.526 17579 8307 1 13 . 1 1 112 112 ASN HA H 147 4.252 4.252 4.142 0.110 17579 8308 1 13 . 1 1 112 112 ASN C C 147 178.315 178.315 177.386 0.929 17579 8309 1 13 . 1 1 112 112 ASN CA C 147 56.226 56.226 56.828 -0.602 17579 8310 1 13 . 1 1 112 112 ASN CB C 147 37.990 37.990 38.405 -0.415 17579 8311 1 13 . 1 1 112 112 ASN H H 147 8.795 8.795 8.708 0.087 17579 8312 1 13 . 1 1 113 113 GLU N N 148 119.868 119.868 120.423 -0.555 17579 8313 1 13 . 1 1 113 113 GLU HA H 148 4.024 4.024 3.982 0.042 17579 8314 1 13 . 1 1 113 113 GLU C C 148 179.410 179.410 178.640 0.770 17579 8315 1 13 . 1 1 113 113 GLU CA C 148 59.710 59.710 59.755 -0.045 17579 8316 1 13 . 1 1 113 113 GLU CB C 148 30.063 30.063 29.811 0.251 17579 8317 1 13 . 1 1 113 113 GLU H H 148 7.764 7.764 7.722 0.042 17579 8318 1 13 . 1 1 114 114 VAL N N 149 119.684 119.684 118.176 1.508 17579 8319 1 13 . 1 1 114 114 VAL HA H 149 3.544 3.544 3.569 -0.025 17579 8320 1 13 . 1 1 114 114 VAL C C 149 177.613 177.613 178.065 -0.452 17579 8321 1 13 . 1 1 114 114 VAL CA C 149 66.977 66.977 66.280 0.697 17579 8322 1 13 . 1 1 114 114 VAL CB C 149 30.605 30.605 31.354 -0.749 17579 8323 1 13 . 1 1 114 114 VAL H H 149 7.973 7.973 7.872 0.101 17579 8324 1 13 . 1 1 115 115 VAL N N 150 119.782 119.782 120.798 -1.016 17579 8325 1 13 . 1 1 115 115 VAL HA H 150 3.164 3.164 3.370 -0.206 17579 8326 1 13 . 1 1 115 115 VAL C C 150 177.499 177.499 177.912 -0.413 17579 8327 1 13 . 1 1 115 115 VAL CA C 150 68.301 68.301 66.320 1.981 17579 8328 1 13 . 1 1 115 115 VAL CB C 150 31.483 31.483 30.375 1.108 17579 8329 1 13 . 1 1 115 115 VAL H H 150 8.452 8.452 8.320 0.132 17579 8330 1 13 . 1 1 116 116 LYS N N 151 118.842 118.842 119.407 -0.565 17579 8331 1 13 . 1 1 116 116 LYS HA H 151 4.024 4.024 3.856 0.168 17579 8332 1 13 . 1 1 116 116 LYS C C 151 179.862 179.862 179.155 0.707 17579 8333 1 13 . 1 1 116 116 LYS CA C 151 59.947 59.947 59.602 0.345 17579 8334 1 13 . 1 1 116 116 LYS CB C 151 32.481 32.481 31.864 0.617 17579 8335 1 13 . 1 1 116 116 LYS H H 151 7.595 7.595 7.685 -0.090 17579 8336 1 13 . 1 1 117 117 GLU N N 152 120.243 120.243 119.034 1.209 17579 8337 1 13 . 1 1 117 117 GLU HA H 152 4.052 4.052 4.037 0.015 17579 8338 1 13 . 1 1 117 117 GLU C C 152 179.528 179.528 179.032 0.496 17579 8339 1 13 . 1 1 117 117 GLU CA C 152 60.178 60.178 59.406 0.772 17579 8340 1 13 . 1 1 117 117 GLU CB C 152 29.949 29.949 29.428 0.521 17579 8341 1 13 . 1 1 117 117 GLU H H 152 7.513 7.513 7.957 -0.444 17579 8342 1 13 . 1 1 118 118 VAL N N 153 120.596 120.596 119.893 0.703 17579 8343 1 13 . 1 1 118 118 VAL HA H 153 3.464 3.464 3.668 -0.204 17579 8344 1 13 . 1 1 118 118 VAL C C 153 177.984 177.984 178.458 -0.474 17579 8345 1 13 . 1 1 118 118 VAL CA C 153 68.047 68.047 65.675 2.372 17579 8346 1 13 . 1 1 118 118 VAL CB C 153 32.056 32.056 30.677 1.379 17579 8347 1 13 . 1 1 118 118 VAL H H 153 8.649 8.649 7.819 0.830 17579 8348 1 13 . 1 1 119 119 GLN N N 154 118.317 118.317 119.036 -0.719 17579 8349 1 13 . 1 1 119 119 GLN HA H 154 3.986 3.986 4.044 -0.058 17579 8350 1 13 . 1 1 119 119 GLN C C 154 178.984 178.984 178.309 0.675 17579 8351 1 13 . 1 1 119 119 GLN CA C 154 59.716 59.716 57.957 1.759 17579 8352 1 13 . 1 1 119 119 GLN CB C 154 28.261 28.261 28.587 -0.327 17579 8353 1 13 . 1 1 119 119 GLN H H 154 8.947 8.947 7.981 0.966 17579 8354 1 13 . 1 1 120 120 ALA N N 155 120.688 120.688 121.783 -1.095 17579 8355 1 13 . 1 1 120 120 ALA HA H 155 3.484 3.484 4.110 -0.626 17579 8356 1 13 . 1 1 120 120 ALA C C 155 180.759 180.759 178.047 2.712 17579 8357 1 13 . 1 1 120 120 ALA CA C 155 55.257 55.257 53.918 1.339 17579 8358 1 13 . 1 1 120 120 ALA CB C 155 18.446 18.446 19.285 -0.839 17579 8359 1 13 . 1 1 120 120 ALA H H 155 7.494 7.494 7.869 -0.375 17579 8360 1 14 . 1 1 2 2 LYS N N 37 124.936 124.936 123.266 1.670 17579 8361 1 14 . 1 1 2 2 LYS HA H 37 4.053 4.053 4.130 -0.077 17579 8362 1 14 . 1 1 2 2 LYS C C 37 172.929 172.929 178.000 -5.071 17579 8363 1 14 . 1 1 2 2 LYS CA C 37 60.975 60.975 58.642 2.333 17579 8364 1 14 . 1 1 2 2 LYS CB C 37 32.607 32.607 32.404 0.203 17579 8365 1 14 . 1 1 2 2 LYS H H 37 7.564 7.564 8.397 -0.833 17579 8366 1 14 . 1 1 3 3 LYS N N 38 118.300 118.300 118.781 -0.481 17579 8367 1 14 . 1 1 3 3 LYS HA H 38 4.045 4.045 4.010 0.035 17579 8368 1 14 . 1 1 3 3 LYS C C 38 179.361 179.361 178.353 1.008 17579 8369 1 14 . 1 1 3 3 LYS CA C 38 59.930 59.930 58.940 0.990 17579 8370 1 14 . 1 1 3 3 LYS CB C 38 32.885 32.885 31.704 1.181 17579 8371 1 14 . 1 1 3 3 LYS H H 38 8.234 8.234 8.268 -0.034 17579 8372 1 14 . 1 1 4 4 LEU N N 39 122.081 122.081 121.081 1.000 17579 8373 1 14 . 1 1 4 4 LEU HA H 39 4.135 4.135 3.885 0.250 17579 8374 1 14 . 1 1 4 4 LEU C C 39 178.433 178.433 178.226 0.207 17579 8375 1 14 . 1 1 4 4 LEU CA C 39 57.726 57.726 58.204 -0.478 17579 8376 1 14 . 1 1 4 4 LEU CB C 39 40.588 40.588 41.692 -1.104 17579 8377 1 14 . 1 1 4 4 LEU H H 39 7.856 7.856 7.531 0.325 17579 8378 1 14 . 1 1 5 5 ASN N N 40 118.758 118.758 116.750 2.008 17579 8379 1 14 . 1 1 5 5 ASN HA H 40 3.994 3.994 4.183 -0.189 17579 8380 1 14 . 1 1 5 5 ASN C C 40 176.246 176.246 177.261 -1.015 17579 8381 1 14 . 1 1 5 5 ASN CA C 40 57.843 57.843 56.556 1.288 17579 8382 1 14 . 1 1 5 5 ASN CB C 40 40.430 40.430 38.246 2.184 17579 8383 1 14 . 1 1 5 5 ASN H H 40 9.241 9.241 7.598 1.643 17579 8384 1 14 . 1 1 6 6 LYS N N 41 115.665 115.665 120.062 -4.397 17579 8385 1 14 . 1 1 6 6 LYS HA H 41 3.929 3.929 3.862 0.067 17579 8386 1 14 . 1 1 6 6 LYS C C 41 179.318 179.318 178.999 0.319 17579 8387 1 14 . 1 1 6 6 LYS CA C 41 60.130 60.130 59.830 0.300 17579 8388 1 14 . 1 1 6 6 LYS CB C 41 32.580 32.580 32.246 0.334 17579 8389 1 14 . 1 1 6 6 LYS H H 41 7.239 7.239 7.769 -0.530 17579 8390 1 14 . 1 1 7 7 LYS N N 42 119.038 119.038 119.722 -0.684 17579 8391 1 14 . 1 1 7 7 LYS HA H 42 4.037 4.037 3.890 0.147 17579 8392 1 14 . 1 1 7 7 LYS C C 42 180.428 180.428 178.918 1.510 17579 8393 1 14 . 1 1 7 7 LYS CA C 42 60.178 60.178 60.081 0.097 17579 8394 1 14 . 1 1 7 7 LYS CB C 42 33.670 33.670 32.291 1.379 17579 8395 1 14 . 1 1 7 7 LYS H H 42 7.358 7.358 7.912 -0.554 17579 8396 1 14 . 1 1 8 8 VAL N N 43 122.489 122.489 119.911 2.578 17579 8397 1 14 . 1 1 8 8 VAL HA H 43 3.263 3.263 3.776 -0.513 17579 8398 1 14 . 1 1 8 8 VAL C C 43 177.823 177.823 178.303 -0.480 17579 8399 1 14 . 1 1 8 8 VAL CA C 43 67.836 67.836 66.782 1.054 17579 8400 1 14 . 1 1 8 8 VAL CB C 43 31.523 31.523 31.442 0.081 17579 8401 1 14 . 1 1 8 8 VAL H H 43 9.167 9.167 8.018 1.149 17579 8402 1 14 . 1 1 9 9 LEU N N 44 119.740 119.740 119.711 0.029 17579 8403 1 14 . 1 1 9 9 LEU HA H 44 3.964 3.964 3.778 0.186 17579 8404 1 14 . 1 1 9 9 LEU C C 44 179.700 179.700 179.248 0.452 17579 8405 1 14 . 1 1 9 9 LEU CA C 44 58.742 58.742 58.367 0.375 17579 8406 1 14 . 1 1 9 9 LEU CB C 44 41.239 41.239 40.873 0.366 17579 8407 1 14 . 1 1 9 9 LEU H H 44 8.437 8.437 8.302 0.135 17579 8408 1 14 . 1 1 10 10 LYS N N 45 119.832 119.832 118.121 1.711 17579 8409 1 14 . 1 1 10 10 LYS HA H 45 4.013 4.013 4.002 0.011 17579 8410 1 14 . 1 1 10 10 LYS C C 45 178.847 178.847 179.563 -0.716 17579 8411 1 14 . 1 1 10 10 LYS CA C 45 60.146 60.146 59.267 0.879 17579 8412 1 14 . 1 1 10 10 LYS CB C 45 32.583 32.583 31.859 0.724 17579 8413 1 14 . 1 1 10 10 LYS H H 45 7.857 7.857 8.240 -0.383 17579 8414 1 14 . 1 1 11 11 THR N N 46 116.695 116.695 116.970 -0.275 17579 8415 1 14 . 1 1 11 11 THR HA H 46 4.327 4.327 4.149 0.178 17579 8416 1 14 . 1 1 11 11 THR C C 46 176.211 176.211 176.379 -0.168 17579 8417 1 14 . 1 1 11 11 THR CA C 46 68.237 68.237 67.211 1.026 17579 8418 1 14 . 1 1 11 11 THR CB C 46 68.312 68.312 68.635 -0.323 17579 8419 1 14 . 1 1 11 11 THR H H 46 7.796 7.796 8.087 -0.291 17579 8420 1 14 . 1 1 12 12 VAL N N 47 122.013 122.013 122.274 -0.261 17579 8421 1 14 . 1 1 12 12 VAL HA H 47 3.235 3.235 3.568 -0.333 17579 8422 1 14 . 1 1 12 12 VAL C C 47 177.909 177.909 177.234 0.675 17579 8423 1 14 . 1 1 12 12 VAL CA C 47 67.838 67.838 65.850 1.988 17579 8424 1 14 . 1 1 12 12 VAL CB C 47 31.706 31.706 31.671 0.035 17579 8425 1 14 . 1 1 12 12 VAL H H 47 8.762 8.762 8.153 0.609 17579 8426 1 14 . 1 1 13 13 LYS N N 48 118.035 118.035 118.919 -0.884 17579 8427 1 14 . 1 1 13 13 LYS HA H 48 3.828 3.828 4.007 -0.179 17579 8428 1 14 . 1 1 13 13 LYS CA C 48 59.960 59.960 59.212 0.748 17579 8429 1 14 . 1 1 13 13 LYS CB C 48 32.837 32.837 32.223 0.614 17579 8430 1 14 . 1 1 13 13 LYS H H 48 7.492 7.492 8.327 -0.835 17579 8431 1 14 . 1 1 14 14 LYS N N 49 120.565 120.565 117.517 3.048 17579 8432 1 14 . 1 1 14 14 LYS HA H 49 3.952 3.952 4.120 -0.168 17579 8433 1 14 . 1 1 14 14 LYS C C 49 179.608 179.608 178.993 0.615 17579 8434 1 14 . 1 1 14 14 LYS CA C 49 59.950 59.950 58.591 1.359 17579 8435 1 14 . 1 1 14 14 LYS CB C 49 33.723 33.723 32.712 1.011 17579 8436 1 14 . 1 1 14 14 LYS H H 49 7.498 7.498 7.775 -0.277 17579 8437 1 14 . 1 1 15 15 ALA N N 50 122.192 122.192 120.909 1.283 17579 8438 1 14 . 1 1 15 15 ALA HA H 50 3.467 3.467 3.953 -0.486 17579 8439 1 14 . 1 1 15 15 ALA C C 50 179.970 179.970 179.300 0.670 17579 8440 1 14 . 1 1 15 15 ALA CA C 50 54.950 54.950 54.004 0.946 17579 8441 1 14 . 1 1 15 15 ALA CB C 50 19.270 19.270 17.527 1.743 17579 8442 1 14 . 1 1 15 15 ALA H H 50 8.529 8.529 7.899 0.630 17579 8443 1 14 . 1 1 16 16 SER N N 51 116.624 116.624 114.077 2.547 17579 8444 1 14 . 1 1 16 16 SER HA H 51 4.696 4.696 4.101 0.595 17579 8445 1 14 . 1 1 16 16 SER C C 51 178.705 178.705 176.244 2.461 17579 8446 1 14 . 1 1 16 16 SER CA C 51 62.206 62.206 61.458 0.748 17579 8447 1 14 . 1 1 16 16 SER CB C 51 62.918 62.918 63.018 -0.100 17579 8448 1 14 . 1 1 16 16 SER H H 51 8.542 8.542 8.041 0.501 17579 8449 1 14 . 1 1 17 17 LYS N N 52 124.866 124.866 120.364 4.502 17579 8450 1 14 . 1 1 17 17 LYS HA H 52 4.051 4.051 4.193 -0.142 17579 8451 1 14 . 1 1 17 17 LYS C C 52 177.563 177.563 177.268 0.295 17579 8452 1 14 . 1 1 17 17 LYS CA C 52 59.290 59.290 57.505 1.785 17579 8453 1 14 . 1 1 17 17 LYS CB C 52 32.104 32.104 32.774 -0.670 17579 8454 1 14 . 1 1 17 17 LYS H H 52 7.553 7.553 7.364 0.189 17579 8455 1 14 . 1 1 18 18 ALA N N 53 118.801 118.801 120.349 -1.548 17579 8456 1 14 . 1 1 18 18 ALA HA H 53 4.280 4.280 4.236 0.044 17579 8457 1 14 . 1 1 18 18 ALA C C 53 175.253 175.253 176.407 -1.154 17579 8458 1 14 . 1 1 18 18 ALA CA C 53 52.222 52.222 51.661 0.561 17579 8459 1 14 . 1 1 18 18 ALA CB C 53 19.566 19.566 19.433 0.133 17579 8460 1 14 . 1 1 18 18 ALA H H 53 7.092 7.092 7.578 -0.486 17579 8461 1 14 . 1 1 19 19 LYS N N 54 112.119 112.119 115.341 -3.222 17579 8462 1 14 . 1 1 19 19 LYS HA H 54 4.027 4.027 3.905 0.122 17579 8463 1 14 . 1 1 19 19 LYS C C 54 177.191 177.191 175.258 1.933 17579 8464 1 14 . 1 1 19 19 LYS CA C 54 57.435 57.435 57.008 0.427 17579 8465 1 14 . 1 1 19 19 LYS CB C 54 28.420 28.420 30.300 -1.880 17579 8466 1 14 . 1 1 19 19 LYS H H 54 7.644 7.644 7.725 -0.081 17579 8467 1 14 . 1 1 20 20 ASN N N 55 116.236 116.236 115.876 0.360 17579 8468 1 14 . 1 1 20 20 ASN HA H 55 5.090 5.090 4.721 0.369 17579 8469 1 14 . 1 1 20 20 ASN C C 55 173.176 173.176 174.862 -1.686 17579 8470 1 14 . 1 1 20 20 ASN CA C 55 51.617 51.617 54.340 -2.723 17579 8471 1 14 . 1 1 20 20 ASN CB C 55 40.642 40.642 40.039 0.603 17579 8472 1 14 . 1 1 20 20 ASN H H 55 8.099 8.099 7.840 0.259 17579 8473 1 14 . 1 1 21 21 VAL N N 56 115.268 115.268 120.064 -4.796 17579 8474 1 14 . 1 1 21 21 VAL HA H 56 4.864 4.864 4.103 0.761 17579 8475 1 14 . 1 1 21 21 VAL C C 56 175.526 175.526 175.087 0.439 17579 8476 1 14 . 1 1 21 21 VAL CA C 56 61.314 61.314 62.215 -0.901 17579 8477 1 14 . 1 1 21 21 VAL CB C 56 35.532 35.532 32.488 3.044 17579 8478 1 14 . 1 1 21 21 VAL H H 56 7.621 7.621 7.865 -0.244 17579 8479 1 14 . 1 1 22 22 LYS N N 57 126.903 126.903 130.152 -3.249 17579 8480 1 14 . 1 1 22 22 LYS HA H 57 4.682 4.682 4.668 0.014 17579 8481 1 14 . 1 1 22 22 LYS C C 57 175.564 175.564 175.538 0.026 17579 8482 1 14 . 1 1 22 22 LYS CA C 57 54.694 54.694 54.107 0.587 17579 8483 1 14 . 1 1 22 22 LYS CB C 57 33.975 33.975 33.907 0.068 17579 8484 1 14 . 1 1 22 22 LYS H H 57 9.006 9.006 8.562 0.444 17579 8485 1 14 . 1 1 23 23 ARG N N 58 122.053 122.053 123.314 -1.261 17579 8486 1 14 . 1 1 23 23 ARG HA H 58 4.850 4.850 4.562 0.288 17579 8487 1 14 . 1 1 23 23 ARG C C 58 176.136 176.136 176.620 -0.484 17579 8488 1 14 . 1 1 23 23 ARG CA C 58 56.100 56.100 55.044 1.056 17579 8489 1 14 . 1 1 23 23 ARG CB C 58 33.752 33.752 31.550 2.202 17579 8490 1 14 . 1 1 23 23 ARG H H 58 8.994 8.994 8.877 0.117 17579 8491 1 14 . 1 1 24 24 GLY N N 59 110.836 110.836 108.695 2.141 17579 8492 1 14 . 1 1 24 24 GLY C C 59 173.053 173.053 174.027 -0.974 17579 8493 1 14 . 1 1 24 24 GLY CA C 59 45.028 45.028 44.371 0.657 17579 8494 1 14 . 1 1 24 24 GLY H H 59 8.205 8.205 8.162 0.043 17579 8495 1 14 . 1 1 25 25 VAL N N 60 119.573 119.573 121.502 -1.929 17579 8496 1 14 . 1 1 25 25 VAL HA H 60 4.117 4.117 3.846 0.271 17579 8497 1 14 . 1 1 25 25 VAL C C 60 176.366 176.366 177.211 -0.845 17579 8498 1 14 . 1 1 25 25 VAL CA C 60 67.542 67.542 64.927 2.615 17579 8499 1 14 . 1 1 25 25 VAL CB C 60 32.147 32.147 32.030 0.117 17579 8500 1 14 . 1 1 25 25 VAL H H 60 8.219 8.219 8.410 -0.191 17579 8501 1 14 . 1 1 26 26 LYS N N 61 117.987 117.987 118.939 -0.952 17579 8502 1 14 . 1 1 26 26 LYS HA H 61 3.896 3.896 4.106 -0.210 17579 8503 1 14 . 1 1 26 26 LYS C C 61 180.230 180.230 178.656 1.574 17579 8504 1 14 . 1 1 26 26 LYS CA C 61 60.492 60.492 59.578 0.914 17579 8505 1 14 . 1 1 26 26 LYS CB C 61 32.356 32.356 31.980 0.376 17579 8506 1 14 . 1 1 26 26 LYS H H 61 8.112 8.112 8.390 -0.278 17579 8507 1 14 . 1 1 27 27 GLU N N 62 117.610 117.610 119.307 -1.697 17579 8508 1 14 . 1 1 27 27 GLU HA H 62 3.937 3.937 4.111 -0.174 17579 8509 1 14 . 1 1 27 27 GLU C C 62 180.103 180.103 178.975 1.128 17579 8510 1 14 . 1 1 27 27 GLU CA C 62 59.119 59.119 59.369 -0.250 17579 8511 1 14 . 1 1 27 27 GLU CB C 62 30.052 30.052 29.180 0.872 17579 8512 1 14 . 1 1 27 27 GLU H H 62 8.493 8.493 8.227 0.266 17579 8513 1 14 . 1 1 28 28 VAL N N 63 120.585 120.585 117.739 2.846 17579 8514 1 14 . 1 1 28 28 VAL HA H 63 3.478 3.478 4.074 -0.596 17579 8515 1 14 . 1 1 28 28 VAL C C 63 176.970 176.970 178.199 -1.229 17579 8516 1 14 . 1 1 28 28 VAL CA C 63 68.197 68.197 66.645 1.552 17579 8517 1 14 . 1 1 28 28 VAL CB C 63 31.632 31.632 31.396 0.236 17579 8518 1 14 . 1 1 28 28 VAL H H 63 8.241 8.241 8.338 -0.097 17579 8519 1 14 . 1 1 29 29 VAL N N 64 118.622 118.622 120.748 -2.126 17579 8520 1 14 . 1 1 29 29 VAL HA H 64 3.333 3.333 3.778 -0.445 17579 8521 1 14 . 1 1 29 29 VAL C C 64 177.709 177.709 177.772 -0.063 17579 8522 1 14 . 1 1 29 29 VAL CA C 64 67.751 67.751 66.304 1.447 17579 8523 1 14 . 1 1 29 29 VAL CB C 64 31.553 31.553 31.854 -0.301 17579 8524 1 14 . 1 1 29 29 VAL H H 64 8.510 8.510 8.113 0.397 17579 8525 1 14 . 1 1 30 30 LYS N N 65 118.138 118.138 119.351 -1.213 17579 8526 1 14 . 1 1 30 30 LYS HA H 65 3.855 3.855 4.037 -0.182 17579 8527 1 14 . 1 1 30 30 LYS C C 65 178.693 178.693 178.735 -0.042 17579 8528 1 14 . 1 1 30 30 LYS CA C 65 59.986 59.986 59.011 0.975 17579 8529 1 14 . 1 1 30 30 LYS CB C 65 32.800 32.800 31.902 0.898 17579 8530 1 14 . 1 1 30 30 LYS H H 65 7.533 7.533 7.963 -0.430 17579 8531 1 14 . 1 1 31 31 ALA N N 66 120.585 120.585 120.926 -0.341 17579 8532 1 14 . 1 1 31 31 ALA HA H 66 4.049 4.049 4.350 -0.301 17579 8533 1 14 . 1 1 31 31 ALA C C 66 179.745 179.745 178.925 0.820 17579 8534 1 14 . 1 1 31 31 ALA CA C 66 55.288 55.288 54.442 0.846 17579 8535 1 14 . 1 1 31 31 ALA CB C 66 19.207 19.207 18.254 0.953 17579 8536 1 14 . 1 1 31 31 ALA H H 66 7.489 7.489 8.044 -0.555 17579 8537 1 14 . 1 1 32 32 LEU N N 67 119.402 119.402 115.917 3.485 17579 8538 1 14 . 1 1 32 32 LEU HA H 67 3.976 3.976 4.224 -0.248 17579 8539 1 14 . 1 1 32 32 LEU C C 67 180.917 180.917 178.472 2.445 17579 8540 1 14 . 1 1 32 32 LEU CA C 67 58.115 58.115 56.806 1.310 17579 8541 1 14 . 1 1 32 32 LEU CB C 67 42.554 42.554 41.988 0.566 17579 8542 1 14 . 1 1 32 32 LEU H H 67 8.332 8.332 7.535 0.797 17579 8543 1 14 . 1 1 33 33 ARG N N 68 116.408 116.408 120.382 -3.974 17579 8544 1 14 . 1 1 33 33 ARG HA H 68 3.787 3.787 4.157 -0.370 17579 8545 1 14 . 1 1 33 33 ARG C C 68 178.472 178.472 177.915 0.557 17579 8546 1 14 . 1 1 33 33 ARG CA C 68 59.581 59.581 58.508 1.073 17579 8547 1 14 . 1 1 33 33 ARG CB C 68 29.946 29.946 30.431 -0.485 17579 8548 1 14 . 1 1 33 33 ARG H H 68 8.147 8.147 7.784 0.363 17579 8549 1 14 . 1 1 34 34 LYS N N 69 117.866 117.866 117.655 0.211 17579 8550 1 14 . 1 1 34 34 LYS HA H 69 4.232 4.232 4.267 -0.035 17579 8551 1 14 . 1 1 34 34 LYS C C 69 177.005 177.005 177.309 -0.304 17579 8552 1 14 . 1 1 34 34 LYS CA C 69 56.788 56.788 55.985 0.803 17579 8553 1 14 . 1 1 34 34 LYS CB C 69 33.008 33.008 32.198 0.810 17579 8554 1 14 . 1 1 34 34 LYS H H 69 7.606 7.606 8.229 -0.623 17579 8555 1 14 . 1 1 35 35 GLY N N 70 106.799 106.799 106.130 0.669 17579 8556 1 14 . 1 1 35 35 GLY C C 70 175.547 175.547 174.069 1.478 17579 8557 1 14 . 1 1 35 35 GLY CA C 70 45.969 45.969 45.230 0.739 17579 8558 1 14 . 1 1 35 35 GLY H H 70 7.678 7.678 8.034 -0.356 17579 8559 1 14 . 1 1 36 36 GLU N N 71 119.492 119.492 121.085 -1.593 17579 8560 1 14 . 1 1 36 36 GLU HA H 71 4.199 4.199 4.336 -0.137 17579 8561 1 14 . 1 1 36 36 GLU C C 71 175.625 175.625 175.145 0.480 17579 8562 1 14 . 1 1 36 36 GLU CA C 71 57.696 57.696 55.032 2.664 17579 8563 1 14 . 1 1 36 36 GLU CB C 71 29.620 29.620 27.989 1.631 17579 8564 1 14 . 1 1 36 36 GLU H H 71 7.686 7.686 8.363 -0.677 17579 8565 1 14 . 1 1 37 37 LYS N N 72 118.433 118.433 122.423 -3.990 17579 8566 1 14 . 1 1 37 37 LYS HA H 72 4.863 4.863 4.399 0.464 17579 8567 1 14 . 1 1 37 37 LYS C C 72 175.983 175.983 176.165 -0.182 17579 8568 1 14 . 1 1 37 37 LYS CA C 72 54.299 54.299 54.219 0.080 17579 8569 1 14 . 1 1 37 37 LYS CB C 72 35.140 35.140 33.982 1.158 17579 8570 1 14 . 1 1 37 37 LYS H H 72 8.202 8.202 7.583 0.619 17579 8571 1 14 . 1 1 38 38 GLY N N 73 104.719 104.719 107.359 -2.640 17579 8572 1 14 . 1 1 38 38 GLY C C 73 172.071 172.071 173.292 -1.221 17579 8573 1 14 . 1 1 38 38 GLY CA C 73 46.798 46.798 45.755 1.043 17579 8574 1 14 . 1 1 38 38 GLY H H 73 7.214 7.214 8.817 -1.603 17579 8575 1 14 . 1 1 39 39 LEU N N 74 125.471 125.471 121.521 3.950 17579 8576 1 14 . 1 1 39 39 LEU HA H 74 4.992 4.992 5.177 -0.185 17579 8577 1 14 . 1 1 39 39 LEU C C 74 174.651 174.651 174.660 -0.009 17579 8578 1 14 . 1 1 39 39 LEU CA C 74 54.686 54.686 55.016 -0.329 17579 8579 1 14 . 1 1 39 39 LEU CB C 74 47.360 47.360 46.411 0.949 17579 8580 1 14 . 1 1 39 39 LEU H H 74 8.930 8.930 8.167 0.763 17579 8581 1 14 . 1 1 40 40 VAL N N 75 130.975 130.975 128.419 2.556 17579 8582 1 14 . 1 1 40 40 VAL HA H 75 4.649 4.649 3.984 0.665 17579 8583 1 14 . 1 1 40 40 VAL C C 75 173.868 173.868 175.305 -1.437 17579 8584 1 14 . 1 1 40 40 VAL CA C 75 62.513 62.513 61.966 0.547 17579 8585 1 14 . 1 1 40 40 VAL CB C 75 32.856 32.856 31.045 1.811 17579 8586 1 14 . 1 1 40 40 VAL H H 75 8.549 8.549 8.851 -0.302 17579 8587 1 14 . 1 1 41 41 VAL N N 76 127.452 127.452 129.455 -2.003 17579 8588 1 14 . 1 1 41 41 VAL HA H 76 4.645 4.645 4.572 0.073 17579 8589 1 14 . 1 1 41 41 VAL C C 76 173.931 173.931 175.424 -1.493 17579 8590 1 14 . 1 1 41 41 VAL CA C 76 61.015 61.015 61.393 -0.378 17579 8591 1 14 . 1 1 41 41 VAL CB C 76 33.844 33.844 31.015 2.829 17579 8592 1 14 . 1 1 41 41 VAL H H 76 8.754 8.754 8.419 0.335 17579 8593 1 14 . 1 1 42 42 ILE N N 77 126.301 126.301 127.865 -1.564 17579 8594 1 14 . 1 1 42 42 ILE HA H 77 4.455 4.455 5.220 -0.765 17579 8595 1 14 . 1 1 42 42 ILE C C 77 174.965 174.965 174.810 0.155 17579 8596 1 14 . 1 1 42 42 ILE CA C 77 59.842 59.842 57.897 1.945 17579 8597 1 14 . 1 1 42 42 ILE CB C 77 40.257 40.257 41.418 -1.161 17579 8598 1 14 . 1 1 42 42 ILE H H 77 8.530 8.530 9.006 -0.476 17579 8599 1 14 . 1 1 43 43 ALA N N 78 128.716 128.716 127.988 0.728 17579 8600 1 14 . 1 1 43 43 ALA HA H 78 4.469 4.469 5.069 -0.600 17579 8601 1 14 . 1 1 43 43 ALA C C 78 177.979 177.979 179.064 -1.085 17579 8602 1 14 . 1 1 43 43 ALA CA C 78 52.398 52.398 50.228 2.170 17579 8603 1 14 . 1 1 43 43 ALA CB C 78 19.600 19.600 19.535 0.065 17579 8604 1 14 . 1 1 43 43 ALA H H 78 8.538 8.538 8.400 0.138 17579 8605 1 14 . 1 1 44 44 GLY N N 79 104.343 104.343 112.849 -8.506 17579 8606 1 14 . 1 1 44 44 GLY C C 79 173.472 173.472 175.267 -1.795 17579 8607 1 14 . 1 1 44 44 GLY CA C 79 46.239 46.239 47.096 -0.857 17579 8608 1 14 . 1 1 44 44 GLY H H 79 9.090 9.090 9.104 -0.014 17579 8609 1 14 . 1 1 45 45 ASP N N 80 118.154 118.154 119.577 -1.423 17579 8610 1 14 . 1 1 45 45 ASP HA H 80 4.855 4.855 4.584 0.271 17579 8611 1 14 . 1 1 45 45 ASP C C 80 176.500 176.500 175.821 0.679 17579 8612 1 14 . 1 1 45 45 ASP CA C 80 52.804 52.804 56.118 -3.314 17579 8613 1 14 . 1 1 45 45 ASP CB C 80 39.410 39.410 41.461 -2.051 17579 8614 1 14 . 1 1 45 45 ASP H H 80 8.603 8.603 8.419 0.184 17579 8615 1 14 . 1 1 46 46 ILE N N 81 118.477 118.477 120.381 -1.904 17579 8616 1 14 . 1 1 46 46 ILE HA H 81 4.073 4.073 4.360 -0.287 17579 8617 1 14 . 1 1 46 46 ILE C C 81 173.822 173.822 173.726 0.096 17579 8618 1 14 . 1 1 46 46 ILE CA C 81 59.882 59.882 60.837 -0.955 17579 8619 1 14 . 1 1 46 46 ILE CB C 81 39.136 39.136 40.024 -0.888 17579 8620 1 14 . 1 1 46 46 ILE H H 81 6.846 6.846 7.746 -0.900 17579 8621 1 14 . 1 1 47 47 SER N N 82 117.552 117.552 121.680 -4.128 17579 8622 1 14 . 1 1 47 47 SER HA H 82 4.628 4.628 4.819 -0.191 17579 8623 1 14 . 1 1 47 47 SER C C 82 176.920 176.920 173.038 3.882 17579 8624 1 14 . 1 1 47 47 SER CA C 82 55.444 55.444 55.176 0.268 17579 8625 1 14 . 1 1 47 47 SER CB C 82 65.268 65.268 64.366 0.902 17579 8626 1 14 . 1 1 47 47 SER H H 82 7.774 7.774 8.295 -0.521 17579 8627 1 14 . 1 1 48 48 PRO HA H 83 4.259 4.259 4.512 -0.253 17579 8628 1 14 . 1 1 48 48 PRO CA C 83 62.312 62.312 62.566 -0.253 17579 8629 1 14 . 1 1 48 48 PRO CB C 83 30.564 30.564 32.266 -1.702 17579 8630 1 14 . 1 1 49 49 ALA N N 84 122.207 122.207 120.227 1.980 17579 8631 1 14 . 1 1 49 49 ALA HA H 84 3.978 3.978 4.194 -0.216 17579 8632 1 14 . 1 1 49 49 ALA C C 84 178.699 178.699 177.943 0.756 17579 8633 1 14 . 1 1 49 49 ALA CA C 84 54.704 54.704 53.555 1.149 17579 8634 1 14 . 1 1 49 49 ALA CB C 84 19.393 19.393 18.289 1.104 17579 8635 1 14 . 1 1 49 49 ALA H H 84 8.091 8.091 8.383 -0.292 17579 8636 1 14 . 1 1 50 50 ASP N N 85 113.440 113.440 118.834 -5.394 17579 8637 1 14 . 1 1 50 50 ASP HA H 85 4.338 4.338 4.380 -0.042 17579 8638 1 14 . 1 1 50 50 ASP C C 85 177.723 177.723 178.136 -0.413 17579 8639 1 14 . 1 1 50 50 ASP CA C 85 56.203 56.203 56.975 -0.772 17579 8640 1 14 . 1 1 50 50 ASP CB C 85 40.562 40.562 41.059 -0.497 17579 8641 1 14 . 1 1 50 50 ASP H H 85 8.148 8.148 8.011 0.137 17579 8642 1 14 . 1 1 51 51 VAL N N 86 116.604 116.604 119.846 -3.242 17579 8643 1 14 . 1 1 51 51 VAL HA H 86 3.925 3.925 3.723 0.202 17579 8644 1 14 . 1 1 51 51 VAL C C 86 176.966 176.966 176.641 0.325 17579 8645 1 14 . 1 1 51 51 VAL CA C 86 65.241 65.241 65.566 -0.325 17579 8646 1 14 . 1 1 51 51 VAL CB C 86 32.467 32.467 31.795 0.672 17579 8647 1 14 . 1 1 51 51 VAL H H 86 7.538 7.538 7.849 -0.311 17579 8648 1 14 . 1 1 52 52 ILE N N 87 108.211 108.211 115.393 -7.182 17579 8649 1 14 . 1 1 52 52 ILE HA H 87 4.565 4.565 3.958 0.607 17579 8650 1 14 . 1 1 52 52 ILE C C 87 178.116 178.116 176.523 1.593 17579 8651 1 14 . 1 1 52 52 ILE CA C 87 60.165 60.165 63.266 -3.101 17579 8652 1 14 . 1 1 52 52 ILE CB C 87 41.048 41.048 37.590 3.458 17579 8653 1 14 . 1 1 52 52 ILE H H 87 7.283 7.283 7.606 -0.323 17579 8654 1 14 . 1 1 53 53 SER N N 88 116.088 116.088 115.127 0.961 17579 8655 1 14 . 1 1 53 53 SER HA H 88 4.538 4.538 4.434 0.104 17579 8656 1 14 . 1 1 53 53 SER CA C 88 61.852 61.852 59.655 2.197 17579 8657 1 14 . 1 1 53 53 SER CB C 88 62.604 62.604 64.213 -1.609 17579 8658 1 14 . 1 1 53 53 SER H H 88 7.845 7.845 7.779 0.066 17579 8659 1 14 . 1 1 54 54 HIS N N 89 121.004 121.004 119.560 1.444 17579 8660 1 14 . 1 1 54 54 HIS HA H 89 4.590 4.590 4.681 -0.091 17579 8661 1 14 . 1 1 54 54 HIS C C 89 176.530 176.530 176.955 -0.425 17579 8662 1 14 . 1 1 54 54 HIS CA C 89 56.554 56.554 57.770 -1.216 17579 8663 1 14 . 1 1 54 54 HIS CB C 89 33.261 33.261 31.747 1.514 17579 8664 1 14 . 1 1 54 54 HIS H H 89 8.450 8.450 8.042 0.408 17579 8665 1 14 . 1 1 55 55 ILE N N 90 123.909 123.909 122.253 1.656 17579 8666 1 14 . 1 1 55 55 ILE HA H 90 4.583 4.583 3.587 0.996 17579 8667 1 14 . 1 1 55 55 ILE CA C 90 62.230 62.230 67.608 -5.378 17579 8668 1 14 . 1 1 55 55 ILE CB C 90 42.418 42.418 35.690 6.728 17579 8669 1 14 . 1 1 55 55 ILE H H 90 8.142 8.142 8.435 -0.293 17579 8670 1 14 . 1 1 56 56 PRO HA H 91 2.974 2.974 4.259 -1.285 17579 8671 1 14 . 1 1 56 56 PRO C C 91 177.132 177.132 178.522 -1.390 17579 8672 1 14 . 1 1 56 56 PRO CA C 91 66.917 66.917 65.911 1.006 17579 8673 1 14 . 1 1 56 56 PRO CB C 91 31.519 31.519 30.991 0.528 17579 8674 1 14 . 1 1 57 57 VAL N N 92 114.761 114.761 119.379 -4.618 17579 8675 1 14 . 1 1 57 57 VAL HA H 92 3.570 3.570 3.765 -0.195 17579 8676 1 14 . 1 1 57 57 VAL C C 92 177.995 177.995 178.098 -0.103 17579 8677 1 14 . 1 1 57 57 VAL CA C 92 66.358 66.358 65.671 0.687 17579 8678 1 14 . 1 1 57 57 VAL CB C 92 31.694 31.694 31.303 0.391 17579 8679 1 14 . 1 1 57 57 VAL H H 92 6.505 6.505 7.468 -0.963 17579 8680 1 14 . 1 1 58 58 LEU N N 93 120.572 120.572 119.049 1.523 17579 8681 1 14 . 1 1 58 58 LEU HA H 93 4.200 4.200 4.159 0.041 17579 8682 1 14 . 1 1 58 58 LEU C C 93 180.452 180.452 178.696 1.756 17579 8683 1 14 . 1 1 58 58 LEU CA C 93 57.938 57.938 58.286 -0.348 17579 8684 1 14 . 1 1 58 58 LEU CB C 93 43.394 43.394 41.038 2.356 17579 8685 1 14 . 1 1 58 58 LEU H H 93 7.432 7.432 8.263 -0.831 17579 8686 1 14 . 1 1 59 59 CYS N N 94 117.330 117.330 118.389 -1.059 17579 8687 1 14 . 1 1 59 59 CYS HA H 94 3.827 3.827 4.179 -0.352 17579 8688 1 14 . 1 1 59 59 CYS C C 94 177.986 177.986 176.861 1.125 17579 8689 1 14 . 1 1 59 59 CYS CA C 94 65.483 65.483 63.303 2.179 17579 8690 1 14 . 1 1 59 59 CYS CB C 94 26.552 26.552 27.773 -1.221 17579 8691 1 14 . 1 1 59 59 CYS H H 94 8.423 8.423 8.106 0.317 17579 8692 1 14 . 1 1 60 60 GLU N N 95 120.766 120.766 119.610 1.156 17579 8693 1 14 . 1 1 60 60 GLU HA H 95 3.512 3.512 4.179 -0.667 17579 8694 1 14 . 1 1 60 60 GLU C C 95 180.736 180.736 177.484 3.252 17579 8695 1 14 . 1 1 60 60 GLU CA C 95 59.909 59.909 58.265 1.644 17579 8696 1 14 . 1 1 60 60 GLU CB C 95 29.108 29.108 29.266 -0.158 17579 8697 1 14 . 1 1 60 60 GLU H H 95 8.237 8.237 7.917 0.320 17579 8698 1 14 . 1 1 61 61 ASP N N 96 120.591 120.591 118.117 2.474 17579 8699 1 14 . 1 1 61 61 ASP HA H 96 4.311 4.311 4.473 -0.162 17579 8700 1 14 . 1 1 61 61 ASP C C 96 178.004 178.004 177.337 0.667 17579 8701 1 14 . 1 1 61 61 ASP CA C 96 57.549 57.549 55.865 1.684 17579 8702 1 14 . 1 1 61 61 ASP CB C 96 41.083 41.083 41.209 -0.126 17579 8703 1 14 . 1 1 61 61 ASP H H 96 8.345 8.345 7.855 0.490 17579 8704 1 14 . 1 1 62 62 HIS N N 97 115.844 115.844 115.076 0.768 17579 8705 1 14 . 1 1 62 62 HIS HA H 97 4.575 4.575 4.796 -0.221 17579 8706 1 14 . 1 1 62 62 HIS C C 97 173.728 173.728 174.381 -0.653 17579 8707 1 14 . 1 1 62 62 HIS CA C 97 57.418 57.418 55.859 1.558 17579 8708 1 14 . 1 1 62 62 HIS CB C 97 30.067 30.067 32.742 -2.675 17579 8709 1 14 . 1 1 62 62 HIS H H 97 7.663 7.663 7.875 -0.212 17579 8710 1 14 . 1 1 63 63 SER N N 98 114.813 114.813 114.346 0.467 17579 8711 1 14 . 1 1 63 63 SER HA H 98 4.097 4.097 4.163 -0.066 17579 8712 1 14 . 1 1 63 63 SER C C 98 173.789 173.789 173.729 0.060 17579 8713 1 14 . 1 1 63 63 SER CA C 98 59.255 59.255 58.745 0.510 17579 8714 1 14 . 1 1 63 63 SER CB C 98 61.602 61.602 61.761 -0.159 17579 8715 1 14 . 1 1 63 63 SER H H 98 7.861 7.861 8.149 -0.288 17579 8716 1 14 . 1 1 64 64 VAL N N 99 123.227 123.227 122.208 1.019 17579 8717 1 14 . 1 1 64 64 VAL HA H 99 4.157 4.157 4.357 -0.200 17579 8718 1 14 . 1 1 64 64 VAL C C 99 174.345 174.345 174.784 -0.439 17579 8719 1 14 . 1 1 64 64 VAL CA C 99 58.923 58.923 60.312 -1.389 17579 8720 1 14 . 1 1 64 64 VAL CB C 99 35.133 35.133 33.124 2.009 17579 8721 1 14 . 1 1 64 64 VAL H H 99 8.603 8.603 7.629 0.974 17579 8722 1 14 . 1 1 65 65 PRO HA H 100 4.260 4.260 4.460 -0.200 17579 8723 1 14 . 1 1 65 65 PRO C C 100 173.335 173.335 175.193 -1.858 17579 8724 1 14 . 1 1 65 65 PRO CA C 100 63.165 63.165 63.014 0.151 17579 8725 1 14 . 1 1 65 65 PRO CB C 100 32.083 32.083 29.695 2.388 17579 8726 1 14 . 1 1 66 66 TYR N N 101 114.840 114.840 124.410 -9.570 17579 8727 1 14 . 1 1 66 66 TYR HA H 101 5.900 5.900 4.776 1.124 17579 8728 1 14 . 1 1 66 66 TYR C C 101 170.503 170.503 173.565 -3.062 17579 8729 1 14 . 1 1 66 66 TYR CA C 101 53.986 53.986 56.562 -2.576 17579 8730 1 14 . 1 1 66 66 TYR CB C 101 41.998 41.998 40.850 1.148 17579 8731 1 14 . 1 1 66 66 TYR H H 101 6.219 6.219 8.013 -1.794 17579 8732 1 14 . 1 1 67 67 ILE N N 102 112.118 112.118 127.843 -15.725 17579 8733 1 14 . 1 1 67 67 ILE HA H 102 4.488 4.488 4.189 0.299 17579 8734 1 14 . 1 1 67 67 ILE C C 102 171.963 171.963 173.233 -1.270 17579 8735 1 14 . 1 1 67 67 ILE CA C 102 55.343 55.343 58.824 -3.481 17579 8736 1 14 . 1 1 67 67 ILE CB C 102 43.317 43.317 41.768 1.549 17579 8737 1 14 . 1 1 67 67 ILE H H 102 7.954 7.954 8.792 -0.838 17579 8738 1 14 . 1 1 68 68 PHE N N 103 122.272 122.272 124.380 -2.108 17579 8739 1 14 . 1 1 68 68 PHE HA H 103 5.945 5.945 5.711 0.234 17579 8740 1 14 . 1 1 68 68 PHE C C 103 176.374 176.374 173.472 2.902 17579 8741 1 14 . 1 1 68 68 PHE CA C 103 56.520 56.520 54.453 2.067 17579 8742 1 14 . 1 1 68 68 PHE CB C 103 40.518 40.518 42.543 -2.025 17579 8743 1 14 . 1 1 68 68 PHE H H 103 8.087 8.087 7.930 0.157 17579 8744 1 14 . 1 1 69 69 ILE N N 104 114.672 114.672 116.006 -1.334 17579 8745 1 14 . 1 1 69 69 ILE HA H 104 2.991 2.991 4.465 -1.474 17579 8746 1 14 . 1 1 69 69 ILE C C 104 175.387 175.387 173.413 1.974 17579 8747 1 14 . 1 1 69 69 ILE CA C 104 57.903 57.903 57.380 0.523 17579 8748 1 14 . 1 1 69 69 ILE CB C 104 38.207 38.207 40.805 -2.598 17579 8749 1 14 . 1 1 69 69 ILE H H 104 8.847 8.847 8.957 -0.110 17579 8750 1 14 . 1 1 70 70 PRO HA H 105 3.918 3.918 4.670 -0.752 17579 8751 1 14 . 1 1 70 70 PRO C C 105 177.442 177.442 175.662 1.780 17579 8752 1 14 . 1 1 70 70 PRO CA C 105 64.823 64.823 63.167 1.656 17579 8753 1 14 . 1 1 70 70 PRO CB C 105 35.906 35.906 29.953 5.953 17579 8754 1 14 . 1 1 71 71 SER N N 106 113.113 113.113 116.029 -2.916 17579 8755 1 14 . 1 1 71 71 SER HA H 106 4.261 4.261 4.684 -0.423 17579 8756 1 14 . 1 1 71 71 SER C C 106 175.111 175.111 173.962 1.149 17579 8757 1 14 . 1 1 71 71 SER CA C 106 60.111 60.111 58.134 1.977 17579 8758 1 14 . 1 1 71 71 SER CB C 106 63.687 63.687 65.927 -2.240 17579 8759 1 14 . 1 1 71 71 SER H H 106 7.904 7.904 8.256 -0.352 17579 8760 1 14 . 1 1 72 72 LYS N N 107 119.830 119.830 125.601 -5.771 17579 8761 1 14 . 1 1 72 72 LYS HA H 107 4.187 4.187 3.958 0.229 17579 8762 1 14 . 1 1 72 72 LYS CA C 107 58.783 58.783 60.371 -1.588 17579 8763 1 14 . 1 1 72 72 LYS CB C 107 30.951 30.951 32.498 -1.547 17579 8764 1 14 . 1 1 72 72 LYS H H 107 8.314 8.314 8.849 -0.535 17579 8765 1 14 . 1 1 73 73 GLN N N 108 123.860 123.860 118.393 5.467 17579 8766 1 14 . 1 1 73 73 GLN HA H 108 4.001 4.001 4.080 -0.079 17579 8767 1 14 . 1 1 73 73 GLN CA C 108 58.831 58.831 59.497 -0.666 17579 8768 1 14 . 1 1 73 73 GLN CB C 108 28.451 28.451 28.157 0.294 17579 8769 1 14 . 1 1 73 73 GLN H H 108 8.510 8.510 8.760 -0.250 17579 8770 1 14 . 1 1 74 74 ASP N N 109 121.145 121.145 119.817 1.328 17579 8771 1 14 . 1 1 74 74 ASP HA H 109 4.389 4.389 4.350 0.039 17579 8772 1 14 . 1 1 74 74 ASP C C 109 178.552 178.552 178.594 -0.042 17579 8773 1 14 . 1 1 74 74 ASP H H 109 7.966 7.966 8.331 -0.365 17579 8774 1 14 . 1 1 75 75 LEU N N 110 121.098 121.098 120.850 0.248 17579 8775 1 14 . 1 1 75 75 LEU HA H 110 3.955 3.955 4.029 -0.074 17579 8776 1 14 . 1 1 75 75 LEU C C 110 178.953 178.953 178.707 0.246 17579 8777 1 14 . 1 1 75 75 LEU CA C 110 56.538 56.538 58.189 -1.651 17579 8778 1 14 . 1 1 75 75 LEU CB C 110 40.845 40.845 41.856 -1.011 17579 8779 1 14 . 1 1 75 75 LEU H H 110 7.932 7.932 8.103 -0.171 17579 8780 1 14 . 1 1 76 76 GLY N N 111 105.659 105.659 106.248 -0.589 17579 8781 1 14 . 1 1 76 76 GLY C C 111 175.510 175.510 175.581 -0.071 17579 8782 1 14 . 1 1 76 76 GLY CA C 111 47.037 47.037 47.259 -0.222 17579 8783 1 14 . 1 1 76 76 GLY H H 111 8.006 8.006 8.546 -0.540 17579 8784 1 14 . 1 1 77 77 ALA N N 112 122.987 122.987 124.314 -1.327 17579 8785 1 14 . 1 1 77 77 ALA HA H 112 4.112 4.112 4.145 -0.033 17579 8786 1 14 . 1 1 77 77 ALA C C 112 179.350 179.350 179.714 -0.364 17579 8787 1 14 . 1 1 77 77 ALA CA C 112 53.930 53.930 54.654 -0.724 17579 8788 1 14 . 1 1 77 77 ALA CB C 112 18.727 18.727 18.284 0.443 17579 8789 1 14 . 1 1 77 77 ALA H H 112 7.824 7.824 8.057 -0.233 17579 8790 1 14 . 1 1 78 78 ALA N N 113 121.466 121.466 121.350 0.116 17579 8791 1 14 . 1 1 78 78 ALA HA H 113 4.189 4.189 4.050 0.139 17579 8792 1 14 . 1 1 78 78 ALA C C 113 177.368 177.368 179.766 -2.398 17579 8793 1 14 . 1 1 78 78 ALA CA C 113 53.750 53.750 54.647 -0.897 17579 8794 1 14 . 1 1 78 78 ALA CB C 113 19.231 19.231 18.687 0.544 17579 8795 1 14 . 1 1 78 78 ALA H H 113 7.785 7.785 7.804 -0.019 17579 8796 1 14 . 1 1 79 79 GLY N N 114 104.016 104.016 106.299 -2.283 17579 8797 1 14 . 1 1 79 79 GLY CA C 114 45.256 45.256 45.594 -0.338 17579 8798 1 14 . 1 1 79 79 GLY H H 114 7.742 7.742 8.103 -0.361 17579 8799 1 14 . 1 1 80 80 ALA HA H 115 4.100 4.100 4.543 -0.443 17579 8800 1 14 . 1 1 80 80 ALA C C 115 176.526 176.526 177.053 -0.527 17579 8801 1 14 . 1 1 80 80 ALA CA C 115 53.482 53.482 51.988 1.494 17579 8802 1 14 . 1 1 80 80 ALA CB C 115 19.825 19.825 19.477 0.348 17579 8803 1 14 . 1 1 81 81 THR N N 116 116.236 116.236 118.742 -2.506 17579 8804 1 14 . 1 1 81 81 THR HA H 116 4.718 4.718 4.003 0.715 17579 8805 1 14 . 1 1 81 81 THR CA C 116 57.275 57.275 65.506 -8.231 17579 8806 1 14 . 1 1 81 81 THR CB C 116 64.878 64.878 69.018 -4.140 17579 8807 1 14 . 1 1 81 81 THR H H 116 8.068 8.068 8.700 -0.632 17579 8808 1 14 . 1 1 84 84 PRO HA H 119 4.072 4.072 4.597 -0.525 17579 8809 1 14 . 1 1 84 84 PRO CB C 119 32.154 32.154 32.258 -0.104 17579 8810 1 14 . 1 1 85 85 THR N N 120 119.680 119.680 116.897 2.783 17579 8811 1 14 . 1 1 85 85 THR C C 120 175.333 175.333 175.143 0.190 17579 8812 1 14 . 1 1 85 85 THR CB C 120 71.769 71.769 71.705 0.064 17579 8813 1 14 . 1 1 85 85 THR H H 120 8.002 8.002 8.104 -0.102 17579 8814 1 14 . 1 1 86 86 SER N N 121 115.589 115.589 118.427 -2.838 17579 8815 1 14 . 1 1 86 86 SER HA H 121 4.325 4.325 4.247 0.078 17579 8816 1 14 . 1 1 86 86 SER C C 121 172.929 172.929 174.805 -1.876 17579 8817 1 14 . 1 1 86 86 SER CA C 121 59.722 59.722 60.355 -0.633 17579 8818 1 14 . 1 1 86 86 SER CB C 121 64.608 64.608 63.371 1.237 17579 8819 1 14 . 1 1 86 86 SER H H 121 7.335 7.335 8.749 -1.414 17579 8820 1 14 . 1 1 87 87 VAL N N 122 116.044 116.044 114.171 1.873 17579 8821 1 14 . 1 1 87 87 VAL HA H 122 5.200 5.200 4.499 0.701 17579 8822 1 14 . 1 1 87 87 VAL C C 122 172.465 172.465 174.336 -1.871 17579 8823 1 14 . 1 1 87 87 VAL CA C 122 59.819 59.819 61.153 -1.334 17579 8824 1 14 . 1 1 87 87 VAL CB C 122 33.368 33.368 33.728 -0.360 17579 8825 1 14 . 1 1 87 87 VAL H H 122 7.152 7.152 7.434 -0.282 17579 8826 1 14 . 1 1 88 88 VAL N N 123 119.350 119.350 123.604 -4.254 17579 8827 1 14 . 1 1 88 88 VAL HA H 123 5.091 5.091 4.768 0.323 17579 8828 1 14 . 1 1 88 88 VAL C C 123 173.214 173.214 174.075 -0.861 17579 8829 1 14 . 1 1 88 88 VAL CA C 123 59.219 59.219 60.597 -1.378 17579 8830 1 14 . 1 1 88 88 VAL CB C 123 36.362 36.362 36.654 -0.292 17579 8831 1 14 . 1 1 88 88 VAL H H 123 8.851 8.851 8.706 0.145 17579 8832 1 14 . 1 1 89 89 PHE N N 124 122.568 122.568 124.955 -2.387 17579 8833 1 14 . 1 1 89 89 PHE HA H 124 5.613 5.613 5.246 0.367 17579 8834 1 14 . 1 1 89 89 PHE C C 124 174.887 174.887 175.160 -0.273 17579 8835 1 14 . 1 1 89 89 PHE CA C 124 52.961 52.961 56.020 -3.058 17579 8836 1 14 . 1 1 89 89 PHE CB C 124 42.788 42.788 42.530 0.258 17579 8837 1 14 . 1 1 89 89 PHE H H 124 9.051 9.051 9.263 -0.212 17579 8838 1 14 . 1 1 90 90 ILE N N 125 127.707 127.707 128.326 -0.619 17579 8839 1 14 . 1 1 90 90 ILE HA H 125 4.264 4.264 4.332 -0.068 17579 8840 1 14 . 1 1 90 90 ILE C C 125 173.870 173.870 175.228 -1.358 17579 8841 1 14 . 1 1 90 90 ILE CA C 125 61.789 61.789 60.221 1.567 17579 8842 1 14 . 1 1 90 90 ILE CB C 125 39.785 39.785 37.309 2.476 17579 8843 1 14 . 1 1 90 90 ILE H H 125 9.477 9.477 9.429 0.048 17579 8844 1 14 . 1 1 91 91 VAL N N 126 126.579 126.579 120.861 5.718 17579 8845 1 14 . 1 1 91 91 VAL HA H 126 4.566 4.566 4.812 -0.246 17579 8846 1 14 . 1 1 91 91 VAL C C 126 173.829 173.829 173.545 0.284 17579 8847 1 14 . 1 1 91 91 VAL CA C 126 58.701 58.701 58.321 0.380 17579 8848 1 14 . 1 1 91 91 VAL CB C 126 32.989 32.989 34.650 -1.661 17579 8849 1 14 . 1 1 91 91 VAL H H 126 8.149 8.149 8.915 -0.766 17579 8850 1 14 . 1 1 92 92 PRO HA H 127 4.035 4.035 4.616 -0.581 17579 8851 1 14 . 1 1 92 92 PRO C C 127 177.766 177.766 176.447 1.319 17579 8852 1 14 . 1 1 92 92 PRO CA C 127 63.684 63.684 63.005 0.679 17579 8853 1 14 . 1 1 92 92 PRO CB C 127 32.178 32.178 30.951 1.227 17579 8854 1 14 . 1 1 93 93 GLY N N 128 108.618 108.618 112.311 -3.693 17579 8855 1 14 . 1 1 93 93 GLY CA C 128 45.787 45.787 44.867 0.920 17579 8856 1 14 . 1 1 93 93 GLY H H 128 7.970 7.970 7.940 0.030 17579 8857 1 14 . 1 1 94 94 SER N N 129 113.620 113.620 118.418 -4.798 17579 8858 1 14 . 1 1 94 94 SER HA H 129 4.317 4.317 4.266 0.051 17579 8859 1 14 . 1 1 94 94 SER C C 129 180.379 180.379 176.178 4.201 17579 8860 1 14 . 1 1 94 94 SER CA C 129 58.566 58.566 59.019 -0.453 17579 8861 1 14 . 1 1 94 94 SER H H 129 7.952 7.952 8.166 -0.214 17579 8862 1 14 . 1 1 95 95 ASN N N 130 120.775 120.775 126.850 -6.075 17579 8863 1 14 . 1 1 95 95 ASN HA H 130 3.964 3.964 4.324 -0.360 17579 8864 1 14 . 1 1 95 95 ASN C C 130 178.664 178.664 177.274 1.390 17579 8865 1 14 . 1 1 95 95 ASN CA C 130 57.689 57.689 56.258 1.431 17579 8866 1 14 . 1 1 95 95 ASN CB C 130 42.288 42.288 38.012 4.276 17579 8867 1 14 . 1 1 95 95 ASN H H 130 8.300 8.300 8.759 -0.459 17579 8868 1 14 . 1 1 96 96 LYS N N 131 119.316 119.316 120.427 -1.111 17579 8869 1 14 . 1 1 96 96 LYS HA H 131 4.095 4.095 3.974 0.121 17579 8870 1 14 . 1 1 96 96 LYS C C 131 178.290 178.290 178.600 -0.310 17579 8871 1 14 . 1 1 96 96 LYS CA C 131 59.062 59.062 59.127 -0.065 17579 8872 1 14 . 1 1 96 96 LYS CB C 131 29.745 29.745 31.785 -2.040 17579 8873 1 14 . 1 1 96 96 LYS H H 131 7.896 7.896 8.664 -0.768 17579 8874 1 14 . 1 1 97 97 LYS N N 132 117.523 117.523 119.426 -1.903 17579 8875 1 14 . 1 1 97 97 LYS C C 132 176.927 176.927 178.694 -1.767 17579 8876 1 14 . 1 1 97 97 LYS CA C 132 58.555 58.555 59.000 -0.445 17579 8877 1 14 . 1 1 97 97 LYS CB C 132 30.578 30.578 31.852 -1.274 17579 8878 1 14 . 1 1 97 97 LYS H H 132 7.791 7.791 8.276 -0.485 17579 8879 1 14 . 1 1 98 98 LYS HA H 133 4.236 4.236 4.076 0.160 17579 8880 1 14 . 1 1 98 98 LYS C C 133 176.606 176.606 177.520 -0.914 17579 8881 1 14 . 1 1 98 98 LYS CA C 133 57.225 57.225 58.926 -1.701 17579 8882 1 14 . 1 1 98 98 LYS CB C 133 33.151 33.151 32.292 0.859 17579 8883 1 14 . 1 1 99 99 ASP N N 134 120.311 120.311 118.722 1.589 17579 8884 1 14 . 1 1 99 99 ASP HA H 134 4.584 4.584 4.761 -0.177 17579 8885 1 14 . 1 1 99 99 ASP C C 134 176.899 176.899 176.632 0.267 17579 8886 1 14 . 1 1 99 99 ASP CA C 134 54.402 54.402 53.181 1.221 17579 8887 1 14 . 1 1 99 99 ASP CB C 134 41.568 41.568 41.160 0.408 17579 8888 1 14 . 1 1 99 99 ASP H H 134 8.267 8.267 8.003 0.264 17579 8889 1 14 . 1 1 100 100 GLY N N 135 108.751 108.751 107.836 0.915 17579 8890 1 14 . 1 1 100 100 GLY C C 135 174.683 174.683 174.818 -0.135 17579 8891 1 14 . 1 1 100 100 GLY CA C 135 45.985 45.985 44.962 1.023 17579 8892 1 14 . 1 1 100 100 GLY H H 135 8.235 8.235 7.888 0.347 17579 8893 1 14 . 1 1 101 101 LYS N N 136 120.306 120.306 119.383 0.923 17579 8894 1 14 . 1 1 101 101 LYS HA H 136 4.279 4.279 4.307 -0.028 17579 8895 1 14 . 1 1 101 101 LYS C C 136 175.145 175.145 177.398 -2.253 17579 8896 1 14 . 1 1 101 101 LYS CA C 136 56.875 56.875 56.951 -0.076 17579 8897 1 14 . 1 1 101 101 LYS CB C 136 32.987 32.987 33.091 -0.104 17579 8898 1 14 . 1 1 101 101 LYS H H 136 8.148 8.148 8.058 0.090 17579 8899 1 14 . 1 1 102 102 ASN N N 137 118.958 118.958 117.433 1.525 17579 8900 1 14 . 1 1 102 102 ASN HA H 137 4.707 4.707 4.831 -0.124 17579 8901 1 14 . 1 1 102 102 ASN C C 137 175.849 175.849 176.590 -0.741 17579 8902 1 14 . 1 1 102 102 ASN CA C 137 53.816 53.816 53.666 0.150 17579 8903 1 14 . 1 1 102 102 ASN CB C 137 39.070 39.070 39.690 -0.620 17579 8904 1 14 . 1 1 102 102 ASN H H 137 8.406 8.406 8.290 0.116 17579 8905 1 14 . 1 1 103 103 LYS N N 138 121.782 121.782 122.046 -0.264 17579 8906 1 14 . 1 1 103 103 LYS HA H 138 4.255 4.255 3.946 0.309 17579 8907 1 14 . 1 1 103 103 LYS CA C 138 56.641 56.641 59.849 -3.208 17579 8908 1 14 . 1 1 103 103 LYS CB C 138 32.911 32.911 32.364 0.547 17579 8909 1 14 . 1 1 103 103 LYS H H 138 8.316 8.316 8.120 0.196 17579 8910 1 14 . 1 1 104 104 GLU N N 139 121.053 121.053 118.607 2.446 17579 8911 1 14 . 1 1 104 104 GLU CA C 139 57.449 57.449 59.889 -2.441 17579 8912 1 14 . 1 1 104 104 GLU CB C 139 29.983 29.983 29.115 0.868 17579 8913 1 14 . 1 1 104 104 GLU H H 139 8.459 8.459 8.817 -0.358 17579 8914 1 14 . 1 1 106 106 GLU N N 141 122.191 122.191 119.658 2.533 17579 8915 1 14 . 1 1 106 106 GLU HA H 141 4.268 4.268 4.063 0.205 17579 8916 1 14 . 1 1 106 106 GLU CA C 141 64.025 64.025 59.070 4.955 17579 8917 1 14 . 1 1 106 106 GLU CB C 141 32.117 32.117 29.614 2.503 17579 8918 1 14 . 1 1 106 106 GLU H H 141 8.291 8.291 7.952 0.339 17579 8919 1 14 . 1 1 107 107 TYR N N 142 115.802 115.802 121.623 -5.821 17579 8920 1 14 . 1 1 107 107 TYR HA H 142 4.996 4.996 4.092 0.904 17579 8921 1 14 . 1 1 107 107 TYR C C 142 175.381 175.381 177.237 -1.856 17579 8922 1 14 . 1 1 107 107 TYR CA C 142 57.581 57.581 61.808 -4.227 17579 8923 1 14 . 1 1 107 107 TYR CB C 142 39.533 39.533 38.129 1.404 17579 8924 1 14 . 1 1 107 107 TYR H H 142 7.344 7.344 8.875 -1.531 17579 8925 1 14 . 1 1 108 108 LYS N N 143 123.473 123.473 119.118 4.355 17579 8926 1 14 . 1 1 108 108 LYS HA H 143 3.628 3.628 3.559 0.069 17579 8927 1 14 . 1 1 108 108 LYS C C 143 177.659 177.659 178.691 -1.032 17579 8928 1 14 . 1 1 108 108 LYS CA C 143 59.988 59.988 59.115 0.873 17579 8929 1 14 . 1 1 108 108 LYS CB C 143 32.294 32.294 31.907 0.387 17579 8930 1 14 . 1 1 108 108 LYS H H 143 7.376 7.376 8.302 -0.926 17579 8931 1 14 . 1 1 109 109 GLU N N 144 118.799 118.799 118.886 -0.087 17579 8932 1 14 . 1 1 109 109 GLU HA H 144 4.048 4.048 3.985 0.063 17579 8933 1 14 . 1 1 109 109 GLU C C 144 179.583 179.583 179.020 0.563 17579 8934 1 14 . 1 1 109 109 GLU CA C 144 60.200 60.200 59.807 0.393 17579 8935 1 14 . 1 1 109 109 GLU CB C 144 29.237 29.237 29.619 -0.382 17579 8936 1 14 . 1 1 109 109 GLU H H 144 8.558 8.558 8.152 0.406 17579 8937 1 14 . 1 1 110 110 SER N N 145 116.121 116.121 116.162 -0.041 17579 8938 1 14 . 1 1 110 110 SER HA H 145 4.319 4.319 4.128 0.191 17579 8939 1 14 . 1 1 110 110 SER C C 145 176.522 176.522 176.832 -0.310 17579 8940 1 14 . 1 1 110 110 SER CA C 145 61.990 61.990 61.729 0.261 17579 8941 1 14 . 1 1 110 110 SER CB C 145 63.293 63.293 63.216 0.077 17579 8942 1 14 . 1 1 110 110 SER H H 145 8.094 8.094 7.855 0.239 17579 8943 1 14 . 1 1 111 111 PHE N N 146 122.311 122.311 122.463 -0.152 17579 8944 1 14 . 1 1 111 111 PHE HA H 146 4.021 4.021 4.115 -0.094 17579 8945 1 14 . 1 1 111 111 PHE C C 146 176.001 176.001 176.842 -0.841 17579 8946 1 14 . 1 1 111 111 PHE CA C 146 62.504 62.504 60.237 2.267 17579 8947 1 14 . 1 1 111 111 PHE CB C 146 39.861 39.861 38.576 1.285 17579 8948 1 14 . 1 1 111 111 PHE H H 146 8.536 8.536 8.694 -0.158 17579 8949 1 14 . 1 1 112 112 ASN N N 147 117.908 117.908 117.173 0.735 17579 8950 1 14 . 1 1 112 112 ASN HA H 147 4.252 4.252 4.157 0.095 17579 8951 1 14 . 1 1 112 112 ASN C C 147 178.315 178.315 177.492 0.823 17579 8952 1 14 . 1 1 112 112 ASN CA C 147 56.226 56.226 56.535 -0.309 17579 8953 1 14 . 1 1 112 112 ASN CB C 147 37.990 37.990 38.365 -0.375 17579 8954 1 14 . 1 1 112 112 ASN H H 147 8.795 8.795 8.674 0.121 17579 8955 1 14 . 1 1 113 113 GLU N N 148 119.868 119.868 119.699 0.169 17579 8956 1 14 . 1 1 113 113 GLU HA H 148 4.024 4.024 4.028 -0.004 17579 8957 1 14 . 1 1 113 113 GLU C C 148 179.410 179.410 178.894 0.516 17579 8958 1 14 . 1 1 113 113 GLU CA C 148 59.710 59.710 59.533 0.177 17579 8959 1 14 . 1 1 113 113 GLU CB C 148 30.063 30.063 29.738 0.325 17579 8960 1 14 . 1 1 113 113 GLU H H 148 7.764 7.764 7.810 -0.046 17579 8961 1 14 . 1 1 114 114 VAL N N 149 119.684 119.684 118.096 1.588 17579 8962 1 14 . 1 1 114 114 VAL HA H 149 3.544 3.544 3.628 -0.084 17579 8963 1 14 . 1 1 114 114 VAL C C 149 177.613 177.613 178.147 -0.534 17579 8964 1 14 . 1 1 114 114 VAL CA C 149 66.977 66.977 66.325 0.652 17579 8965 1 14 . 1 1 114 114 VAL CB C 149 30.605 30.605 31.398 -0.793 17579 8966 1 14 . 1 1 114 114 VAL H H 149 7.973 7.973 7.952 0.021 17579 8967 1 14 . 1 1 115 115 VAL N N 150 119.782 119.782 121.040 -1.258 17579 8968 1 14 . 1 1 115 115 VAL HA H 150 3.164 3.164 3.395 -0.231 17579 8969 1 14 . 1 1 115 115 VAL C C 150 177.499 177.499 177.898 -0.399 17579 8970 1 14 . 1 1 115 115 VAL CA C 150 68.301 68.301 65.697 2.604 17579 8971 1 14 . 1 1 115 115 VAL CB C 150 31.483 31.483 30.255 1.228 17579 8972 1 14 . 1 1 115 115 VAL H H 150 8.452 8.452 8.357 0.095 17579 8973 1 14 . 1 1 116 116 LYS N N 151 118.842 118.842 119.011 -0.169 17579 8974 1 14 . 1 1 116 116 LYS HA H 151 4.024 4.024 3.820 0.204 17579 8975 1 14 . 1 1 116 116 LYS C C 151 179.862 179.862 178.954 0.908 17579 8976 1 14 . 1 1 116 116 LYS CA C 151 59.947 59.947 60.161 -0.214 17579 8977 1 14 . 1 1 116 116 LYS CB C 151 32.481 32.481 32.081 0.400 17579 8978 1 14 . 1 1 116 116 LYS H H 151 7.595 7.595 7.693 -0.098 17579 8979 1 14 . 1 1 117 117 GLU N N 152 120.243 120.243 119.667 0.576 17579 8980 1 14 . 1 1 117 117 GLU HA H 152 4.052 4.052 4.074 -0.022 17579 8981 1 14 . 1 1 117 117 GLU C C 152 179.528 179.528 178.844 0.684 17579 8982 1 14 . 1 1 117 117 GLU CA C 152 60.178 60.178 59.045 1.133 17579 8983 1 14 . 1 1 117 117 GLU CB C 152 29.949 29.949 29.056 0.893 17579 8984 1 14 . 1 1 117 117 GLU H H 152 7.513 7.513 7.939 -0.426 17579 8985 1 14 . 1 1 118 118 VAL N N 153 120.596 120.596 119.751 0.845 17579 8986 1 14 . 1 1 118 118 VAL HA H 153 3.464 3.464 3.725 -0.261 17579 8987 1 14 . 1 1 118 118 VAL C C 153 177.984 177.984 178.121 -0.137 17579 8988 1 14 . 1 1 118 118 VAL CA C 153 68.047 68.047 66.006 2.041 17579 8989 1 14 . 1 1 118 118 VAL CB C 153 32.056 32.056 31.096 0.960 17579 8990 1 14 . 1 1 118 118 VAL H H 153 8.649 8.649 7.953 0.696 17579 8991 1 14 . 1 1 119 119 GLN N N 154 118.317 118.317 117.889 0.428 17579 8992 1 14 . 1 1 119 119 GLN HA H 154 3.986 3.986 4.099 -0.113 17579 8993 1 14 . 1 1 119 119 GLN C C 154 178.984 178.984 177.633 1.351 17579 8994 1 14 . 1 1 119 119 GLN CA C 154 59.716 59.716 57.988 1.728 17579 8995 1 14 . 1 1 119 119 GLN CB C 154 28.261 28.261 29.058 -0.797 17579 8996 1 14 . 1 1 119 119 GLN H H 154 8.947 8.947 7.829 1.118 17579 8997 1 14 . 1 1 120 120 ALA N N 155 120.688 120.688 121.610 -0.922 17579 8998 1 14 . 1 1 120 120 ALA HA H 155 3.484 3.484 4.151 -0.667 17579 8999 1 14 . 1 1 120 120 ALA C C 155 180.759 180.759 178.201 2.558 17579 9000 1 14 . 1 1 120 120 ALA CA C 155 55.257 55.257 53.203 2.054 17579 9001 1 14 . 1 1 120 120 ALA CB C 155 18.446 18.446 19.201 -0.756 17579 9002 1 14 . 1 1 120 120 ALA H H 155 7.494 7.494 7.867 -0.373 17579 9003 1 15 . 1 1 2 2 LYS N N 37 124.936 124.936 123.326 1.610 17579 9004 1 15 . 1 1 2 2 LYS HA H 37 4.053 4.053 4.122 -0.069 17579 9005 1 15 . 1 1 2 2 LYS C C 37 172.929 172.929 178.200 -5.271 17579 9006 1 15 . 1 1 2 2 LYS CA C 37 60.975 60.975 58.645 2.330 17579 9007 1 15 . 1 1 2 2 LYS CB C 37 32.607 32.607 31.982 0.625 17579 9008 1 15 . 1 1 2 2 LYS H H 37 7.564 7.564 8.643 -1.079 17579 9009 1 15 . 1 1 3 3 LYS N N 38 118.300 118.300 118.125 0.175 17579 9010 1 15 . 1 1 3 3 LYS HA H 38 4.045 4.045 4.011 0.034 17579 9011 1 15 . 1 1 3 3 LYS C C 38 179.361 179.361 178.592 0.769 17579 9012 1 15 . 1 1 3 3 LYS CA C 38 59.930 59.930 58.861 1.069 17579 9013 1 15 . 1 1 3 3 LYS CB C 38 32.885 32.885 31.688 1.197 17579 9014 1 15 . 1 1 3 3 LYS H H 38 8.234 8.234 8.248 -0.014 17579 9015 1 15 . 1 1 4 4 LEU N N 39 122.081 122.081 120.833 1.248 17579 9016 1 15 . 1 1 4 4 LEU HA H 39 4.135 4.135 3.884 0.251 17579 9017 1 15 . 1 1 4 4 LEU C C 39 178.433 178.433 178.195 0.238 17579 9018 1 15 . 1 1 4 4 LEU CA C 39 57.726 57.726 58.502 -0.776 17579 9019 1 15 . 1 1 4 4 LEU CB C 39 40.588 40.588 41.531 -0.943 17579 9020 1 15 . 1 1 4 4 LEU H H 39 7.856 7.856 7.854 0.002 17579 9021 1 15 . 1 1 5 5 ASN N N 40 118.758 118.758 116.042 2.716 17579 9022 1 15 . 1 1 5 5 ASN HA H 40 3.994 3.994 4.207 -0.213 17579 9023 1 15 . 1 1 5 5 ASN C C 40 176.246 176.246 177.291 -1.045 17579 9024 1 15 . 1 1 5 5 ASN CA C 40 57.843 57.843 56.628 1.215 17579 9025 1 15 . 1 1 5 5 ASN CB C 40 40.430 40.430 38.081 2.349 17579 9026 1 15 . 1 1 5 5 ASN H H 40 9.241 9.241 7.815 1.426 17579 9027 1 15 . 1 1 6 6 LYS N N 41 115.665 115.665 120.262 -4.597 17579 9028 1 15 . 1 1 6 6 LYS HA H 41 3.929 3.929 3.884 0.045 17579 9029 1 15 . 1 1 6 6 LYS C C 41 179.318 179.318 179.167 0.151 17579 9030 1 15 . 1 1 6 6 LYS CA C 41 60.130 60.130 59.871 0.259 17579 9031 1 15 . 1 1 6 6 LYS CB C 41 32.580 32.580 32.187 0.393 17579 9032 1 15 . 1 1 6 6 LYS H H 41 7.239 7.239 7.849 -0.610 17579 9033 1 15 . 1 1 7 7 LYS N N 42 119.038 119.038 119.333 -0.295 17579 9034 1 15 . 1 1 7 7 LYS HA H 42 4.037 4.037 4.001 0.036 17579 9035 1 15 . 1 1 7 7 LYS C C 42 180.428 180.428 178.986 1.442 17579 9036 1 15 . 1 1 7 7 LYS CA C 42 60.178 60.178 59.318 0.860 17579 9037 1 15 . 1 1 7 7 LYS CB C 42 33.670 33.670 32.260 1.410 17579 9038 1 15 . 1 1 7 7 LYS H H 42 7.358 7.358 7.960 -0.602 17579 9039 1 15 . 1 1 8 8 VAL N N 43 122.489 122.489 119.767 2.722 17579 9040 1 15 . 1 1 8 8 VAL HA H 43 3.263 3.263 3.752 -0.489 17579 9041 1 15 . 1 1 8 8 VAL C C 43 177.823 177.823 178.418 -0.595 17579 9042 1 15 . 1 1 8 8 VAL CA C 43 67.836 67.836 66.781 1.055 17579 9043 1 15 . 1 1 8 8 VAL CB C 43 31.523 31.523 31.415 0.108 17579 9044 1 15 . 1 1 8 8 VAL H H 43 9.167 9.167 8.134 1.033 17579 9045 1 15 . 1 1 9 9 LEU N N 44 119.740 119.740 119.740 0.000 17579 9046 1 15 . 1 1 9 9 LEU HA H 44 3.964 3.964 3.796 0.168 17579 9047 1 15 . 1 1 9 9 LEU C C 44 179.700 179.700 179.220 0.480 17579 9048 1 15 . 1 1 9 9 LEU CA C 44 58.742 58.742 58.394 0.348 17579 9049 1 15 . 1 1 9 9 LEU CB C 44 41.239 41.239 41.077 0.162 17579 9050 1 15 . 1 1 9 9 LEU H H 44 8.437 8.437 8.403 0.034 17579 9051 1 15 . 1 1 10 10 LYS N N 45 119.832 119.832 118.275 1.557 17579 9052 1 15 . 1 1 10 10 LYS HA H 45 4.013 4.013 3.969 0.044 17579 9053 1 15 . 1 1 10 10 LYS C C 45 178.847 178.847 179.360 -0.513 17579 9054 1 15 . 1 1 10 10 LYS CA C 45 60.146 60.146 59.427 0.719 17579 9055 1 15 . 1 1 10 10 LYS CB C 45 32.583 32.583 31.781 0.802 17579 9056 1 15 . 1 1 10 10 LYS H H 45 7.857 7.857 8.214 -0.357 17579 9057 1 15 . 1 1 11 11 THR N N 46 116.695 116.695 116.733 -0.038 17579 9058 1 15 . 1 1 11 11 THR HA H 46 4.327 4.327 4.089 0.238 17579 9059 1 15 . 1 1 11 11 THR C C 46 176.211 176.211 176.505 -0.294 17579 9060 1 15 . 1 1 11 11 THR CA C 46 68.237 68.237 66.295 1.942 17579 9061 1 15 . 1 1 11 11 THR CB C 46 68.312 68.312 68.438 -0.126 17579 9062 1 15 . 1 1 11 11 THR H H 46 7.796 7.796 8.213 -0.417 17579 9063 1 15 . 1 1 12 12 VAL N N 47 122.013 122.013 121.677 0.336 17579 9064 1 15 . 1 1 12 12 VAL HA H 47 3.235 3.235 3.491 -0.256 17579 9065 1 15 . 1 1 12 12 VAL C C 47 177.909 177.909 177.268 0.641 17579 9066 1 15 . 1 1 12 12 VAL CA C 47 67.838 67.838 65.643 2.195 17579 9067 1 15 . 1 1 12 12 VAL CB C 47 31.706 31.706 31.449 0.257 17579 9068 1 15 . 1 1 12 12 VAL H H 47 8.762 8.762 8.081 0.681 17579 9069 1 15 . 1 1 13 13 LYS N N 48 118.035 118.035 119.627 -1.592 17579 9070 1 15 . 1 1 13 13 LYS HA H 48 3.828 3.828 4.018 -0.190 17579 9071 1 15 . 1 1 13 13 LYS CA C 48 59.960 59.960 59.128 0.832 17579 9072 1 15 . 1 1 13 13 LYS CB C 48 32.837 32.837 32.156 0.681 17579 9073 1 15 . 1 1 13 13 LYS H H 48 7.492 7.492 8.290 -0.798 17579 9074 1 15 . 1 1 14 14 LYS N N 49 120.565 120.565 117.804 2.761 17579 9075 1 15 . 1 1 14 14 LYS HA H 49 3.952 3.952 4.074 -0.122 17579 9076 1 15 . 1 1 14 14 LYS C C 49 179.608 179.608 179.130 0.478 17579 9077 1 15 . 1 1 14 14 LYS CA C 49 59.950 59.950 58.122 1.828 17579 9078 1 15 . 1 1 14 14 LYS CB C 49 33.723 33.723 32.263 1.460 17579 9079 1 15 . 1 1 14 14 LYS H H 49 7.498 7.498 7.894 -0.396 17579 9080 1 15 . 1 1 15 15 ALA N N 50 122.192 122.192 121.101 1.091 17579 9081 1 15 . 1 1 15 15 ALA HA H 50 3.467 3.467 3.709 -0.242 17579 9082 1 15 . 1 1 15 15 ALA C C 50 179.970 179.970 178.566 1.404 17579 9083 1 15 . 1 1 15 15 ALA CA C 50 54.950 54.950 54.058 0.892 17579 9084 1 15 . 1 1 15 15 ALA CB C 50 19.270 19.270 17.761 1.509 17579 9085 1 15 . 1 1 15 15 ALA H H 50 8.529 8.529 8.432 0.097 17579 9086 1 15 . 1 1 16 16 SER N N 51 116.624 116.624 112.725 3.899 17579 9087 1 15 . 1 1 16 16 SER HA H 51 4.696 4.696 4.168 0.528 17579 9088 1 15 . 1 1 16 16 SER C C 51 178.705 178.705 175.820 2.885 17579 9089 1 15 . 1 1 16 16 SER CA C 51 62.206 62.206 60.480 1.726 17579 9090 1 15 . 1 1 16 16 SER CB C 51 62.918 62.918 63.041 -0.124 17579 9091 1 15 . 1 1 16 16 SER H H 51 8.542 8.542 7.769 0.773 17579 9092 1 15 . 1 1 17 17 LYS N N 52 124.866 124.866 119.462 5.404 17579 9093 1 15 . 1 1 17 17 LYS HA H 52 4.051 4.051 4.148 -0.097 17579 9094 1 15 . 1 1 17 17 LYS C C 52 177.563 177.563 177.103 0.460 17579 9095 1 15 . 1 1 17 17 LYS CA C 52 59.290 59.290 57.330 1.960 17579 9096 1 15 . 1 1 17 17 LYS CB C 52 32.104 32.104 32.429 -0.325 17579 9097 1 15 . 1 1 17 17 LYS H H 52 7.553 7.553 7.466 0.087 17579 9098 1 15 . 1 1 18 18 ALA N N 53 118.801 118.801 119.263 -0.462 17579 9099 1 15 . 1 1 18 18 ALA HA H 53 4.280 4.280 4.419 -0.139 17579 9100 1 15 . 1 1 18 18 ALA C C 53 175.253 175.253 176.580 -1.327 17579 9101 1 15 . 1 1 18 18 ALA CA C 53 52.222 52.222 51.272 0.950 17579 9102 1 15 . 1 1 18 18 ALA CB C 53 19.566 19.566 19.233 0.333 17579 9103 1 15 . 1 1 18 18 ALA H H 53 7.092 7.092 7.282 -0.190 17579 9104 1 15 . 1 1 19 19 LYS N N 54 112.119 112.119 117.579 -5.460 17579 9105 1 15 . 1 1 19 19 LYS HA H 54 4.027 4.027 3.962 0.065 17579 9106 1 15 . 1 1 19 19 LYS C C 54 177.191 177.191 175.934 1.257 17579 9107 1 15 . 1 1 19 19 LYS CA C 54 57.435 57.435 57.219 0.216 17579 9108 1 15 . 1 1 19 19 LYS CB C 54 28.420 28.420 30.472 -2.052 17579 9109 1 15 . 1 1 19 19 LYS H H 54 7.644 7.644 7.455 0.189 17579 9110 1 15 . 1 1 20 20 ASN N N 55 116.236 116.236 115.320 0.916 17579 9111 1 15 . 1 1 20 20 ASN HA H 55 5.090 5.090 4.682 0.408 17579 9112 1 15 . 1 1 20 20 ASN C C 55 173.176 173.176 175.183 -2.007 17579 9113 1 15 . 1 1 20 20 ASN CA C 55 51.617 51.617 54.558 -2.941 17579 9114 1 15 . 1 1 20 20 ASN CB C 55 40.642 40.642 39.988 0.654 17579 9115 1 15 . 1 1 20 20 ASN H H 55 8.099 8.099 7.860 0.239 17579 9116 1 15 . 1 1 21 21 VAL N N 56 115.268 115.268 120.330 -5.062 17579 9117 1 15 . 1 1 21 21 VAL HA H 56 4.864 4.864 4.071 0.793 17579 9118 1 15 . 1 1 21 21 VAL C C 56 175.526 175.526 174.651 0.875 17579 9119 1 15 . 1 1 21 21 VAL CA C 56 61.314 61.314 62.499 -1.185 17579 9120 1 15 . 1 1 21 21 VAL CB C 56 35.532 35.532 32.332 3.200 17579 9121 1 15 . 1 1 21 21 VAL H H 56 7.621 7.621 7.877 -0.256 17579 9122 1 15 . 1 1 22 22 LYS N N 57 126.903 126.903 129.651 -2.748 17579 9123 1 15 . 1 1 22 22 LYS HA H 57 4.682 4.682 4.692 -0.010 17579 9124 1 15 . 1 1 22 22 LYS C C 57 175.564 175.564 175.029 0.535 17579 9125 1 15 . 1 1 22 22 LYS CA C 57 54.694 54.694 54.178 0.516 17579 9126 1 15 . 1 1 22 22 LYS CB C 57 33.975 33.975 33.666 0.309 17579 9127 1 15 . 1 1 22 22 LYS H H 57 9.006 9.006 8.510 0.496 17579 9128 1 15 . 1 1 23 23 ARG N N 58 122.053 122.053 123.423 -1.370 17579 9129 1 15 . 1 1 23 23 ARG HA H 58 4.850 4.850 4.477 0.373 17579 9130 1 15 . 1 1 23 23 ARG C C 58 176.136 176.136 176.519 -0.383 17579 9131 1 15 . 1 1 23 23 ARG CA C 58 56.100 56.100 55.295 0.805 17579 9132 1 15 . 1 1 23 23 ARG CB C 58 33.752 33.752 31.540 2.212 17579 9133 1 15 . 1 1 23 23 ARG H H 58 8.994 8.994 8.927 0.067 17579 9134 1 15 . 1 1 24 24 GLY N N 59 110.836 110.836 109.106 1.730 17579 9135 1 15 . 1 1 24 24 GLY C C 59 173.053 173.053 174.353 -1.300 17579 9136 1 15 . 1 1 24 24 GLY CA C 59 45.028 45.028 44.341 0.687 17579 9137 1 15 . 1 1 24 24 GLY H H 59 8.205 8.205 8.415 -0.210 17579 9138 1 15 . 1 1 25 25 VAL N N 60 119.573 119.573 121.476 -1.903 17579 9139 1 15 . 1 1 25 25 VAL HA H 60 4.117 4.117 3.519 0.598 17579 9140 1 15 . 1 1 25 25 VAL C C 60 176.366 176.366 176.727 -0.361 17579 9141 1 15 . 1 1 25 25 VAL CA C 60 67.542 67.542 65.782 1.760 17579 9142 1 15 . 1 1 25 25 VAL CB C 60 32.147 32.147 31.938 0.209 17579 9143 1 15 . 1 1 25 25 VAL H H 60 8.219 8.219 8.668 -0.449 17579 9144 1 15 . 1 1 26 26 LYS N N 61 117.987 117.987 119.529 -1.542 17579 9145 1 15 . 1 1 26 26 LYS HA H 61 3.896 3.896 4.010 -0.114 17579 9146 1 15 . 1 1 26 26 LYS C C 61 180.230 180.230 178.460 1.770 17579 9147 1 15 . 1 1 26 26 LYS CA C 61 60.492 60.492 59.485 1.007 17579 9148 1 15 . 1 1 26 26 LYS CB C 61 32.356 32.356 31.713 0.643 17579 9149 1 15 . 1 1 26 26 LYS H H 61 8.112 8.112 8.438 -0.326 17579 9150 1 15 . 1 1 27 27 GLU N N 62 117.610 117.610 118.363 -0.753 17579 9151 1 15 . 1 1 27 27 GLU HA H 62 3.937 3.937 4.054 -0.117 17579 9152 1 15 . 1 1 27 27 GLU C C 62 180.103 180.103 179.059 1.044 17579 9153 1 15 . 1 1 27 27 GLU CA C 62 59.119 59.119 58.995 0.124 17579 9154 1 15 . 1 1 27 27 GLU CB C 62 30.052 30.052 28.893 1.159 17579 9155 1 15 . 1 1 27 27 GLU H H 62 8.493 8.493 8.445 0.048 17579 9156 1 15 . 1 1 28 28 VAL N N 63 120.585 120.585 121.190 -0.605 17579 9157 1 15 . 1 1 28 28 VAL HA H 63 3.478 3.478 3.760 -0.281 17579 9158 1 15 . 1 1 28 28 VAL C C 63 176.970 176.970 177.876 -0.906 17579 9159 1 15 . 1 1 28 28 VAL CA C 63 68.197 68.197 67.256 0.941 17579 9160 1 15 . 1 1 28 28 VAL CB C 63 31.632 31.632 32.004 -0.372 17579 9161 1 15 . 1 1 28 28 VAL H H 63 8.241 8.241 7.975 0.266 17579 9162 1 15 . 1 1 29 29 VAL N N 64 118.622 118.622 119.446 -0.824 17579 9163 1 15 . 1 1 29 29 VAL HA H 64 3.333 3.333 3.641 -0.308 17579 9164 1 15 . 1 1 29 29 VAL C C 64 177.709 177.709 178.581 -0.872 17579 9165 1 15 . 1 1 29 29 VAL CA C 64 67.751 67.751 66.494 1.257 17579 9166 1 15 . 1 1 29 29 VAL CB C 64 31.553 31.553 30.757 0.796 17579 9167 1 15 . 1 1 29 29 VAL H H 64 8.510 8.510 8.118 0.392 17579 9168 1 15 . 1 1 30 30 LYS N N 65 118.138 118.138 119.145 -1.007 17579 9169 1 15 . 1 1 30 30 LYS HA H 65 3.855 3.855 4.046 -0.191 17579 9170 1 15 . 1 1 30 30 LYS C C 65 178.693 178.693 178.829 -0.136 17579 9171 1 15 . 1 1 30 30 LYS CA C 65 59.986 59.986 58.685 1.301 17579 9172 1 15 . 1 1 30 30 LYS CB C 65 32.800 32.800 31.631 1.169 17579 9173 1 15 . 1 1 30 30 LYS H H 65 7.533 7.533 8.243 -0.710 17579 9174 1 15 . 1 1 31 31 ALA N N 66 120.585 120.585 121.161 -0.576 17579 9175 1 15 . 1 1 31 31 ALA HA H 66 4.049 4.049 4.123 -0.074 17579 9176 1 15 . 1 1 31 31 ALA C C 66 179.745 179.745 178.413 1.332 17579 9177 1 15 . 1 1 31 31 ALA CA C 66 55.288 55.288 54.482 0.806 17579 9178 1 15 . 1 1 31 31 ALA CB C 66 19.207 19.207 18.174 1.033 17579 9179 1 15 . 1 1 31 31 ALA H H 66 7.489 7.489 7.879 -0.390 17579 9180 1 15 . 1 1 32 32 LEU N N 67 119.402 119.402 115.376 4.026 17579 9181 1 15 . 1 1 32 32 LEU HA H 67 3.976 3.976 4.334 -0.358 17579 9182 1 15 . 1 1 32 32 LEU C C 67 180.917 180.917 178.338 2.579 17579 9183 1 15 . 1 1 32 32 LEU CA C 67 58.115 58.115 56.799 1.316 17579 9184 1 15 . 1 1 32 32 LEU CB C 67 42.554 42.554 41.962 0.592 17579 9185 1 15 . 1 1 32 32 LEU H H 67 8.332 8.332 7.608 0.724 17579 9186 1 15 . 1 1 33 33 ARG N N 68 116.408 116.408 119.108 -2.700 17579 9187 1 15 . 1 1 33 33 ARG HA H 68 3.787 3.787 4.174 -0.387 17579 9188 1 15 . 1 1 33 33 ARG C C 68 178.472 178.472 178.052 0.420 17579 9189 1 15 . 1 1 33 33 ARG CA C 68 59.581 59.581 58.447 1.134 17579 9190 1 15 . 1 1 33 33 ARG CB C 68 29.946 29.946 30.630 -0.684 17579 9191 1 15 . 1 1 33 33 ARG H H 68 8.147 8.147 8.106 0.041 17579 9192 1 15 . 1 1 34 34 LYS N N 69 117.866 117.866 117.801 0.065 17579 9193 1 15 . 1 1 34 34 LYS HA H 69 4.232 4.232 4.263 -0.031 17579 9194 1 15 . 1 1 34 34 LYS C C 69 177.005 177.005 176.989 0.016 17579 9195 1 15 . 1 1 34 34 LYS CA C 69 56.788 56.788 56.130 0.658 17579 9196 1 15 . 1 1 34 34 LYS CB C 69 33.008 33.008 32.621 0.387 17579 9197 1 15 . 1 1 34 34 LYS H H 69 7.606 7.606 8.159 -0.553 17579 9198 1 15 . 1 1 35 35 GLY N N 70 106.799 106.799 106.008 0.791 17579 9199 1 15 . 1 1 35 35 GLY C C 70 175.547 175.547 174.404 1.143 17579 9200 1 15 . 1 1 35 35 GLY CA C 70 45.969 45.969 45.316 0.654 17579 9201 1 15 . 1 1 35 35 GLY H H 70 7.678 7.678 8.438 -0.760 17579 9202 1 15 . 1 1 36 36 GLU N N 71 119.492 119.492 121.858 -2.366 17579 9203 1 15 . 1 1 36 36 GLU HA H 71 4.199 4.199 4.295 -0.096 17579 9204 1 15 . 1 1 36 36 GLU C C 71 175.625 175.625 175.418 0.207 17579 9205 1 15 . 1 1 36 36 GLU CA C 71 57.696 57.696 55.157 2.539 17579 9206 1 15 . 1 1 36 36 GLU CB C 71 29.620 29.620 27.998 1.622 17579 9207 1 15 . 1 1 36 36 GLU H H 71 7.686 7.686 8.554 -0.868 17579 9208 1 15 . 1 1 37 37 LYS N N 72 118.433 118.433 121.524 -3.091 17579 9209 1 15 . 1 1 37 37 LYS HA H 72 4.863 4.863 4.474 0.389 17579 9210 1 15 . 1 1 37 37 LYS C C 72 175.983 175.983 176.025 -0.042 17579 9211 1 15 . 1 1 37 37 LYS CA C 72 54.299 54.299 54.512 -0.213 17579 9212 1 15 . 1 1 37 37 LYS CB C 72 35.140 35.140 34.053 1.087 17579 9213 1 15 . 1 1 37 37 LYS H H 72 8.202 8.202 7.819 0.384 17579 9214 1 15 . 1 1 38 38 GLY N N 73 104.719 104.719 107.548 -2.829 17579 9215 1 15 . 1 1 38 38 GLY C C 73 172.071 172.071 173.180 -1.109 17579 9216 1 15 . 1 1 38 38 GLY CA C 73 46.798 46.798 45.862 0.936 17579 9217 1 15 . 1 1 38 38 GLY H H 73 7.214 7.214 8.878 -1.664 17579 9218 1 15 . 1 1 39 39 LEU N N 74 125.471 125.471 122.776 2.695 17579 9219 1 15 . 1 1 39 39 LEU HA H 74 4.992 4.992 4.978 0.014 17579 9220 1 15 . 1 1 39 39 LEU C C 74 174.651 174.651 174.603 0.048 17579 9221 1 15 . 1 1 39 39 LEU CA C 74 54.686 54.686 54.981 -0.295 17579 9222 1 15 . 1 1 39 39 LEU CB C 74 47.360 47.360 46.152 1.208 17579 9223 1 15 . 1 1 39 39 LEU H H 74 8.930 8.930 8.154 0.776 17579 9224 1 15 . 1 1 40 40 VAL N N 75 130.975 130.975 127.674 3.301 17579 9225 1 15 . 1 1 40 40 VAL HA H 75 4.649 4.649 3.944 0.705 17579 9226 1 15 . 1 1 40 40 VAL C C 75 173.868 173.868 175.556 -1.688 17579 9227 1 15 . 1 1 40 40 VAL CA C 75 62.513 62.513 61.526 0.987 17579 9228 1 15 . 1 1 40 40 VAL CB C 75 32.856 32.856 30.784 2.072 17579 9229 1 15 . 1 1 40 40 VAL H H 75 8.549 8.549 8.832 -0.283 17579 9230 1 15 . 1 1 41 41 VAL N N 76 127.452 127.452 128.377 -0.925 17579 9231 1 15 . 1 1 41 41 VAL HA H 76 4.645 4.645 4.347 0.298 17579 9232 1 15 . 1 1 41 41 VAL C C 76 173.931 173.931 175.296 -1.365 17579 9233 1 15 . 1 1 41 41 VAL CA C 76 61.015 61.015 62.315 -1.300 17579 9234 1 15 . 1 1 41 41 VAL CB C 76 33.844 33.844 31.408 2.436 17579 9235 1 15 . 1 1 41 41 VAL H H 76 8.754 8.754 8.384 0.370 17579 9236 1 15 . 1 1 42 42 ILE N N 77 126.301 126.301 128.116 -1.815 17579 9237 1 15 . 1 1 42 42 ILE HA H 77 4.455 4.455 5.166 -0.711 17579 9238 1 15 . 1 1 42 42 ILE C C 77 174.965 174.965 174.974 -0.009 17579 9239 1 15 . 1 1 42 42 ILE CA C 77 59.842 59.842 57.667 2.175 17579 9240 1 15 . 1 1 42 42 ILE CB C 77 40.257 40.257 40.858 -0.601 17579 9241 1 15 . 1 1 42 42 ILE H H 77 8.530 8.530 8.937 -0.407 17579 9242 1 15 . 1 1 43 43 ALA N N 78 128.716 128.716 128.997 -0.281 17579 9243 1 15 . 1 1 43 43 ALA HA H 78 4.469 4.469 4.916 -0.447 17579 9244 1 15 . 1 1 43 43 ALA C C 78 177.979 177.979 179.054 -1.075 17579 9245 1 15 . 1 1 43 43 ALA CA C 78 52.398 52.398 50.661 1.737 17579 9246 1 15 . 1 1 43 43 ALA CB C 78 19.600 19.600 19.075 0.525 17579 9247 1 15 . 1 1 43 43 ALA H H 78 8.538 8.538 8.376 0.162 17579 9248 1 15 . 1 1 44 44 GLY N N 79 104.343 104.343 112.166 -7.823 17579 9249 1 15 . 1 1 44 44 GLY C C 79 173.472 173.472 174.895 -1.423 17579 9250 1 15 . 1 1 44 44 GLY CA C 79 46.239 46.239 46.635 -0.396 17579 9251 1 15 . 1 1 44 44 GLY H H 79 9.090 9.090 8.614 0.476 17579 9252 1 15 . 1 1 45 45 ASP N N 80 118.154 118.154 119.480 -1.326 17579 9253 1 15 . 1 1 45 45 ASP HA H 80 4.855 4.855 4.578 0.277 17579 9254 1 15 . 1 1 45 45 ASP C C 80 176.500 176.500 175.631 0.869 17579 9255 1 15 . 1 1 45 45 ASP CA C 80 52.804 52.804 55.536 -2.732 17579 9256 1 15 . 1 1 45 45 ASP CB C 80 39.410 39.410 41.608 -2.199 17579 9257 1 15 . 1 1 45 45 ASP H H 80 8.603 8.603 8.570 0.032 17579 9258 1 15 . 1 1 46 46 ILE N N 81 118.477 118.477 120.408 -1.931 17579 9259 1 15 . 1 1 46 46 ILE HA H 81 4.073 4.073 4.313 -0.240 17579 9260 1 15 . 1 1 46 46 ILE C C 81 173.822 173.822 173.720 0.102 17579 9261 1 15 . 1 1 46 46 ILE CA C 81 59.882 59.882 60.746 -0.864 17579 9262 1 15 . 1 1 46 46 ILE CB C 81 39.136 39.136 40.074 -0.938 17579 9263 1 15 . 1 1 46 46 ILE H H 81 6.846 6.846 7.563 -0.717 17579 9264 1 15 . 1 1 47 47 SER N N 82 117.552 117.552 121.800 -4.248 17579 9265 1 15 . 1 1 47 47 SER HA H 82 4.628 4.628 4.760 -0.132 17579 9266 1 15 . 1 1 47 47 SER C C 82 176.920 176.920 172.885 4.035 17579 9267 1 15 . 1 1 47 47 SER CA C 82 55.444 55.444 55.190 0.254 17579 9268 1 15 . 1 1 47 47 SER CB C 82 65.268 65.268 64.549 0.719 17579 9269 1 15 . 1 1 47 47 SER H H 82 7.774 7.774 8.328 -0.554 17579 9270 1 15 . 1 1 48 48 PRO HA H 83 4.259 4.259 4.500 -0.241 17579 9271 1 15 . 1 1 48 48 PRO CA C 83 62.312 62.312 62.415 -0.103 17579 9272 1 15 . 1 1 48 48 PRO CB C 83 30.564 30.564 32.316 -1.752 17579 9273 1 15 . 1 1 49 49 ALA N N 84 122.207 122.207 119.219 2.988 17579 9274 1 15 . 1 1 49 49 ALA HA H 84 3.978 3.978 4.115 -0.137 17579 9275 1 15 . 1 1 49 49 ALA C C 84 178.699 178.699 178.422 0.277 17579 9276 1 15 . 1 1 49 49 ALA CA C 84 54.704 54.704 54.128 0.576 17579 9277 1 15 . 1 1 49 49 ALA CB C 84 19.393 19.393 18.564 0.829 17579 9278 1 15 . 1 1 49 49 ALA H H 84 8.091 8.091 8.513 -0.422 17579 9279 1 15 . 1 1 50 50 ASP N N 85 113.440 113.440 118.897 -5.457 17579 9280 1 15 . 1 1 50 50 ASP HA H 85 4.338 4.338 4.478 -0.140 17579 9281 1 15 . 1 1 50 50 ASP C C 85 177.723 177.723 178.626 -0.903 17579 9282 1 15 . 1 1 50 50 ASP CA C 85 56.203 56.203 57.117 -0.914 17579 9283 1 15 . 1 1 50 50 ASP CB C 85 40.562 40.562 40.789 -0.227 17579 9284 1 15 . 1 1 50 50 ASP H H 85 8.148 8.148 8.331 -0.183 17579 9285 1 15 . 1 1 51 51 VAL N N 86 116.604 116.604 120.565 -3.961 17579 9286 1 15 . 1 1 51 51 VAL HA H 86 3.925 3.925 3.748 0.177 17579 9287 1 15 . 1 1 51 51 VAL C C 86 176.966 176.966 176.922 0.044 17579 9288 1 15 . 1 1 51 51 VAL CA C 86 65.241 65.241 65.805 -0.564 17579 9289 1 15 . 1 1 51 51 VAL CB C 86 32.467 32.467 31.762 0.705 17579 9290 1 15 . 1 1 51 51 VAL H H 86 7.538 7.538 7.991 -0.453 17579 9291 1 15 . 1 1 52 52 ILE N N 87 108.211 108.211 115.348 -7.137 17579 9292 1 15 . 1 1 52 52 ILE HA H 87 4.565 4.565 3.875 0.690 17579 9293 1 15 . 1 1 52 52 ILE C C 87 178.116 178.116 176.692 1.424 17579 9294 1 15 . 1 1 52 52 ILE CA C 87 60.165 60.165 63.664 -3.499 17579 9295 1 15 . 1 1 52 52 ILE CB C 87 41.048 41.048 37.384 3.664 17579 9296 1 15 . 1 1 52 52 ILE H H 87 7.283 7.283 7.689 -0.406 17579 9297 1 15 . 1 1 53 53 SER N N 88 116.088 116.088 116.009 0.079 17579 9298 1 15 . 1 1 53 53 SER HA H 88 4.538 4.538 4.365 0.173 17579 9299 1 15 . 1 1 53 53 SER CA C 88 61.852 61.852 61.042 0.810 17579 9300 1 15 . 1 1 53 53 SER CB C 88 62.604 62.604 64.247 -1.643 17579 9301 1 15 . 1 1 53 53 SER H H 88 7.845 7.845 7.649 0.196 17579 9302 1 15 . 1 1 54 54 HIS N N 89 121.004 121.004 121.306 -0.302 17579 9303 1 15 . 1 1 54 54 HIS HA H 89 4.590 4.590 4.436 0.154 17579 9304 1 15 . 1 1 54 54 HIS C C 89 176.530 176.530 177.417 -0.887 17579 9305 1 15 . 1 1 54 54 HIS CA C 89 56.554 56.554 59.261 -2.707 17579 9306 1 15 . 1 1 54 54 HIS CB C 89 33.261 33.261 30.371 2.890 17579 9307 1 15 . 1 1 54 54 HIS H H 89 8.450 8.450 8.246 0.204 17579 9308 1 15 . 1 1 55 55 ILE N N 90 123.909 123.909 121.652 2.257 17579 9309 1 15 . 1 1 55 55 ILE HA H 90 4.583 4.583 3.724 0.859 17579 9310 1 15 . 1 1 55 55 ILE CA C 90 62.230 62.230 66.209 -3.979 17579 9311 1 15 . 1 1 55 55 ILE CB C 90 42.418 42.418 34.801 7.617 17579 9312 1 15 . 1 1 55 55 ILE H H 90 8.142 8.142 8.703 -0.561 17579 9313 1 15 . 1 1 56 56 PRO HA H 91 2.974 2.974 4.289 -1.315 17579 9314 1 15 . 1 1 56 56 PRO C C 91 177.132 177.132 179.207 -2.075 17579 9315 1 15 . 1 1 56 56 PRO CA C 91 66.917 66.917 65.816 1.101 17579 9316 1 15 . 1 1 56 56 PRO CB C 91 31.519 31.519 31.190 0.329 17579 9317 1 15 . 1 1 57 57 VAL N N 92 114.761 114.761 119.347 -4.586 17579 9318 1 15 . 1 1 57 57 VAL HA H 92 3.570 3.570 3.634 -0.064 17579 9319 1 15 . 1 1 57 57 VAL C C 92 177.995 177.995 178.000 -0.005 17579 9320 1 15 . 1 1 57 57 VAL CA C 92 66.358 66.358 66.569 -0.211 17579 9321 1 15 . 1 1 57 57 VAL CB C 92 31.694 31.694 31.617 0.077 17579 9322 1 15 . 1 1 57 57 VAL H H 92 6.505 6.505 7.083 -0.578 17579 9323 1 15 . 1 1 58 58 LEU N N 93 120.572 120.572 118.118 2.454 17579 9324 1 15 . 1 1 58 58 LEU HA H 93 4.200 4.200 4.175 0.025 17579 9325 1 15 . 1 1 58 58 LEU C C 93 180.452 180.452 178.516 1.936 17579 9326 1 15 . 1 1 58 58 LEU CA C 93 57.938 57.938 58.153 -0.215 17579 9327 1 15 . 1 1 58 58 LEU CB C 93 43.394 43.394 41.225 2.169 17579 9328 1 15 . 1 1 58 58 LEU H H 93 7.432 7.432 8.408 -0.976 17579 9329 1 15 . 1 1 59 59 CYS N N 94 117.330 117.330 118.784 -1.454 17579 9330 1 15 . 1 1 59 59 CYS HA H 94 3.827 3.827 4.190 -0.363 17579 9331 1 15 . 1 1 59 59 CYS C C 94 177.986 177.986 176.991 0.995 17579 9332 1 15 . 1 1 59 59 CYS CA C 94 65.483 65.483 63.362 2.121 17579 9333 1 15 . 1 1 59 59 CYS CB C 94 26.552 26.552 26.990 -0.438 17579 9334 1 15 . 1 1 59 59 CYS H H 94 8.423 8.423 8.201 0.222 17579 9335 1 15 . 1 1 60 60 GLU N N 95 120.766 120.766 119.773 0.993 17579 9336 1 15 . 1 1 60 60 GLU HA H 95 3.512 3.512 4.171 -0.659 17579 9337 1 15 . 1 1 60 60 GLU C C 95 180.736 180.736 177.171 3.565 17579 9338 1 15 . 1 1 60 60 GLU CA C 95 59.909 59.909 58.445 1.464 17579 9339 1 15 . 1 1 60 60 GLU CB C 95 29.108 29.108 29.793 -0.685 17579 9340 1 15 . 1 1 60 60 GLU H H 95 8.237 8.237 7.932 0.305 17579 9341 1 15 . 1 1 61 61 ASP N N 96 120.591 120.591 119.357 1.234 17579 9342 1 15 . 1 1 61 61 ASP HA H 96 4.311 4.311 4.388 -0.077 17579 9343 1 15 . 1 1 61 61 ASP C C 96 178.004 178.004 177.344 0.660 17579 9344 1 15 . 1 1 61 61 ASP CA C 96 57.549 57.549 56.048 1.501 17579 9345 1 15 . 1 1 61 61 ASP CB C 96 41.083 41.083 41.323 -0.240 17579 9346 1 15 . 1 1 61 61 ASP H H 96 8.345 8.345 7.864 0.481 17579 9347 1 15 . 1 1 62 62 HIS N N 97 115.844 115.844 115.642 0.202 17579 9348 1 15 . 1 1 62 62 HIS HA H 97 4.575 4.575 4.835 -0.260 17579 9349 1 15 . 1 1 62 62 HIS C C 97 173.728 173.728 173.940 -0.212 17579 9350 1 15 . 1 1 62 62 HIS CA C 97 57.418 57.418 55.423 1.995 17579 9351 1 15 . 1 1 62 62 HIS CB C 97 30.067 30.067 31.254 -1.187 17579 9352 1 15 . 1 1 62 62 HIS H H 97 7.663 7.663 7.913 -0.250 17579 9353 1 15 . 1 1 63 63 SER N N 98 114.813 114.813 112.545 2.268 17579 9354 1 15 . 1 1 63 63 SER HA H 98 4.097 4.097 4.125 -0.028 17579 9355 1 15 . 1 1 63 63 SER C C 98 173.789 173.789 174.423 -0.634 17579 9356 1 15 . 1 1 63 63 SER CA C 98 59.255 59.255 58.589 0.666 17579 9357 1 15 . 1 1 63 63 SER CB C 98 61.602 61.602 61.407 0.195 17579 9358 1 15 . 1 1 63 63 SER H H 98 7.861 7.861 7.481 0.380 17579 9359 1 15 . 1 1 64 64 VAL N N 99 123.227 123.227 121.422 1.805 17579 9360 1 15 . 1 1 64 64 VAL HA H 99 4.157 4.157 4.078 0.079 17579 9361 1 15 . 1 1 64 64 VAL C C 99 174.345 174.345 175.155 -0.810 17579 9362 1 15 . 1 1 64 64 VAL CA C 99 58.923 58.923 62.303 -3.380 17579 9363 1 15 . 1 1 64 64 VAL CB C 99 35.133 35.133 33.011 2.122 17579 9364 1 15 . 1 1 64 64 VAL H H 99 8.603 8.603 7.450 1.153 17579 9365 1 15 . 1 1 65 65 PRO HA H 100 4.260 4.260 4.444 -0.184 17579 9366 1 15 . 1 1 65 65 PRO C C 100 173.335 173.335 175.159 -1.824 17579 9367 1 15 . 1 1 65 65 PRO CA C 100 63.165 63.165 63.037 0.128 17579 9368 1 15 . 1 1 65 65 PRO CB C 100 32.083 32.083 30.009 2.075 17579 9369 1 15 . 1 1 66 66 TYR N N 101 114.840 114.840 124.164 -9.324 17579 9370 1 15 . 1 1 66 66 TYR HA H 101 5.900 5.900 4.776 1.124 17579 9371 1 15 . 1 1 66 66 TYR C C 101 170.503 170.503 173.553 -3.050 17579 9372 1 15 . 1 1 66 66 TYR CA C 101 53.986 53.986 56.420 -2.434 17579 9373 1 15 . 1 1 66 66 TYR CB C 101 41.998 41.998 40.907 1.091 17579 9374 1 15 . 1 1 66 66 TYR H H 101 6.219 6.219 7.988 -1.769 17579 9375 1 15 . 1 1 67 67 ILE N N 102 112.118 112.118 125.710 -13.592 17579 9376 1 15 . 1 1 67 67 ILE HA H 102 4.488 4.488 4.180 0.308 17579 9377 1 15 . 1 1 67 67 ILE C C 102 171.963 171.963 173.349 -1.386 17579 9378 1 15 . 1 1 67 67 ILE CA C 102 55.343 55.343 58.686 -3.343 17579 9379 1 15 . 1 1 67 67 ILE CB C 102 43.317 43.317 41.879 1.438 17579 9380 1 15 . 1 1 67 67 ILE H H 102 7.954 7.954 8.783 -0.829 17579 9381 1 15 . 1 1 68 68 PHE N N 103 122.272 122.272 123.653 -1.381 17579 9382 1 15 . 1 1 68 68 PHE HA H 103 5.945 5.945 5.386 0.559 17579 9383 1 15 . 1 1 68 68 PHE C C 103 176.374 176.374 173.806 2.568 17579 9384 1 15 . 1 1 68 68 PHE CA C 103 56.520 56.520 54.850 1.670 17579 9385 1 15 . 1 1 68 68 PHE CB C 103 40.518 40.518 41.816 -1.298 17579 9386 1 15 . 1 1 68 68 PHE H H 103 8.087 8.087 7.995 0.092 17579 9387 1 15 . 1 1 69 69 ILE N N 104 114.672 114.672 116.690 -2.018 17579 9388 1 15 . 1 1 69 69 ILE HA H 104 2.991 2.991 4.511 -1.520 17579 9389 1 15 . 1 1 69 69 ILE C C 104 175.387 175.387 174.121 1.266 17579 9390 1 15 . 1 1 69 69 ILE CA C 104 57.903 57.903 58.029 -0.126 17579 9391 1 15 . 1 1 69 69 ILE CB C 104 38.207 38.207 40.802 -2.595 17579 9392 1 15 . 1 1 69 69 ILE H H 104 8.847 8.847 8.825 0.022 17579 9393 1 15 . 1 1 70 70 PRO HA H 105 3.918 3.918 4.553 -0.635 17579 9394 1 15 . 1 1 70 70 PRO C C 105 177.442 177.442 176.270 1.172 17579 9395 1 15 . 1 1 70 70 PRO CA C 105 64.823 64.823 62.833 1.990 17579 9396 1 15 . 1 1 70 70 PRO CB C 105 35.906 35.906 30.033 5.873 17579 9397 1 15 . 1 1 71 71 SER N N 106 113.113 113.113 117.112 -3.999 17579 9398 1 15 . 1 1 71 71 SER HA H 106 4.261 4.261 4.769 -0.508 17579 9399 1 15 . 1 1 71 71 SER C C 106 175.111 175.111 174.562 0.549 17579 9400 1 15 . 1 1 71 71 SER CA C 106 60.111 60.111 58.503 1.608 17579 9401 1 15 . 1 1 71 71 SER CB C 106 63.687 63.687 64.771 -1.084 17579 9402 1 15 . 1 1 71 71 SER H H 106 7.904 7.904 8.238 -0.334 17579 9403 1 15 . 1 1 72 72 LYS N N 107 119.830 119.830 126.550 -6.720 17579 9404 1 15 . 1 1 72 72 LYS HA H 107 4.187 4.187 3.887 0.300 17579 9405 1 15 . 1 1 72 72 LYS CA C 107 58.783 58.783 60.298 -1.516 17579 9406 1 15 . 1 1 72 72 LYS CB C 107 30.951 30.951 32.148 -1.197 17579 9407 1 15 . 1 1 72 72 LYS H H 107 8.314 8.314 8.582 -0.268 17579 9408 1 15 . 1 1 73 73 GLN N N 108 123.860 123.860 119.390 4.470 17579 9409 1 15 . 1 1 73 73 GLN HA H 108 4.001 4.001 4.062 -0.061 17579 9410 1 15 . 1 1 73 73 GLN CA C 108 58.831 58.831 59.116 -0.285 17579 9411 1 15 . 1 1 73 73 GLN CB C 108 28.451 28.451 28.244 0.207 17579 9412 1 15 . 1 1 73 73 GLN H H 108 8.510 8.510 8.628 -0.118 17579 9413 1 15 . 1 1 74 74 ASP N N 109 121.145 121.145 120.935 0.210 17579 9414 1 15 . 1 1 74 74 ASP HA H 109 4.389 4.389 4.386 0.003 17579 9415 1 15 . 1 1 74 74 ASP C C 109 178.552 178.552 178.694 -0.142 17579 9416 1 15 . 1 1 74 74 ASP H H 109 7.966 7.966 7.503 0.463 17579 9417 1 15 . 1 1 75 75 LEU N N 110 121.098 121.098 121.076 0.022 17579 9418 1 15 . 1 1 75 75 LEU HA H 110 3.955 3.955 4.031 -0.076 17579 9419 1 15 . 1 1 75 75 LEU C C 110 178.953 178.953 179.139 -0.186 17579 9420 1 15 . 1 1 75 75 LEU CA C 110 56.538 56.538 58.082 -1.544 17579 9421 1 15 . 1 1 75 75 LEU CB C 110 40.845 40.845 41.332 -0.487 17579 9422 1 15 . 1 1 75 75 LEU H H 110 7.932 7.932 8.412 -0.480 17579 9423 1 15 . 1 1 76 76 GLY N N 111 105.659 105.659 105.630 0.029 17579 9424 1 15 . 1 1 76 76 GLY C C 111 175.510 175.510 175.768 -0.258 17579 9425 1 15 . 1 1 76 76 GLY CA C 111 47.037 47.037 46.930 0.107 17579 9426 1 15 . 1 1 76 76 GLY H H 111 8.006 8.006 8.475 -0.469 17579 9427 1 15 . 1 1 77 77 ALA N N 112 122.987 122.987 124.195 -1.208 17579 9428 1 15 . 1 1 77 77 ALA HA H 112 4.112 4.112 4.196 -0.084 17579 9429 1 15 . 1 1 77 77 ALA C C 112 179.350 179.350 178.816 0.534 17579 9430 1 15 . 1 1 77 77 ALA CA C 112 53.930 53.930 54.355 -0.425 17579 9431 1 15 . 1 1 77 77 ALA CB C 112 18.727 18.727 18.179 0.548 17579 9432 1 15 . 1 1 77 77 ALA H H 112 7.824 7.824 7.763 0.061 17579 9433 1 15 . 1 1 78 78 ALA N N 113 121.466 121.466 120.567 0.899 17579 9434 1 15 . 1 1 78 78 ALA HA H 113 4.189 4.189 4.135 0.054 17579 9435 1 15 . 1 1 78 78 ALA C C 113 177.368 177.368 178.596 -1.228 17579 9436 1 15 . 1 1 78 78 ALA CA C 113 53.750 53.750 54.418 -0.668 17579 9437 1 15 . 1 1 78 78 ALA CB C 113 19.231 19.231 19.579 -0.348 17579 9438 1 15 . 1 1 78 78 ALA H H 113 7.785 7.785 7.829 -0.044 17579 9439 1 15 . 1 1 79 79 GLY N N 114 104.016 104.016 104.853 -0.837 17579 9440 1 15 . 1 1 79 79 GLY CA C 114 45.256 45.256 45.553 -0.297 17579 9441 1 15 . 1 1 79 79 GLY H H 114 7.742 7.742 8.152 -0.410 17579 9442 1 15 . 1 1 80 80 ALA HA H 115 4.100 4.100 4.590 -0.490 17579 9443 1 15 . 1 1 80 80 ALA C C 115 176.526 176.526 175.929 0.597 17579 9444 1 15 . 1 1 80 80 ALA CA C 115 53.482 53.482 52.211 1.271 17579 9445 1 15 . 1 1 80 80 ALA CB C 115 19.825 19.825 19.757 0.068 17579 9446 1 15 . 1 1 81 81 THR N N 116 116.236 116.236 115.587 0.649 17579 9447 1 15 . 1 1 81 81 THR HA H 116 4.718 4.718 3.974 0.744 17579 9448 1 15 . 1 1 81 81 THR CA C 116 57.275 57.275 64.276 -7.001 17579 9449 1 15 . 1 1 81 81 THR CB C 116 64.878 64.878 68.850 -3.973 17579 9450 1 15 . 1 1 81 81 THR H H 116 8.068 8.068 8.377 -0.309 17579 9451 1 15 . 1 1 84 84 PRO HA H 119 4.072 4.072 4.571 -0.499 17579 9452 1 15 . 1 1 84 84 PRO CB C 119 32.154 32.154 32.935 -0.781 17579 9453 1 15 . 1 1 85 85 THR N N 120 119.680 119.680 112.113 7.567 17579 9454 1 15 . 1 1 85 85 THR C C 120 175.333 175.333 173.928 1.405 17579 9455 1 15 . 1 1 85 85 THR CB C 120 71.769 71.769 70.359 1.411 17579 9456 1 15 . 1 1 85 85 THR H H 120 8.002 8.002 8.015 -0.013 17579 9457 1 15 . 1 1 86 86 SER N N 121 115.589 115.589 114.646 0.943 17579 9458 1 15 . 1 1 86 86 SER HA H 121 4.325 4.325 4.623 -0.298 17579 9459 1 15 . 1 1 86 86 SER C C 121 172.929 172.929 173.615 -0.686 17579 9460 1 15 . 1 1 86 86 SER CA C 121 59.722 59.722 58.666 1.056 17579 9461 1 15 . 1 1 86 86 SER CB C 121 64.608 64.608 64.228 0.380 17579 9462 1 15 . 1 1 86 86 SER H H 121 7.335 7.335 8.396 -1.061 17579 9463 1 15 . 1 1 87 87 VAL N N 122 116.044 116.044 118.101 -2.057 17579 9464 1 15 . 1 1 87 87 VAL HA H 122 5.200 5.200 4.607 0.593 17579 9465 1 15 . 1 1 87 87 VAL C C 122 172.465 172.465 174.030 -1.565 17579 9466 1 15 . 1 1 87 87 VAL CA C 122 59.819 59.819 61.423 -1.604 17579 9467 1 15 . 1 1 87 87 VAL CB C 122 33.368 33.368 33.513 -0.145 17579 9468 1 15 . 1 1 87 87 VAL H H 122 7.152 7.152 7.292 -0.140 17579 9469 1 15 . 1 1 88 88 VAL N N 123 119.350 119.350 125.034 -5.684 17579 9470 1 15 . 1 1 88 88 VAL HA H 123 5.091 5.091 4.623 0.468 17579 9471 1 15 . 1 1 88 88 VAL C C 123 173.214 173.214 174.165 -0.951 17579 9472 1 15 . 1 1 88 88 VAL CA C 123 59.219 59.219 60.774 -1.555 17579 9473 1 15 . 1 1 88 88 VAL CB C 123 36.362 36.362 36.366 -0.004 17579 9474 1 15 . 1 1 88 88 VAL H H 123 8.851 8.851 8.713 0.138 17579 9475 1 15 . 1 1 89 89 PHE N N 124 122.568 122.568 124.798 -2.230 17579 9476 1 15 . 1 1 89 89 PHE HA H 124 5.613 5.613 5.238 0.375 17579 9477 1 15 . 1 1 89 89 PHE C C 124 174.887 174.887 175.012 -0.125 17579 9478 1 15 . 1 1 89 89 PHE CA C 124 52.961 52.961 56.274 -3.313 17579 9479 1 15 . 1 1 89 89 PHE CB C 124 42.788 42.788 42.817 -0.029 17579 9480 1 15 . 1 1 89 89 PHE H H 124 9.051 9.051 9.215 -0.164 17579 9481 1 15 . 1 1 90 90 ILE N N 125 127.707 127.707 127.756 -0.049 17579 9482 1 15 . 1 1 90 90 ILE HA H 125 4.264 4.264 4.287 -0.023 17579 9483 1 15 . 1 1 90 90 ILE C C 125 173.870 173.870 175.501 -1.631 17579 9484 1 15 . 1 1 90 90 ILE CA C 125 61.789 61.789 59.830 1.959 17579 9485 1 15 . 1 1 90 90 ILE CB C 125 39.785 39.785 37.729 2.056 17579 9486 1 15 . 1 1 90 90 ILE H H 125 9.477 9.477 9.413 0.064 17579 9487 1 15 . 1 1 91 91 VAL N N 126 126.579 126.579 121.839 4.740 17579 9488 1 15 . 1 1 91 91 VAL HA H 126 4.566 4.566 4.729 -0.163 17579 9489 1 15 . 1 1 91 91 VAL C C 126 173.829 173.829 173.590 0.239 17579 9490 1 15 . 1 1 91 91 VAL CA C 126 58.701 58.701 58.226 0.475 17579 9491 1 15 . 1 1 91 91 VAL CB C 126 32.989 32.989 33.721 -0.732 17579 9492 1 15 . 1 1 91 91 VAL H H 126 8.149 8.149 8.506 -0.357 17579 9493 1 15 . 1 1 92 92 PRO HA H 127 4.035 4.035 4.623 -0.588 17579 9494 1 15 . 1 1 92 92 PRO C C 127 177.766 177.766 177.219 0.547 17579 9495 1 15 . 1 1 92 92 PRO CA C 127 63.684 63.684 62.532 1.152 17579 9496 1 15 . 1 1 92 92 PRO CB C 127 32.178 32.178 32.325 -0.147 17579 9497 1 15 . 1 1 93 93 GLY N N 128 108.618 108.618 112.944 -4.326 17579 9498 1 15 . 1 1 93 93 GLY CA C 128 45.787 45.787 45.622 0.165 17579 9499 1 15 . 1 1 93 93 GLY H H 128 7.970 7.970 8.579 -0.609 17579 9500 1 15 . 1 1 94 94 SER N N 129 113.620 113.620 111.921 1.699 17579 9501 1 15 . 1 1 94 94 SER HA H 129 4.317 4.317 4.610 -0.293 17579 9502 1 15 . 1 1 94 94 SER C C 129 180.379 180.379 173.705 6.674 17579 9503 1 15 . 1 1 94 94 SER CA C 129 58.566 58.566 57.311 1.255 17579 9504 1 15 . 1 1 94 94 SER H H 129 7.952 7.952 7.610 0.342 17579 9505 1 15 . 1 1 95 95 ASN N N 130 120.775 120.775 122.216 -1.441 17579 9506 1 15 . 1 1 95 95 ASN HA H 130 3.964 3.964 4.579 -0.615 17579 9507 1 15 . 1 1 95 95 ASN C C 130 178.664 178.664 175.718 2.946 17579 9508 1 15 . 1 1 95 95 ASN CA C 130 57.689 57.689 55.549 2.140 17579 9509 1 15 . 1 1 95 95 ASN CB C 130 42.288 42.288 38.274 4.014 17579 9510 1 15 . 1 1 95 95 ASN H H 130 8.300 8.300 8.736 -0.436 17579 9511 1 15 . 1 1 96 96 LYS N N 131 119.316 119.316 118.156 1.160 17579 9512 1 15 . 1 1 96 96 LYS HA H 131 4.095 4.095 4.193 -0.098 17579 9513 1 15 . 1 1 96 96 LYS C C 131 178.290 178.290 177.194 1.096 17579 9514 1 15 . 1 1 96 96 LYS CA C 131 59.062 59.062 57.889 1.173 17579 9515 1 15 . 1 1 96 96 LYS CB C 131 29.745 29.745 32.357 -2.612 17579 9516 1 15 . 1 1 96 96 LYS H H 131 7.896 7.896 8.045 -0.149 17579 9517 1 15 . 1 1 97 97 LYS N N 132 117.523 117.523 119.076 -1.553 17579 9518 1 15 . 1 1 97 97 LYS C C 132 176.927 176.927 178.139 -1.212 17579 9519 1 15 . 1 1 97 97 LYS CA C 132 58.555 58.555 57.911 0.644 17579 9520 1 15 . 1 1 97 97 LYS CB C 132 30.578 30.578 33.189 -2.611 17579 9521 1 15 . 1 1 97 97 LYS H H 132 7.791 7.791 7.664 0.127 17579 9522 1 15 . 1 1 98 98 LYS HA H 133 4.236 4.236 4.357 -0.121 17579 9523 1 15 . 1 1 98 98 LYS C C 133 176.606 176.606 176.850 -0.244 17579 9524 1 15 . 1 1 98 98 LYS CA C 133 57.225 57.225 56.469 0.756 17579 9525 1 15 . 1 1 98 98 LYS CB C 133 33.151 33.151 32.148 1.003 17579 9526 1 15 . 1 1 99 99 ASP N N 134 120.311 120.311 118.406 1.905 17579 9527 1 15 . 1 1 99 99 ASP HA H 134 4.584 4.584 4.520 0.064 17579 9528 1 15 . 1 1 99 99 ASP C C 134 176.899 176.899 176.541 0.358 17579 9529 1 15 . 1 1 99 99 ASP CA C 134 54.402 54.402 54.393 0.009 17579 9530 1 15 . 1 1 99 99 ASP CB C 134 41.568 41.568 41.290 0.278 17579 9531 1 15 . 1 1 99 99 ASP H H 134 8.267 8.267 7.502 0.765 17579 9532 1 15 . 1 1 100 100 GLY N N 135 108.751 108.751 107.712 1.039 17579 9533 1 15 . 1 1 100 100 GLY C C 135 174.683 174.683 174.416 0.267 17579 9534 1 15 . 1 1 100 100 GLY CA C 135 45.985 45.985 44.883 1.101 17579 9535 1 15 . 1 1 100 100 GLY H H 135 8.235 8.235 7.688 0.547 17579 9536 1 15 . 1 1 101 101 LYS N N 136 120.306 120.306 119.942 0.364 17579 9537 1 15 . 1 1 101 101 LYS HA H 136 4.279 4.279 4.378 -0.099 17579 9538 1 15 . 1 1 101 101 LYS C C 136 175.145 175.145 176.473 -1.328 17579 9539 1 15 . 1 1 101 101 LYS CA C 136 56.875 56.875 56.218 0.657 17579 9540 1 15 . 1 1 101 101 LYS CB C 136 32.987 32.987 34.160 -1.173 17579 9541 1 15 . 1 1 101 101 LYS H H 136 8.148 8.148 8.395 -0.247 17579 9542 1 15 . 1 1 102 102 ASN N N 137 118.958 118.958 116.259 2.699 17579 9543 1 15 . 1 1 102 102 ASN HA H 137 4.707 4.707 4.787 -0.080 17579 9544 1 15 . 1 1 102 102 ASN C C 137 175.849 175.849 173.690 2.159 17579 9545 1 15 . 1 1 102 102 ASN CA C 137 53.816 53.816 53.802 0.014 17579 9546 1 15 . 1 1 102 102 ASN CB C 137 39.070 39.070 40.240 -1.170 17579 9547 1 15 . 1 1 102 102 ASN H H 137 8.406 8.406 7.856 0.550 17579 9548 1 15 . 1 1 103 103 LYS N N 138 121.782 121.782 118.793 2.989 17579 9549 1 15 . 1 1 103 103 LYS HA H 138 4.255 4.255 4.031 0.224 17579 9550 1 15 . 1 1 103 103 LYS CA C 138 56.641 56.641 58.010 -1.369 17579 9551 1 15 . 1 1 103 103 LYS CB C 138 32.911 32.911 30.378 2.533 17579 9552 1 15 . 1 1 103 103 LYS H H 138 8.316 8.316 8.724 -0.408 17579 9553 1 15 . 1 1 104 104 GLU N N 139 121.053 121.053 120.128 0.925 17579 9554 1 15 . 1 1 104 104 GLU CA C 139 57.449 57.449 59.134 -1.685 17579 9555 1 15 . 1 1 104 104 GLU CB C 139 29.983 29.983 29.137 0.846 17579 9556 1 15 . 1 1 104 104 GLU H H 139 8.459 8.459 8.778 -0.319 17579 9557 1 15 . 1 1 106 106 GLU N N 141 122.191 122.191 119.695 2.496 17579 9558 1 15 . 1 1 106 106 GLU HA H 141 4.268 4.268 4.094 0.174 17579 9559 1 15 . 1 1 106 106 GLU CA C 141 64.025 64.025 59.904 4.121 17579 9560 1 15 . 1 1 106 106 GLU CB C 141 32.117 32.117 29.241 2.877 17579 9561 1 15 . 1 1 106 106 GLU H H 141 8.291 8.291 8.728 -0.437 17579 9562 1 15 . 1 1 107 107 TYR N N 142 115.802 115.802 119.165 -3.363 17579 9563 1 15 . 1 1 107 107 TYR HA H 142 4.996 4.996 4.292 0.705 17579 9564 1 15 . 1 1 107 107 TYR C C 142 175.381 175.381 177.483 -2.102 17579 9565 1 15 . 1 1 107 107 TYR CA C 142 57.581 57.581 60.700 -3.119 17579 9566 1 15 . 1 1 107 107 TYR CB C 142 39.533 39.533 38.146 1.387 17579 9567 1 15 . 1 1 107 107 TYR H H 142 7.344 7.344 8.463 -1.119 17579 9568 1 15 . 1 1 108 108 LYS N N 143 123.473 123.473 119.639 3.834 17579 9569 1 15 . 1 1 108 108 LYS HA H 143 3.628 3.628 3.131 0.497 17579 9570 1 15 . 1 1 108 108 LYS C C 143 177.659 177.659 178.311 -0.652 17579 9571 1 15 . 1 1 108 108 LYS CA C 143 59.988 59.988 59.605 0.383 17579 9572 1 15 . 1 1 108 108 LYS CB C 143 32.294 32.294 32.016 0.278 17579 9573 1 15 . 1 1 108 108 LYS H H 143 7.376 7.376 7.859 -0.483 17579 9574 1 15 . 1 1 109 109 GLU N N 144 118.799 118.799 119.555 -0.756 17579 9575 1 15 . 1 1 109 109 GLU HA H 144 4.048 4.048 3.967 0.081 17579 9576 1 15 . 1 1 109 109 GLU C C 144 179.583 179.583 178.864 0.719 17579 9577 1 15 . 1 1 109 109 GLU CA C 144 60.200 60.200 59.034 1.166 17579 9578 1 15 . 1 1 109 109 GLU CB C 144 29.237 29.237 29.138 0.099 17579 9579 1 15 . 1 1 109 109 GLU H H 144 8.558 8.558 8.190 0.368 17579 9580 1 15 . 1 1 110 110 SER N N 145 116.121 116.121 116.290 -0.169 17579 9581 1 15 . 1 1 110 110 SER HA H 145 4.319 4.319 4.134 0.185 17579 9582 1 15 . 1 1 110 110 SER C C 145 176.522 176.522 176.934 -0.412 17579 9583 1 15 . 1 1 110 110 SER CA C 145 61.990 61.990 61.862 0.128 17579 9584 1 15 . 1 1 110 110 SER CB C 145 63.293 63.293 63.092 0.202 17579 9585 1 15 . 1 1 110 110 SER H H 145 8.094 8.094 7.877 0.217 17579 9586 1 15 . 1 1 111 111 PHE N N 146 122.311 122.311 122.565 -0.254 17579 9587 1 15 . 1 1 111 111 PHE HA H 146 4.021 4.021 4.229 -0.208 17579 9588 1 15 . 1 1 111 111 PHE C C 146 176.001 176.001 176.834 -0.833 17579 9589 1 15 . 1 1 111 111 PHE CA C 146 62.504 62.504 60.049 2.455 17579 9590 1 15 . 1 1 111 111 PHE CB C 146 39.861 39.861 38.796 1.065 17579 9591 1 15 . 1 1 111 111 PHE H H 146 8.536 8.536 8.202 0.334 17579 9592 1 15 . 1 1 112 112 ASN N N 147 117.908 117.908 117.319 0.589 17579 9593 1 15 . 1 1 112 112 ASN HA H 147 4.252 4.252 4.148 0.104 17579 9594 1 15 . 1 1 112 112 ASN C C 147 178.315 178.315 177.345 0.970 17579 9595 1 15 . 1 1 112 112 ASN CA C 147 56.226 56.226 56.722 -0.496 17579 9596 1 15 . 1 1 112 112 ASN CB C 147 37.990 37.990 38.437 -0.447 17579 9597 1 15 . 1 1 112 112 ASN H H 147 8.795 8.795 8.572 0.223 17579 9598 1 15 . 1 1 113 113 GLU N N 148 119.868 119.868 120.504 -0.636 17579 9599 1 15 . 1 1 113 113 GLU HA H 148 4.024 4.024 4.041 -0.017 17579 9600 1 15 . 1 1 113 113 GLU C C 148 179.410 179.410 178.804 0.606 17579 9601 1 15 . 1 1 113 113 GLU CA C 148 59.710 59.710 59.235 0.475 17579 9602 1 15 . 1 1 113 113 GLU CB C 148 30.063 30.063 29.523 0.541 17579 9603 1 15 . 1 1 113 113 GLU H H 148 7.764 7.764 7.877 -0.113 17579 9604 1 15 . 1 1 114 114 VAL N N 149 119.684 119.684 118.384 1.300 17579 9605 1 15 . 1 1 114 114 VAL HA H 149 3.544 3.544 3.729 -0.185 17579 9606 1 15 . 1 1 114 114 VAL C C 149 177.613 177.613 178.010 -0.397 17579 9607 1 15 . 1 1 114 114 VAL CA C 149 66.977 66.977 65.727 1.250 17579 9608 1 15 . 1 1 114 114 VAL CB C 149 30.605 30.605 30.682 -0.077 17579 9609 1 15 . 1 1 114 114 VAL H H 149 7.973 7.973 7.974 -0.001 17579 9610 1 15 . 1 1 115 115 VAL N N 150 119.782 119.782 121.209 -1.427 17579 9611 1 15 . 1 1 115 115 VAL HA H 150 3.164 3.164 3.470 -0.306 17579 9612 1 15 . 1 1 115 115 VAL C C 150 177.499 177.499 177.997 -0.498 17579 9613 1 15 . 1 1 115 115 VAL CA C 150 68.301 68.301 66.727 1.574 17579 9614 1 15 . 1 1 115 115 VAL CB C 150 31.483 31.483 30.378 1.105 17579 9615 1 15 . 1 1 115 115 VAL H H 150 8.452 8.452 8.524 -0.072 17579 9616 1 15 . 1 1 116 116 LYS N N 151 118.842 118.842 119.155 -0.313 17579 9617 1 15 . 1 1 116 116 LYS HA H 151 4.024 4.024 3.947 0.077 17579 9618 1 15 . 1 1 116 116 LYS C C 151 179.862 179.862 179.533 0.329 17579 9619 1 15 . 1 1 116 116 LYS CA C 151 59.947 59.947 59.666 0.280 17579 9620 1 15 . 1 1 116 116 LYS CB C 151 32.481 32.481 31.841 0.640 17579 9621 1 15 . 1 1 116 116 LYS H H 151 7.595 7.595 7.771 -0.176 17579 9622 1 15 . 1 1 117 117 GLU N N 152 120.243 120.243 119.932 0.311 17579 9623 1 15 . 1 1 117 117 GLU HA H 152 4.052 4.052 4.154 -0.102 17579 9624 1 15 . 1 1 117 117 GLU C C 152 179.528 179.528 178.877 0.651 17579 9625 1 15 . 1 1 117 117 GLU CA C 152 60.178 60.178 59.063 1.115 17579 9626 1 15 . 1 1 117 117 GLU CB C 152 29.949 29.949 29.366 0.583 17579 9627 1 15 . 1 1 117 117 GLU H H 152 7.513 7.513 8.054 -0.541 17579 9628 1 15 . 1 1 118 118 VAL N N 153 120.596 120.596 119.149 1.447 17579 9629 1 15 . 1 1 118 118 VAL HA H 153 3.464 3.464 3.705 -0.241 17579 9630 1 15 . 1 1 118 118 VAL C C 153 177.984 177.984 177.283 0.701 17579 9631 1 15 . 1 1 118 118 VAL CA C 153 68.047 68.047 65.331 2.716 17579 9632 1 15 . 1 1 118 118 VAL CB C 153 32.056 32.056 31.662 0.394 17579 9633 1 15 . 1 1 118 118 VAL H H 153 8.649 8.649 7.823 0.826 17579 9634 1 15 . 1 1 119 119 GLN N N 154 118.317 118.317 118.088 0.229 17579 9635 1 15 . 1 1 119 119 GLN HA H 154 3.986 3.986 4.155 -0.169 17579 9636 1 15 . 1 1 119 119 GLN C C 154 178.984 178.984 177.495 1.489 17579 9637 1 15 . 1 1 119 119 GLN CA C 154 59.716 59.716 57.990 1.726 17579 9638 1 15 . 1 1 119 119 GLN CB C 154 28.261 28.261 29.394 -1.133 17579 9639 1 15 . 1 1 119 119 GLN H H 154 8.947 8.947 7.892 1.055 17579 9640 1 15 . 1 1 120 120 ALA N N 155 120.688 120.688 122.920 -2.232 17579 9641 1 15 . 1 1 120 120 ALA HA H 155 3.484 3.484 4.123 -0.639 17579 9642 1 15 . 1 1 120 120 ALA C C 155 180.759 180.759 178.189 2.570 17579 9643 1 15 . 1 1 120 120 ALA CA C 155 55.257 55.257 54.009 1.248 17579 9644 1 15 . 1 1 120 120 ALA CB C 155 18.446 18.446 19.194 -0.748 17579 9645 1 15 . 1 1 120 120 ALA H H 155 7.494 7.494 7.801 -0.307 17579 9646 1 16 . 1 1 2 2 LYS N N 37 124.936 124.936 122.103 2.833 17579 9647 1 16 . 1 1 2 2 LYS HA H 37 4.053 4.053 4.135 -0.082 17579 9648 1 16 . 1 1 2 2 LYS C C 37 172.929 172.929 177.939 -5.010 17579 9649 1 16 . 1 1 2 2 LYS CA C 37 60.975 60.975 58.664 2.311 17579 9650 1 16 . 1 1 2 2 LYS CB C 37 32.607 32.607 32.394 0.213 17579 9651 1 16 . 1 1 2 2 LYS H H 37 7.564 7.564 8.381 -0.817 17579 9652 1 16 . 1 1 3 3 LYS N N 38 118.300 118.300 118.148 0.152 17579 9653 1 16 . 1 1 3 3 LYS HA H 38 4.045 4.045 4.045 -0.000 17579 9654 1 16 . 1 1 3 3 LYS C C 38 179.361 179.361 177.955 1.406 17579 9655 1 16 . 1 1 3 3 LYS CA C 38 59.930 59.930 58.553 1.377 17579 9656 1 16 . 1 1 3 3 LYS CB C 38 32.885 32.885 31.663 1.222 17579 9657 1 16 . 1 1 3 3 LYS H H 38 8.234 8.234 8.236 -0.002 17579 9658 1 16 . 1 1 4 4 LEU N N 39 122.081 122.081 121.403 0.678 17579 9659 1 16 . 1 1 4 4 LEU HA H 39 4.135 4.135 3.854 0.281 17579 9660 1 16 . 1 1 4 4 LEU C C 39 178.433 178.433 178.099 0.334 17579 9661 1 16 . 1 1 4 4 LEU CA C 39 57.726 57.726 59.073 -1.347 17579 9662 1 16 . 1 1 4 4 LEU CB C 39 40.588 40.588 41.663 -1.075 17579 9663 1 16 . 1 1 4 4 LEU H H 39 7.856 7.856 7.610 0.246 17579 9664 1 16 . 1 1 5 5 ASN N N 40 118.758 118.758 115.628 3.130 17579 9665 1 16 . 1 1 5 5 ASN HA H 40 3.994 3.994 4.219 -0.225 17579 9666 1 16 . 1 1 5 5 ASN C C 40 176.246 176.246 177.306 -1.060 17579 9667 1 16 . 1 1 5 5 ASN CA C 40 57.843 57.843 56.425 1.418 17579 9668 1 16 . 1 1 5 5 ASN CB C 40 40.430 40.430 38.139 2.292 17579 9669 1 16 . 1 1 5 5 ASN H H 40 9.241 9.241 8.016 1.225 17579 9670 1 16 . 1 1 6 6 LYS N N 41 115.665 115.665 119.977 -4.312 17579 9671 1 16 . 1 1 6 6 LYS HA H 41 3.929 3.929 3.973 -0.044 17579 9672 1 16 . 1 1 6 6 LYS C C 41 179.318 179.318 179.002 0.316 17579 9673 1 16 . 1 1 6 6 LYS CA C 41 60.130 60.130 59.264 0.866 17579 9674 1 16 . 1 1 6 6 LYS CB C 41 32.580 32.580 32.037 0.543 17579 9675 1 16 . 1 1 6 6 LYS H H 41 7.239 7.239 7.357 -0.118 17579 9676 1 16 . 1 1 7 7 LYS N N 42 119.038 119.038 118.916 0.122 17579 9677 1 16 . 1 1 7 7 LYS HA H 42 4.037 4.037 4.078 -0.041 17579 9678 1 16 . 1 1 7 7 LYS C C 42 180.428 180.428 179.405 1.023 17579 9679 1 16 . 1 1 7 7 LYS CA C 42 60.178 60.178 58.864 1.314 17579 9680 1 16 . 1 1 7 7 LYS CB C 42 33.670 33.670 32.199 1.471 17579 9681 1 16 . 1 1 7 7 LYS H H 42 7.358 7.358 7.974 -0.616 17579 9682 1 16 . 1 1 8 8 VAL N N 43 122.489 122.489 119.325 3.164 17579 9683 1 16 . 1 1 8 8 VAL HA H 43 3.263 3.263 3.783 -0.520 17579 9684 1 16 . 1 1 8 8 VAL C C 43 177.823 177.823 178.141 -0.318 17579 9685 1 16 . 1 1 8 8 VAL CA C 43 67.836 67.836 67.103 0.733 17579 9686 1 16 . 1 1 8 8 VAL CB C 43 31.523 31.523 31.503 0.020 17579 9687 1 16 . 1 1 8 8 VAL H H 43 9.167 9.167 8.493 0.674 17579 9688 1 16 . 1 1 9 9 LEU N N 44 119.740 119.740 118.497 1.243 17579 9689 1 16 . 1 1 9 9 LEU HA H 44 3.964 3.964 4.051 -0.087 17579 9690 1 16 . 1 1 9 9 LEU C C 44 179.700 179.700 178.699 1.001 17579 9691 1 16 . 1 1 9 9 LEU CA C 44 58.742 58.742 58.546 0.196 17579 9692 1 16 . 1 1 9 9 LEU CB C 44 41.239 41.239 40.984 0.255 17579 9693 1 16 . 1 1 9 9 LEU H H 44 8.437 8.437 8.368 0.069 17579 9694 1 16 . 1 1 10 10 LYS N N 45 119.832 119.832 119.662 0.170 17579 9695 1 16 . 1 1 10 10 LYS HA H 45 4.013 4.013 4.071 -0.058 17579 9696 1 16 . 1 1 10 10 LYS C C 45 178.847 178.847 178.965 -0.118 17579 9697 1 16 . 1 1 10 10 LYS CA C 45 60.146 60.146 59.891 0.256 17579 9698 1 16 . 1 1 10 10 LYS CB C 45 32.583 32.583 32.090 0.493 17579 9699 1 16 . 1 1 10 10 LYS H H 45 7.857 7.857 8.222 -0.365 17579 9700 1 16 . 1 1 11 11 THR N N 46 116.695 116.695 117.661 -0.966 17579 9701 1 16 . 1 1 11 11 THR HA H 46 4.327 4.327 3.982 0.345 17579 9702 1 16 . 1 1 11 11 THR C C 46 176.211 176.211 176.167 0.044 17579 9703 1 16 . 1 1 11 11 THR CA C 46 68.237 68.237 67.639 0.598 17579 9704 1 16 . 1 1 11 11 THR CB C 46 68.312 68.312 68.788 -0.476 17579 9705 1 16 . 1 1 11 11 THR H H 46 7.796 7.796 7.948 -0.152 17579 9706 1 16 . 1 1 12 12 VAL N N 47 122.013 122.013 121.371 0.642 17579 9707 1 16 . 1 1 12 12 VAL HA H 47 3.235 3.235 3.532 -0.297 17579 9708 1 16 . 1 1 12 12 VAL C C 47 177.909 177.909 176.831 1.078 17579 9709 1 16 . 1 1 12 12 VAL CA C 47 67.838 67.838 65.888 1.950 17579 9710 1 16 . 1 1 12 12 VAL CB C 47 31.706 31.706 31.736 -0.030 17579 9711 1 16 . 1 1 12 12 VAL H H 47 8.762 8.762 8.145 0.617 17579 9712 1 16 . 1 1 13 13 LYS N N 48 118.035 118.035 119.606 -1.571 17579 9713 1 16 . 1 1 13 13 LYS HA H 48 3.828 3.828 3.967 -0.139 17579 9714 1 16 . 1 1 13 13 LYS CA C 48 59.960 59.960 59.505 0.455 17579 9715 1 16 . 1 1 13 13 LYS CB C 48 32.837 32.837 32.218 0.619 17579 9716 1 16 . 1 1 13 13 LYS H H 48 7.492 7.492 7.926 -0.434 17579 9717 1 16 . 1 1 14 14 LYS N N 49 120.565 120.565 116.862 3.703 17579 9718 1 16 . 1 1 14 14 LYS HA H 49 3.952 3.952 4.104 -0.152 17579 9719 1 16 . 1 1 14 14 LYS C C 49 179.608 179.608 179.212 0.396 17579 9720 1 16 . 1 1 14 14 LYS CA C 49 59.950 59.950 58.491 1.459 17579 9721 1 16 . 1 1 14 14 LYS CB C 49 33.723 33.723 32.417 1.306 17579 9722 1 16 . 1 1 14 14 LYS H H 49 7.498 7.498 7.923 -0.425 17579 9723 1 16 . 1 1 15 15 ALA N N 50 122.192 122.192 122.040 0.152 17579 9724 1 16 . 1 1 15 15 ALA HA H 50 3.467 3.467 3.918 -0.451 17579 9725 1 16 . 1 1 15 15 ALA C C 50 179.970 179.970 179.668 0.302 17579 9726 1 16 . 1 1 15 15 ALA CA C 50 54.950 54.950 54.288 0.662 17579 9727 1 16 . 1 1 15 15 ALA CB C 50 19.270 19.270 17.749 1.521 17579 9728 1 16 . 1 1 15 15 ALA H H 50 8.529 8.529 7.967 0.562 17579 9729 1 16 . 1 1 16 16 SER N N 51 116.624 116.624 113.542 3.082 17579 9730 1 16 . 1 1 16 16 SER HA H 51 4.696 4.696 4.138 0.558 17579 9731 1 16 . 1 1 16 16 SER C C 51 178.705 178.705 176.020 2.685 17579 9732 1 16 . 1 1 16 16 SER CA C 51 62.206 62.206 61.060 1.146 17579 9733 1 16 . 1 1 16 16 SER CB C 51 62.918 62.918 63.079 -0.161 17579 9734 1 16 . 1 1 16 16 SER H H 51 8.542 8.542 8.040 0.502 17579 9735 1 16 . 1 1 17 17 LYS N N 52 124.866 124.866 119.904 4.962 17579 9736 1 16 . 1 1 17 17 LYS HA H 52 4.051 4.051 4.164 -0.113 17579 9737 1 16 . 1 1 17 17 LYS C C 52 177.563 177.563 176.934 0.629 17579 9738 1 16 . 1 1 17 17 LYS CA C 52 59.290 59.290 57.261 2.029 17579 9739 1 16 . 1 1 17 17 LYS CB C 52 32.104 32.104 32.483 -0.379 17579 9740 1 16 . 1 1 17 17 LYS H H 52 7.553 7.553 7.496 0.057 17579 9741 1 16 . 1 1 18 18 ALA N N 53 118.801 118.801 121.200 -2.399 17579 9742 1 16 . 1 1 18 18 ALA HA H 53 4.280 4.280 4.318 -0.038 17579 9743 1 16 . 1 1 18 18 ALA C C 53 175.253 175.253 176.289 -1.036 17579 9744 1 16 . 1 1 18 18 ALA CA C 53 52.222 52.222 51.683 0.539 17579 9745 1 16 . 1 1 18 18 ALA CB C 53 19.566 19.566 19.672 -0.107 17579 9746 1 16 . 1 1 18 18 ALA H H 53 7.092 7.092 7.539 -0.447 17579 9747 1 16 . 1 1 19 19 LYS N N 54 112.119 112.119 115.800 -3.681 17579 9748 1 16 . 1 1 19 19 LYS HA H 54 4.027 4.027 3.905 0.122 17579 9749 1 16 . 1 1 19 19 LYS C C 54 177.191 177.191 175.156 2.035 17579 9750 1 16 . 1 1 19 19 LYS CA C 54 57.435 57.435 56.897 0.538 17579 9751 1 16 . 1 1 19 19 LYS CB C 54 28.420 28.420 30.486 -2.066 17579 9752 1 16 . 1 1 19 19 LYS H H 54 7.644 7.644 7.538 0.106 17579 9753 1 16 . 1 1 20 20 ASN N N 55 116.236 116.236 114.877 1.359 17579 9754 1 16 . 1 1 20 20 ASN HA H 55 5.090 5.090 4.687 0.403 17579 9755 1 16 . 1 1 20 20 ASN C C 55 173.176 173.176 175.325 -2.149 17579 9756 1 16 . 1 1 20 20 ASN CA C 55 51.617 51.617 54.194 -2.577 17579 9757 1 16 . 1 1 20 20 ASN CB C 55 40.642 40.642 40.032 0.609 17579 9758 1 16 . 1 1 20 20 ASN H H 55 8.099 8.099 7.717 0.382 17579 9759 1 16 . 1 1 21 21 VAL N N 56 115.268 115.268 119.467 -4.199 17579 9760 1 16 . 1 1 21 21 VAL HA H 56 4.864 4.864 4.089 0.775 17579 9761 1 16 . 1 1 21 21 VAL C C 56 175.526 175.526 174.943 0.583 17579 9762 1 16 . 1 1 21 21 VAL CA C 56 61.314 61.314 62.488 -1.174 17579 9763 1 16 . 1 1 21 21 VAL CB C 56 35.532 35.532 32.380 3.152 17579 9764 1 16 . 1 1 21 21 VAL H H 56 7.621 7.621 7.872 -0.251 17579 9765 1 16 . 1 1 22 22 LYS N N 57 126.903 126.903 128.900 -1.997 17579 9766 1 16 . 1 1 22 22 LYS HA H 57 4.682 4.682 4.680 0.002 17579 9767 1 16 . 1 1 22 22 LYS C C 57 175.564 175.564 175.090 0.474 17579 9768 1 16 . 1 1 22 22 LYS CA C 57 54.694 54.694 54.923 -0.230 17579 9769 1 16 . 1 1 22 22 LYS CB C 57 33.975 33.975 34.509 -0.534 17579 9770 1 16 . 1 1 22 22 LYS H H 57 9.006 9.006 8.430 0.576 17579 9771 1 16 . 1 1 23 23 ARG N N 58 122.053 122.053 123.587 -1.534 17579 9772 1 16 . 1 1 23 23 ARG HA H 58 4.850 4.850 4.605 0.245 17579 9773 1 16 . 1 1 23 23 ARG C C 58 176.136 176.136 176.714 -0.578 17579 9774 1 16 . 1 1 23 23 ARG CA C 58 56.100 56.100 54.405 1.695 17579 9775 1 16 . 1 1 23 23 ARG CB C 58 33.752 33.752 31.073 2.679 17579 9776 1 16 . 1 1 23 23 ARG H H 58 8.994 8.994 8.728 0.266 17579 9777 1 16 . 1 1 24 24 GLY N N 59 110.836 110.836 110.866 -0.030 17579 9778 1 16 . 1 1 24 24 GLY C C 59 173.053 173.053 173.823 -0.770 17579 9779 1 16 . 1 1 24 24 GLY CA C 59 45.028 45.028 44.289 0.739 17579 9780 1 16 . 1 1 24 24 GLY H H 59 8.205 8.205 8.406 -0.201 17579 9781 1 16 . 1 1 25 25 VAL N N 60 119.573 119.573 122.283 -2.710 17579 9782 1 16 . 1 1 25 25 VAL HA H 60 4.117 4.117 3.594 0.523 17579 9783 1 16 . 1 1 25 25 VAL C C 60 176.366 176.366 176.636 -0.270 17579 9784 1 16 . 1 1 25 25 VAL CA C 60 67.542 67.542 65.440 2.102 17579 9785 1 16 . 1 1 25 25 VAL CB C 60 32.147 32.147 32.069 0.078 17579 9786 1 16 . 1 1 25 25 VAL H H 60 8.219 8.219 8.565 -0.346 17579 9787 1 16 . 1 1 26 26 LYS N N 61 117.987 117.987 119.247 -1.260 17579 9788 1 16 . 1 1 26 26 LYS HA H 61 3.896 3.896 4.001 -0.105 17579 9789 1 16 . 1 1 26 26 LYS C C 61 180.230 180.230 178.544 1.686 17579 9790 1 16 . 1 1 26 26 LYS CA C 61 60.492 60.492 60.206 0.286 17579 9791 1 16 . 1 1 26 26 LYS CB C 61 32.356 32.356 31.934 0.422 17579 9792 1 16 . 1 1 26 26 LYS H H 61 8.112 8.112 8.474 -0.362 17579 9793 1 16 . 1 1 27 27 GLU N N 62 117.610 117.610 118.557 -0.947 17579 9794 1 16 . 1 1 27 27 GLU HA H 62 3.937 3.937 4.032 -0.095 17579 9795 1 16 . 1 1 27 27 GLU C C 62 180.103 180.103 178.931 1.172 17579 9796 1 16 . 1 1 27 27 GLU CA C 62 59.119 59.119 59.417 -0.298 17579 9797 1 16 . 1 1 27 27 GLU CB C 62 30.052 30.052 29.059 0.993 17579 9798 1 16 . 1 1 27 27 GLU H H 62 8.493 8.493 7.679 0.814 17579 9799 1 16 . 1 1 28 28 VAL N N 63 120.585 120.585 120.606 -0.021 17579 9800 1 16 . 1 1 28 28 VAL HA H 63 3.478 3.478 3.810 -0.332 17579 9801 1 16 . 1 1 28 28 VAL C C 63 176.970 176.970 178.062 -1.092 17579 9802 1 16 . 1 1 28 28 VAL CA C 63 68.197 68.197 67.186 1.011 17579 9803 1 16 . 1 1 28 28 VAL CB C 63 31.632 31.632 31.650 -0.018 17579 9804 1 16 . 1 1 28 28 VAL H H 63 8.241 8.241 8.086 0.155 17579 9805 1 16 . 1 1 29 29 VAL N N 64 118.622 118.622 119.508 -0.886 17579 9806 1 16 . 1 1 29 29 VAL HA H 64 3.333 3.333 3.529 -0.196 17579 9807 1 16 . 1 1 29 29 VAL C C 64 177.709 177.709 178.333 -0.624 17579 9808 1 16 . 1 1 29 29 VAL CA C 64 67.751 67.751 66.952 0.799 17579 9809 1 16 . 1 1 29 29 VAL CB C 64 31.553 31.553 31.372 0.181 17579 9810 1 16 . 1 1 29 29 VAL H H 64 8.510 8.510 8.171 0.339 17579 9811 1 16 . 1 1 30 30 LYS N N 65 118.138 118.138 119.455 -1.317 17579 9812 1 16 . 1 1 30 30 LYS HA H 65 3.855 3.855 3.997 -0.141 17579 9813 1 16 . 1 1 30 30 LYS C C 65 178.693 178.693 178.697 -0.004 17579 9814 1 16 . 1 1 30 30 LYS CA C 65 59.986 59.986 59.707 0.279 17579 9815 1 16 . 1 1 30 30 LYS CB C 65 32.800 32.800 32.157 0.643 17579 9816 1 16 . 1 1 30 30 LYS H H 65 7.533 7.533 8.186 -0.653 17579 9817 1 16 . 1 1 31 31 ALA N N 66 120.585 120.585 121.989 -1.404 17579 9818 1 16 . 1 1 31 31 ALA HA H 66 4.049 4.049 4.162 -0.113 17579 9819 1 16 . 1 1 31 31 ALA C C 66 179.745 179.745 178.801 0.944 17579 9820 1 16 . 1 1 31 31 ALA CA C 66 55.288 55.288 54.535 0.753 17579 9821 1 16 . 1 1 31 31 ALA CB C 66 19.207 19.207 18.300 0.907 17579 9822 1 16 . 1 1 31 31 ALA H H 66 7.489 7.489 7.849 -0.360 17579 9823 1 16 . 1 1 32 32 LEU N N 67 119.402 119.402 115.559 3.843 17579 9824 1 16 . 1 1 32 32 LEU HA H 67 3.976 3.976 4.304 -0.328 17579 9825 1 16 . 1 1 32 32 LEU C C 67 180.917 180.917 178.439 2.478 17579 9826 1 16 . 1 1 32 32 LEU CA C 67 58.115 58.115 56.934 1.181 17579 9827 1 16 . 1 1 32 32 LEU CB C 67 42.554 42.554 41.941 0.614 17579 9828 1 16 . 1 1 32 32 LEU H H 67 8.332 8.332 7.668 0.664 17579 9829 1 16 . 1 1 33 33 ARG N N 68 116.408 116.408 119.181 -2.773 17579 9830 1 16 . 1 1 33 33 ARG HA H 68 3.787 3.787 4.169 -0.382 17579 9831 1 16 . 1 1 33 33 ARG C C 68 178.472 178.472 178.064 0.408 17579 9832 1 16 . 1 1 33 33 ARG CA C 68 59.581 59.581 58.404 1.177 17579 9833 1 16 . 1 1 33 33 ARG CB C 68 29.946 29.946 30.639 -0.693 17579 9834 1 16 . 1 1 33 33 ARG H H 68 8.147 8.147 8.125 0.022 17579 9835 1 16 . 1 1 34 34 LYS N N 69 117.866 117.866 117.763 0.103 17579 9836 1 16 . 1 1 34 34 LYS HA H 69 4.232 4.232 4.223 0.009 17579 9837 1 16 . 1 1 34 34 LYS C C 69 177.005 177.005 176.999 0.006 17579 9838 1 16 . 1 1 34 34 LYS CA C 69 56.788 56.788 57.085 -0.297 17579 9839 1 16 . 1 1 34 34 LYS CB C 69 33.008 33.008 32.442 0.566 17579 9840 1 16 . 1 1 34 34 LYS H H 69 7.606 7.606 8.206 -0.600 17579 9841 1 16 . 1 1 35 35 GLY N N 70 106.799 106.799 105.223 1.576 17579 9842 1 16 . 1 1 35 35 GLY C C 70 175.547 175.547 174.285 1.262 17579 9843 1 16 . 1 1 35 35 GLY CA C 70 45.969 45.969 45.293 0.676 17579 9844 1 16 . 1 1 35 35 GLY H H 70 7.678 7.678 8.115 -0.437 17579 9845 1 16 . 1 1 36 36 GLU N N 71 119.492 119.492 120.949 -1.457 17579 9846 1 16 . 1 1 36 36 GLU HA H 71 4.199 4.199 4.412 -0.213 17579 9847 1 16 . 1 1 36 36 GLU C C 71 175.625 175.625 175.537 0.088 17579 9848 1 16 . 1 1 36 36 GLU CA C 71 57.696 57.696 54.727 2.969 17579 9849 1 16 . 1 1 36 36 GLU CB C 71 29.620 29.620 28.253 1.367 17579 9850 1 16 . 1 1 36 36 GLU H H 71 7.686 7.686 8.313 -0.627 17579 9851 1 16 . 1 1 37 37 LYS N N 72 118.433 118.433 123.523 -5.090 17579 9852 1 16 . 1 1 37 37 LYS HA H 72 4.863 4.863 4.507 0.356 17579 9853 1 16 . 1 1 37 37 LYS C C 72 175.983 175.983 175.639 0.344 17579 9854 1 16 . 1 1 37 37 LYS CA C 72 54.299 54.299 54.256 0.043 17579 9855 1 16 . 1 1 37 37 LYS CB C 72 35.140 35.140 34.548 0.592 17579 9856 1 16 . 1 1 37 37 LYS H H 72 8.202 8.202 7.603 0.599 17579 9857 1 16 . 1 1 38 38 GLY N N 73 104.719 104.719 107.757 -3.038 17579 9858 1 16 . 1 1 38 38 GLY C C 73 172.071 172.071 173.177 -1.106 17579 9859 1 16 . 1 1 38 38 GLY CA C 73 46.798 46.798 45.859 0.938 17579 9860 1 16 . 1 1 38 38 GLY H H 73 7.214 7.214 8.856 -1.642 17579 9861 1 16 . 1 1 39 39 LEU N N 74 125.471 125.471 123.013 2.458 17579 9862 1 16 . 1 1 39 39 LEU HA H 74 4.992 4.992 4.964 0.028 17579 9863 1 16 . 1 1 39 39 LEU C C 74 174.651 174.651 174.793 -0.142 17579 9864 1 16 . 1 1 39 39 LEU CA C 74 54.686 54.686 54.832 -0.146 17579 9865 1 16 . 1 1 39 39 LEU CB C 74 47.360 47.360 46.057 1.303 17579 9866 1 16 . 1 1 39 39 LEU H H 74 8.930 8.930 8.147 0.783 17579 9867 1 16 . 1 1 40 40 VAL N N 75 130.975 130.975 127.348 3.627 17579 9868 1 16 . 1 1 40 40 VAL HA H 75 4.649 4.649 3.935 0.714 17579 9869 1 16 . 1 1 40 40 VAL C C 75 173.868 173.868 175.521 -1.653 17579 9870 1 16 . 1 1 40 40 VAL CA C 75 62.513 62.513 61.575 0.938 17579 9871 1 16 . 1 1 40 40 VAL CB C 75 32.856 32.856 30.625 2.231 17579 9872 1 16 . 1 1 40 40 VAL H H 75 8.549 8.549 8.789 -0.240 17579 9873 1 16 . 1 1 41 41 VAL N N 76 127.452 127.452 128.626 -1.174 17579 9874 1 16 . 1 1 41 41 VAL HA H 76 4.645 4.645 4.273 0.372 17579 9875 1 16 . 1 1 41 41 VAL C C 76 173.931 173.931 175.474 -1.543 17579 9876 1 16 . 1 1 41 41 VAL CA C 76 61.015 61.015 62.341 -1.326 17579 9877 1 16 . 1 1 41 41 VAL CB C 76 33.844 33.844 31.200 2.644 17579 9878 1 16 . 1 1 41 41 VAL H H 76 8.754 8.754 8.417 0.337 17579 9879 1 16 . 1 1 42 42 ILE N N 77 126.301 126.301 128.273 -1.972 17579 9880 1 16 . 1 1 42 42 ILE HA H 77 4.455 4.455 5.181 -0.726 17579 9881 1 16 . 1 1 42 42 ILE C C 77 174.965 174.965 174.974 -0.009 17579 9882 1 16 . 1 1 42 42 ILE CA C 77 59.842 59.842 57.718 2.124 17579 9883 1 16 . 1 1 42 42 ILE CB C 77 40.257 40.257 40.731 -0.474 17579 9884 1 16 . 1 1 42 42 ILE H H 77 8.530 8.530 8.984 -0.454 17579 9885 1 16 . 1 1 43 43 ALA N N 78 128.716 128.716 129.753 -1.037 17579 9886 1 16 . 1 1 43 43 ALA HA H 78 4.469 4.469 4.851 -0.382 17579 9887 1 16 . 1 1 43 43 ALA C C 78 177.979 177.979 177.963 0.016 17579 9888 1 16 . 1 1 43 43 ALA CA C 78 52.398 52.398 50.824 1.574 17579 9889 1 16 . 1 1 43 43 ALA CB C 78 19.600 19.600 18.900 0.700 17579 9890 1 16 . 1 1 43 43 ALA H H 78 8.538 8.538 8.249 0.289 17579 9891 1 16 . 1 1 44 44 GLY N N 79 104.343 104.343 110.306 -5.963 17579 9892 1 16 . 1 1 44 44 GLY C C 79 173.472 173.472 174.638 -1.166 17579 9893 1 16 . 1 1 44 44 GLY CA C 79 46.239 46.239 46.566 -0.327 17579 9894 1 16 . 1 1 44 44 GLY H H 79 9.090 9.090 8.275 0.815 17579 9895 1 16 . 1 1 45 45 ASP N N 80 118.154 118.154 119.513 -1.359 17579 9896 1 16 . 1 1 45 45 ASP HA H 80 4.855 4.855 4.620 0.235 17579 9897 1 16 . 1 1 45 45 ASP C C 80 176.500 176.500 176.455 0.045 17579 9898 1 16 . 1 1 45 45 ASP CA C 80 52.804 52.804 55.619 -2.815 17579 9899 1 16 . 1 1 45 45 ASP CB C 80 39.410 39.410 41.475 -2.065 17579 9900 1 16 . 1 1 45 45 ASP H H 80 8.603 8.603 8.373 0.230 17579 9901 1 16 . 1 1 46 46 ILE N N 81 118.477 118.477 119.500 -1.023 17579 9902 1 16 . 1 1 46 46 ILE HA H 81 4.073 4.073 4.273 -0.200 17579 9903 1 16 . 1 1 46 46 ILE C C 81 173.822 173.822 174.812 -0.990 17579 9904 1 16 . 1 1 46 46 ILE CA C 81 59.882 59.882 60.082 -0.200 17579 9905 1 16 . 1 1 46 46 ILE CB C 81 39.136 39.136 38.245 0.892 17579 9906 1 16 . 1 1 46 46 ILE H H 81 6.846 6.846 7.810 -0.964 17579 9907 1 16 . 1 1 47 47 SER N N 82 117.552 117.552 117.435 0.117 17579 9908 1 16 . 1 1 47 47 SER HA H 82 4.628 4.628 4.601 0.027 17579 9909 1 16 . 1 1 47 47 SER C C 82 176.920 176.920 173.861 3.059 17579 9910 1 16 . 1 1 47 47 SER CA C 82 55.444 55.444 56.890 -1.446 17579 9911 1 16 . 1 1 47 47 SER CB C 82 65.268 65.268 63.300 1.968 17579 9912 1 16 . 1 1 47 47 SER H H 82 7.774 7.774 7.495 0.279 17579 9913 1 16 . 1 1 48 48 PRO HA H 83 4.259 4.259 4.428 -0.169 17579 9914 1 16 . 1 1 48 48 PRO CA C 83 62.312 62.312 62.500 -0.188 17579 9915 1 16 . 1 1 48 48 PRO CB C 83 30.564 30.564 32.165 -1.601 17579 9916 1 16 . 1 1 49 49 ALA N N 84 122.207 122.207 119.451 2.756 17579 9917 1 16 . 1 1 49 49 ALA HA H 84 3.978 3.978 4.225 -0.247 17579 9918 1 16 . 1 1 49 49 ALA C C 84 178.699 178.699 178.190 0.509 17579 9919 1 16 . 1 1 49 49 ALA CA C 84 54.704 54.704 53.802 0.902 17579 9920 1 16 . 1 1 49 49 ALA CB C 84 19.393 19.393 18.958 0.435 17579 9921 1 16 . 1 1 49 49 ALA H H 84 8.091 8.091 8.278 -0.187 17579 9922 1 16 . 1 1 50 50 ASP N N 85 113.440 113.440 119.081 -5.641 17579 9923 1 16 . 1 1 50 50 ASP HA H 85 4.338 4.338 4.471 -0.133 17579 9924 1 16 . 1 1 50 50 ASP C C 85 177.723 177.723 178.288 -0.565 17579 9925 1 16 . 1 1 50 50 ASP CA C 85 56.203 56.203 56.101 0.102 17579 9926 1 16 . 1 1 50 50 ASP CB C 85 40.562 40.562 39.794 0.768 17579 9927 1 16 . 1 1 50 50 ASP H H 85 8.148 8.148 8.280 -0.132 17579 9928 1 16 . 1 1 51 51 VAL N N 86 116.604 116.604 116.100 0.504 17579 9929 1 16 . 1 1 51 51 VAL HA H 86 3.925 3.925 3.773 0.152 17579 9930 1 16 . 1 1 51 51 VAL C C 86 176.966 176.966 177.070 -0.104 17579 9931 1 16 . 1 1 51 51 VAL CA C 86 65.241 65.241 65.618 -0.378 17579 9932 1 16 . 1 1 51 51 VAL CB C 86 32.467 32.467 31.036 1.431 17579 9933 1 16 . 1 1 51 51 VAL H H 86 7.538 7.538 8.030 -0.492 17579 9934 1 16 . 1 1 52 52 ILE N N 87 108.211 108.211 118.820 -10.609 17579 9935 1 16 . 1 1 52 52 ILE HA H 87 4.565 4.565 3.909 0.656 17579 9936 1 16 . 1 1 52 52 ILE C C 87 178.116 178.116 176.851 1.265 17579 9937 1 16 . 1 1 52 52 ILE CA C 87 60.165 60.165 63.425 -3.260 17579 9938 1 16 . 1 1 52 52 ILE CB C 87 41.048 41.048 37.817 3.231 17579 9939 1 16 . 1 1 52 52 ILE H H 87 7.283 7.283 7.959 -0.676 17579 9940 1 16 . 1 1 53 53 SER N N 88 116.088 116.088 113.514 2.574 17579 9941 1 16 . 1 1 53 53 SER HA H 88 4.538 4.538 4.488 0.050 17579 9942 1 16 . 1 1 53 53 SER CA C 88 61.852 61.852 59.287 2.565 17579 9943 1 16 . 1 1 53 53 SER CB C 88 62.604 62.604 63.916 -1.312 17579 9944 1 16 . 1 1 53 53 SER H H 88 7.845 7.845 7.991 -0.146 17579 9945 1 16 . 1 1 54 54 HIS N N 89 121.004 121.004 120.902 0.102 17579 9946 1 16 . 1 1 54 54 HIS HA H 89 4.590 4.590 4.615 -0.025 17579 9947 1 16 . 1 1 54 54 HIS C C 89 176.530 176.530 176.633 -0.103 17579 9948 1 16 . 1 1 54 54 HIS CA C 89 56.554 56.554 58.471 -1.917 17579 9949 1 16 . 1 1 54 54 HIS CB C 89 33.261 33.261 31.163 2.098 17579 9950 1 16 . 1 1 54 54 HIS H H 89 8.450 8.450 7.929 0.521 17579 9951 1 16 . 1 1 55 55 ILE N N 90 123.909 123.909 121.783 2.126 17579 9952 1 16 . 1 1 55 55 ILE HA H 90 4.583 4.583 3.626 0.957 17579 9953 1 16 . 1 1 55 55 ILE CA C 90 62.230 62.230 65.849 -3.619 17579 9954 1 16 . 1 1 55 55 ILE CB C 90 42.418 42.418 35.112 7.306 17579 9955 1 16 . 1 1 55 55 ILE H H 90 8.142 8.142 8.087 0.055 17579 9956 1 16 . 1 1 56 56 PRO HA H 91 2.974 2.974 4.236 -1.262 17579 9957 1 16 . 1 1 56 56 PRO C C 91 177.132 177.132 179.083 -1.951 17579 9958 1 16 . 1 1 56 56 PRO CA C 91 66.917 66.917 66.050 0.867 17579 9959 1 16 . 1 1 56 56 PRO CB C 91 31.519 31.519 31.052 0.467 17579 9960 1 16 . 1 1 57 57 VAL N N 92 114.761 114.761 118.647 -3.886 17579 9961 1 16 . 1 1 57 57 VAL HA H 92 3.570 3.570 3.699 -0.129 17579 9962 1 16 . 1 1 57 57 VAL C C 92 177.995 177.995 177.662 0.333 17579 9963 1 16 . 1 1 57 57 VAL CA C 92 66.358 66.358 66.050 0.308 17579 9964 1 16 . 1 1 57 57 VAL CB C 92 31.694 31.694 31.834 -0.140 17579 9965 1 16 . 1 1 57 57 VAL H H 92 6.505 6.505 7.487 -0.982 17579 9966 1 16 . 1 1 58 58 LEU N N 93 120.572 120.572 118.917 1.655 17579 9967 1 16 . 1 1 58 58 LEU HA H 93 4.200 4.200 4.063 0.137 17579 9968 1 16 . 1 1 58 58 LEU C C 93 180.452 180.452 178.543 1.909 17579 9969 1 16 . 1 1 58 58 LEU CA C 93 57.938 57.938 58.032 -0.094 17579 9970 1 16 . 1 1 58 58 LEU CB C 93 43.394 43.394 40.970 2.424 17579 9971 1 16 . 1 1 58 58 LEU H H 93 7.432 7.432 8.214 -0.782 17579 9972 1 16 . 1 1 59 59 CYS N N 94 117.330 117.330 118.700 -1.370 17579 9973 1 16 . 1 1 59 59 CYS HA H 94 3.827 3.827 4.273 -0.446 17579 9974 1 16 . 1 1 59 59 CYS C C 94 177.986 177.986 176.842 1.144 17579 9975 1 16 . 1 1 59 59 CYS CA C 94 65.483 65.483 62.220 3.263 17579 9976 1 16 . 1 1 59 59 CYS CB C 94 26.552 26.552 27.311 -0.758 17579 9977 1 16 . 1 1 59 59 CYS H H 94 8.423 8.423 8.036 0.387 17579 9978 1 16 . 1 1 60 60 GLU N N 95 120.766 120.766 117.948 2.818 17579 9979 1 16 . 1 1 60 60 GLU HA H 95 3.512 3.512 4.208 -0.696 17579 9980 1 16 . 1 1 60 60 GLU C C 95 180.736 180.736 177.538 3.198 17579 9981 1 16 . 1 1 60 60 GLU CA C 95 59.909 59.909 58.568 1.341 17579 9982 1 16 . 1 1 60 60 GLU CB C 95 29.108 29.108 29.395 -0.287 17579 9983 1 16 . 1 1 60 60 GLU H H 95 8.237 8.237 7.958 0.279 17579 9984 1 16 . 1 1 61 61 ASP N N 96 120.591 120.591 118.232 2.359 17579 9985 1 16 . 1 1 61 61 ASP HA H 96 4.311 4.311 4.483 -0.172 17579 9986 1 16 . 1 1 61 61 ASP C C 96 178.004 178.004 177.198 0.806 17579 9987 1 16 . 1 1 61 61 ASP CA C 96 57.549 57.549 56.289 1.260 17579 9988 1 16 . 1 1 61 61 ASP CB C 96 41.083 41.083 41.717 -0.634 17579 9989 1 16 . 1 1 61 61 ASP H H 96 8.345 8.345 7.873 0.472 17579 9990 1 16 . 1 1 62 62 HIS N N 97 115.844 115.844 115.149 0.695 17579 9991 1 16 . 1 1 62 62 HIS HA H 97 4.575 4.575 4.862 -0.287 17579 9992 1 16 . 1 1 62 62 HIS C C 97 173.728 173.728 174.632 -0.904 17579 9993 1 16 . 1 1 62 62 HIS CA C 97 57.418 57.418 55.931 1.487 17579 9994 1 16 . 1 1 62 62 HIS CB C 97 30.067 30.067 32.432 -2.365 17579 9995 1 16 . 1 1 62 62 HIS H H 97 7.663 7.663 7.890 -0.227 17579 9996 1 16 . 1 1 63 63 SER N N 98 114.813 114.813 115.367 -0.554 17579 9997 1 16 . 1 1 63 63 SER HA H 98 4.097 4.097 4.175 -0.078 17579 9998 1 16 . 1 1 63 63 SER C C 98 173.789 173.789 173.587 0.202 17579 9999 1 16 . 1 1 63 63 SER CA C 98 59.255 59.255 58.833 0.422 17579 10000 1 16 . 1 1 63 63 SER CB C 98 61.602 61.602 61.891 -0.289 17579 10001 1 16 . 1 1 63 63 SER H H 98 7.861 7.861 8.177 -0.316 17579 10002 1 16 . 1 1 64 64 VAL N N 99 123.227 123.227 122.809 0.418 17579 10003 1 16 . 1 1 64 64 VAL HA H 99 4.157 4.157 4.500 -0.343 17579 10004 1 16 . 1 1 64 64 VAL C C 99 174.345 174.345 174.714 -0.369 17579 10005 1 16 . 1 1 64 64 VAL CA C 99 58.923 58.923 59.717 -0.793 17579 10006 1 16 . 1 1 64 64 VAL CB C 99 35.133 35.133 33.946 1.187 17579 10007 1 16 . 1 1 64 64 VAL H H 99 8.603 8.603 7.766 0.837 17579 10008 1 16 . 1 1 65 65 PRO HA H 100 4.260 4.260 4.472 -0.212 17579 10009 1 16 . 1 1 65 65 PRO C C 100 173.335 173.335 175.158 -1.823 17579 10010 1 16 . 1 1 65 65 PRO CA C 100 63.165 63.165 63.041 0.124 17579 10011 1 16 . 1 1 65 65 PRO CB C 100 32.083 32.083 29.947 2.136 17579 10012 1 16 . 1 1 66 66 TYR N N 101 114.840 114.840 124.019 -9.179 17579 10013 1 16 . 1 1 66 66 TYR HA H 101 5.900 5.900 4.770 1.130 17579 10014 1 16 . 1 1 66 66 TYR C C 101 170.503 170.503 173.574 -3.071 17579 10015 1 16 . 1 1 66 66 TYR CA C 101 53.986 53.986 56.543 -2.557 17579 10016 1 16 . 1 1 66 66 TYR CB C 101 41.998 41.998 40.858 1.140 17579 10017 1 16 . 1 1 66 66 TYR H H 101 6.219 6.219 8.000 -1.781 17579 10018 1 16 . 1 1 67 67 ILE N N 102 112.118 112.118 125.373 -13.255 17579 10019 1 16 . 1 1 67 67 ILE HA H 102 4.488 4.488 4.134 0.354 17579 10020 1 16 . 1 1 67 67 ILE C C 102 171.963 171.963 173.377 -1.414 17579 10021 1 16 . 1 1 67 67 ILE CA C 102 55.343 55.343 58.562 -3.219 17579 10022 1 16 . 1 1 67 67 ILE CB C 102 43.317 43.317 41.854 1.463 17579 10023 1 16 . 1 1 67 67 ILE H H 102 7.954 7.954 8.688 -0.734 17579 10024 1 16 . 1 1 68 68 PHE N N 103 122.272 122.272 122.871 -0.599 17579 10025 1 16 . 1 1 68 68 PHE HA H 103 5.945 5.945 5.281 0.664 17579 10026 1 16 . 1 1 68 68 PHE C C 103 176.374 176.374 174.008 2.366 17579 10027 1 16 . 1 1 68 68 PHE CA C 103 56.520 56.520 54.935 1.585 17579 10028 1 16 . 1 1 68 68 PHE CB C 103 40.518 40.518 41.459 -0.941 17579 10029 1 16 . 1 1 68 68 PHE H H 103 8.087 8.087 7.835 0.252 17579 10030 1 16 . 1 1 69 69 ILE N N 104 114.672 114.672 116.700 -2.028 17579 10031 1 16 . 1 1 69 69 ILE HA H 104 2.991 2.991 4.554 -1.563 17579 10032 1 16 . 1 1 69 69 ILE C C 104 175.387 175.387 174.066 1.321 17579 10033 1 16 . 1 1 69 69 ILE CA C 104 57.903 57.903 58.276 -0.373 17579 10034 1 16 . 1 1 69 69 ILE CB C 104 38.207 38.207 40.091 -1.884 17579 10035 1 16 . 1 1 69 69 ILE H H 104 8.847 8.847 9.023 -0.176 17579 10036 1 16 . 1 1 70 70 PRO HA H 105 3.918 3.918 4.706 -0.788 17579 10037 1 16 . 1 1 70 70 PRO C C 105 177.442 177.442 176.008 1.434 17579 10038 1 16 . 1 1 70 70 PRO CA C 105 64.823 64.823 63.252 1.571 17579 10039 1 16 . 1 1 70 70 PRO CB C 105 35.906 35.906 30.566 5.340 17579 10040 1 16 . 1 1 71 71 SER N N 106 113.113 113.113 118.049 -4.936 17579 10041 1 16 . 1 1 71 71 SER HA H 106 4.261 4.261 4.647 -0.386 17579 10042 1 16 . 1 1 71 71 SER C C 106 175.111 175.111 174.534 0.577 17579 10043 1 16 . 1 1 71 71 SER CA C 106 60.111 60.111 57.826 2.285 17579 10044 1 16 . 1 1 71 71 SER CB C 106 63.687 63.687 64.350 -0.663 17579 10045 1 16 . 1 1 71 71 SER H H 106 7.904 7.904 8.076 -0.172 17579 10046 1 16 . 1 1 72 72 LYS N N 107 119.830 119.830 126.955 -7.125 17579 10047 1 16 . 1 1 72 72 LYS HA H 107 4.187 4.187 3.911 0.276 17579 10048 1 16 . 1 1 72 72 LYS CA C 107 58.783 58.783 60.023 -1.240 17579 10049 1 16 . 1 1 72 72 LYS CB C 107 30.951 30.951 32.425 -1.474 17579 10050 1 16 . 1 1 72 72 LYS H H 107 8.314 8.314 8.832 -0.518 17579 10051 1 16 . 1 1 73 73 GLN N N 108 123.860 123.860 118.433 5.427 17579 10052 1 16 . 1 1 73 73 GLN HA H 108 4.001 4.001 4.020 -0.019 17579 10053 1 16 . 1 1 73 73 GLN CA C 108 58.831 58.831 59.344 -0.513 17579 10054 1 16 . 1 1 73 73 GLN CB C 108 28.451 28.451 28.548 -0.097 17579 10055 1 16 . 1 1 73 73 GLN H H 108 8.510 8.510 8.493 0.017 17579 10056 1 16 . 1 1 74 74 ASP N N 109 121.145 121.145 120.443 0.702 17579 10057 1 16 . 1 1 74 74 ASP HA H 109 4.389 4.389 4.337 0.052 17579 10058 1 16 . 1 1 74 74 ASP C C 109 178.552 178.552 178.724 -0.172 17579 10059 1 16 . 1 1 74 74 ASP H H 109 7.966 7.966 7.781 0.185 17579 10060 1 16 . 1 1 75 75 LEU N N 110 121.098 121.098 120.882 0.216 17579 10061 1 16 . 1 1 75 75 LEU HA H 110 3.955 3.955 3.984 -0.029 17579 10062 1 16 . 1 1 75 75 LEU C C 110 178.953 178.953 178.765 0.188 17579 10063 1 16 . 1 1 75 75 LEU CA C 110 56.538 56.538 58.276 -1.738 17579 10064 1 16 . 1 1 75 75 LEU CB C 110 40.845 40.845 41.861 -1.016 17579 10065 1 16 . 1 1 75 75 LEU H H 110 7.932 7.932 8.319 -0.387 17579 10066 1 16 . 1 1 76 76 GLY N N 111 105.659 105.659 105.808 -0.149 17579 10067 1 16 . 1 1 76 76 GLY C C 111 175.510 175.510 175.819 -0.309 17579 10068 1 16 . 1 1 76 76 GLY CA C 111 47.037 47.037 46.751 0.286 17579 10069 1 16 . 1 1 76 76 GLY H H 111 8.006 8.006 8.514 -0.508 17579 10070 1 16 . 1 1 77 77 ALA N N 112 122.987 122.987 123.889 -0.902 17579 10071 1 16 . 1 1 77 77 ALA HA H 112 4.112 4.112 4.199 -0.088 17579 10072 1 16 . 1 1 77 77 ALA C C 112 179.350 179.350 178.362 0.988 17579 10073 1 16 . 1 1 77 77 ALA CA C 112 53.930 53.930 54.348 -0.418 17579 10074 1 16 . 1 1 77 77 ALA CB C 112 18.727 18.727 18.179 0.548 17579 10075 1 16 . 1 1 77 77 ALA H H 112 7.824 7.824 8.195 -0.371 17579 10076 1 16 . 1 1 78 78 ALA N N 113 121.466 121.466 120.016 1.450 17579 10077 1 16 . 1 1 78 78 ALA HA H 113 4.189 4.189 4.210 -0.021 17579 10078 1 16 . 1 1 78 78 ALA C C 113 177.368 177.368 178.920 -1.552 17579 10079 1 16 . 1 1 78 78 ALA CA C 113 53.750 53.750 54.290 -0.540 17579 10080 1 16 . 1 1 78 78 ALA CB C 113 19.231 19.231 19.682 -0.451 17579 10081 1 16 . 1 1 78 78 ALA H H 113 7.785 7.785 7.813 -0.028 17579 10082 1 16 . 1 1 79 79 GLY N N 114 104.016 104.016 105.364 -1.348 17579 10083 1 16 . 1 1 79 79 GLY CA C 114 45.256 45.256 45.613 -0.357 17579 10084 1 16 . 1 1 79 79 GLY H H 114 7.742 7.742 8.281 -0.539 17579 10085 1 16 . 1 1 80 80 ALA HA H 115 4.100 4.100 4.580 -0.480 17579 10086 1 16 . 1 1 80 80 ALA C C 115 176.526 176.526 176.163 0.363 17579 10087 1 16 . 1 1 80 80 ALA CA C 115 53.482 53.482 52.297 1.185 17579 10088 1 16 . 1 1 80 80 ALA CB C 115 19.825 19.825 20.180 -0.355 17579 10089 1 16 . 1 1 81 81 THR N N 116 116.236 116.236 115.058 1.178 17579 10090 1 16 . 1 1 81 81 THR HA H 116 4.718 4.718 3.944 0.774 17579 10091 1 16 . 1 1 81 81 THR CA C 116 57.275 57.275 64.455 -7.180 17579 10092 1 16 . 1 1 81 81 THR CB C 116 64.878 64.878 68.968 -4.090 17579 10093 1 16 . 1 1 81 81 THR H H 116 8.068 8.068 8.417 -0.349 17579 10094 1 16 . 1 1 84 84 PRO HA H 119 4.072 4.072 4.515 -0.443 17579 10095 1 16 . 1 1 84 84 PRO CB C 119 32.154 32.154 32.327 -0.173 17579 10096 1 16 . 1 1 85 85 THR N N 120 119.680 119.680 114.358 5.322 17579 10097 1 16 . 1 1 85 85 THR C C 120 175.333 175.333 174.441 0.892 17579 10098 1 16 . 1 1 85 85 THR CB C 120 71.769 71.769 71.816 -0.047 17579 10099 1 16 . 1 1 85 85 THR H H 120 8.002 8.002 8.186 -0.184 17579 10100 1 16 . 1 1 86 86 SER N N 121 115.589 115.589 118.991 -3.402 17579 10101 1 16 . 1 1 86 86 SER HA H 121 4.325 4.325 4.414 -0.089 17579 10102 1 16 . 1 1 86 86 SER C C 121 172.929 172.929 174.262 -1.333 17579 10103 1 16 . 1 1 86 86 SER CA C 121 59.722 59.722 59.621 0.101 17579 10104 1 16 . 1 1 86 86 SER CB C 121 64.608 64.608 63.468 1.140 17579 10105 1 16 . 1 1 86 86 SER H H 121 7.335 7.335 8.674 -1.339 17579 10106 1 16 . 1 1 87 87 VAL N N 122 116.044 116.044 116.615 -0.571 17579 10107 1 16 . 1 1 87 87 VAL HA H 122 5.200 5.200 4.518 0.682 17579 10108 1 16 . 1 1 87 87 VAL C C 122 172.465 172.465 174.161 -1.696 17579 10109 1 16 . 1 1 87 87 VAL CA C 122 59.819 59.819 60.752 -0.933 17579 10110 1 16 . 1 1 87 87 VAL CB C 122 33.368 33.368 32.669 0.699 17579 10111 1 16 . 1 1 87 87 VAL H H 122 7.152 7.152 7.491 -0.339 17579 10112 1 16 . 1 1 88 88 VAL N N 123 119.350 119.350 125.552 -6.202 17579 10113 1 16 . 1 1 88 88 VAL HA H 123 5.091 5.091 4.751 0.340 17579 10114 1 16 . 1 1 88 88 VAL C C 123 173.214 173.214 174.192 -0.978 17579 10115 1 16 . 1 1 88 88 VAL CA C 123 59.219 59.219 60.382 -1.163 17579 10116 1 16 . 1 1 88 88 VAL CB C 123 36.362 36.362 35.962 0.400 17579 10117 1 16 . 1 1 88 88 VAL H H 123 8.851 8.851 8.781 0.070 17579 10118 1 16 . 1 1 89 89 PHE N N 124 122.568 122.568 124.893 -2.325 17579 10119 1 16 . 1 1 89 89 PHE HA H 124 5.613 5.613 5.217 0.396 17579 10120 1 16 . 1 1 89 89 PHE C C 124 174.887 174.887 175.009 -0.122 17579 10121 1 16 . 1 1 89 89 PHE CA C 124 52.961 52.961 56.259 -3.298 17579 10122 1 16 . 1 1 89 89 PHE CB C 124 42.788 42.788 42.963 -0.175 17579 10123 1 16 . 1 1 89 89 PHE H H 124 9.051 9.051 9.236 -0.185 17579 10124 1 16 . 1 1 90 90 ILE N N 125 127.707 127.707 127.841 -0.134 17579 10125 1 16 . 1 1 90 90 ILE HA H 125 4.264 4.264 4.349 -0.085 17579 10126 1 16 . 1 1 90 90 ILE C C 125 173.870 173.870 175.317 -1.447 17579 10127 1 16 . 1 1 90 90 ILE CA C 125 61.789 61.789 60.084 1.705 17579 10128 1 16 . 1 1 90 90 ILE CB C 125 39.785 39.785 37.537 2.248 17579 10129 1 16 . 1 1 90 90 ILE H H 125 9.477 9.477 9.383 0.094 17579 10130 1 16 . 1 1 91 91 VAL N N 126 126.579 126.579 121.269 5.310 17579 10131 1 16 . 1 1 91 91 VAL HA H 126 4.566 4.566 4.824 -0.258 17579 10132 1 16 . 1 1 91 91 VAL C C 126 173.829 173.829 173.529 0.300 17579 10133 1 16 . 1 1 91 91 VAL CA C 126 58.701 58.701 58.076 0.625 17579 10134 1 16 . 1 1 91 91 VAL CB C 126 32.989 32.989 34.575 -1.586 17579 10135 1 16 . 1 1 91 91 VAL H H 126 8.149 8.149 8.901 -0.752 17579 10136 1 16 . 1 1 92 92 PRO HA H 127 4.035 4.035 4.647 -0.612 17579 10137 1 16 . 1 1 92 92 PRO C C 127 177.766 177.766 176.581 1.185 17579 10138 1 16 . 1 1 92 92 PRO CA C 127 63.684 63.684 62.877 0.807 17579 10139 1 16 . 1 1 92 92 PRO CB C 127 32.178 32.178 32.138 0.041 17579 10140 1 16 . 1 1 93 93 GLY N N 128 108.618 108.618 111.387 -2.769 17579 10141 1 16 . 1 1 93 93 GLY CA C 128 45.787 45.787 44.824 0.963 17579 10142 1 16 . 1 1 93 93 GLY H H 128 7.970 7.970 8.379 -0.409 17579 10143 1 16 . 1 1 94 94 SER N N 129 113.620 113.620 119.106 -5.486 17579 10144 1 16 . 1 1 94 94 SER HA H 129 4.317 4.317 4.235 0.082 17579 10145 1 16 . 1 1 94 94 SER C C 129 180.379 180.379 174.704 5.675 17579 10146 1 16 . 1 1 94 94 SER CA C 129 58.566 58.566 59.621 -1.055 17579 10147 1 16 . 1 1 94 94 SER H H 129 7.952 7.952 8.344 -0.392 17579 10148 1 16 . 1 1 95 95 ASN N N 130 120.775 120.775 124.121 -3.346 17579 10149 1 16 . 1 1 95 95 ASN HA H 130 3.964 3.964 4.706 -0.742 17579 10150 1 16 . 1 1 95 95 ASN C C 130 178.664 178.664 177.217 1.447 17579 10151 1 16 . 1 1 95 95 ASN CA C 130 57.689 57.689 54.703 2.986 17579 10152 1 16 . 1 1 95 95 ASN CB C 130 42.288 42.288 38.791 3.497 17579 10153 1 16 . 1 1 95 95 ASN H H 130 8.300 8.300 8.635 -0.335 17579 10154 1 16 . 1 1 96 96 LYS N N 131 119.316 119.316 121.209 -1.893 17579 10155 1 16 . 1 1 96 96 LYS HA H 131 4.095 4.095 4.118 -0.023 17579 10156 1 16 . 1 1 96 96 LYS C C 131 178.290 178.290 177.819 0.471 17579 10157 1 16 . 1 1 96 96 LYS CA C 131 59.062 59.062 59.377 -0.315 17579 10158 1 16 . 1 1 96 96 LYS CB C 131 29.745 29.745 32.022 -2.277 17579 10159 1 16 . 1 1 96 96 LYS H H 131 7.896 7.896 8.417 -0.521 17579 10160 1 16 . 1 1 97 97 LYS N N 132 117.523 117.523 117.649 -0.126 17579 10161 1 16 . 1 1 97 97 LYS C C 132 176.927 176.927 178.928 -2.001 17579 10162 1 16 . 1 1 97 97 LYS CA C 132 58.555 58.555 58.402 0.153 17579 10163 1 16 . 1 1 97 97 LYS CB C 132 30.578 30.578 31.640 -1.062 17579 10164 1 16 . 1 1 97 97 LYS H H 132 7.791 7.791 8.307 -0.516 17579 10165 1 16 . 1 1 98 98 LYS HA H 133 4.236 4.236 4.274 -0.038 17579 10166 1 16 . 1 1 98 98 LYS C C 133 176.606 176.606 177.585 -0.979 17579 10167 1 16 . 1 1 98 98 LYS CA C 133 57.225 57.225 59.165 -1.940 17579 10168 1 16 . 1 1 98 98 LYS CB C 133 33.151 33.151 32.278 0.873 17579 10169 1 16 . 1 1 99 99 ASP N N 134 120.311 120.311 117.706 2.605 17579 10170 1 16 . 1 1 99 99 ASP HA H 134 4.584 4.584 4.736 -0.152 17579 10171 1 16 . 1 1 99 99 ASP C C 134 176.899 176.899 175.559 1.340 17579 10172 1 16 . 1 1 99 99 ASP CA C 134 54.402 54.402 53.380 1.022 17579 10173 1 16 . 1 1 99 99 ASP CB C 134 41.568 41.568 41.397 0.171 17579 10174 1 16 . 1 1 99 99 ASP H H 134 8.267 8.267 7.866 0.401 17579 10175 1 16 . 1 1 100 100 GLY N N 135 108.751 108.751 107.018 1.733 17579 10176 1 16 . 1 1 100 100 GLY C C 135 174.683 174.683 173.695 0.988 17579 10177 1 16 . 1 1 100 100 GLY CA C 135 45.985 45.985 44.266 1.719 17579 10178 1 16 . 1 1 100 100 GLY H H 135 8.235 8.235 7.462 0.773 17579 10179 1 16 . 1 1 101 101 LYS N N 136 120.306 120.306 122.412 -2.106 17579 10180 1 16 . 1 1 101 101 LYS HA H 136 4.279 4.279 4.132 0.147 17579 10181 1 16 . 1 1 101 101 LYS C C 136 175.145 175.145 175.596 -0.451 17579 10182 1 16 . 1 1 101 101 LYS CA C 136 56.875 56.875 56.738 0.137 17579 10183 1 16 . 1 1 101 101 LYS CB C 136 32.987 32.987 30.546 2.441 17579 10184 1 16 . 1 1 101 101 LYS H H 136 8.148 8.148 8.504 -0.356 17579 10185 1 16 . 1 1 102 102 ASN N N 137 118.958 118.958 121.484 -2.526 17579 10186 1 16 . 1 1 102 102 ASN HA H 137 4.707 4.707 4.845 -0.138 17579 10187 1 16 . 1 1 102 102 ASN C C 137 175.849 175.849 175.354 0.495 17579 10188 1 16 . 1 1 102 102 ASN CA C 137 53.816 53.816 52.958 0.858 17579 10189 1 16 . 1 1 102 102 ASN CB C 137 39.070 39.070 41.154 -2.084 17579 10190 1 16 . 1 1 102 102 ASN H H 137 8.406 8.406 7.829 0.577 17579 10191 1 16 . 1 1 103 103 LYS N N 138 121.782 121.782 120.236 1.546 17579 10192 1 16 . 1 1 103 103 LYS HA H 138 4.255 4.255 4.172 0.083 17579 10193 1 16 . 1 1 103 103 LYS CA C 138 56.641 56.641 58.261 -1.621 17579 10194 1 16 . 1 1 103 103 LYS CB C 138 32.911 32.911 32.133 0.778 17579 10195 1 16 . 1 1 103 103 LYS H H 138 8.316 8.316 8.731 -0.415 17579 10196 1 16 . 1 1 104 104 GLU N N 139 121.053 121.053 120.580 0.473 17579 10197 1 16 . 1 1 104 104 GLU CA C 139 57.449 57.449 59.768 -2.319 17579 10198 1 16 . 1 1 104 104 GLU CB C 139 29.983 29.983 29.045 0.938 17579 10199 1 16 . 1 1 104 104 GLU H H 139 8.459 8.459 8.356 0.103 17579 10200 1 16 . 1 1 106 106 GLU N N 141 122.191 122.191 119.618 2.573 17579 10201 1 16 . 1 1 106 106 GLU HA H 141 4.268 4.268 4.052 0.216 17579 10202 1 16 . 1 1 106 106 GLU CA C 141 64.025 64.025 59.235 4.790 17579 10203 1 16 . 1 1 106 106 GLU CB C 141 32.117 32.117 29.349 2.768 17579 10204 1 16 . 1 1 106 106 GLU H H 141 8.291 8.291 8.632 -0.341 17579 10205 1 16 . 1 1 107 107 TYR N N 142 115.802 115.802 121.464 -5.662 17579 10206 1 16 . 1 1 107 107 TYR HA H 142 4.996 4.996 4.049 0.947 17579 10207 1 16 . 1 1 107 107 TYR C C 142 175.381 175.381 177.284 -1.903 17579 10208 1 16 . 1 1 107 107 TYR CA C 142 57.581 57.581 61.533 -3.952 17579 10209 1 16 . 1 1 107 107 TYR CB C 142 39.533 39.533 38.262 1.271 17579 10210 1 16 . 1 1 107 107 TYR H H 142 7.344 7.344 8.729 -1.385 17579 10211 1 16 . 1 1 108 108 LYS N N 143 123.473 123.473 119.305 4.168 17579 10212 1 16 . 1 1 108 108 LYS HA H 143 3.628 3.628 3.422 0.206 17579 10213 1 16 . 1 1 108 108 LYS C C 143 177.659 177.659 178.570 -0.911 17579 10214 1 16 . 1 1 108 108 LYS CA C 143 59.988 59.988 59.285 0.703 17579 10215 1 16 . 1 1 108 108 LYS CB C 143 32.294 32.294 31.938 0.356 17579 10216 1 16 . 1 1 108 108 LYS H H 143 7.376 7.376 8.453 -1.077 17579 10217 1 16 . 1 1 109 109 GLU N N 144 118.799 118.799 118.767 0.032 17579 10218 1 16 . 1 1 109 109 GLU HA H 144 4.048 4.048 4.000 0.048 17579 10219 1 16 . 1 1 109 109 GLU C C 144 179.583 179.583 178.931 0.652 17579 10220 1 16 . 1 1 109 109 GLU CA C 144 60.200 60.200 59.744 0.456 17579 10221 1 16 . 1 1 109 109 GLU CB C 144 29.237 29.237 29.607 -0.370 17579 10222 1 16 . 1 1 109 109 GLU H H 144 8.558 8.558 8.160 0.398 17579 10223 1 16 . 1 1 110 110 SER N N 145 116.121 116.121 116.053 0.068 17579 10224 1 16 . 1 1 110 110 SER HA H 145 4.319 4.319 4.181 0.138 17579 10225 1 16 . 1 1 110 110 SER C C 145 176.522 176.522 176.752 -0.230 17579 10226 1 16 . 1 1 110 110 SER CA C 145 61.990 61.990 62.161 -0.171 17579 10227 1 16 . 1 1 110 110 SER CB C 145 63.293 63.293 63.019 0.274 17579 10228 1 16 . 1 1 110 110 SER H H 145 8.094 8.094 8.134 -0.040 17579 10229 1 16 . 1 1 111 111 PHE N N 146 122.311 122.311 122.783 -0.472 17579 10230 1 16 . 1 1 111 111 PHE HA H 146 4.021 4.021 4.157 -0.136 17579 10231 1 16 . 1 1 111 111 PHE C C 146 176.001 176.001 176.650 -0.649 17579 10232 1 16 . 1 1 111 111 PHE CA C 146 62.504 62.504 60.203 2.301 17579 10233 1 16 . 1 1 111 111 PHE CB C 146 39.861 39.861 38.594 1.267 17579 10234 1 16 . 1 1 111 111 PHE H H 146 8.536 8.536 8.717 -0.181 17579 10235 1 16 . 1 1 112 112 ASN N N 147 117.908 117.908 117.466 0.442 17579 10236 1 16 . 1 1 112 112 ASN HA H 147 4.252 4.252 4.149 0.103 17579 10237 1 16 . 1 1 112 112 ASN C C 147 178.315 178.315 177.335 0.980 17579 10238 1 16 . 1 1 112 112 ASN CA C 147 56.226 56.226 56.634 -0.408 17579 10239 1 16 . 1 1 112 112 ASN CB C 147 37.990 37.990 38.282 -0.292 17579 10240 1 16 . 1 1 112 112 ASN H H 147 8.795 8.795 8.615 0.180 17579 10241 1 16 . 1 1 113 113 GLU N N 148 119.868 119.868 120.079 -0.211 17579 10242 1 16 . 1 1 113 113 GLU HA H 148 4.024 4.024 4.073 -0.049 17579 10243 1 16 . 1 1 113 113 GLU C C 148 179.410 179.410 178.713 0.697 17579 10244 1 16 . 1 1 113 113 GLU CA C 148 59.710 59.710 59.235 0.475 17579 10245 1 16 . 1 1 113 113 GLU CB C 148 30.063 30.063 29.719 0.344 17579 10246 1 16 . 1 1 113 113 GLU H H 148 7.764 7.764 7.792 -0.028 17579 10247 1 16 . 1 1 114 114 VAL N N 149 119.684 119.684 117.399 2.285 17579 10248 1 16 . 1 1 114 114 VAL HA H 149 3.544 3.544 3.632 -0.088 17579 10249 1 16 . 1 1 114 114 VAL C C 149 177.613 177.613 178.318 -0.705 17579 10250 1 16 . 1 1 114 114 VAL CA C 149 66.977 66.977 66.071 0.906 17579 10251 1 16 . 1 1 114 114 VAL CB C 149 30.605 30.605 31.418 -0.813 17579 10252 1 16 . 1 1 114 114 VAL H H 149 7.973 7.973 7.963 0.010 17579 10253 1 16 . 1 1 115 115 VAL N N 150 119.782 119.782 121.127 -1.345 17579 10254 1 16 . 1 1 115 115 VAL HA H 150 3.164 3.164 3.434 -0.270 17579 10255 1 16 . 1 1 115 115 VAL C C 150 177.499 177.499 177.854 -0.355 17579 10256 1 16 . 1 1 115 115 VAL CA C 150 68.301 68.301 66.037 2.264 17579 10257 1 16 . 1 1 115 115 VAL CB C 150 31.483 31.483 30.581 0.902 17579 10258 1 16 . 1 1 115 115 VAL H H 150 8.452 8.452 8.334 0.118 17579 10259 1 16 . 1 1 116 116 LYS N N 151 118.842 118.842 119.090 -0.248 17579 10260 1 16 . 1 1 116 116 LYS HA H 151 4.024 4.024 3.832 0.192 17579 10261 1 16 . 1 1 116 116 LYS C C 151 179.862 179.862 178.830 1.032 17579 10262 1 16 . 1 1 116 116 LYS CA C 151 59.947 59.947 60.111 -0.164 17579 10263 1 16 . 1 1 116 116 LYS CB C 151 32.481 32.481 32.042 0.439 17579 10264 1 16 . 1 1 116 116 LYS H H 151 7.595 7.595 7.777 -0.182 17579 10265 1 16 . 1 1 117 117 GLU N N 152 120.243 120.243 120.168 0.075 17579 10266 1 16 . 1 1 117 117 GLU HA H 152 4.052 4.052 4.029 0.023 17579 10267 1 16 . 1 1 117 117 GLU C C 152 179.528 179.528 178.353 1.175 17579 10268 1 16 . 1 1 117 117 GLU CA C 152 60.178 60.178 59.468 0.710 17579 10269 1 16 . 1 1 117 117 GLU CB C 152 29.949 29.949 29.811 0.138 17579 10270 1 16 . 1 1 117 117 GLU H H 152 7.513 7.513 8.047 -0.534 17579 10271 1 16 . 1 1 118 118 VAL N N 153 120.596 120.596 119.269 1.327 17579 10272 1 16 . 1 1 118 118 VAL HA H 153 3.464 3.464 3.729 -0.265 17579 10273 1 16 . 1 1 118 118 VAL C C 153 177.984 177.984 177.461 0.523 17579 10274 1 16 . 1 1 118 118 VAL CA C 153 68.047 68.047 65.085 2.962 17579 10275 1 16 . 1 1 118 118 VAL CB C 153 32.056 32.056 31.630 0.426 17579 10276 1 16 . 1 1 118 118 VAL H H 153 8.649 8.649 7.898 0.751 17579 10277 1 16 . 1 1 119 119 GLN N N 154 118.317 118.317 118.075 0.242 17579 10278 1 16 . 1 1 119 119 GLN HA H 154 3.986 3.986 4.166 -0.180 17579 10279 1 16 . 1 1 119 119 GLN C C 154 178.984 178.984 177.392 1.592 17579 10280 1 16 . 1 1 119 119 GLN CA C 154 59.716 59.716 58.017 1.699 17579 10281 1 16 . 1 1 119 119 GLN CB C 154 28.261 28.261 29.400 -1.139 17579 10282 1 16 . 1 1 119 119 GLN H H 154 8.947 8.947 7.971 0.976 17579 10283 1 16 . 1 1 120 120 ALA N N 155 120.688 120.688 122.992 -2.304 17579 10284 1 16 . 1 1 120 120 ALA HA H 155 3.484 3.484 4.144 -0.660 17579 10285 1 16 . 1 1 120 120 ALA C C 155 180.759 180.759 178.132 2.627 17579 10286 1 16 . 1 1 120 120 ALA CA C 155 55.257 55.257 53.902 1.355 17579 10287 1 16 . 1 1 120 120 ALA CB C 155 18.446 18.446 19.252 -0.806 17579 10288 1 16 . 1 1 120 120 ALA H H 155 7.494 7.494 7.731 -0.237 17579 10289 1 17 . 1 1 2 2 LYS N N 37 124.936 124.936 122.133 2.803 17579 10290 1 17 . 1 1 2 2 LYS HA H 37 4.053 4.053 4.132 -0.079 17579 10291 1 17 . 1 1 2 2 LYS C C 37 172.929 172.929 178.114 -5.185 17579 10292 1 17 . 1 1 2 2 LYS CA C 37 60.975 60.975 58.780 2.195 17579 10293 1 17 . 1 1 2 2 LYS CB C 37 32.607 32.607 32.337 0.270 17579 10294 1 17 . 1 1 2 2 LYS H H 37 7.564 7.564 8.411 -0.847 17579 10295 1 17 . 1 1 3 3 LYS N N 38 118.300 118.300 118.687 -0.387 17579 10296 1 17 . 1 1 3 3 LYS HA H 38 4.045 4.045 4.102 -0.057 17579 10297 1 17 . 1 1 3 3 LYS C C 38 179.361 179.361 177.949 1.412 17579 10298 1 17 . 1 1 3 3 LYS CA C 38 59.930 59.930 58.580 1.350 17579 10299 1 17 . 1 1 3 3 LYS CB C 38 32.885 32.885 31.749 1.136 17579 10300 1 17 . 1 1 3 3 LYS H H 38 8.234 8.234 8.134 0.100 17579 10301 1 17 . 1 1 4 4 LEU N N 39 122.081 122.081 121.393 0.688 17579 10302 1 17 . 1 1 4 4 LEU HA H 39 4.135 4.135 3.832 0.303 17579 10303 1 17 . 1 1 4 4 LEU C C 39 178.433 178.433 178.171 0.262 17579 10304 1 17 . 1 1 4 4 LEU CA C 39 57.726 57.726 58.578 -0.851 17579 10305 1 17 . 1 1 4 4 LEU CB C 39 40.588 40.588 41.588 -1.000 17579 10306 1 17 . 1 1 4 4 LEU H H 39 7.856 7.856 7.371 0.485 17579 10307 1 17 . 1 1 5 5 ASN N N 40 118.758 118.758 115.162 3.596 17579 10308 1 17 . 1 1 5 5 ASN HA H 40 3.994 3.994 4.224 -0.230 17579 10309 1 17 . 1 1 5 5 ASN C C 40 176.246 176.246 177.228 -0.982 17579 10310 1 17 . 1 1 5 5 ASN CA C 40 57.843 57.843 56.535 1.308 17579 10311 1 17 . 1 1 5 5 ASN CB C 40 40.430 40.430 38.248 2.182 17579 10312 1 17 . 1 1 5 5 ASN H H 40 9.241 9.241 8.252 0.990 17579 10313 1 17 . 1 1 6 6 LYS N N 41 115.665 115.665 119.714 -4.049 17579 10314 1 17 . 1 1 6 6 LYS HA H 41 3.929 3.929 3.973 -0.044 17579 10315 1 17 . 1 1 6 6 LYS C C 41 179.318 179.318 179.053 0.265 17579 10316 1 17 . 1 1 6 6 LYS CA C 41 60.130 60.130 59.046 1.084 17579 10317 1 17 . 1 1 6 6 LYS CB C 41 32.580 32.580 32.002 0.578 17579 10318 1 17 . 1 1 6 6 LYS H H 41 7.239 7.239 7.401 -0.162 17579 10319 1 17 . 1 1 7 7 LYS N N 42 119.038 119.038 119.345 -0.307 17579 10320 1 17 . 1 1 7 7 LYS HA H 42 4.037 4.037 4.022 0.015 17579 10321 1 17 . 1 1 7 7 LYS C C 42 180.428 180.428 179.282 1.146 17579 10322 1 17 . 1 1 7 7 LYS CA C 42 60.178 60.178 59.229 0.949 17579 10323 1 17 . 1 1 7 7 LYS CB C 42 33.670 33.670 32.211 1.459 17579 10324 1 17 . 1 1 7 7 LYS H H 42 7.358 7.358 8.078 -0.720 17579 10325 1 17 . 1 1 8 8 VAL N N 43 122.489 122.489 119.181 3.308 17579 10326 1 17 . 1 1 8 8 VAL HA H 43 3.263 3.263 3.783 -0.520 17579 10327 1 17 . 1 1 8 8 VAL C C 43 177.823 177.823 178.347 -0.524 17579 10328 1 17 . 1 1 8 8 VAL CA C 43 67.836 67.836 67.050 0.786 17579 10329 1 17 . 1 1 8 8 VAL CB C 43 31.523 31.523 31.583 -0.060 17579 10330 1 17 . 1 1 8 8 VAL H H 43 9.167 9.167 8.206 0.961 17579 10331 1 17 . 1 1 9 9 LEU N N 44 119.740 119.740 118.597 1.143 17579 10332 1 17 . 1 1 9 9 LEU HA H 44 3.964 3.964 3.980 -0.016 17579 10333 1 17 . 1 1 9 9 LEU C C 44 179.700 179.700 178.854 0.846 17579 10334 1 17 . 1 1 9 9 LEU CA C 44 58.742 58.742 58.660 0.082 17579 10335 1 17 . 1 1 9 9 LEU CB C 44 41.239 41.239 41.241 -0.002 17579 10336 1 17 . 1 1 9 9 LEU H H 44 8.437 8.437 8.084 0.353 17579 10337 1 17 . 1 1 10 10 LYS N N 45 119.832 119.832 119.100 0.732 17579 10338 1 17 . 1 1 10 10 LYS HA H 45 4.013 4.013 4.127 -0.114 17579 10339 1 17 . 1 1 10 10 LYS C C 45 178.847 178.847 179.270 -0.423 17579 10340 1 17 . 1 1 10 10 LYS CA C 45 60.146 60.146 59.126 1.020 17579 10341 1 17 . 1 1 10 10 LYS CB C 45 32.583 32.583 31.677 0.906 17579 10342 1 17 . 1 1 10 10 LYS H H 45 7.857 7.857 8.336 -0.479 17579 10343 1 17 . 1 1 11 11 THR N N 46 116.695 116.695 117.525 -0.830 17579 10344 1 17 . 1 1 11 11 THR HA H 46 4.327 4.327 4.148 0.179 17579 10345 1 17 . 1 1 11 11 THR C C 46 176.211 176.211 176.625 -0.414 17579 10346 1 17 . 1 1 11 11 THR CA C 46 68.237 68.237 66.565 1.672 17579 10347 1 17 . 1 1 11 11 THR CB C 46 68.312 68.312 68.491 -0.179 17579 10348 1 17 . 1 1 11 11 THR H H 46 7.796 7.796 8.128 -0.332 17579 10349 1 17 . 1 1 12 12 VAL N N 47 122.013 122.013 121.922 0.091 17579 10350 1 17 . 1 1 12 12 VAL HA H 47 3.235 3.235 3.650 -0.415 17579 10351 1 17 . 1 1 12 12 VAL C C 47 177.909 177.909 176.858 1.051 17579 10352 1 17 . 1 1 12 12 VAL CA C 47 67.838 67.838 66.033 1.805 17579 10353 1 17 . 1 1 12 12 VAL CB C 47 31.706 31.706 31.887 -0.181 17579 10354 1 17 . 1 1 12 12 VAL H H 47 8.762 8.762 8.037 0.725 17579 10355 1 17 . 1 1 13 13 LYS N N 48 118.035 118.035 118.762 -0.727 17579 10356 1 17 . 1 1 13 13 LYS HA H 48 3.828 3.828 4.007 -0.179 17579 10357 1 17 . 1 1 13 13 LYS CA C 48 59.960 59.960 58.921 1.039 17579 10358 1 17 . 1 1 13 13 LYS CB C 48 32.837 32.837 32.145 0.692 17579 10359 1 17 . 1 1 13 13 LYS H H 48 7.492 7.492 7.894 -0.402 17579 10360 1 17 . 1 1 14 14 LYS N N 49 120.565 120.565 117.721 2.844 17579 10361 1 17 . 1 1 14 14 LYS HA H 49 3.952 3.952 4.089 -0.137 17579 10362 1 17 . 1 1 14 14 LYS C C 49 179.608 179.608 178.840 0.768 17579 10363 1 17 . 1 1 14 14 LYS CA C 49 59.950 59.950 58.360 1.590 17579 10364 1 17 . 1 1 14 14 LYS CB C 49 33.723 33.723 32.519 1.204 17579 10365 1 17 . 1 1 14 14 LYS H H 49 7.498 7.498 7.827 -0.329 17579 10366 1 17 . 1 1 15 15 ALA N N 50 122.192 122.192 120.545 1.647 17579 10367 1 17 . 1 1 15 15 ALA HA H 50 3.467 3.467 3.952 -0.485 17579 10368 1 17 . 1 1 15 15 ALA C C 50 179.970 179.970 179.658 0.312 17579 10369 1 17 . 1 1 15 15 ALA CA C 50 54.950 54.950 53.818 1.132 17579 10370 1 17 . 1 1 15 15 ALA CB C 50 19.270 19.270 17.373 1.897 17579 10371 1 17 . 1 1 15 15 ALA H H 50 8.529 8.529 7.799 0.730 17579 10372 1 17 . 1 1 16 16 SER N N 51 116.624 116.624 113.738 2.886 17579 10373 1 17 . 1 1 16 16 SER HA H 51 4.696 4.696 4.095 0.601 17579 10374 1 17 . 1 1 16 16 SER C C 51 178.705 178.705 176.116 2.589 17579 10375 1 17 . 1 1 16 16 SER CA C 51 62.206 62.206 61.239 0.967 17579 10376 1 17 . 1 1 16 16 SER CB C 51 62.918 62.918 62.993 -0.075 17579 10377 1 17 . 1 1 16 16 SER H H 51 8.542 8.542 7.942 0.600 17579 10378 1 17 . 1 1 17 17 LYS N N 52 124.866 124.866 119.779 5.087 17579 10379 1 17 . 1 1 17 17 LYS HA H 52 4.051 4.051 4.185 -0.134 17579 10380 1 17 . 1 1 17 17 LYS C C 52 177.563 177.563 177.369 0.194 17579 10381 1 17 . 1 1 17 17 LYS CA C 52 59.290 59.290 57.811 1.479 17579 10382 1 17 . 1 1 17 17 LYS CB C 52 32.104 32.104 32.632 -0.528 17579 10383 1 17 . 1 1 17 17 LYS H H 52 7.553 7.553 7.346 0.207 17579 10384 1 17 . 1 1 18 18 ALA N N 53 118.801 118.801 119.896 -1.095 17579 10385 1 17 . 1 1 18 18 ALA HA H 53 4.280 4.280 4.321 -0.041 17579 10386 1 17 . 1 1 18 18 ALA C C 53 175.253 175.253 176.910 -1.657 17579 10387 1 17 . 1 1 18 18 ALA CA C 53 52.222 52.222 51.653 0.569 17579 10388 1 17 . 1 1 18 18 ALA CB C 53 19.566 19.566 19.185 0.381 17579 10389 1 17 . 1 1 18 18 ALA H H 53 7.092 7.092 7.490 -0.398 17579 10390 1 17 . 1 1 19 19 LYS N N 54 112.119 112.119 116.162 -4.043 17579 10391 1 17 . 1 1 19 19 LYS HA H 54 4.027 4.027 3.932 0.095 17579 10392 1 17 . 1 1 19 19 LYS C C 54 177.191 177.191 174.942 2.249 17579 10393 1 17 . 1 1 19 19 LYS CA C 54 57.435 57.435 56.976 0.459 17579 10394 1 17 . 1 1 19 19 LYS CB C 54 28.420 28.420 29.995 -1.575 17579 10395 1 17 . 1 1 19 19 LYS H H 54 7.644 7.644 7.684 -0.040 17579 10396 1 17 . 1 1 20 20 ASN N N 55 116.236 116.236 114.446 1.790 17579 10397 1 17 . 1 1 20 20 ASN HA H 55 5.090 5.090 4.687 0.403 17579 10398 1 17 . 1 1 20 20 ASN C C 55 173.176 173.176 175.145 -1.969 17579 10399 1 17 . 1 1 20 20 ASN CA C 55 51.617 51.617 53.822 -2.204 17579 10400 1 17 . 1 1 20 20 ASN CB C 55 40.642 40.642 40.444 0.198 17579 10401 1 17 . 1 1 20 20 ASN H H 55 8.099 8.099 7.733 0.366 17579 10402 1 17 . 1 1 21 21 VAL N N 56 115.268 115.268 119.393 -4.125 17579 10403 1 17 . 1 1 21 21 VAL HA H 56 4.864 4.864 4.106 0.758 17579 10404 1 17 . 1 1 21 21 VAL C C 56 175.526 175.526 174.910 0.616 17579 10405 1 17 . 1 1 21 21 VAL CA C 56 61.314 61.314 62.143 -0.829 17579 10406 1 17 . 1 1 21 21 VAL CB C 56 35.532 35.532 32.622 2.910 17579 10407 1 17 . 1 1 21 21 VAL H H 56 7.621 7.621 7.791 -0.170 17579 10408 1 17 . 1 1 22 22 LYS N N 57 126.903 126.903 129.575 -2.672 17579 10409 1 17 . 1 1 22 22 LYS HA H 57 4.682 4.682 4.764 -0.082 17579 10410 1 17 . 1 1 22 22 LYS C C 57 175.564 175.564 175.032 0.532 17579 10411 1 17 . 1 1 22 22 LYS CA C 57 54.694 54.694 54.889 -0.195 17579 10412 1 17 . 1 1 22 22 LYS CB C 57 33.975 33.975 34.913 -0.938 17579 10413 1 17 . 1 1 22 22 LYS H H 57 9.006 9.006 8.712 0.294 17579 10414 1 17 . 1 1 23 23 ARG N N 58 122.053 122.053 123.353 -1.300 17579 10415 1 17 . 1 1 23 23 ARG HA H 58 4.850 4.850 4.549 0.301 17579 10416 1 17 . 1 1 23 23 ARG C C 58 176.136 176.136 176.385 -0.249 17579 10417 1 17 . 1 1 23 23 ARG CA C 58 56.100 56.100 54.858 1.242 17579 10418 1 17 . 1 1 23 23 ARG CB C 58 33.752 33.752 31.864 1.887 17579 10419 1 17 . 1 1 23 23 ARG H H 58 8.994 8.994 8.825 0.169 17579 10420 1 17 . 1 1 24 24 GLY N N 59 110.836 110.836 109.336 1.500 17579 10421 1 17 . 1 1 24 24 GLY C C 59 173.053 173.053 173.798 -0.745 17579 10422 1 17 . 1 1 24 24 GLY CA C 59 45.028 45.028 44.344 0.684 17579 10423 1 17 . 1 1 24 24 GLY H H 59 8.205 8.205 8.440 -0.235 17579 10424 1 17 . 1 1 25 25 VAL N N 60 119.573 119.573 122.800 -3.227 17579 10425 1 17 . 1 1 25 25 VAL HA H 60 4.117 4.117 3.653 0.464 17579 10426 1 17 . 1 1 25 25 VAL C C 60 176.366 176.366 176.757 -0.391 17579 10427 1 17 . 1 1 25 25 VAL CA C 60 67.542 67.542 65.335 2.207 17579 10428 1 17 . 1 1 25 25 VAL CB C 60 32.147 32.147 32.092 0.055 17579 10429 1 17 . 1 1 25 25 VAL H H 60 8.219 8.219 8.547 -0.328 17579 10430 1 17 . 1 1 26 26 LYS N N 61 117.987 117.987 119.287 -1.300 17579 10431 1 17 . 1 1 26 26 LYS HA H 61 3.896 3.896 3.978 -0.082 17579 10432 1 17 . 1 1 26 26 LYS C C 61 180.230 180.230 178.162 2.068 17579 10433 1 17 . 1 1 26 26 LYS CA C 61 60.492 60.492 59.898 0.594 17579 10434 1 17 . 1 1 26 26 LYS CB C 61 32.356 32.356 32.023 0.333 17579 10435 1 17 . 1 1 26 26 LYS H H 61 8.112 8.112 8.316 -0.204 17579 10436 1 17 . 1 1 27 27 GLU N N 62 117.610 117.610 118.889 -1.279 17579 10437 1 17 . 1 1 27 27 GLU HA H 62 3.937 3.937 4.035 -0.099 17579 10438 1 17 . 1 1 27 27 GLU C C 62 180.103 180.103 179.215 0.888 17579 10439 1 17 . 1 1 27 27 GLU CA C 62 59.119 59.119 59.321 -0.202 17579 10440 1 17 . 1 1 27 27 GLU CB C 62 30.052 30.052 28.884 1.167 17579 10441 1 17 . 1 1 27 27 GLU H H 62 8.493 8.493 8.360 0.133 17579 10442 1 17 . 1 1 28 28 VAL N N 63 120.585 120.585 120.873 -0.288 17579 10443 1 17 . 1 1 28 28 VAL HA H 63 3.478 3.478 3.657 -0.179 17579 10444 1 17 . 1 1 28 28 VAL C C 63 176.970 176.970 177.857 -0.887 17579 10445 1 17 . 1 1 28 28 VAL CA C 63 68.197 68.197 67.522 0.675 17579 10446 1 17 . 1 1 28 28 VAL CB C 63 31.632 31.632 32.066 -0.434 17579 10447 1 17 . 1 1 28 28 VAL H H 63 8.241 8.241 7.986 0.255 17579 10448 1 17 . 1 1 29 29 VAL N N 64 118.622 118.622 119.426 -0.804 17579 10449 1 17 . 1 1 29 29 VAL HA H 64 3.333 3.333 3.533 -0.200 17579 10450 1 17 . 1 1 29 29 VAL C C 64 177.709 177.709 178.350 -0.641 17579 10451 1 17 . 1 1 29 29 VAL CA C 64 67.751 67.751 66.705 1.046 17579 10452 1 17 . 1 1 29 29 VAL CB C 64 31.553 31.553 31.317 0.236 17579 10453 1 17 . 1 1 29 29 VAL H H 64 8.510 8.510 8.032 0.478 17579 10454 1 17 . 1 1 30 30 LYS N N 65 118.138 118.138 118.844 -0.706 17579 10455 1 17 . 1 1 30 30 LYS HA H 65 3.855 3.855 3.950 -0.095 17579 10456 1 17 . 1 1 30 30 LYS C C 65 178.693 178.693 178.634 0.059 17579 10457 1 17 . 1 1 30 30 LYS CA C 65 59.986 59.986 59.278 0.708 17579 10458 1 17 . 1 1 30 30 LYS CB C 65 32.800 32.800 31.864 0.936 17579 10459 1 17 . 1 1 30 30 LYS H H 65 7.533 7.533 8.102 -0.569 17579 10460 1 17 . 1 1 31 31 ALA N N 66 120.585 120.585 121.178 -0.593 17579 10461 1 17 . 1 1 31 31 ALA HA H 66 4.049 4.049 4.079 -0.030 17579 10462 1 17 . 1 1 31 31 ALA C C 66 179.745 179.745 178.996 0.749 17579 10463 1 17 . 1 1 31 31 ALA CA C 66 55.288 55.288 54.552 0.736 17579 10464 1 17 . 1 1 31 31 ALA CB C 66 19.207 19.207 17.990 1.217 17579 10465 1 17 . 1 1 31 31 ALA H H 66 7.489 7.489 8.100 -0.611 17579 10466 1 17 . 1 1 32 32 LEU N N 67 119.402 119.402 115.321 4.081 17579 10467 1 17 . 1 1 32 32 LEU HA H 67 3.976 3.976 4.270 -0.294 17579 10468 1 17 . 1 1 32 32 LEU C C 67 180.917 180.917 178.661 2.256 17579 10469 1 17 . 1 1 32 32 LEU CA C 67 58.115 58.115 56.753 1.362 17579 10470 1 17 . 1 1 32 32 LEU CB C 67 42.554 42.554 41.964 0.590 17579 10471 1 17 . 1 1 32 32 LEU H H 67 8.332 8.332 7.504 0.828 17579 10472 1 17 . 1 1 33 33 ARG N N 68 116.408 116.408 120.026 -3.618 17579 10473 1 17 . 1 1 33 33 ARG HA H 68 3.787 3.787 4.174 -0.387 17579 10474 1 17 . 1 1 33 33 ARG C C 68 178.472 178.472 178.209 0.263 17579 10475 1 17 . 1 1 33 33 ARG CA C 68 59.581 59.581 58.036 1.545 17579 10476 1 17 . 1 1 33 33 ARG CB C 68 29.946 29.946 30.298 -0.352 17579 10477 1 17 . 1 1 33 33 ARG H H 68 8.147 8.147 7.997 0.150 17579 10478 1 17 . 1 1 34 34 LYS N N 69 117.866 117.866 117.947 -0.081 17579 10479 1 17 . 1 1 34 34 LYS HA H 69 4.232 4.232 4.373 -0.141 17579 10480 1 17 . 1 1 34 34 LYS C C 69 177.005 177.005 177.267 -0.262 17579 10481 1 17 . 1 1 34 34 LYS CA C 69 56.788 56.788 56.739 0.049 17579 10482 1 17 . 1 1 34 34 LYS CB C 69 33.008 33.008 32.886 0.122 17579 10483 1 17 . 1 1 34 34 LYS H H 69 7.606 7.606 8.337 -0.731 17579 10484 1 17 . 1 1 35 35 GLY N N 70 106.799 106.799 107.366 -0.567 17579 10485 1 17 . 1 1 35 35 GLY C C 70 175.547 175.547 174.543 1.004 17579 10486 1 17 . 1 1 35 35 GLY CA C 70 45.969 45.969 45.329 0.640 17579 10487 1 17 . 1 1 35 35 GLY H H 70 7.678 7.678 7.787 -0.109 17579 10488 1 17 . 1 1 36 36 GLU N N 71 119.492 119.492 122.484 -2.992 17579 10489 1 17 . 1 1 36 36 GLU HA H 71 4.199 4.199 4.274 -0.075 17579 10490 1 17 . 1 1 36 36 GLU C C 71 175.625 175.625 175.655 -0.030 17579 10491 1 17 . 1 1 36 36 GLU CA C 71 57.696 57.696 55.766 1.930 17579 10492 1 17 . 1 1 36 36 GLU CB C 71 29.620 29.620 27.850 1.770 17579 10493 1 17 . 1 1 36 36 GLU H H 71 7.686 7.686 8.512 -0.826 17579 10494 1 17 . 1 1 37 37 LYS N N 72 118.433 118.433 121.577 -3.144 17579 10495 1 17 . 1 1 37 37 LYS HA H 72 4.863 4.863 4.471 0.392 17579 10496 1 17 . 1 1 37 37 LYS C C 72 175.983 175.983 176.046 -0.063 17579 10497 1 17 . 1 1 37 37 LYS CA C 72 54.299 54.299 54.251 0.048 17579 10498 1 17 . 1 1 37 37 LYS CB C 72 35.140 35.140 33.954 1.186 17579 10499 1 17 . 1 1 37 37 LYS H H 72 8.202 8.202 8.031 0.171 17579 10500 1 17 . 1 1 38 38 GLY N N 73 104.719 104.719 107.516 -2.797 17579 10501 1 17 . 1 1 38 38 GLY C C 73 172.071 172.071 173.163 -1.092 17579 10502 1 17 . 1 1 38 38 GLY CA C 73 46.798 46.798 45.850 0.948 17579 10503 1 17 . 1 1 38 38 GLY H H 73 7.214 7.214 8.870 -1.657 17579 10504 1 17 . 1 1 39 39 LEU N N 74 125.471 125.471 122.916 2.555 17579 10505 1 17 . 1 1 39 39 LEU HA H 74 4.992 4.992 4.931 0.061 17579 10506 1 17 . 1 1 39 39 LEU C C 74 174.651 174.651 174.841 -0.190 17579 10507 1 17 . 1 1 39 39 LEU CA C 74 54.686 54.686 54.795 -0.109 17579 10508 1 17 . 1 1 39 39 LEU CB C 74 47.360 47.360 45.964 1.396 17579 10509 1 17 . 1 1 39 39 LEU H H 74 8.930 8.930 8.172 0.758 17579 10510 1 17 . 1 1 40 40 VAL N N 75 130.975 130.975 127.868 3.107 17579 10511 1 17 . 1 1 40 40 VAL HA H 75 4.649 4.649 3.924 0.725 17579 10512 1 17 . 1 1 40 40 VAL C C 75 173.868 173.868 175.590 -1.722 17579 10513 1 17 . 1 1 40 40 VAL CA C 75 62.513 62.513 61.269 1.244 17579 10514 1 17 . 1 1 40 40 VAL CB C 75 32.856 32.856 30.451 2.405 17579 10515 1 17 . 1 1 40 40 VAL H H 75 8.549 8.549 8.879 -0.330 17579 10516 1 17 . 1 1 41 41 VAL N N 76 127.452 127.452 129.220 -1.768 17579 10517 1 17 . 1 1 41 41 VAL HA H 76 4.645 4.645 4.288 0.357 17579 10518 1 17 . 1 1 41 41 VAL C C 76 173.931 173.931 175.430 -1.499 17579 10519 1 17 . 1 1 41 41 VAL CA C 76 61.015 61.015 62.867 -1.853 17579 10520 1 17 . 1 1 41 41 VAL CB C 76 33.844 33.844 31.608 2.236 17579 10521 1 17 . 1 1 41 41 VAL H H 76 8.754 8.754 8.386 0.368 17579 10522 1 17 . 1 1 42 42 ILE N N 77 126.301 126.301 128.165 -1.864 17579 10523 1 17 . 1 1 42 42 ILE HA H 77 4.455 4.455 5.116 -0.661 17579 10524 1 17 . 1 1 42 42 ILE C C 77 174.965 174.965 175.168 -0.203 17579 10525 1 17 . 1 1 42 42 ILE CA C 77 59.842 59.842 57.858 1.984 17579 10526 1 17 . 1 1 42 42 ILE CB C 77 40.257 40.257 40.669 -0.412 17579 10527 1 17 . 1 1 42 42 ILE H H 77 8.530 8.530 8.994 -0.464 17579 10528 1 17 . 1 1 43 43 ALA N N 78 128.716 128.716 130.220 -1.504 17579 10529 1 17 . 1 1 43 43 ALA HA H 78 4.469 4.469 4.849 -0.380 17579 10530 1 17 . 1 1 43 43 ALA C C 78 177.979 177.979 179.080 -1.101 17579 10531 1 17 . 1 1 43 43 ALA CA C 78 52.398 52.398 51.041 1.357 17579 10532 1 17 . 1 1 43 43 ALA CB C 78 19.600 19.600 18.804 0.796 17579 10533 1 17 . 1 1 43 43 ALA H H 78 8.538 8.538 8.213 0.325 17579 10534 1 17 . 1 1 44 44 GLY N N 79 104.343 104.343 111.886 -7.543 17579 10535 1 17 . 1 1 44 44 GLY C C 79 173.472 173.472 175.248 -1.776 17579 10536 1 17 . 1 1 44 44 GLY CA C 79 46.239 46.239 46.895 -0.656 17579 10537 1 17 . 1 1 44 44 GLY H H 79 9.090 9.090 8.390 0.700 17579 10538 1 17 . 1 1 45 45 ASP N N 80 118.154 118.154 119.920 -1.766 17579 10539 1 17 . 1 1 45 45 ASP HA H 80 4.855 4.855 4.561 0.294 17579 10540 1 17 . 1 1 45 45 ASP C C 80 176.500 176.500 175.901 0.599 17579 10541 1 17 . 1 1 45 45 ASP CA C 80 52.804 52.804 55.206 -2.402 17579 10542 1 17 . 1 1 45 45 ASP CB C 80 39.410 39.410 41.515 -2.105 17579 10543 1 17 . 1 1 45 45 ASP H H 80 8.603 8.603 8.513 0.090 17579 10544 1 17 . 1 1 46 46 ILE N N 81 118.477 118.477 121.152 -2.675 17579 10545 1 17 . 1 1 46 46 ILE HA H 81 4.073 4.073 4.285 -0.212 17579 10546 1 17 . 1 1 46 46 ILE C C 81 173.822 173.822 174.000 -0.178 17579 10547 1 17 . 1 1 46 46 ILE CA C 81 59.882 59.882 60.859 -0.977 17579 10548 1 17 . 1 1 46 46 ILE CB C 81 39.136 39.136 39.683 -0.547 17579 10549 1 17 . 1 1 46 46 ILE H H 81 6.846 6.846 7.446 -0.600 17579 10550 1 17 . 1 1 47 47 SER N N 82 117.552 117.552 122.244 -4.692 17579 10551 1 17 . 1 1 47 47 SER HA H 82 4.628 4.628 4.746 -0.118 17579 10552 1 17 . 1 1 47 47 SER C C 82 176.920 176.920 172.410 4.510 17579 10553 1 17 . 1 1 47 47 SER CA C 82 55.444 55.444 55.908 -0.464 17579 10554 1 17 . 1 1 47 47 SER CB C 82 65.268 65.268 64.340 0.928 17579 10555 1 17 . 1 1 47 47 SER H H 82 7.774 7.774 8.448 -0.674 17579 10556 1 17 . 1 1 48 48 PRO HA H 83 4.259 4.259 4.521 -0.262 17579 10557 1 17 . 1 1 48 48 PRO CA C 83 62.312 62.312 62.462 -0.149 17579 10558 1 17 . 1 1 48 48 PRO CB C 83 30.564 30.564 32.359 -1.795 17579 10559 1 17 . 1 1 49 49 ALA N N 84 122.207 122.207 120.467 1.740 17579 10560 1 17 . 1 1 49 49 ALA HA H 84 3.978 3.978 4.160 -0.182 17579 10561 1 17 . 1 1 49 49 ALA C C 84 178.699 178.699 177.775 0.924 17579 10562 1 17 . 1 1 49 49 ALA CA C 84 54.704 54.704 53.555 1.149 17579 10563 1 17 . 1 1 49 49 ALA CB C 84 19.393 19.393 18.313 1.080 17579 10564 1 17 . 1 1 49 49 ALA H H 84 8.091 8.091 8.377 -0.286 17579 10565 1 17 . 1 1 50 50 ASP N N 85 113.440 113.440 119.675 -6.235 17579 10566 1 17 . 1 1 50 50 ASP HA H 85 4.338 4.338 4.545 -0.207 17579 10567 1 17 . 1 1 50 50 ASP C C 85 177.723 177.723 178.396 -0.673 17579 10568 1 17 . 1 1 50 50 ASP CA C 85 56.203 56.203 56.197 0.006 17579 10569 1 17 . 1 1 50 50 ASP CB C 85 40.562 40.562 40.924 -0.362 17579 10570 1 17 . 1 1 50 50 ASP H H 85 8.148 8.148 8.256 -0.108 17579 10571 1 17 . 1 1 51 51 VAL N N 86 116.604 116.604 121.217 -4.613 17579 10572 1 17 . 1 1 51 51 VAL HA H 86 3.925 3.925 3.827 0.098 17579 10573 1 17 . 1 1 51 51 VAL C C 86 176.966 176.966 177.019 -0.053 17579 10574 1 17 . 1 1 51 51 VAL CA C 86 65.241 65.241 65.680 -0.439 17579 10575 1 17 . 1 1 51 51 VAL CB C 86 32.467 32.467 31.968 0.499 17579 10576 1 17 . 1 1 51 51 VAL H H 86 7.538 7.538 8.017 -0.479 17579 10577 1 17 . 1 1 52 52 ILE N N 87 108.211 108.211 119.207 -10.996 17579 10578 1 17 . 1 1 52 52 ILE HA H 87 4.565 4.565 3.861 0.704 17579 10579 1 17 . 1 1 52 52 ILE C C 87 178.116 178.116 176.595 1.521 17579 10580 1 17 . 1 1 52 52 ILE CA C 87 60.165 60.165 62.813 -2.648 17579 10581 1 17 . 1 1 52 52 ILE CB C 87 41.048 41.048 37.793 3.255 17579 10582 1 17 . 1 1 52 52 ILE H H 87 7.283 7.283 7.615 -0.332 17579 10583 1 17 . 1 1 53 53 SER N N 88 116.088 116.088 115.573 0.515 17579 10584 1 17 . 1 1 53 53 SER HA H 88 4.538 4.538 4.316 0.222 17579 10585 1 17 . 1 1 53 53 SER CA C 88 61.852 61.852 60.957 0.895 17579 10586 1 17 . 1 1 53 53 SER CB C 88 62.604 62.604 64.028 -1.424 17579 10587 1 17 . 1 1 53 53 SER H H 88 7.845 7.845 7.622 0.223 17579 10588 1 17 . 1 1 54 54 HIS N N 89 121.004 121.004 122.634 -1.630 17579 10589 1 17 . 1 1 54 54 HIS HA H 89 4.590 4.590 4.478 0.112 17579 10590 1 17 . 1 1 54 54 HIS C C 89 176.530 176.530 177.524 -0.994 17579 10591 1 17 . 1 1 54 54 HIS CA C 89 56.554 56.554 58.525 -1.971 17579 10592 1 17 . 1 1 54 54 HIS CB C 89 33.261 33.261 30.634 2.627 17579 10593 1 17 . 1 1 54 54 HIS H H 89 8.450 8.450 8.159 0.291 17579 10594 1 17 . 1 1 55 55 ILE N N 90 123.909 123.909 121.463 2.446 17579 10595 1 17 . 1 1 55 55 ILE HA H 90 4.583 4.583 3.658 0.925 17579 10596 1 17 . 1 1 55 55 ILE CA C 90 62.230 62.230 66.142 -3.912 17579 10597 1 17 . 1 1 55 55 ILE CB C 90 42.418 42.418 34.780 7.638 17579 10598 1 17 . 1 1 55 55 ILE H H 90 8.142 8.142 8.658 -0.516 17579 10599 1 17 . 1 1 56 56 PRO HA H 91 2.974 2.974 4.344 -1.370 17579 10600 1 17 . 1 1 56 56 PRO C C 91 177.132 177.132 179.085 -1.953 17579 10601 1 17 . 1 1 56 56 PRO CA C 91 66.917 66.917 65.735 1.182 17579 10602 1 17 . 1 1 56 56 PRO CB C 91 31.519 31.519 31.184 0.335 17579 10603 1 17 . 1 1 57 57 VAL N N 92 114.761 114.761 119.624 -4.863 17579 10604 1 17 . 1 1 57 57 VAL HA H 92 3.570 3.570 3.804 -0.234 17579 10605 1 17 . 1 1 57 57 VAL C C 92 177.995 177.995 178.178 -0.183 17579 10606 1 17 . 1 1 57 57 VAL CA C 92 66.358 66.358 66.065 0.293 17579 10607 1 17 . 1 1 57 57 VAL CB C 92 31.694 31.694 31.541 0.153 17579 10608 1 17 . 1 1 57 57 VAL H H 92 6.505 6.505 7.253 -0.748 17579 10609 1 17 . 1 1 58 58 LEU N N 93 120.572 120.572 118.706 1.866 17579 10610 1 17 . 1 1 58 58 LEU HA H 93 4.200 4.200 4.123 0.077 17579 10611 1 17 . 1 1 58 58 LEU C C 93 180.452 180.452 178.748 1.704 17579 10612 1 17 . 1 1 58 58 LEU CA C 93 57.938 57.938 58.219 -0.281 17579 10613 1 17 . 1 1 58 58 LEU CB C 93 43.394 43.394 40.792 2.602 17579 10614 1 17 . 1 1 58 58 LEU H H 93 7.432 7.432 8.216 -0.784 17579 10615 1 17 . 1 1 59 59 CYS N N 94 117.330 117.330 118.463 -1.133 17579 10616 1 17 . 1 1 59 59 CYS HA H 94 3.827 3.827 4.137 -0.310 17579 10617 1 17 . 1 1 59 59 CYS C C 94 177.986 177.986 176.834 1.152 17579 10618 1 17 . 1 1 59 59 CYS CA C 94 65.483 65.483 63.321 2.162 17579 10619 1 17 . 1 1 59 59 CYS CB C 94 26.552 26.552 27.954 -1.402 17579 10620 1 17 . 1 1 59 59 CYS H H 94 8.423 8.423 8.077 0.346 17579 10621 1 17 . 1 1 60 60 GLU N N 95 120.766 120.766 119.072 1.694 17579 10622 1 17 . 1 1 60 60 GLU HA H 95 3.512 3.512 4.128 -0.616 17579 10623 1 17 . 1 1 60 60 GLU C C 95 180.736 180.736 177.399 3.337 17579 10624 1 17 . 1 1 60 60 GLU CA C 95 59.909 59.909 58.480 1.429 17579 10625 1 17 . 1 1 60 60 GLU CB C 95 29.108 29.108 29.471 -0.363 17579 10626 1 17 . 1 1 60 60 GLU H H 95 8.237 8.237 7.952 0.285 17579 10627 1 17 . 1 1 61 61 ASP N N 96 120.591 120.591 118.934 1.657 17579 10628 1 17 . 1 1 61 61 ASP HA H 96 4.311 4.311 4.559 -0.248 17579 10629 1 17 . 1 1 61 61 ASP C C 96 178.004 178.004 177.372 0.632 17579 10630 1 17 . 1 1 61 61 ASP CA C 96 57.549 57.549 55.994 1.555 17579 10631 1 17 . 1 1 61 61 ASP CB C 96 41.083 41.083 41.340 -0.257 17579 10632 1 17 . 1 1 61 61 ASP H H 96 8.345 8.345 7.890 0.455 17579 10633 1 17 . 1 1 62 62 HIS N N 97 115.844 115.844 115.521 0.323 17579 10634 1 17 . 1 1 62 62 HIS HA H 97 4.575 4.575 4.769 -0.194 17579 10635 1 17 . 1 1 62 62 HIS C C 97 173.728 173.728 174.284 -0.556 17579 10636 1 17 . 1 1 62 62 HIS CA C 97 57.418 57.418 55.850 1.568 17579 10637 1 17 . 1 1 62 62 HIS CB C 97 30.067 30.067 32.273 -2.205 17579 10638 1 17 . 1 1 62 62 HIS H H 97 7.663 7.663 7.876 -0.213 17579 10639 1 17 . 1 1 63 63 SER N N 98 114.813 114.813 113.114 1.699 17579 10640 1 17 . 1 1 63 63 SER HA H 98 4.097 4.097 4.163 -0.066 17579 10641 1 17 . 1 1 63 63 SER C C 98 173.789 173.789 173.849 -0.060 17579 10642 1 17 . 1 1 63 63 SER CA C 98 59.255 59.255 58.727 0.528 17579 10643 1 17 . 1 1 63 63 SER CB C 98 61.602 61.602 61.215 0.387 17579 10644 1 17 . 1 1 63 63 SER H H 98 7.861 7.861 8.060 -0.199 17579 10645 1 17 . 1 1 64 64 VAL N N 99 123.227 123.227 121.654 1.573 17579 10646 1 17 . 1 1 64 64 VAL HA H 99 4.157 4.157 4.268 -0.111 17579 10647 1 17 . 1 1 64 64 VAL C C 99 174.345 174.345 174.934 -0.589 17579 10648 1 17 . 1 1 64 64 VAL CA C 99 58.923 58.923 60.991 -2.068 17579 10649 1 17 . 1 1 64 64 VAL CB C 99 35.133 35.133 32.871 2.262 17579 10650 1 17 . 1 1 64 64 VAL H H 99 8.603 8.603 7.472 1.131 17579 10651 1 17 . 1 1 65 65 PRO HA H 100 4.260 4.260 4.444 -0.184 17579 10652 1 17 . 1 1 65 65 PRO C C 100 173.335 173.335 175.212 -1.877 17579 10653 1 17 . 1 1 65 65 PRO CA C 100 63.165 63.165 62.943 0.222 17579 10654 1 17 . 1 1 65 65 PRO CB C 100 32.083 32.083 29.765 2.318 17579 10655 1 17 . 1 1 66 66 TYR N N 101 114.840 114.840 124.819 -9.979 17579 10656 1 17 . 1 1 66 66 TYR HA H 101 5.900 5.900 4.757 1.143 17579 10657 1 17 . 1 1 66 66 TYR C C 101 170.503 170.503 173.222 -2.719 17579 10658 1 17 . 1 1 66 66 TYR CA C 101 53.986 53.986 56.608 -2.622 17579 10659 1 17 . 1 1 66 66 TYR CB C 101 41.998 41.998 40.712 1.286 17579 10660 1 17 . 1 1 66 66 TYR H H 101 6.219 6.219 7.995 -1.776 17579 10661 1 17 . 1 1 67 67 ILE N N 102 112.118 112.118 123.950 -11.832 17579 10662 1 17 . 1 1 67 67 ILE HA H 102 4.488 4.488 4.101 0.387 17579 10663 1 17 . 1 1 67 67 ILE C C 102 171.963 171.963 173.261 -1.298 17579 10664 1 17 . 1 1 67 67 ILE CA C 102 55.343 55.343 58.559 -3.216 17579 10665 1 17 . 1 1 67 67 ILE CB C 102 43.317 43.317 42.127 1.190 17579 10666 1 17 . 1 1 67 67 ILE H H 102 7.954 7.954 8.635 -0.681 17579 10667 1 17 . 1 1 68 68 PHE N N 103 122.272 122.272 123.041 -0.769 17579 10668 1 17 . 1 1 68 68 PHE HA H 103 5.945 5.945 5.386 0.559 17579 10669 1 17 . 1 1 68 68 PHE C C 103 176.374 176.374 174.110 2.264 17579 10670 1 17 . 1 1 68 68 PHE CA C 103 56.520 56.520 55.045 1.475 17579 10671 1 17 . 1 1 68 68 PHE CB C 103 40.518 40.518 41.326 -0.808 17579 10672 1 17 . 1 1 68 68 PHE H H 103 8.087 8.087 7.690 0.397 17579 10673 1 17 . 1 1 69 69 ILE N N 104 114.672 114.672 116.548 -1.876 17579 10674 1 17 . 1 1 69 69 ILE HA H 104 2.991 2.991 4.833 -1.842 17579 10675 1 17 . 1 1 69 69 ILE C C 104 175.387 175.387 173.981 1.406 17579 10676 1 17 . 1 1 69 69 ILE CA C 104 57.903 57.903 58.185 -0.282 17579 10677 1 17 . 1 1 69 69 ILE CB C 104 38.207 38.207 40.429 -2.223 17579 10678 1 17 . 1 1 69 69 ILE H H 104 8.847 8.847 9.239 -0.392 17579 10679 1 17 . 1 1 70 70 PRO HA H 105 3.918 3.918 4.793 -0.875 17579 10680 1 17 . 1 1 70 70 PRO C C 105 177.442 177.442 176.133 1.309 17579 10681 1 17 . 1 1 70 70 PRO CA C 105 64.823 64.823 63.175 1.648 17579 10682 1 17 . 1 1 70 70 PRO CB C 105 35.906 35.906 30.883 5.024 17579 10683 1 17 . 1 1 71 71 SER N N 106 113.113 113.113 118.825 -5.712 17579 10684 1 17 . 1 1 71 71 SER HA H 106 4.261 4.261 4.656 -0.395 17579 10685 1 17 . 1 1 71 71 SER C C 106 175.111 175.111 174.618 0.493 17579 10686 1 17 . 1 1 71 71 SER CA C 106 60.111 60.111 58.302 1.809 17579 10687 1 17 . 1 1 71 71 SER CB C 106 63.687 63.687 64.894 -1.207 17579 10688 1 17 . 1 1 71 71 SER H H 106 7.904 7.904 8.269 -0.365 17579 10689 1 17 . 1 1 72 72 LYS N N 107 119.830 119.830 126.450 -6.620 17579 10690 1 17 . 1 1 72 72 LYS HA H 107 4.187 4.187 3.907 0.280 17579 10691 1 17 . 1 1 72 72 LYS CA C 107 58.783 58.783 60.954 -2.171 17579 10692 1 17 . 1 1 72 72 LYS CB C 107 30.951 30.951 32.341 -1.390 17579 10693 1 17 . 1 1 72 72 LYS H H 107 8.314 8.314 8.774 -0.460 17579 10694 1 17 . 1 1 73 73 GLN N N 108 123.860 123.860 118.804 5.056 17579 10695 1 17 . 1 1 73 73 GLN HA H 108 4.001 4.001 4.068 -0.067 17579 10696 1 17 . 1 1 73 73 GLN CA C 108 58.831 58.831 59.736 -0.905 17579 10697 1 17 . 1 1 73 73 GLN CB C 108 28.451 28.451 27.805 0.646 17579 10698 1 17 . 1 1 73 73 GLN H H 108 8.510 8.510 8.642 -0.132 17579 10699 1 17 . 1 1 74 74 ASP N N 109 121.145 121.145 119.830 1.315 17579 10700 1 17 . 1 1 74 74 ASP HA H 109 4.389 4.389 4.362 0.027 17579 10701 1 17 . 1 1 74 74 ASP C C 109 178.552 178.552 178.824 -0.272 17579 10702 1 17 . 1 1 74 74 ASP H H 109 7.966 7.966 8.275 -0.309 17579 10703 1 17 . 1 1 75 75 LEU N N 110 121.098 121.098 120.475 0.623 17579 10704 1 17 . 1 1 75 75 LEU HA H 110 3.955 3.955 3.958 -0.003 17579 10705 1 17 . 1 1 75 75 LEU C C 110 178.953 178.953 179.087 -0.134 17579 10706 1 17 . 1 1 75 75 LEU CA C 110 56.538 56.538 57.748 -1.210 17579 10707 1 17 . 1 1 75 75 LEU CB C 110 40.845 40.845 41.920 -1.075 17579 10708 1 17 . 1 1 75 75 LEU H H 110 7.932 7.932 8.256 -0.324 17579 10709 1 17 . 1 1 76 76 GLY N N 111 105.659 105.659 107.207 -1.548 17579 10710 1 17 . 1 1 76 76 GLY C C 111 175.510 175.510 175.449 0.061 17579 10711 1 17 . 1 1 76 76 GLY CA C 111 47.037 47.037 47.200 -0.163 17579 10712 1 17 . 1 1 76 76 GLY H H 111 8.006 8.006 8.445 -0.439 17579 10713 1 17 . 1 1 77 77 ALA N N 112 122.987 122.987 124.014 -1.027 17579 10714 1 17 . 1 1 77 77 ALA HA H 112 4.112 4.112 4.129 -0.017 17579 10715 1 17 . 1 1 77 77 ALA C C 112 179.350 179.350 179.555 -0.205 17579 10716 1 17 . 1 1 77 77 ALA CA C 112 53.930 53.930 54.584 -0.654 17579 10717 1 17 . 1 1 77 77 ALA CB C 112 18.727 18.727 18.332 0.395 17579 10718 1 17 . 1 1 77 77 ALA H H 112 7.824 7.824 7.994 -0.170 17579 10719 1 17 . 1 1 78 78 ALA N N 113 121.466 121.466 120.819 0.647 17579 10720 1 17 . 1 1 78 78 ALA HA H 113 4.189 4.189 3.934 0.255 17579 10721 1 17 . 1 1 78 78 ALA C C 113 177.368 177.368 179.111 -1.743 17579 10722 1 17 . 1 1 78 78 ALA CA C 113 53.750 53.750 54.937 -1.187 17579 10723 1 17 . 1 1 78 78 ALA CB C 113 19.231 19.231 18.842 0.389 17579 10724 1 17 . 1 1 78 78 ALA H H 113 7.785 7.785 8.314 -0.529 17579 10725 1 17 . 1 1 79 79 GLY N N 114 104.016 104.016 104.405 -0.389 17579 10726 1 17 . 1 1 79 79 GLY CA C 114 45.256 45.256 45.380 -0.124 17579 10727 1 17 . 1 1 79 79 GLY H H 114 7.742 7.742 8.158 -0.416 17579 10728 1 17 . 1 1 80 80 ALA HA H 115 4.100 4.100 4.568 -0.468 17579 10729 1 17 . 1 1 80 80 ALA C C 115 176.526 176.526 175.361 1.165 17579 10730 1 17 . 1 1 80 80 ALA CA C 115 53.482 53.482 51.769 1.713 17579 10731 1 17 . 1 1 80 80 ALA CB C 115 19.825 19.825 20.099 -0.274 17579 10732 1 17 . 1 1 81 81 THR N N 116 116.236 116.236 117.833 -1.597 17579 10733 1 17 . 1 1 81 81 THR HA H 116 4.718 4.718 4.057 0.661 17579 10734 1 17 . 1 1 81 81 THR CA C 116 57.275 57.275 63.001 -5.726 17579 10735 1 17 . 1 1 81 81 THR CB C 116 64.878 64.878 69.240 -4.362 17579 10736 1 17 . 1 1 81 81 THR H H 116 8.068 8.068 8.429 -0.361 17579 10737 1 17 . 1 1 84 84 PRO HA H 119 4.072 4.072 4.604 -0.532 17579 10738 1 17 . 1 1 84 84 PRO CB C 119 32.154 32.154 32.188 -0.034 17579 10739 1 17 . 1 1 85 85 THR N N 120 119.680 119.680 113.128 6.552 17579 10740 1 17 . 1 1 85 85 THR C C 120 175.333 175.333 173.854 1.479 17579 10741 1 17 . 1 1 85 85 THR CB C 120 71.769 71.769 71.165 0.604 17579 10742 1 17 . 1 1 85 85 THR H H 120 8.002 8.002 7.994 0.008 17579 10743 1 17 . 1 1 86 86 SER N N 121 115.589 115.589 117.246 -1.657 17579 10744 1 17 . 1 1 86 86 SER HA H 121 4.325 4.325 4.664 -0.339 17579 10745 1 17 . 1 1 86 86 SER C C 121 172.929 172.929 173.789 -0.860 17579 10746 1 17 . 1 1 86 86 SER CA C 121 59.722 59.722 58.762 0.960 17579 10747 1 17 . 1 1 86 86 SER CB C 121 64.608 64.608 64.559 0.049 17579 10748 1 17 . 1 1 86 86 SER H H 121 7.335 7.335 8.413 -1.078 17579 10749 1 17 . 1 1 87 87 VAL N N 122 116.044 116.044 119.447 -3.403 17579 10750 1 17 . 1 1 87 87 VAL HA H 122 5.200 5.200 4.646 0.554 17579 10751 1 17 . 1 1 87 87 VAL C C 122 172.465 172.465 173.925 -1.460 17579 10752 1 17 . 1 1 87 87 VAL CA C 122 59.819 59.819 60.923 -1.104 17579 10753 1 17 . 1 1 87 87 VAL CB C 122 33.368 33.368 31.999 1.369 17579 10754 1 17 . 1 1 87 87 VAL H H 122 7.152 7.152 7.480 -0.328 17579 10755 1 17 . 1 1 88 88 VAL N N 123 119.350 119.350 125.666 -6.316 17579 10756 1 17 . 1 1 88 88 VAL HA H 123 5.091 5.091 4.505 0.586 17579 10757 1 17 . 1 1 88 88 VAL C C 123 173.214 173.214 174.149 -0.935 17579 10758 1 17 . 1 1 88 88 VAL CA C 123 59.219 59.219 60.961 -1.742 17579 10759 1 17 . 1 1 88 88 VAL CB C 123 36.362 36.362 36.087 0.275 17579 10760 1 17 . 1 1 88 88 VAL H H 123 8.851 8.851 8.601 0.250 17579 10761 1 17 . 1 1 89 89 PHE N N 124 122.568 122.568 124.609 -2.041 17579 10762 1 17 . 1 1 89 89 PHE HA H 124 5.613 5.613 5.249 0.364 17579 10763 1 17 . 1 1 89 89 PHE C C 124 174.887 174.887 174.632 0.255 17579 10764 1 17 . 1 1 89 89 PHE CA C 124 52.961 52.961 56.348 -3.387 17579 10765 1 17 . 1 1 89 89 PHE CB C 124 42.788 42.788 43.175 -0.387 17579 10766 1 17 . 1 1 89 89 PHE H H 124 9.051 9.051 9.220 -0.169 17579 10767 1 17 . 1 1 90 90 ILE N N 125 127.707 127.707 126.389 1.318 17579 10768 1 17 . 1 1 90 90 ILE HA H 125 4.264 4.264 4.407 -0.143 17579 10769 1 17 . 1 1 90 90 ILE C C 125 173.870 173.870 175.823 -1.953 17579 10770 1 17 . 1 1 90 90 ILE CA C 125 61.789 61.789 59.600 2.189 17579 10771 1 17 . 1 1 90 90 ILE CB C 125 39.785 39.785 38.332 1.453 17579 10772 1 17 . 1 1 90 90 ILE H H 125 9.477 9.477 9.405 0.072 17579 10773 1 17 . 1 1 91 91 VAL N N 126 126.579 126.579 120.390 6.189 17579 10774 1 17 . 1 1 91 91 VAL HA H 126 4.566 4.566 4.835 -0.269 17579 10775 1 17 . 1 1 91 91 VAL C C 126 173.829 173.829 173.659 0.170 17579 10776 1 17 . 1 1 91 91 VAL CA C 126 58.701 58.701 58.871 -0.170 17579 10777 1 17 . 1 1 91 91 VAL CB C 126 32.989 32.989 32.819 0.170 17579 10778 1 17 . 1 1 91 91 VAL H H 126 8.149 8.149 8.968 -0.819 17579 10779 1 17 . 1 1 92 92 PRO HA H 127 4.035 4.035 4.660 -0.625 17579 10780 1 17 . 1 1 92 92 PRO C C 127 177.766 177.766 177.871 -0.105 17579 10781 1 17 . 1 1 92 92 PRO CA C 127 63.684 63.684 63.164 0.520 17579 10782 1 17 . 1 1 92 92 PRO CB C 127 32.178 32.178 32.295 -0.117 17579 10783 1 17 . 1 1 93 93 GLY N N 128 108.618 108.618 112.879 -4.261 17579 10784 1 17 . 1 1 93 93 GLY CA C 128 45.787 45.787 44.640 1.147 17579 10785 1 17 . 1 1 93 93 GLY H H 128 7.970 7.970 8.741 -0.771 17579 10786 1 17 . 1 1 94 94 SER N N 129 113.620 113.620 119.755 -6.135 17579 10787 1 17 . 1 1 94 94 SER HA H 129 4.317 4.317 3.970 0.347 17579 10788 1 17 . 1 1 94 94 SER C C 129 180.379 180.379 176.193 4.186 17579 10789 1 17 . 1 1 94 94 SER CA C 129 58.566 58.566 61.883 -3.317 17579 10790 1 17 . 1 1 94 94 SER H H 129 7.952 7.952 8.535 -0.583 17579 10791 1 17 . 1 1 95 95 ASN N N 130 120.775 120.775 119.609 1.166 17579 10792 1 17 . 1 1 95 95 ASN HA H 130 3.964 3.964 4.494 -0.530 17579 10793 1 17 . 1 1 95 95 ASN C C 130 178.664 178.664 176.861 1.803 17579 10794 1 17 . 1 1 95 95 ASN CA C 130 57.689 57.689 55.914 1.775 17579 10795 1 17 . 1 1 95 95 ASN CB C 130 42.288 42.288 38.582 3.706 17579 10796 1 17 . 1 1 95 95 ASN H H 130 8.300 8.300 8.507 -0.207 17579 10797 1 17 . 1 1 96 96 LYS N N 131 119.316 119.316 117.849 1.467 17579 10798 1 17 . 1 1 96 96 LYS HA H 131 4.095 4.095 4.349 -0.254 17579 10799 1 17 . 1 1 96 96 LYS C C 131 178.290 178.290 178.812 -0.522 17579 10800 1 17 . 1 1 96 96 LYS CA C 131 59.062 59.062 57.875 1.187 17579 10801 1 17 . 1 1 96 96 LYS CB C 131 29.745 29.745 32.868 -3.123 17579 10802 1 17 . 1 1 96 96 LYS H H 131 7.896 7.896 7.746 0.150 17579 10803 1 17 . 1 1 97 97 LYS N N 132 117.523 117.523 120.320 -2.797 17579 10804 1 17 . 1 1 97 97 LYS C C 132 176.927 176.927 178.740 -1.813 17579 10805 1 17 . 1 1 97 97 LYS CA C 132 58.555 58.555 58.115 0.440 17579 10806 1 17 . 1 1 97 97 LYS CB C 132 30.578 30.578 31.710 -1.132 17579 10807 1 17 . 1 1 97 97 LYS H H 132 7.791 7.791 8.702 -0.911 17579 10808 1 17 . 1 1 98 98 LYS HA H 133 4.236 4.236 4.243 -0.007 17579 10809 1 17 . 1 1 98 98 LYS C C 133 176.606 176.606 177.797 -1.191 17579 10810 1 17 . 1 1 98 98 LYS CA C 133 57.225 57.225 57.243 -0.019 17579 10811 1 17 . 1 1 98 98 LYS CB C 133 33.151 33.151 31.885 1.266 17579 10812 1 17 . 1 1 99 99 ASP N N 134 120.311 120.311 118.126 2.185 17579 10813 1 17 . 1 1 99 99 ASP HA H 134 4.584 4.584 4.531 0.053 17579 10814 1 17 . 1 1 99 99 ASP C C 134 176.899 176.899 176.803 0.096 17579 10815 1 17 . 1 1 99 99 ASP CA C 134 54.402 54.402 54.806 -0.404 17579 10816 1 17 . 1 1 99 99 ASP CB C 134 41.568 41.568 41.084 0.484 17579 10817 1 17 . 1 1 99 99 ASP H H 134 8.267 8.267 7.717 0.550 17579 10818 1 17 . 1 1 100 100 GLY N N 135 108.751 108.751 107.924 0.827 17579 10819 1 17 . 1 1 100 100 GLY C C 135 174.683 174.683 173.210 1.473 17579 10820 1 17 . 1 1 100 100 GLY CA C 135 45.985 45.985 45.448 0.537 17579 10821 1 17 . 1 1 100 100 GLY H H 135 8.235 8.235 7.615 0.620 17579 10822 1 17 . 1 1 101 101 LYS N N 136 120.306 120.306 122.874 -2.568 17579 10823 1 17 . 1 1 101 101 LYS HA H 136 4.279 4.279 4.515 -0.236 17579 10824 1 17 . 1 1 101 101 LYS C C 136 175.145 175.145 176.590 -1.445 17579 10825 1 17 . 1 1 101 101 LYS CA C 136 56.875 56.875 54.523 2.353 17579 10826 1 17 . 1 1 101 101 LYS CB C 136 32.987 32.987 34.598 -1.611 17579 10827 1 17 . 1 1 101 101 LYS H H 136 8.148 8.148 7.945 0.203 17579 10828 1 17 . 1 1 102 102 ASN N N 137 118.958 118.958 119.124 -0.166 17579 10829 1 17 . 1 1 102 102 ASN HA H 137 4.707 4.707 4.548 0.159 17579 10830 1 17 . 1 1 102 102 ASN C C 137 175.849 175.849 176.124 -0.275 17579 10831 1 17 . 1 1 102 102 ASN CA C 137 53.816 53.816 55.343 -1.526 17579 10832 1 17 . 1 1 102 102 ASN CB C 137 39.070 39.070 38.932 0.138 17579 10833 1 17 . 1 1 102 102 ASN H H 137 8.406 8.406 8.645 -0.239 17579 10834 1 17 . 1 1 103 103 LYS N N 138 121.782 121.782 119.794 1.988 17579 10835 1 17 . 1 1 103 103 LYS HA H 138 4.255 4.255 4.453 -0.198 17579 10836 1 17 . 1 1 103 103 LYS CA C 138 56.641 56.641 57.502 -0.861 17579 10837 1 17 . 1 1 103 103 LYS CB C 138 32.911 32.911 33.128 -0.217 17579 10838 1 17 . 1 1 103 103 LYS H H 138 8.316 8.316 7.980 0.336 17579 10839 1 17 . 1 1 104 104 GLU N N 139 121.053 121.053 119.223 1.830 17579 10840 1 17 . 1 1 104 104 GLU CA C 139 57.449 57.449 60.098 -2.649 17579 10841 1 17 . 1 1 104 104 GLU CB C 139 29.983 29.983 29.274 0.709 17579 10842 1 17 . 1 1 104 104 GLU H H 139 8.459 8.459 8.940 -0.481 17579 10843 1 17 . 1 1 106 106 GLU N N 141 122.191 122.191 119.568 2.623 17579 10844 1 17 . 1 1 106 106 GLU HA H 141 4.268 4.268 3.977 0.291 17579 10845 1 17 . 1 1 106 106 GLU CA C 141 64.025 64.025 59.442 4.583 17579 10846 1 17 . 1 1 106 106 GLU CB C 141 32.117 32.117 29.271 2.846 17579 10847 1 17 . 1 1 106 106 GLU H H 141 8.291 8.291 8.489 -0.198 17579 10848 1 17 . 1 1 107 107 TYR N N 142 115.802 115.802 121.285 -5.483 17579 10849 1 17 . 1 1 107 107 TYR HA H 142 4.996 4.996 3.994 1.002 17579 10850 1 17 . 1 1 107 107 TYR C C 142 175.381 175.381 177.200 -1.819 17579 10851 1 17 . 1 1 107 107 TYR CA C 142 57.581 57.581 61.565 -3.984 17579 10852 1 17 . 1 1 107 107 TYR CB C 142 39.533 39.533 38.255 1.278 17579 10853 1 17 . 1 1 107 107 TYR H H 142 7.344 7.344 8.971 -1.627 17579 10854 1 17 . 1 1 108 108 LYS N N 143 123.473 123.473 119.524 3.949 17579 10855 1 17 . 1 1 108 108 LYS HA H 143 3.628 3.628 3.455 0.173 17579 10856 1 17 . 1 1 108 108 LYS C C 143 177.659 177.659 178.275 -0.616 17579 10857 1 17 . 1 1 108 108 LYS CA C 143 59.988 59.988 60.116 -0.128 17579 10858 1 17 . 1 1 108 108 LYS CB C 143 32.294 32.294 32.137 0.157 17579 10859 1 17 . 1 1 108 108 LYS H H 143 7.376 7.376 8.138 -0.762 17579 10860 1 17 . 1 1 109 109 GLU N N 144 118.799 118.799 118.828 -0.029 17579 10861 1 17 . 1 1 109 109 GLU HA H 144 4.048 4.048 3.927 0.121 17579 10862 1 17 . 1 1 109 109 GLU C C 144 179.583 179.583 179.005 0.578 17579 10863 1 17 . 1 1 109 109 GLU CA C 144 60.200 60.200 59.719 0.481 17579 10864 1 17 . 1 1 109 109 GLU CB C 144 29.237 29.237 29.465 -0.228 17579 10865 1 17 . 1 1 109 109 GLU H H 144 8.558 8.558 8.073 0.485 17579 10866 1 17 . 1 1 110 110 SER N N 145 116.121 116.121 115.937 0.184 17579 10867 1 17 . 1 1 110 110 SER HA H 145 4.319 4.319 4.119 0.200 17579 10868 1 17 . 1 1 110 110 SER C C 145 176.522 176.522 176.689 -0.167 17579 10869 1 17 . 1 1 110 110 SER CA C 145 61.990 61.990 61.716 0.274 17579 10870 1 17 . 1 1 110 110 SER CB C 145 63.293 63.293 63.067 0.226 17579 10871 1 17 . 1 1 110 110 SER H H 145 8.094 8.094 8.029 0.065 17579 10872 1 17 . 1 1 111 111 PHE N N 146 122.311 122.311 123.167 -0.856 17579 10873 1 17 . 1 1 111 111 PHE HA H 146 4.021 4.021 4.051 -0.030 17579 10874 1 17 . 1 1 111 111 PHE C C 146 176.001 176.001 176.594 -0.593 17579 10875 1 17 . 1 1 111 111 PHE CA C 146 62.504 62.504 60.065 2.439 17579 10876 1 17 . 1 1 111 111 PHE CB C 146 39.861 39.861 38.693 1.168 17579 10877 1 17 . 1 1 111 111 PHE H H 146 8.536 8.536 8.482 0.054 17579 10878 1 17 . 1 1 112 112 ASN N N 147 117.908 117.908 116.793 1.115 17579 10879 1 17 . 1 1 112 112 ASN HA H 147 4.252 4.252 4.142 0.110 17579 10880 1 17 . 1 1 112 112 ASN C C 147 178.315 178.315 177.754 0.561 17579 10881 1 17 . 1 1 112 112 ASN CA C 147 56.226 56.226 56.802 -0.576 17579 10882 1 17 . 1 1 112 112 ASN CB C 147 37.990 37.990 38.073 -0.083 17579 10883 1 17 . 1 1 112 112 ASN H H 147 8.795 8.795 8.726 0.069 17579 10884 1 17 . 1 1 113 113 GLU N N 148 119.868 119.868 120.889 -1.021 17579 10885 1 17 . 1 1 113 113 GLU HA H 148 4.024 4.024 4.084 -0.060 17579 10886 1 17 . 1 1 113 113 GLU C C 148 179.410 179.410 178.731 0.679 17579 10887 1 17 . 1 1 113 113 GLU CA C 148 59.710 59.710 59.401 0.309 17579 10888 1 17 . 1 1 113 113 GLU CB C 148 30.063 30.063 29.617 0.446 17579 10889 1 17 . 1 1 113 113 GLU H H 148 7.764 7.764 7.969 -0.205 17579 10890 1 17 . 1 1 114 114 VAL N N 149 119.684 119.684 117.306 2.378 17579 10891 1 17 . 1 1 114 114 VAL HA H 149 3.544 3.544 3.746 -0.202 17579 10892 1 17 . 1 1 114 114 VAL C C 149 177.613 177.613 178.051 -0.438 17579 10893 1 17 . 1 1 114 114 VAL CA C 149 66.977 66.977 66.203 0.774 17579 10894 1 17 . 1 1 114 114 VAL CB C 149 30.605 30.605 31.532 -0.927 17579 10895 1 17 . 1 1 114 114 VAL H H 149 7.973 7.973 7.905 0.068 17579 10896 1 17 . 1 1 115 115 VAL N N 150 119.782 119.782 120.660 -0.878 17579 10897 1 17 . 1 1 115 115 VAL HA H 150 3.164 3.164 3.527 -0.363 17579 10898 1 17 . 1 1 115 115 VAL C C 150 177.499 177.499 178.175 -0.676 17579 10899 1 17 . 1 1 115 115 VAL CA C 150 68.301 68.301 66.331 1.970 17579 10900 1 17 . 1 1 115 115 VAL CB C 150 31.483 31.483 30.427 1.056 17579 10901 1 17 . 1 1 115 115 VAL H H 150 8.452 8.452 8.478 -0.026 17579 10902 1 17 . 1 1 116 116 LYS N N 151 118.842 118.842 120.217 -1.375 17579 10903 1 17 . 1 1 116 116 LYS HA H 151 4.024 4.024 4.026 -0.002 17579 10904 1 17 . 1 1 116 116 LYS C C 151 179.862 179.862 179.257 0.605 17579 10905 1 17 . 1 1 116 116 LYS CA C 151 59.947 59.947 59.407 0.540 17579 10906 1 17 . 1 1 116 116 LYS CB C 151 32.481 32.481 32.127 0.354 17579 10907 1 17 . 1 1 116 116 LYS H H 151 7.595 7.595 7.910 -0.315 17579 10908 1 17 . 1 1 117 117 GLU N N 152 120.243 120.243 119.462 0.781 17579 10909 1 17 . 1 1 117 117 GLU HA H 152 4.052 4.052 4.112 -0.060 17579 10910 1 17 . 1 1 117 117 GLU C C 152 179.528 179.528 179.061 0.467 17579 10911 1 17 . 1 1 117 117 GLU CA C 152 60.178 60.178 59.270 0.908 17579 10912 1 17 . 1 1 117 117 GLU CB C 152 29.949 29.949 29.576 0.373 17579 10913 1 17 . 1 1 117 117 GLU H H 152 7.513 7.513 8.028 -0.515 17579 10914 1 17 . 1 1 118 118 VAL N N 153 120.596 120.596 120.203 0.393 17579 10915 1 17 . 1 1 118 118 VAL HA H 153 3.464 3.464 3.758 -0.294 17579 10916 1 17 . 1 1 118 118 VAL C C 153 177.984 177.984 177.318 0.666 17579 10917 1 17 . 1 1 118 118 VAL CA C 153 68.047 68.047 65.172 2.875 17579 10918 1 17 . 1 1 118 118 VAL CB C 153 32.056 32.056 31.863 0.193 17579 10919 1 17 . 1 1 118 118 VAL H H 153 8.649 8.649 7.820 0.829 17579 10920 1 17 . 1 1 119 119 GLN N N 154 118.317 118.317 118.782 -0.465 17579 10921 1 17 . 1 1 119 119 GLN HA H 154 3.986 3.986 4.134 -0.148 17579 10922 1 17 . 1 1 119 119 GLN C C 154 178.984 178.984 176.723 2.261 17579 10923 1 17 . 1 1 119 119 GLN CA C 154 59.716 59.716 58.002 1.714 17579 10924 1 17 . 1 1 119 119 GLN CB C 154 28.261 28.261 29.280 -1.019 17579 10925 1 17 . 1 1 119 119 GLN H H 154 8.947 8.947 7.904 1.043 17579 10926 1 17 . 1 1 120 120 ALA N N 155 120.688 120.688 121.667 -0.979 17579 10927 1 17 . 1 1 120 120 ALA HA H 155 3.484 3.484 4.195 -0.711 17579 10928 1 17 . 1 1 120 120 ALA C C 155 180.759 180.759 178.048 2.711 17579 10929 1 17 . 1 1 120 120 ALA CA C 155 55.257 55.257 53.773 1.484 17579 10930 1 17 . 1 1 120 120 ALA CB C 155 18.446 18.446 19.373 -0.927 17579 10931 1 17 . 1 1 120 120 ALA H H 155 7.494 7.494 7.663 -0.169 17579 10932 1 18 . 1 1 2 2 LYS N N 37 124.936 124.936 122.626 2.310 17579 10933 1 18 . 1 1 2 2 LYS HA H 37 4.053 4.053 4.124 -0.071 17579 10934 1 18 . 1 1 2 2 LYS C C 37 172.929 172.929 177.976 -5.047 17579 10935 1 18 . 1 1 2 2 LYS CA C 37 60.975 60.975 58.760 2.215 17579 10936 1 18 . 1 1 2 2 LYS CB C 37 32.607 32.607 32.268 0.339 17579 10937 1 18 . 1 1 2 2 LYS H H 37 7.564 7.564 8.382 -0.818 17579 10938 1 18 . 1 1 3 3 LYS N N 38 118.300 118.300 118.306 -0.006 17579 10939 1 18 . 1 1 3 3 LYS HA H 38 4.045 4.045 4.028 0.017 17579 10940 1 18 . 1 1 3 3 LYS C C 38 179.361 179.361 178.362 0.999 17579 10941 1 18 . 1 1 3 3 LYS CA C 38 59.930 59.930 58.695 1.235 17579 10942 1 18 . 1 1 3 3 LYS CB C 38 32.885 32.885 31.711 1.174 17579 10943 1 18 . 1 1 3 3 LYS H H 38 8.234 8.234 8.293 -0.059 17579 10944 1 18 . 1 1 4 4 LEU N N 39 122.081 122.081 121.272 0.809 17579 10945 1 18 . 1 1 4 4 LEU HA H 39 4.135 4.135 3.932 0.203 17579 10946 1 18 . 1 1 4 4 LEU C C 39 178.433 178.433 177.918 0.515 17579 10947 1 18 . 1 1 4 4 LEU CA C 39 57.726 57.726 58.781 -1.055 17579 10948 1 18 . 1 1 4 4 LEU CB C 39 40.588 40.588 41.682 -1.094 17579 10949 1 18 . 1 1 4 4 LEU H H 39 7.856 7.856 7.656 0.200 17579 10950 1 18 . 1 1 5 5 ASN N N 40 118.758 118.758 116.507 2.251 17579 10951 1 18 . 1 1 5 5 ASN HA H 40 3.994 3.994 4.212 -0.218 17579 10952 1 18 . 1 1 5 5 ASN C C 40 176.246 176.246 177.282 -1.036 17579 10953 1 18 . 1 1 5 5 ASN CA C 40 57.843 57.843 56.364 1.479 17579 10954 1 18 . 1 1 5 5 ASN CB C 40 40.430 40.430 37.965 2.465 17579 10955 1 18 . 1 1 5 5 ASN H H 40 9.241 9.241 7.693 1.548 17579 10956 1 18 . 1 1 6 6 LYS N N 41 115.665 115.665 119.803 -4.138 17579 10957 1 18 . 1 1 6 6 LYS HA H 41 3.929 3.929 3.859 0.070 17579 10958 1 18 . 1 1 6 6 LYS C C 41 179.318 179.318 179.065 0.253 17579 10959 1 18 . 1 1 6 6 LYS CA C 41 60.130 60.130 59.446 0.684 17579 10960 1 18 . 1 1 6 6 LYS CB C 41 32.580 32.580 31.981 0.599 17579 10961 1 18 . 1 1 6 6 LYS H H 41 7.239 7.239 7.677 -0.438 17579 10962 1 18 . 1 1 7 7 LYS N N 42 119.038 119.038 119.290 -0.252 17579 10963 1 18 . 1 1 7 7 LYS HA H 42 4.037 4.037 4.001 0.036 17579 10964 1 18 . 1 1 7 7 LYS C C 42 180.428 180.428 179.066 1.362 17579 10965 1 18 . 1 1 7 7 LYS CA C 42 60.178 60.178 59.696 0.482 17579 10966 1 18 . 1 1 7 7 LYS CB C 42 33.670 33.670 32.485 1.185 17579 10967 1 18 . 1 1 7 7 LYS H H 42 7.358 7.358 7.869 -0.511 17579 10968 1 18 . 1 1 8 8 VAL N N 43 122.489 122.489 119.960 2.529 17579 10969 1 18 . 1 1 8 8 VAL HA H 43 3.263 3.263 3.771 -0.508 17579 10970 1 18 . 1 1 8 8 VAL C C 43 177.823 177.823 178.353 -0.530 17579 10971 1 18 . 1 1 8 8 VAL CA C 43 67.836 67.836 66.602 1.234 17579 10972 1 18 . 1 1 8 8 VAL CB C 43 31.523 31.523 31.258 0.265 17579 10973 1 18 . 1 1 8 8 VAL H H 43 9.167 9.167 8.025 1.142 17579 10974 1 18 . 1 1 9 9 LEU N N 44 119.740 119.740 119.834 -0.094 17579 10975 1 18 . 1 1 9 9 LEU HA H 44 3.964 3.964 3.742 0.222 17579 10976 1 18 . 1 1 9 9 LEU C C 44 179.700 179.700 179.184 0.516 17579 10977 1 18 . 1 1 9 9 LEU CA C 44 58.742 58.742 58.591 0.151 17579 10978 1 18 . 1 1 9 9 LEU CB C 44 41.239 41.239 40.910 0.329 17579 10979 1 18 . 1 1 9 9 LEU H H 44 8.437 8.437 8.774 -0.337 17579 10980 1 18 . 1 1 10 10 LYS N N 45 119.832 119.832 117.978 1.854 17579 10981 1 18 . 1 1 10 10 LYS HA H 45 4.013 4.013 3.956 0.057 17579 10982 1 18 . 1 1 10 10 LYS C C 45 178.847 178.847 179.438 -0.591 17579 10983 1 18 . 1 1 10 10 LYS CA C 45 60.146 60.146 59.566 0.580 17579 10984 1 18 . 1 1 10 10 LYS CB C 45 32.583 32.583 31.914 0.669 17579 10985 1 18 . 1 1 10 10 LYS H H 45 7.857 7.857 8.174 -0.317 17579 10986 1 18 . 1 1 11 11 THR N N 46 116.695 116.695 117.206 -0.511 17579 10987 1 18 . 1 1 11 11 THR HA H 46 4.327 4.327 4.119 0.208 17579 10988 1 18 . 1 1 11 11 THR C C 46 176.211 176.211 176.596 -0.385 17579 10989 1 18 . 1 1 11 11 THR CA C 46 68.237 68.237 66.561 1.676 17579 10990 1 18 . 1 1 11 11 THR CB C 46 68.312 68.312 68.960 -0.648 17579 10991 1 18 . 1 1 11 11 THR H H 46 7.796 7.796 8.052 -0.256 17579 10992 1 18 . 1 1 12 12 VAL N N 47 122.013 122.013 121.797 0.216 17579 10993 1 18 . 1 1 12 12 VAL HA H 47 3.235 3.235 3.573 -0.338 17579 10994 1 18 . 1 1 12 12 VAL C C 47 177.909 177.909 177.238 0.671 17579 10995 1 18 . 1 1 12 12 VAL CA C 47 67.838 67.838 65.546 2.292 17579 10996 1 18 . 1 1 12 12 VAL CB C 47 31.706 31.706 31.665 0.041 17579 10997 1 18 . 1 1 12 12 VAL H H 47 8.762 8.762 8.372 0.390 17579 10998 1 18 . 1 1 13 13 LYS N N 48 118.035 118.035 119.747 -1.712 17579 10999 1 18 . 1 1 13 13 LYS HA H 48 3.828 3.828 4.062 -0.234 17579 11000 1 18 . 1 1 13 13 LYS CA C 48 59.960 59.960 59.308 0.652 17579 11001 1 18 . 1 1 13 13 LYS CB C 48 32.837 32.837 32.184 0.652 17579 11002 1 18 . 1 1 13 13 LYS H H 48 7.492 7.492 8.314 -0.822 17579 11003 1 18 . 1 1 14 14 LYS N N 49 120.565 120.565 118.632 1.933 17579 11004 1 18 . 1 1 14 14 LYS HA H 49 3.952 3.952 4.009 -0.057 17579 11005 1 18 . 1 1 14 14 LYS C C 49 179.608 179.608 178.604 1.004 17579 11006 1 18 . 1 1 14 14 LYS CA C 49 59.950 59.950 58.955 0.995 17579 11007 1 18 . 1 1 14 14 LYS CB C 49 33.723 33.723 32.398 1.325 17579 11008 1 18 . 1 1 14 14 LYS H H 49 7.498 7.498 8.018 -0.520 17579 11009 1 18 . 1 1 15 15 ALA N N 50 122.192 122.192 119.884 2.308 17579 11010 1 18 . 1 1 15 15 ALA HA H 50 3.467 3.467 4.040 -0.573 17579 11011 1 18 . 1 1 15 15 ALA C C 50 179.970 179.970 178.892 1.078 17579 11012 1 18 . 1 1 15 15 ALA CA C 50 54.950 54.950 53.856 1.093 17579 11013 1 18 . 1 1 15 15 ALA CB C 50 19.270 19.270 18.284 0.986 17579 11014 1 18 . 1 1 15 15 ALA H H 50 8.529 8.529 7.758 0.771 17579 11015 1 18 . 1 1 16 16 SER N N 51 116.624 116.624 114.304 2.320 17579 11016 1 18 . 1 1 16 16 SER HA H 51 4.696 4.696 4.083 0.613 17579 11017 1 18 . 1 1 16 16 SER C C 51 178.705 178.705 176.352 2.353 17579 11018 1 18 . 1 1 16 16 SER CA C 51 62.206 62.206 61.478 0.728 17579 11019 1 18 . 1 1 16 16 SER CB C 51 62.918 62.918 63.005 -0.087 17579 11020 1 18 . 1 1 16 16 SER H H 51 8.542 8.542 7.947 0.595 17579 11021 1 18 . 1 1 17 17 LYS N N 52 124.866 124.866 119.386 5.480 17579 11022 1 18 . 1 1 17 17 LYS HA H 52 4.051 4.051 4.178 -0.127 17579 11023 1 18 . 1 1 17 17 LYS C C 52 177.563 177.563 176.947 0.616 17579 11024 1 18 . 1 1 17 17 LYS CA C 52 59.290 59.290 57.335 1.955 17579 11025 1 18 . 1 1 17 17 LYS CB C 52 32.104 32.104 32.561 -0.457 17579 11026 1 18 . 1 1 17 17 LYS H H 52 7.553 7.553 7.481 0.072 17579 11027 1 18 . 1 1 18 18 ALA N N 53 118.801 118.801 120.958 -2.157 17579 11028 1 18 . 1 1 18 18 ALA HA H 53 4.280 4.280 4.407 -0.127 17579 11029 1 18 . 1 1 18 18 ALA C C 53 175.253 175.253 176.620 -1.367 17579 11030 1 18 . 1 1 18 18 ALA CA C 53 52.222 52.222 51.529 0.693 17579 11031 1 18 . 1 1 18 18 ALA CB C 53 19.566 19.566 18.942 0.624 17579 11032 1 18 . 1 1 18 18 ALA H H 53 7.092 7.092 7.542 -0.450 17579 11033 1 18 . 1 1 19 19 LYS N N 54 112.119 112.119 116.504 -4.385 17579 11034 1 18 . 1 1 19 19 LYS HA H 54 4.027 4.027 3.907 0.120 17579 11035 1 18 . 1 1 19 19 LYS C C 54 177.191 177.191 176.057 1.134 17579 11036 1 18 . 1 1 19 19 LYS CA C 54 57.435 57.435 57.589 -0.154 17579 11037 1 18 . 1 1 19 19 LYS CB C 54 28.420 28.420 30.283 -1.863 17579 11038 1 18 . 1 1 19 19 LYS H H 54 7.644 7.644 7.564 0.080 17579 11039 1 18 . 1 1 20 20 ASN N N 55 116.236 116.236 114.362 1.874 17579 11040 1 18 . 1 1 20 20 ASN HA H 55 5.090 5.090 4.683 0.407 17579 11041 1 18 . 1 1 20 20 ASN C C 55 173.176 173.176 174.440 -1.264 17579 11042 1 18 . 1 1 20 20 ASN CA C 55 51.617 51.617 54.647 -3.030 17579 11043 1 18 . 1 1 20 20 ASN CB C 55 40.642 40.642 40.442 0.200 17579 11044 1 18 . 1 1 20 20 ASN H H 55 8.099 8.099 7.831 0.268 17579 11045 1 18 . 1 1 21 21 VAL N N 56 115.268 115.268 115.473 -0.205 17579 11046 1 18 . 1 1 21 21 VAL HA H 56 4.864 4.864 4.281 0.583 17579 11047 1 18 . 1 1 21 21 VAL C C 56 175.526 175.526 174.626 0.900 17579 11048 1 18 . 1 1 21 21 VAL CA C 56 61.314 61.314 61.016 0.298 17579 11049 1 18 . 1 1 21 21 VAL CB C 56 35.532 35.532 33.197 2.335 17579 11050 1 18 . 1 1 21 21 VAL H H 56 7.621 7.621 7.423 0.198 17579 11051 1 18 . 1 1 22 22 LYS N N 57 126.903 126.903 127.704 -0.801 17579 11052 1 18 . 1 1 22 22 LYS HA H 57 4.682 4.682 4.742 -0.060 17579 11053 1 18 . 1 1 22 22 LYS C C 57 175.564 175.564 175.328 0.236 17579 11054 1 18 . 1 1 22 22 LYS CA C 57 54.694 54.694 54.157 0.537 17579 11055 1 18 . 1 1 22 22 LYS CB C 57 33.975 33.975 33.456 0.519 17579 11056 1 18 . 1 1 22 22 LYS H H 57 9.006 9.006 8.376 0.630 17579 11057 1 18 . 1 1 23 23 ARG N N 58 122.053 122.053 123.904 -1.851 17579 11058 1 18 . 1 1 23 23 ARG HA H 58 4.850 4.850 4.424 0.426 17579 11059 1 18 . 1 1 23 23 ARG C C 58 176.136 176.136 176.503 -0.367 17579 11060 1 18 . 1 1 23 23 ARG CA C 58 56.100 56.100 55.499 0.601 17579 11061 1 18 . 1 1 23 23 ARG CB C 58 33.752 33.752 31.069 2.683 17579 11062 1 18 . 1 1 23 23 ARG H H 58 8.994 8.994 8.897 0.097 17579 11063 1 18 . 1 1 24 24 GLY N N 59 110.836 110.836 112.196 -1.360 17579 11064 1 18 . 1 1 24 24 GLY C C 59 173.053 173.053 173.657 -0.604 17579 11065 1 18 . 1 1 24 24 GLY CA C 59 45.028 45.028 44.296 0.732 17579 11066 1 18 . 1 1 24 24 GLY H H 59 8.205 8.205 8.412 -0.207 17579 11067 1 18 . 1 1 25 25 VAL N N 60 119.573 119.573 122.088 -2.515 17579 11068 1 18 . 1 1 25 25 VAL HA H 60 4.117 4.117 3.653 0.464 17579 11069 1 18 . 1 1 25 25 VAL C C 60 176.366 176.366 176.677 -0.311 17579 11070 1 18 . 1 1 25 25 VAL CA C 60 67.542 67.542 65.388 2.155 17579 11071 1 18 . 1 1 25 25 VAL CB C 60 32.147 32.147 32.120 0.027 17579 11072 1 18 . 1 1 25 25 VAL H H 60 8.219 8.219 8.562 -0.343 17579 11073 1 18 . 1 1 26 26 LYS N N 61 117.987 117.987 118.967 -0.980 17579 11074 1 18 . 1 1 26 26 LYS HA H 61 3.896 3.896 3.946 -0.050 17579 11075 1 18 . 1 1 26 26 LYS C C 61 180.230 180.230 178.356 1.874 17579 11076 1 18 . 1 1 26 26 LYS CA C 61 60.492 60.492 60.323 0.169 17579 11077 1 18 . 1 1 26 26 LYS CB C 61 32.356 32.356 32.139 0.217 17579 11078 1 18 . 1 1 26 26 LYS H H 61 8.112 8.112 8.334 -0.222 17579 11079 1 18 . 1 1 27 27 GLU N N 62 117.610 117.610 118.479 -0.869 17579 11080 1 18 . 1 1 27 27 GLU HA H 62 3.937 3.937 4.051 -0.114 17579 11081 1 18 . 1 1 27 27 GLU C C 62 180.103 180.103 179.192 0.911 17579 11082 1 18 . 1 1 27 27 GLU CA C 62 59.119 59.119 59.480 -0.361 17579 11083 1 18 . 1 1 27 27 GLU CB C 62 30.052 30.052 28.819 1.233 17579 11084 1 18 . 1 1 27 27 GLU H H 62 8.493 8.493 8.338 0.155 17579 11085 1 18 . 1 1 28 28 VAL N N 63 120.585 120.585 121.015 -0.430 17579 11086 1 18 . 1 1 28 28 VAL HA H 63 3.478 3.478 3.953 -0.475 17579 11087 1 18 . 1 1 28 28 VAL C C 63 176.970 176.970 177.668 -0.698 17579 11088 1 18 . 1 1 28 28 VAL CA C 63 68.197 68.197 67.053 1.144 17579 11089 1 18 . 1 1 28 28 VAL CB C 63 31.632 31.632 31.811 -0.180 17579 11090 1 18 . 1 1 28 28 VAL H H 63 8.241 8.241 7.896 0.345 17579 11091 1 18 . 1 1 29 29 VAL N N 64 118.622 118.622 119.398 -0.776 17579 11092 1 18 . 1 1 29 29 VAL HA H 64 3.333 3.333 3.507 -0.174 17579 11093 1 18 . 1 1 29 29 VAL C C 64 177.709 177.709 177.644 0.065 17579 11094 1 18 . 1 1 29 29 VAL CA C 64 67.751 67.751 66.490 1.261 17579 11095 1 18 . 1 1 29 29 VAL CB C 64 31.553 31.553 31.523 0.030 17579 11096 1 18 . 1 1 29 29 VAL H H 64 8.510 8.510 8.039 0.471 17579 11097 1 18 . 1 1 30 30 LYS N N 65 118.138 118.138 119.392 -1.254 17579 11098 1 18 . 1 1 30 30 LYS HA H 65 3.855 3.855 3.966 -0.111 17579 11099 1 18 . 1 1 30 30 LYS C C 65 178.693 178.693 178.689 0.004 17579 11100 1 18 . 1 1 30 30 LYS CA C 65 59.986 59.986 59.710 0.276 17579 11101 1 18 . 1 1 30 30 LYS CB C 65 32.800 32.800 32.157 0.643 17579 11102 1 18 . 1 1 30 30 LYS H H 65 7.533 7.533 8.081 -0.548 17579 11103 1 18 . 1 1 31 31 ALA N N 66 120.585 120.585 122.009 -1.424 17579 11104 1 18 . 1 1 31 31 ALA HA H 66 4.049 4.049 4.121 -0.072 17579 11105 1 18 . 1 1 31 31 ALA C C 66 179.745 179.745 178.951 0.794 17579 11106 1 18 . 1 1 31 31 ALA CA C 66 55.288 55.288 54.533 0.755 17579 11107 1 18 . 1 1 31 31 ALA CB C 66 19.207 19.207 18.304 0.903 17579 11108 1 18 . 1 1 31 31 ALA H H 66 7.489 7.489 7.946 -0.457 17579 11109 1 18 . 1 1 32 32 LEU N N 67 119.402 119.402 115.870 3.532 17579 11110 1 18 . 1 1 32 32 LEU HA H 67 3.976 3.976 4.165 -0.189 17579 11111 1 18 . 1 1 32 32 LEU C C 67 180.917 180.917 178.290 2.627 17579 11112 1 18 . 1 1 32 32 LEU CA C 67 58.115 58.115 56.954 1.161 17579 11113 1 18 . 1 1 32 32 LEU CB C 67 42.554 42.554 41.853 0.701 17579 11114 1 18 . 1 1 32 32 LEU H H 67 8.332 8.332 7.593 0.739 17579 11115 1 18 . 1 1 33 33 ARG N N 68 116.408 116.408 119.098 -2.690 17579 11116 1 18 . 1 1 33 33 ARG HA H 68 3.787 3.787 4.124 -0.337 17579 11117 1 18 . 1 1 33 33 ARG C C 68 178.472 178.472 178.014 0.458 17579 11118 1 18 . 1 1 33 33 ARG CA C 68 59.581 59.581 58.377 1.204 17579 11119 1 18 . 1 1 33 33 ARG CB C 68 29.946 29.946 30.593 -0.647 17579 11120 1 18 . 1 1 33 33 ARG H H 68 8.147 8.147 8.054 0.093 17579 11121 1 18 . 1 1 34 34 LYS N N 69 117.866 117.866 117.309 0.557 17579 11122 1 18 . 1 1 34 34 LYS HA H 69 4.232 4.232 4.201 0.031 17579 11123 1 18 . 1 1 34 34 LYS C C 69 177.005 177.005 176.933 0.072 17579 11124 1 18 . 1 1 34 34 LYS CA C 69 56.788 56.788 57.075 -0.287 17579 11125 1 18 . 1 1 34 34 LYS CB C 69 33.008 33.008 32.542 0.466 17579 11126 1 18 . 1 1 34 34 LYS H H 69 7.606 7.606 8.184 -0.578 17579 11127 1 18 . 1 1 35 35 GLY N N 70 106.799 106.799 104.553 2.246 17579 11128 1 18 . 1 1 35 35 GLY C C 70 175.547 175.547 174.445 1.102 17579 11129 1 18 . 1 1 35 35 GLY CA C 70 45.969 45.969 44.963 1.006 17579 11130 1 18 . 1 1 35 35 GLY H H 70 7.678 7.678 7.755 -0.077 17579 11131 1 18 . 1 1 36 36 GLU N N 71 119.492 119.492 122.638 -3.146 17579 11132 1 18 . 1 1 36 36 GLU HA H 71 4.199 4.199 4.298 -0.099 17579 11133 1 18 . 1 1 36 36 GLU C C 71 175.625 175.625 175.332 0.293 17579 11134 1 18 . 1 1 36 36 GLU CA C 71 57.696 57.696 55.619 2.077 17579 11135 1 18 . 1 1 36 36 GLU CB C 71 29.620 29.620 28.515 1.105 17579 11136 1 18 . 1 1 36 36 GLU H H 71 7.686 7.686 8.521 -0.835 17579 11137 1 18 . 1 1 37 37 LYS N N 72 118.433 118.433 121.018 -2.585 17579 11138 1 18 . 1 1 37 37 LYS HA H 72 4.863 4.863 4.475 0.388 17579 11139 1 18 . 1 1 37 37 LYS C C 72 175.983 175.983 176.117 -0.134 17579 11140 1 18 . 1 1 37 37 LYS CA C 72 54.299 54.299 54.316 -0.017 17579 11141 1 18 . 1 1 37 37 LYS CB C 72 35.140 35.140 33.844 1.296 17579 11142 1 18 . 1 1 37 37 LYS H H 72 8.202 8.202 7.637 0.565 17579 11143 1 18 . 1 1 38 38 GLY N N 73 104.719 104.719 107.548 -2.829 17579 11144 1 18 . 1 1 38 38 GLY C C 73 172.071 172.071 173.216 -1.145 17579 11145 1 18 . 1 1 38 38 GLY CA C 73 46.798 46.798 45.878 0.920 17579 11146 1 18 . 1 1 38 38 GLY H H 73 7.214 7.214 8.895 -1.681 17579 11147 1 18 . 1 1 39 39 LEU N N 74 125.471 125.471 123.061 2.410 17579 11148 1 18 . 1 1 39 39 LEU HA H 74 4.992 4.992 4.956 0.036 17579 11149 1 18 . 1 1 39 39 LEU C C 74 174.651 174.651 174.547 0.104 17579 11150 1 18 . 1 1 39 39 LEU CA C 74 54.686 54.686 55.058 -0.372 17579 11151 1 18 . 1 1 39 39 LEU CB C 74 47.360 47.360 46.002 1.358 17579 11152 1 18 . 1 1 39 39 LEU H H 74 8.930 8.930 8.104 0.826 17579 11153 1 18 . 1 1 40 40 VAL N N 75 130.975 130.975 127.383 3.592 17579 11154 1 18 . 1 1 40 40 VAL HA H 75 4.649 4.649 3.881 0.768 17579 11155 1 18 . 1 1 40 40 VAL C C 75 173.868 173.868 175.460 -1.592 17579 11156 1 18 . 1 1 40 40 VAL CA C 75 62.513 62.513 61.839 0.674 17579 11157 1 18 . 1 1 40 40 VAL CB C 75 32.856 32.856 31.114 1.742 17579 11158 1 18 . 1 1 40 40 VAL H H 75 8.549 8.549 8.838 -0.289 17579 11159 1 18 . 1 1 41 41 VAL N N 76 127.452 127.452 128.992 -1.540 17579 11160 1 18 . 1 1 41 41 VAL HA H 76 4.645 4.645 4.642 0.003 17579 11161 1 18 . 1 1 41 41 VAL C C 76 173.931 173.931 175.519 -1.588 17579 11162 1 18 . 1 1 41 41 VAL CA C 76 61.015 61.015 62.395 -1.381 17579 11163 1 18 . 1 1 41 41 VAL CB C 76 33.844 33.844 31.650 2.194 17579 11164 1 18 . 1 1 41 41 VAL H H 76 8.754 8.754 8.854 -0.100 17579 11165 1 18 . 1 1 42 42 ILE N N 77 126.301 126.301 127.407 -1.106 17579 11166 1 18 . 1 1 42 42 ILE HA H 77 4.455 4.455 4.879 -0.424 17579 11167 1 18 . 1 1 42 42 ILE C C 77 174.965 174.965 175.044 -0.079 17579 11168 1 18 . 1 1 42 42 ILE CA C 77 59.842 59.842 57.697 2.145 17579 11169 1 18 . 1 1 42 42 ILE CB C 77 40.257 40.257 41.263 -1.006 17579 11170 1 18 . 1 1 42 42 ILE H H 77 8.530 8.530 8.988 -0.458 17579 11171 1 18 . 1 1 43 43 ALA N N 78 128.716 128.716 126.166 2.550 17579 11172 1 18 . 1 1 43 43 ALA HA H 78 4.469 4.469 4.704 -0.235 17579 11173 1 18 . 1 1 43 43 ALA C C 78 177.979 177.979 177.918 0.061 17579 11174 1 18 . 1 1 43 43 ALA CA C 78 52.398 52.398 51.706 0.692 17579 11175 1 18 . 1 1 43 43 ALA CB C 78 19.600 19.600 19.292 0.308 17579 11176 1 18 . 1 1 43 43 ALA H H 78 8.538 8.538 8.137 0.401 17579 11177 1 18 . 1 1 44 44 GLY N N 79 104.343 104.343 109.613 -5.270 17579 11178 1 18 . 1 1 44 44 GLY C C 79 173.472 173.472 174.523 -1.051 17579 11179 1 18 . 1 1 44 44 GLY CA C 79 46.239 46.239 46.273 -0.034 17579 11180 1 18 . 1 1 44 44 GLY H H 79 9.090 9.090 8.306 0.784 17579 11181 1 18 . 1 1 45 45 ASP N N 80 118.154 118.154 116.936 1.218 17579 11182 1 18 . 1 1 45 45 ASP HA H 80 4.855 4.855 4.740 0.115 17579 11183 1 18 . 1 1 45 45 ASP C C 80 176.500 176.500 175.899 0.601 17579 11184 1 18 . 1 1 45 45 ASP CA C 80 52.804 52.804 54.032 -1.228 17579 11185 1 18 . 1 1 45 45 ASP CB C 80 39.410 39.410 41.716 -2.306 17579 11186 1 18 . 1 1 45 45 ASP H H 80 8.603 8.603 8.034 0.569 17579 11187 1 18 . 1 1 46 46 ILE N N 81 118.477 118.477 117.779 0.698 17579 11188 1 18 . 1 1 46 46 ILE HA H 81 4.073 4.073 4.252 -0.179 17579 11189 1 18 . 1 1 46 46 ILE C C 81 173.822 173.822 174.563 -0.741 17579 11190 1 18 . 1 1 46 46 ILE CA C 81 59.882 59.882 60.820 -0.938 17579 11191 1 18 . 1 1 46 46 ILE CB C 81 39.136 39.136 39.036 0.100 17579 11192 1 18 . 1 1 46 46 ILE H H 81 6.846 6.846 7.573 -0.727 17579 11193 1 18 . 1 1 47 47 SER N N 82 117.552 117.552 116.626 0.926 17579 11194 1 18 . 1 1 47 47 SER HA H 82 4.628 4.628 4.886 -0.258 17579 11195 1 18 . 1 1 47 47 SER C C 82 176.920 176.920 173.238 3.682 17579 11196 1 18 . 1 1 47 47 SER CA C 82 55.444 55.444 55.723 -0.279 17579 11197 1 18 . 1 1 47 47 SER CB C 82 65.268 65.268 65.019 0.249 17579 11198 1 18 . 1 1 47 47 SER H H 82 7.774 7.774 7.807 -0.033 17579 11199 1 18 . 1 1 48 48 PRO HA H 83 4.259 4.259 4.643 -0.384 17579 11200 1 18 . 1 1 48 48 PRO CA C 83 62.312 62.312 62.670 -0.358 17579 11201 1 18 . 1 1 48 48 PRO CB C 83 30.564 30.564 32.169 -1.605 17579 11202 1 18 . 1 1 49 49 ALA N N 84 122.207 122.207 120.359 1.848 17579 11203 1 18 . 1 1 49 49 ALA HA H 84 3.978 3.978 4.254 -0.276 17579 11204 1 18 . 1 1 49 49 ALA C C 84 178.699 178.699 179.249 -0.550 17579 11205 1 18 . 1 1 49 49 ALA CA C 84 54.704 54.704 54.057 0.647 17579 11206 1 18 . 1 1 49 49 ALA CB C 84 19.393 19.393 19.001 0.392 17579 11207 1 18 . 1 1 49 49 ALA H H 84 8.091 8.091 8.297 -0.206 17579 11208 1 18 . 1 1 50 50 ASP N N 85 113.440 113.440 119.091 -5.651 17579 11209 1 18 . 1 1 50 50 ASP HA H 85 4.338 4.338 4.427 -0.089 17579 11210 1 18 . 1 1 50 50 ASP C C 85 177.723 177.723 177.868 -0.145 17579 11211 1 18 . 1 1 50 50 ASP CA C 85 56.203 56.203 57.099 -0.896 17579 11212 1 18 . 1 1 50 50 ASP CB C 85 40.562 40.562 40.114 0.448 17579 11213 1 18 . 1 1 50 50 ASP H H 85 8.148 8.148 8.684 -0.536 17579 11214 1 18 . 1 1 51 51 VAL N N 86 116.604 116.604 119.544 -2.940 17579 11215 1 18 . 1 1 51 51 VAL HA H 86 3.925 3.925 3.928 -0.003 17579 11216 1 18 . 1 1 51 51 VAL C C 86 176.966 176.966 177.744 -0.778 17579 11217 1 18 . 1 1 51 51 VAL CA C 86 65.241 65.241 65.202 0.039 17579 11218 1 18 . 1 1 51 51 VAL CB C 86 32.467 32.467 31.610 0.857 17579 11219 1 18 . 1 1 51 51 VAL H H 86 7.538 7.538 8.083 -0.545 17579 11220 1 18 . 1 1 52 52 ILE N N 87 108.211 108.211 117.638 -9.427 17579 11221 1 18 . 1 1 52 52 ILE HA H 87 4.565 4.565 3.730 0.835 17579 11222 1 18 . 1 1 52 52 ILE C C 87 178.116 178.116 176.999 1.117 17579 11223 1 18 . 1 1 52 52 ILE CA C 87 60.165 60.165 63.616 -3.451 17579 11224 1 18 . 1 1 52 52 ILE CB C 87 41.048 41.048 37.201 3.847 17579 11225 1 18 . 1 1 52 52 ILE H H 87 7.283 7.283 7.625 -0.342 17579 11226 1 18 . 1 1 53 53 SER N N 88 116.088 116.088 115.985 0.103 17579 11227 1 18 . 1 1 53 53 SER HA H 88 4.538 4.538 4.333 0.205 17579 11228 1 18 . 1 1 53 53 SER CA C 88 61.852 61.852 61.276 0.576 17579 11229 1 18 . 1 1 53 53 SER CB C 88 62.604 62.604 64.014 -1.411 17579 11230 1 18 . 1 1 53 53 SER H H 88 7.845 7.845 7.948 -0.103 17579 11231 1 18 . 1 1 54 54 HIS N N 89 121.004 121.004 120.569 0.435 17579 11232 1 18 . 1 1 54 54 HIS HA H 89 4.590 4.590 4.576 0.014 17579 11233 1 18 . 1 1 54 54 HIS C C 89 176.530 176.530 176.779 -0.249 17579 11234 1 18 . 1 1 54 54 HIS CA C 89 56.554 56.554 58.357 -1.803 17579 11235 1 18 . 1 1 54 54 HIS CB C 89 33.261 33.261 30.078 3.183 17579 11236 1 18 . 1 1 54 54 HIS H H 89 8.450 8.450 8.047 0.403 17579 11237 1 18 . 1 1 55 55 ILE N N 90 123.909 123.909 122.811 1.098 17579 11238 1 18 . 1 1 55 55 ILE HA H 90 4.583 4.583 3.192 1.391 17579 11239 1 18 . 1 1 55 55 ILE CA C 90 62.230 62.230 66.909 -4.678 17579 11240 1 18 . 1 1 55 55 ILE CB C 90 42.418 42.418 35.457 6.961 17579 11241 1 18 . 1 1 55 55 ILE H H 90 8.142 8.142 8.068 0.074 17579 11242 1 18 . 1 1 56 56 PRO HA H 91 2.974 2.974 4.322 -1.348 17579 11243 1 18 . 1 1 56 56 PRO C C 91 177.132 177.132 178.546 -1.414 17579 11244 1 18 . 1 1 56 56 PRO CA C 91 66.917 66.917 65.815 1.102 17579 11245 1 18 . 1 1 56 56 PRO CB C 91 31.519 31.519 31.035 0.484 17579 11246 1 18 . 1 1 57 57 VAL N N 92 114.761 114.761 119.256 -4.495 17579 11247 1 18 . 1 1 57 57 VAL HA H 92 3.570 3.570 3.749 -0.179 17579 11248 1 18 . 1 1 57 57 VAL C C 92 177.995 177.995 178.180 -0.185 17579 11249 1 18 . 1 1 57 57 VAL CA C 92 66.358 66.358 66.475 -0.117 17579 11250 1 18 . 1 1 57 57 VAL CB C 92 31.694 31.694 31.436 0.258 17579 11251 1 18 . 1 1 57 57 VAL H H 92 6.505 6.505 7.199 -0.694 17579 11252 1 18 . 1 1 58 58 LEU N N 93 120.572 120.572 118.804 1.768 17579 11253 1 18 . 1 1 58 58 LEU HA H 93 4.200 4.200 4.233 -0.033 17579 11254 1 18 . 1 1 58 58 LEU C C 93 180.452 180.452 178.573 1.879 17579 11255 1 18 . 1 1 58 58 LEU CA C 93 57.938 57.938 58.560 -0.622 17579 11256 1 18 . 1 1 58 58 LEU CB C 93 43.394 43.394 41.349 2.045 17579 11257 1 18 . 1 1 58 58 LEU H H 93 7.432 7.432 8.560 -1.128 17579 11258 1 18 . 1 1 59 59 CYS N N 94 117.330 117.330 118.763 -1.433 17579 11259 1 18 . 1 1 59 59 CYS HA H 94 3.827 3.827 4.248 -0.421 17579 11260 1 18 . 1 1 59 59 CYS C C 94 177.986 177.986 176.923 1.063 17579 11261 1 18 . 1 1 59 59 CYS CA C 94 65.483 65.483 62.205 3.278 17579 11262 1 18 . 1 1 59 59 CYS CB C 94 26.552 26.552 26.808 -0.256 17579 11263 1 18 . 1 1 59 59 CYS H H 94 8.423 8.423 8.142 0.281 17579 11264 1 18 . 1 1 60 60 GLU N N 95 120.766 120.766 118.973 1.793 17579 11265 1 18 . 1 1 60 60 GLU HA H 95 3.512 3.512 4.219 -0.707 17579 11266 1 18 . 1 1 60 60 GLU C C 95 180.736 180.736 177.459 3.277 17579 11267 1 18 . 1 1 60 60 GLU CA C 95 59.909 59.909 58.271 1.638 17579 11268 1 18 . 1 1 60 60 GLU CB C 95 29.108 29.108 29.629 -0.521 17579 11269 1 18 . 1 1 60 60 GLU H H 95 8.237 8.237 8.031 0.206 17579 11270 1 18 . 1 1 61 61 ASP N N 96 120.591 120.591 119.618 0.973 17579 11271 1 18 . 1 1 61 61 ASP HA H 96 4.311 4.311 4.538 -0.227 17579 11272 1 18 . 1 1 61 61 ASP C C 96 178.004 178.004 177.194 0.810 17579 11273 1 18 . 1 1 61 61 ASP CA C 96 57.549 57.549 56.200 1.349 17579 11274 1 18 . 1 1 61 61 ASP CB C 96 41.083 41.083 41.447 -0.364 17579 11275 1 18 . 1 1 61 61 ASP H H 96 8.345 8.345 7.914 0.431 17579 11276 1 18 . 1 1 62 62 HIS N N 97 115.844 115.844 115.628 0.216 17579 11277 1 18 . 1 1 62 62 HIS HA H 97 4.575 4.575 4.819 -0.244 17579 11278 1 18 . 1 1 62 62 HIS C C 97 173.728 173.728 174.706 -0.978 17579 11279 1 18 . 1 1 62 62 HIS CA C 97 57.418 57.418 55.542 1.876 17579 11280 1 18 . 1 1 62 62 HIS CB C 97 30.067 30.067 32.835 -2.768 17579 11281 1 18 . 1 1 62 62 HIS H H 97 7.663 7.663 8.155 -0.492 17579 11282 1 18 . 1 1 63 63 SER N N 98 114.813 114.813 115.013 -0.200 17579 11283 1 18 . 1 1 63 63 SER HA H 98 4.097 4.097 4.155 -0.058 17579 11284 1 18 . 1 1 63 63 SER C C 98 173.789 173.789 173.272 0.517 17579 11285 1 18 . 1 1 63 63 SER CA C 98 59.255 59.255 59.113 0.142 17579 11286 1 18 . 1 1 63 63 SER CB C 98 61.602 61.602 61.871 -0.269 17579 11287 1 18 . 1 1 63 63 SER H H 98 7.861 7.861 7.919 -0.058 17579 11288 1 18 . 1 1 64 64 VAL N N 99 123.227 123.227 123.518 -0.291 17579 11289 1 18 . 1 1 64 64 VAL HA H 99 4.157 4.157 4.468 -0.311 17579 11290 1 18 . 1 1 64 64 VAL C C 99 174.345 174.345 174.558 -0.213 17579 11291 1 18 . 1 1 64 64 VAL CA C 99 58.923 58.923 58.861 0.062 17579 11292 1 18 . 1 1 64 64 VAL CB C 99 35.133 35.133 35.099 0.034 17579 11293 1 18 . 1 1 64 64 VAL H H 99 8.603 8.603 7.928 0.675 17579 11294 1 18 . 1 1 65 65 PRO HA H 100 4.260 4.260 4.490 -0.231 17579 11295 1 18 . 1 1 65 65 PRO C C 100 173.335 173.335 175.166 -1.831 17579 11296 1 18 . 1 1 65 65 PRO CA C 100 63.165 63.165 63.050 0.115 17579 11297 1 18 . 1 1 65 65 PRO CB C 100 32.083 32.083 29.896 2.187 17579 11298 1 18 . 1 1 66 66 TYR N N 101 114.840 114.840 124.394 -9.554 17579 11299 1 18 . 1 1 66 66 TYR HA H 101 5.900 5.900 4.782 1.118 17579 11300 1 18 . 1 1 66 66 TYR C C 101 170.503 170.503 173.529 -3.026 17579 11301 1 18 . 1 1 66 66 TYR CA C 101 53.986 53.986 55.968 -1.982 17579 11302 1 18 . 1 1 66 66 TYR CB C 101 41.998 41.998 40.729 1.269 17579 11303 1 18 . 1 1 66 66 TYR H H 101 6.219 6.219 7.952 -1.733 17579 11304 1 18 . 1 1 67 67 ILE N N 102 112.118 112.118 125.502 -13.384 17579 11305 1 18 . 1 1 67 67 ILE HA H 102 4.488 4.488 4.181 0.307 17579 11306 1 18 . 1 1 67 67 ILE C C 102 171.963 171.963 173.362 -1.399 17579 11307 1 18 . 1 1 67 67 ILE CA C 102 55.343 55.343 58.693 -3.350 17579 11308 1 18 . 1 1 67 67 ILE CB C 102 43.317 43.317 41.898 1.419 17579 11309 1 18 . 1 1 67 67 ILE H H 102 7.954 7.954 8.742 -0.788 17579 11310 1 18 . 1 1 68 68 PHE N N 103 122.272 122.272 124.278 -2.006 17579 11311 1 18 . 1 1 68 68 PHE HA H 103 5.945 5.945 5.421 0.524 17579 11312 1 18 . 1 1 68 68 PHE C C 103 176.374 176.374 173.936 2.438 17579 11313 1 18 . 1 1 68 68 PHE CA C 103 56.520 56.520 54.794 1.726 17579 11314 1 18 . 1 1 68 68 PHE CB C 103 40.518 40.518 41.425 -0.907 17579 11315 1 18 . 1 1 68 68 PHE H H 103 8.087 8.087 8.122 -0.035 17579 11316 1 18 . 1 1 69 69 ILE N N 104 114.672 114.672 116.819 -2.147 17579 11317 1 18 . 1 1 69 69 ILE HA H 104 2.991 2.991 4.464 -1.473 17579 11318 1 18 . 1 1 69 69 ILE C C 104 175.387 175.387 174.039 1.348 17579 11319 1 18 . 1 1 69 69 ILE CA C 104 57.903 57.903 58.020 -0.117 17579 11320 1 18 . 1 1 69 69 ILE CB C 104 38.207 38.207 40.157 -1.950 17579 11321 1 18 . 1 1 69 69 ILE H H 104 8.847 8.847 8.946 -0.099 17579 11322 1 18 . 1 1 70 70 PRO HA H 105 3.918 3.918 4.701 -0.783 17579 11323 1 18 . 1 1 70 70 PRO C C 105 177.442 177.442 175.957 1.485 17579 11324 1 18 . 1 1 70 70 PRO CA C 105 64.823 64.823 63.309 1.514 17579 11325 1 18 . 1 1 70 70 PRO CB C 105 35.906 35.906 30.501 5.405 17579 11326 1 18 . 1 1 71 71 SER N N 106 113.113 113.113 118.823 -5.710 17579 11327 1 18 . 1 1 71 71 SER HA H 106 4.261 4.261 4.622 -0.361 17579 11328 1 18 . 1 1 71 71 SER C C 106 175.111 175.111 174.564 0.547 17579 11329 1 18 . 1 1 71 71 SER CA C 106 60.111 60.111 57.189 2.922 17579 11330 1 18 . 1 1 71 71 SER CB C 106 63.687 63.687 64.621 -0.934 17579 11331 1 18 . 1 1 71 71 SER H H 106 7.904 7.904 8.067 -0.163 17579 11332 1 18 . 1 1 72 72 LYS N N 107 119.830 119.830 128.372 -8.542 17579 11333 1 18 . 1 1 72 72 LYS HA H 107 4.187 4.187 3.987 0.200 17579 11334 1 18 . 1 1 72 72 LYS CA C 107 58.783 58.783 60.423 -1.640 17579 11335 1 18 . 1 1 72 72 LYS CB C 107 30.951 30.951 32.455 -1.504 17579 11336 1 18 . 1 1 72 72 LYS H H 107 8.314 8.314 8.714 -0.400 17579 11337 1 18 . 1 1 73 73 GLN N N 108 123.860 123.860 119.200 4.660 17579 11338 1 18 . 1 1 73 73 GLN HA H 108 4.001 4.001 4.010 -0.009 17579 11339 1 18 . 1 1 73 73 GLN CA C 108 58.831 58.831 58.953 -0.122 17579 11340 1 18 . 1 1 73 73 GLN CB C 108 28.451 28.451 28.187 0.264 17579 11341 1 18 . 1 1 73 73 GLN H H 108 8.510 8.510 8.585 -0.075 17579 11342 1 18 . 1 1 74 74 ASP N N 109 121.145 121.145 120.688 0.457 17579 11343 1 18 . 1 1 74 74 ASP HA H 109 4.389 4.389 4.406 -0.017 17579 11344 1 18 . 1 1 74 74 ASP C C 109 178.552 178.552 178.455 0.097 17579 11345 1 18 . 1 1 74 74 ASP H H 109 7.966 7.966 7.789 0.177 17579 11346 1 18 . 1 1 75 75 LEU N N 110 121.098 121.098 121.062 0.036 17579 11347 1 18 . 1 1 75 75 LEU HA H 110 3.955 3.955 3.940 0.015 17579 11348 1 18 . 1 1 75 75 LEU C C 110 178.953 178.953 178.859 0.094 17579 11349 1 18 . 1 1 75 75 LEU CA C 110 56.538 56.538 57.962 -1.424 17579 11350 1 18 . 1 1 75 75 LEU CB C 110 40.845 40.845 41.987 -1.143 17579 11351 1 18 . 1 1 75 75 LEU H H 110 7.932 7.932 8.152 -0.220 17579 11352 1 18 . 1 1 76 76 GLY N N 111 105.659 105.659 105.347 0.312 17579 11353 1 18 . 1 1 76 76 GLY C C 111 175.510 175.510 175.703 -0.193 17579 11354 1 18 . 1 1 76 76 GLY CA C 111 47.037 47.037 47.025 0.012 17579 11355 1 18 . 1 1 76 76 GLY H H 111 8.006 8.006 8.654 -0.648 17579 11356 1 18 . 1 1 77 77 ALA N N 112 122.987 122.987 124.547 -1.560 17579 11357 1 18 . 1 1 77 77 ALA HA H 112 4.112 4.112 4.064 0.049 17579 11358 1 18 . 1 1 77 77 ALA C C 112 179.350 179.350 179.026 0.324 17579 11359 1 18 . 1 1 77 77 ALA CA C 112 53.930 53.930 54.809 -0.880 17579 11360 1 18 . 1 1 77 77 ALA CB C 112 18.727 18.727 18.260 0.467 17579 11361 1 18 . 1 1 77 77 ALA H H 112 7.824 7.824 7.726 0.098 17579 11362 1 18 . 1 1 78 78 ALA N N 113 121.466 121.466 120.135 1.331 17579 11363 1 18 . 1 1 78 78 ALA HA H 113 4.189 4.189 4.010 0.179 17579 11364 1 18 . 1 1 78 78 ALA C C 113 177.368 177.368 179.350 -1.982 17579 11365 1 18 . 1 1 78 78 ALA CA C 113 53.750 53.750 54.774 -1.024 17579 11366 1 18 . 1 1 78 78 ALA CB C 113 19.231 19.231 18.971 0.260 17579 11367 1 18 . 1 1 78 78 ALA H H 113 7.785 7.785 7.864 -0.079 17579 11368 1 18 . 1 1 79 79 GLY N N 114 104.016 104.016 105.136 -1.120 17579 11369 1 18 . 1 1 79 79 GLY CA C 114 45.256 45.256 45.975 -0.719 17579 11370 1 18 . 1 1 79 79 GLY H H 114 7.742 7.742 8.421 -0.679 17579 11371 1 18 . 1 1 80 80 ALA HA H 115 4.100 4.100 4.541 -0.441 17579 11372 1 18 . 1 1 80 80 ALA C C 115 176.526 176.526 175.217 1.309 17579 11373 1 18 . 1 1 80 80 ALA CA C 115 53.482 53.482 51.638 1.844 17579 11374 1 18 . 1 1 80 80 ALA CB C 115 19.825 19.825 19.760 0.065 17579 11375 1 18 . 1 1 81 81 THR N N 116 116.236 116.236 118.142 -1.906 17579 11376 1 18 . 1 1 81 81 THR HA H 116 4.718 4.718 4.080 0.638 17579 11377 1 18 . 1 1 81 81 THR CA C 116 57.275 57.275 63.293 -6.018 17579 11378 1 18 . 1 1 81 81 THR CB C 116 64.878 64.878 69.149 -4.271 17579 11379 1 18 . 1 1 81 81 THR H H 116 8.068 8.068 8.507 -0.439 17579 11380 1 18 . 1 1 84 84 PRO HA H 119 4.072 4.072 4.539 -0.467 17579 11381 1 18 . 1 1 84 84 PRO CB C 119 32.154 32.154 32.617 -0.464 17579 11382 1 18 . 1 1 85 85 THR N N 120 119.680 119.680 117.172 2.508 17579 11383 1 18 . 1 1 85 85 THR C C 120 175.333 175.333 174.941 0.392 17579 11384 1 18 . 1 1 85 85 THR CB C 120 71.769 71.769 70.056 1.713 17579 11385 1 18 . 1 1 85 85 THR H H 120 8.002 8.002 8.538 -0.536 17579 11386 1 18 . 1 1 86 86 SER N N 121 115.589 115.589 112.742 2.847 17579 11387 1 18 . 1 1 86 86 SER HA H 121 4.325 4.325 4.244 0.081 17579 11388 1 18 . 1 1 86 86 SER C C 121 172.929 172.929 172.719 0.210 17579 11389 1 18 . 1 1 86 86 SER CA C 121 59.722 59.722 59.636 0.086 17579 11390 1 18 . 1 1 86 86 SER CB C 121 64.608 64.608 62.693 1.915 17579 11391 1 18 . 1 1 86 86 SER H H 121 7.335 7.335 8.616 -1.281 17579 11392 1 18 . 1 1 87 87 VAL N N 122 116.044 116.044 112.745 3.299 17579 11393 1 18 . 1 1 87 87 VAL HA H 122 5.200 5.200 4.889 0.311 17579 11394 1 18 . 1 1 87 87 VAL C C 122 172.465 172.465 173.958 -1.493 17579 11395 1 18 . 1 1 87 87 VAL CA C 122 59.819 59.819 61.512 -1.693 17579 11396 1 18 . 1 1 87 87 VAL CB C 122 33.368 33.368 35.001 -1.633 17579 11397 1 18 . 1 1 87 87 VAL H H 122 7.152 7.152 7.258 -0.106 17579 11398 1 18 . 1 1 88 88 VAL N N 123 119.350 119.350 119.342 0.008 17579 11399 1 18 . 1 1 88 88 VAL HA H 123 5.091 5.091 5.013 0.078 17579 11400 1 18 . 1 1 88 88 VAL C C 123 173.214 173.214 172.902 0.312 17579 11401 1 18 . 1 1 88 88 VAL CA C 123 59.219 59.219 60.004 -0.785 17579 11402 1 18 . 1 1 88 88 VAL CB C 123 36.362 36.362 36.105 0.257 17579 11403 1 18 . 1 1 88 88 VAL H H 123 8.851 8.851 8.908 -0.057 17579 11404 1 18 . 1 1 89 89 PHE N N 124 122.568 122.568 125.006 -2.438 17579 11405 1 18 . 1 1 89 89 PHE HA H 124 5.613 5.613 5.342 0.271 17579 11406 1 18 . 1 1 89 89 PHE C C 124 174.887 174.887 175.486 -0.599 17579 11407 1 18 . 1 1 89 89 PHE CA C 124 52.961 52.961 55.474 -2.513 17579 11408 1 18 . 1 1 89 89 PHE CB C 124 42.788 42.788 41.690 1.098 17579 11409 1 18 . 1 1 89 89 PHE H H 124 9.051 9.051 9.200 -0.149 17579 11410 1 18 . 1 1 90 90 ILE N N 125 127.707 127.707 127.999 -0.292 17579 11411 1 18 . 1 1 90 90 ILE HA H 125 4.264 4.264 4.319 -0.055 17579 11412 1 18 . 1 1 90 90 ILE C C 125 173.870 173.870 175.474 -1.604 17579 11413 1 18 . 1 1 90 90 ILE CA C 125 61.789 61.789 60.256 1.533 17579 11414 1 18 . 1 1 90 90 ILE CB C 125 39.785 39.785 37.486 2.299 17579 11415 1 18 . 1 1 90 90 ILE H H 125 9.477 9.477 9.320 0.157 17579 11416 1 18 . 1 1 91 91 VAL N N 126 126.579 126.579 119.751 6.828 17579 11417 1 18 . 1 1 91 91 VAL HA H 126 4.566 4.566 4.887 -0.321 17579 11418 1 18 . 1 1 91 91 VAL C C 126 173.829 173.829 173.962 -0.133 17579 11419 1 18 . 1 1 91 91 VAL CA C 126 58.701 58.701 58.347 0.354 17579 11420 1 18 . 1 1 91 91 VAL CB C 126 32.989 32.989 34.451 -1.462 17579 11421 1 18 . 1 1 91 91 VAL H H 126 8.149 8.149 9.156 -1.007 17579 11422 1 18 . 1 1 92 92 PRO HA H 127 4.035 4.035 4.626 -0.591 17579 11423 1 18 . 1 1 92 92 PRO C C 127 177.766 177.766 176.650 1.116 17579 11424 1 18 . 1 1 92 92 PRO CA C 127 63.684 63.684 63.248 0.436 17579 11425 1 18 . 1 1 92 92 PRO CB C 127 32.178 32.178 29.963 2.215 17579 11426 1 18 . 1 1 93 93 GLY N N 128 108.618 108.618 108.547 0.071 17579 11427 1 18 . 1 1 93 93 GLY CA C 128 45.787 45.787 44.849 0.938 17579 11428 1 18 . 1 1 93 93 GLY H H 128 7.970 7.970 8.368 -0.398 17579 11429 1 18 . 1 1 94 94 SER N N 129 113.620 113.620 116.280 -2.660 17579 11430 1 18 . 1 1 94 94 SER HA H 129 4.317 4.317 4.502 -0.185 17579 11431 1 18 . 1 1 94 94 SER C C 129 180.379 180.379 174.430 5.949 17579 11432 1 18 . 1 1 94 94 SER CA C 129 58.566 58.566 56.149 2.417 17579 11433 1 18 . 1 1 94 94 SER H H 129 7.952 7.952 7.836 0.116 17579 11434 1 18 . 1 1 95 95 ASN N N 130 120.775 120.775 122.721 -1.946 17579 11435 1 18 . 1 1 95 95 ASN HA H 130 3.964 3.964 4.370 -0.406 17579 11436 1 18 . 1 1 95 95 ASN C C 130 178.664 178.664 176.981 1.683 17579 11437 1 18 . 1 1 95 95 ASN CA C 130 57.689 57.689 56.176 1.513 17579 11438 1 18 . 1 1 95 95 ASN CB C 130 42.288 42.288 38.282 4.006 17579 11439 1 18 . 1 1 95 95 ASN H H 130 8.300 8.300 7.996 0.304 17579 11440 1 18 . 1 1 96 96 LYS N N 131 119.316 119.316 118.842 0.474 17579 11441 1 18 . 1 1 96 96 LYS HA H 131 4.095 4.095 4.338 -0.243 17579 11442 1 18 . 1 1 96 96 LYS C C 131 178.290 178.290 177.911 0.379 17579 11443 1 18 . 1 1 96 96 LYS CA C 131 59.062 59.062 57.960 1.102 17579 11444 1 18 . 1 1 96 96 LYS CB C 131 29.745 29.745 32.352 -2.607 17579 11445 1 18 . 1 1 96 96 LYS H H 131 7.896 7.896 8.504 -0.608 17579 11446 1 18 . 1 1 97 97 LYS N N 132 117.523 117.523 119.436 -1.913 17579 11447 1 18 . 1 1 97 97 LYS C C 132 176.927 176.927 179.268 -2.341 17579 11448 1 18 . 1 1 97 97 LYS CA C 132 58.555 58.555 58.883 -0.327 17579 11449 1 18 . 1 1 97 97 LYS CB C 132 30.578 30.578 31.747 -1.169 17579 11450 1 18 . 1 1 97 97 LYS H H 132 7.791 7.791 7.953 -0.162 17579 11451 1 18 . 1 1 98 98 LYS HA H 133 4.236 4.236 4.102 0.134 17579 11452 1 18 . 1 1 98 98 LYS C C 133 176.606 176.606 177.068 -0.462 17579 11453 1 18 . 1 1 98 98 LYS CA C 133 57.225 57.225 59.087 -1.862 17579 11454 1 18 . 1 1 98 98 LYS CB C 133 33.151 33.151 32.546 0.605 17579 11455 1 18 . 1 1 99 99 ASP N N 134 120.311 120.311 115.756 4.555 17579 11456 1 18 . 1 1 99 99 ASP HA H 134 4.584 4.584 4.803 -0.219 17579 11457 1 18 . 1 1 99 99 ASP C C 134 176.899 176.899 176.212 0.687 17579 11458 1 18 . 1 1 99 99 ASP CA C 134 54.402 54.402 54.119 0.283 17579 11459 1 18 . 1 1 99 99 ASP CB C 134 41.568 41.568 41.764 -0.196 17579 11460 1 18 . 1 1 99 99 ASP H H 134 8.267 8.267 7.822 0.445 17579 11461 1 18 . 1 1 100 100 GLY N N 135 108.751 108.751 108.517 0.234 17579 11462 1 18 . 1 1 100 100 GLY C C 135 174.683 174.683 174.036 0.647 17579 11463 1 18 . 1 1 100 100 GLY CA C 135 45.985 45.985 45.350 0.635 17579 11464 1 18 . 1 1 100 100 GLY H H 135 8.235 8.235 7.363 0.872 17579 11465 1 18 . 1 1 101 101 LYS N N 136 120.306 120.306 120.954 -0.648 17579 11466 1 18 . 1 1 101 101 LYS HA H 136 4.279 4.279 4.237 0.042 17579 11467 1 18 . 1 1 101 101 LYS C C 136 175.145 175.145 176.796 -1.651 17579 11468 1 18 . 1 1 101 101 LYS CA C 136 56.875 56.875 56.555 0.320 17579 11469 1 18 . 1 1 101 101 LYS CB C 136 32.987 32.987 32.996 -0.009 17579 11470 1 18 . 1 1 101 101 LYS H H 136 8.148 8.148 7.996 0.152 17579 11471 1 18 . 1 1 102 102 ASN N N 137 118.958 118.958 120.058 -1.100 17579 11472 1 18 . 1 1 102 102 ASN HA H 137 4.707 4.707 4.546 0.161 17579 11473 1 18 . 1 1 102 102 ASN C C 137 175.849 175.849 176.783 -0.934 17579 11474 1 18 . 1 1 102 102 ASN CA C 137 53.816 53.816 55.205 -1.389 17579 11475 1 18 . 1 1 102 102 ASN CB C 137 39.070 39.070 38.461 0.609 17579 11476 1 18 . 1 1 102 102 ASN H H 137 8.406 8.406 8.631 -0.225 17579 11477 1 18 . 1 1 103 103 LYS N N 138 121.782 121.782 121.142 0.640 17579 11478 1 18 . 1 1 103 103 LYS HA H 138 4.255 4.255 3.968 0.287 17579 11479 1 18 . 1 1 103 103 LYS CA C 138 56.641 56.641 59.196 -2.555 17579 11480 1 18 . 1 1 103 103 LYS CB C 138 32.911 32.911 31.776 1.135 17579 11481 1 18 . 1 1 103 103 LYS H H 138 8.316 8.316 8.375 -0.059 17579 11482 1 18 . 1 1 104 104 GLU N N 139 121.053 121.053 117.372 3.681 17579 11483 1 18 . 1 1 104 104 GLU CA C 139 57.449 57.449 59.518 -2.069 17579 11484 1 18 . 1 1 104 104 GLU CB C 139 29.983 29.983 28.445 1.538 17579 11485 1 18 . 1 1 104 104 GLU H H 139 8.459 8.459 8.477 -0.018 17579 11486 1 18 . 1 1 106 106 GLU N N 141 122.191 122.191 119.909 2.282 17579 11487 1 18 . 1 1 106 106 GLU HA H 141 4.268 4.268 4.045 0.223 17579 11488 1 18 . 1 1 106 106 GLU CA C 141 64.025 64.025 59.675 4.350 17579 11489 1 18 . 1 1 106 106 GLU CB C 141 32.117 32.117 29.409 2.708 17579 11490 1 18 . 1 1 106 106 GLU H H 141 8.291 8.291 8.169 0.122 17579 11491 1 18 . 1 1 107 107 TYR N N 142 115.802 115.802 121.271 -5.469 17579 11492 1 18 . 1 1 107 107 TYR HA H 142 4.996 4.996 3.984 1.012 17579 11493 1 18 . 1 1 107 107 TYR C C 142 175.381 175.381 177.259 -1.878 17579 11494 1 18 . 1 1 107 107 TYR CA C 142 57.581 57.581 61.265 -3.684 17579 11495 1 18 . 1 1 107 107 TYR CB C 142 39.533 39.533 38.299 1.234 17579 11496 1 18 . 1 1 107 107 TYR H H 142 7.344 7.344 8.946 -1.602 17579 11497 1 18 . 1 1 108 108 LYS N N 143 123.473 123.473 118.965 4.508 17579 11498 1 18 . 1 1 108 108 LYS HA H 143 3.628 3.628 3.336 0.292 17579 11499 1 18 . 1 1 108 108 LYS C C 143 177.659 177.659 178.592 -0.933 17579 11500 1 18 . 1 1 108 108 LYS CA C 143 59.988 59.988 59.612 0.376 17579 11501 1 18 . 1 1 108 108 LYS CB C 143 32.294 32.294 32.073 0.221 17579 11502 1 18 . 1 1 108 108 LYS H H 143 7.376 7.376 8.055 -0.679 17579 11503 1 18 . 1 1 109 109 GLU N N 144 118.799 118.799 118.776 0.023 17579 11504 1 18 . 1 1 109 109 GLU HA H 144 4.048 4.048 3.993 0.055 17579 11505 1 18 . 1 1 109 109 GLU C C 144 179.583 179.583 179.292 0.291 17579 11506 1 18 . 1 1 109 109 GLU CA C 144 60.200 60.200 59.388 0.812 17579 11507 1 18 . 1 1 109 109 GLU CB C 144 29.237 29.237 29.088 0.149 17579 11508 1 18 . 1 1 109 109 GLU H H 144 8.558 8.558 7.959 0.599 17579 11509 1 18 . 1 1 110 110 SER N N 145 116.121 116.121 115.653 0.468 17579 11510 1 18 . 1 1 110 110 SER HA H 145 4.319 4.319 4.167 0.152 17579 11511 1 18 . 1 1 110 110 SER C C 145 176.522 176.522 176.792 -0.270 17579 11512 1 18 . 1 1 110 110 SER CA C 145 61.990 61.990 62.097 -0.107 17579 11513 1 18 . 1 1 110 110 SER CB C 145 63.293 63.293 63.097 0.196 17579 11514 1 18 . 1 1 110 110 SER H H 145 8.094 8.094 8.173 -0.079 17579 11515 1 18 . 1 1 111 111 PHE N N 146 122.311 122.311 122.999 -0.688 17579 11516 1 18 . 1 1 111 111 PHE HA H 146 4.021 4.021 4.052 -0.031 17579 11517 1 18 . 1 1 111 111 PHE C C 146 176.001 176.001 176.736 -0.735 17579 11518 1 18 . 1 1 111 111 PHE CA C 146 62.504 62.504 60.284 2.220 17579 11519 1 18 . 1 1 111 111 PHE CB C 146 39.861 39.861 38.660 1.201 17579 11520 1 18 . 1 1 111 111 PHE H H 146 8.536 8.536 8.568 -0.032 17579 11521 1 18 . 1 1 112 112 ASN N N 147 117.908 117.908 116.986 0.922 17579 11522 1 18 . 1 1 112 112 ASN HA H 147 4.252 4.252 4.128 0.124 17579 11523 1 18 . 1 1 112 112 ASN C C 147 178.315 178.315 177.738 0.577 17579 11524 1 18 . 1 1 112 112 ASN CA C 147 56.226 56.226 56.986 -0.760 17579 11525 1 18 . 1 1 112 112 ASN CB C 147 37.990 37.990 38.034 -0.044 17579 11526 1 18 . 1 1 112 112 ASN H H 147 8.795 8.795 8.748 0.047 17579 11527 1 18 . 1 1 113 113 GLU N N 148 119.868 119.868 120.641 -0.773 17579 11528 1 18 . 1 1 113 113 GLU HA H 148 4.024 4.024 3.972 0.052 17579 11529 1 18 . 1 1 113 113 GLU C C 148 179.410 179.410 178.806 0.604 17579 11530 1 18 . 1 1 113 113 GLU CA C 148 59.710 59.710 59.670 0.040 17579 11531 1 18 . 1 1 113 113 GLU CB C 148 30.063 30.063 29.803 0.260 17579 11532 1 18 . 1 1 113 113 GLU H H 148 7.764 7.764 7.872 -0.108 17579 11533 1 18 . 1 1 114 114 VAL N N 149 119.684 119.684 117.675 2.009 17579 11534 1 18 . 1 1 114 114 VAL HA H 149 3.544 3.544 3.729 -0.185 17579 11535 1 18 . 1 1 114 114 VAL C C 149 177.613 177.613 177.975 -0.362 17579 11536 1 18 . 1 1 114 114 VAL CA C 149 66.977 66.977 64.947 2.030 17579 11537 1 18 . 1 1 114 114 VAL CB C 149 30.605 30.605 30.614 -0.009 17579 11538 1 18 . 1 1 114 114 VAL H H 149 7.973 7.973 7.932 0.041 17579 11539 1 18 . 1 1 115 115 VAL N N 150 119.782 119.782 121.627 -1.845 17579 11540 1 18 . 1 1 115 115 VAL HA H 150 3.164 3.164 3.312 -0.148 17579 11541 1 18 . 1 1 115 115 VAL C C 150 177.499 177.499 177.985 -0.486 17579 11542 1 18 . 1 1 115 115 VAL CA C 150 68.301 68.301 67.050 1.251 17579 11543 1 18 . 1 1 115 115 VAL CB C 150 31.483 31.483 31.021 0.462 17579 11544 1 18 . 1 1 115 115 VAL H H 150 8.452 8.452 8.411 0.041 17579 11545 1 18 . 1 1 116 116 LYS N N 151 118.842 118.842 118.199 0.643 17579 11546 1 18 . 1 1 116 116 LYS HA H 151 4.024 4.024 3.870 0.154 17579 11547 1 18 . 1 1 116 116 LYS C C 151 179.862 179.862 179.051 0.811 17579 11548 1 18 . 1 1 116 116 LYS CA C 151 59.947 59.947 59.319 0.628 17579 11549 1 18 . 1 1 116 116 LYS CB C 151 32.481 32.481 31.639 0.842 17579 11550 1 18 . 1 1 116 116 LYS H H 151 7.595 7.595 7.865 -0.270 17579 11551 1 18 . 1 1 117 117 GLU N N 152 120.243 120.243 119.892 0.351 17579 11552 1 18 . 1 1 117 117 GLU HA H 152 4.052 4.052 4.081 -0.029 17579 11553 1 18 . 1 1 117 117 GLU C C 152 179.528 179.528 179.028 0.500 17579 11554 1 18 . 1 1 117 117 GLU CA C 152 60.178 60.178 59.428 0.750 17579 11555 1 18 . 1 1 117 117 GLU CB C 152 29.949 29.949 29.522 0.427 17579 11556 1 18 . 1 1 117 117 GLU H H 152 7.513 7.513 7.842 -0.329 17579 11557 1 18 . 1 1 118 118 VAL N N 153 120.596 120.596 119.270 1.326 17579 11558 1 18 . 1 1 118 118 VAL HA H 153 3.464 3.464 3.730 -0.266 17579 11559 1 18 . 1 1 118 118 VAL C C 153 177.984 177.984 177.348 0.636 17579 11560 1 18 . 1 1 118 118 VAL CA C 153 68.047 68.047 65.338 2.709 17579 11561 1 18 . 1 1 118 118 VAL CB C 153 32.056 32.056 31.812 0.243 17579 11562 1 18 . 1 1 118 118 VAL H H 153 8.649 8.649 7.867 0.782 17579 11563 1 18 . 1 1 119 119 GLN N N 154 118.317 118.317 118.308 0.009 17579 11564 1 18 . 1 1 119 119 GLN HA H 154 3.986 3.986 4.152 -0.166 17579 11565 1 18 . 1 1 119 119 GLN C C 154 178.984 178.984 177.283 1.701 17579 11566 1 18 . 1 1 119 119 GLN CA C 154 59.716 59.716 58.086 1.630 17579 11567 1 18 . 1 1 119 119 GLN CB C 154 28.261 28.261 29.292 -1.031 17579 11568 1 18 . 1 1 119 119 GLN H H 154 8.947 8.947 7.773 1.174 17579 11569 1 18 . 1 1 120 120 ALA N N 155 120.688 120.688 121.957 -1.269 17579 11570 1 18 . 1 1 120 120 ALA HA H 155 3.484 3.484 4.199 -0.715 17579 11571 1 18 . 1 1 120 120 ALA C C 155 180.759 180.759 178.074 2.685 17579 11572 1 18 . 1 1 120 120 ALA CA C 155 55.257 55.257 53.287 1.970 17579 11573 1 18 . 1 1 120 120 ALA CB C 155 18.446 18.446 19.294 -0.848 17579 11574 1 18 . 1 1 120 120 ALA H H 155 7.494 7.494 7.954 -0.460 17579 11575 1 19 . 1 1 2 2 LYS N N 37 124.936 124.936 123.584 1.352 17579 11576 1 19 . 1 1 2 2 LYS HA H 37 4.053 4.053 4.164 -0.111 17579 11577 1 19 . 1 1 2 2 LYS C C 37 172.929 172.929 177.945 -5.016 17579 11578 1 19 . 1 1 2 2 LYS CA C 37 60.975 60.975 58.392 2.583 17579 11579 1 19 . 1 1 2 2 LYS CB C 37 32.607 32.607 31.742 0.865 17579 11580 1 19 . 1 1 2 2 LYS H H 37 7.564 7.564 8.472 -0.908 17579 11581 1 19 . 1 1 3 3 LYS N N 38 118.300 118.300 118.346 -0.046 17579 11582 1 19 . 1 1 3 3 LYS HA H 38 4.045 4.045 4.061 -0.016 17579 11583 1 19 . 1 1 3 3 LYS C C 38 179.361 179.361 178.339 1.022 17579 11584 1 19 . 1 1 3 3 LYS CA C 38 59.930 59.930 58.592 1.338 17579 11585 1 19 . 1 1 3 3 LYS CB C 38 32.885 32.885 31.567 1.318 17579 11586 1 19 . 1 1 3 3 LYS H H 38 8.234 8.234 8.298 -0.064 17579 11587 1 19 . 1 1 4 4 LEU N N 39 122.081 122.081 121.445 0.636 17579 11588 1 19 . 1 1 4 4 LEU HA H 39 4.135 4.135 3.877 0.258 17579 11589 1 19 . 1 1 4 4 LEU C C 39 178.433 178.433 177.979 0.454 17579 11590 1 19 . 1 1 4 4 LEU CA C 39 57.726 57.726 58.844 -1.118 17579 11591 1 19 . 1 1 4 4 LEU CB C 39 40.588 40.588 41.578 -0.990 17579 11592 1 19 . 1 1 4 4 LEU H H 39 7.856 7.856 7.761 0.095 17579 11593 1 19 . 1 1 5 5 ASN N N 40 118.758 118.758 116.019 2.739 17579 11594 1 19 . 1 1 5 5 ASN HA H 40 3.994 3.994 4.240 -0.246 17579 11595 1 19 . 1 1 5 5 ASN C C 40 176.246 176.246 177.499 -1.253 17579 11596 1 19 . 1 1 5 5 ASN CA C 40 57.843 57.843 56.459 1.383 17579 11597 1 19 . 1 1 5 5 ASN CB C 40 40.430 40.430 38.040 2.390 17579 11598 1 19 . 1 1 5 5 ASN H H 40 9.241 9.241 8.128 1.113 17579 11599 1 19 . 1 1 6 6 LYS N N 41 115.665 115.665 119.939 -4.274 17579 11600 1 19 . 1 1 6 6 LYS HA H 41 3.929 3.929 3.997 -0.068 17579 11601 1 19 . 1 1 6 6 LYS C C 41 179.318 179.318 179.022 0.296 17579 11602 1 19 . 1 1 6 6 LYS CA C 41 60.130 60.130 59.159 0.971 17579 11603 1 19 . 1 1 6 6 LYS CB C 41 32.580 32.580 32.060 0.520 17579 11604 1 19 . 1 1 6 6 LYS H H 41 7.239 7.239 7.547 -0.308 17579 11605 1 19 . 1 1 7 7 LYS N N 42 119.038 119.038 119.601 -0.563 17579 11606 1 19 . 1 1 7 7 LYS HA H 42 4.037 4.037 4.047 -0.010 17579 11607 1 19 . 1 1 7 7 LYS C C 42 180.428 180.428 179.233 1.195 17579 11608 1 19 . 1 1 7 7 LYS CA C 42 60.178 60.178 59.143 1.035 17579 11609 1 19 . 1 1 7 7 LYS CB C 42 33.670 33.670 32.352 1.318 17579 11610 1 19 . 1 1 7 7 LYS H H 42 7.358 7.358 7.966 -0.608 17579 11611 1 19 . 1 1 8 8 VAL N N 43 122.489 122.489 119.255 3.234 17579 11612 1 19 . 1 1 8 8 VAL HA H 43 3.263 3.263 3.726 -0.463 17579 11613 1 19 . 1 1 8 8 VAL C C 43 177.823 177.823 178.100 -0.277 17579 11614 1 19 . 1 1 8 8 VAL CA C 43 67.836 67.836 67.098 0.738 17579 11615 1 19 . 1 1 8 8 VAL CB C 43 31.523 31.523 31.467 0.056 17579 11616 1 19 . 1 1 8 8 VAL H H 43 9.167 9.167 8.528 0.639 17579 11617 1 19 . 1 1 9 9 LEU N N 44 119.740 119.740 117.948 1.792 17579 11618 1 19 . 1 1 9 9 LEU HA H 44 3.964 3.964 4.038 -0.074 17579 11619 1 19 . 1 1 9 9 LEU C C 44 179.700 179.700 178.778 0.922 17579 11620 1 19 . 1 1 9 9 LEU CA C 44 58.742 58.742 58.603 0.139 17579 11621 1 19 . 1 1 9 9 LEU CB C 44 41.239 41.239 40.999 0.240 17579 11622 1 19 . 1 1 9 9 LEU H H 44 8.437 8.437 8.262 0.175 17579 11623 1 19 . 1 1 10 10 LYS N N 45 119.832 119.832 119.322 0.510 17579 11624 1 19 . 1 1 10 10 LYS HA H 45 4.013 4.013 4.138 -0.125 17579 11625 1 19 . 1 1 10 10 LYS C C 45 178.847 178.847 179.267 -0.420 17579 11626 1 19 . 1 1 10 10 LYS CA C 45 60.146 60.146 59.099 1.047 17579 11627 1 19 . 1 1 10 10 LYS CB C 45 32.583 32.583 31.596 0.987 17579 11628 1 19 . 1 1 10 10 LYS H H 45 7.857 7.857 8.303 -0.446 17579 11629 1 19 . 1 1 11 11 THR N N 46 116.695 116.695 117.356 -0.661 17579 11630 1 19 . 1 1 11 11 THR HA H 46 4.327 4.327 4.218 0.109 17579 11631 1 19 . 1 1 11 11 THR C C 46 176.211 176.211 176.622 -0.411 17579 11632 1 19 . 1 1 11 11 THR CA C 46 68.237 68.237 66.948 1.289 17579 11633 1 19 . 1 1 11 11 THR CB C 46 68.312 68.312 68.610 -0.298 17579 11634 1 19 . 1 1 11 11 THR H H 46 7.796 7.796 8.150 -0.354 17579 11635 1 19 . 1 1 12 12 VAL N N 47 122.013 122.013 121.966 0.047 17579 11636 1 19 . 1 1 12 12 VAL HA H 47 3.235 3.235 3.860 -0.625 17579 11637 1 19 . 1 1 12 12 VAL C C 47 177.909 177.909 176.904 1.005 17579 11638 1 19 . 1 1 12 12 VAL CA C 47 67.838 67.838 65.518 2.320 17579 11639 1 19 . 1 1 12 12 VAL CB C 47 31.706 31.706 31.878 -0.173 17579 11640 1 19 . 1 1 12 12 VAL H H 47 8.762 8.762 8.210 0.552 17579 11641 1 19 . 1 1 13 13 LYS N N 48 118.035 118.035 119.307 -1.272 17579 11642 1 19 . 1 1 13 13 LYS HA H 48 3.828 3.828 4.045 -0.217 17579 11643 1 19 . 1 1 13 13 LYS CA C 48 59.960 59.960 59.184 0.775 17579 11644 1 19 . 1 1 13 13 LYS CB C 48 32.837 32.837 32.268 0.569 17579 11645 1 19 . 1 1 13 13 LYS H H 48 7.492 7.492 7.868 -0.376 17579 11646 1 19 . 1 1 14 14 LYS N N 49 120.565 120.565 116.545 4.020 17579 11647 1 19 . 1 1 14 14 LYS HA H 49 3.952 3.952 4.236 -0.284 17579 11648 1 19 . 1 1 14 14 LYS C C 49 179.608 179.608 178.150 1.458 17579 11649 1 19 . 1 1 14 14 LYS CA C 49 59.950 59.950 58.105 1.845 17579 11650 1 19 . 1 1 14 14 LYS CB C 49 33.723 33.723 32.918 0.805 17579 11651 1 19 . 1 1 14 14 LYS H H 49 7.498 7.498 7.913 -0.415 17579 11652 1 19 . 1 1 15 15 ALA N N 50 122.192 122.192 121.195 0.997 17579 11653 1 19 . 1 1 15 15 ALA HA H 50 3.467 3.467 3.950 -0.483 17579 11654 1 19 . 1 1 15 15 ALA C C 50 179.970 179.970 179.163 0.807 17579 11655 1 19 . 1 1 15 15 ALA CA C 50 54.950 54.950 54.087 0.863 17579 11656 1 19 . 1 1 15 15 ALA CB C 50 19.270 19.270 17.791 1.478 17579 11657 1 19 . 1 1 15 15 ALA H H 50 8.529 8.529 7.938 0.591 17579 11658 1 19 . 1 1 16 16 SER N N 51 116.624 116.624 113.569 3.055 17579 11659 1 19 . 1 1 16 16 SER HA H 51 4.696 4.696 4.155 0.541 17579 11660 1 19 . 1 1 16 16 SER C C 51 178.705 178.705 175.834 2.871 17579 11661 1 19 . 1 1 16 16 SER CA C 51 62.206 62.206 60.687 1.519 17579 11662 1 19 . 1 1 16 16 SER CB C 51 62.918 62.918 62.980 -0.062 17579 11663 1 19 . 1 1 16 16 SER H H 51 8.542 8.542 8.095 0.447 17579 11664 1 19 . 1 1 17 17 LYS N N 52 124.866 124.866 121.363 3.503 17579 11665 1 19 . 1 1 17 17 LYS HA H 52 4.051 4.051 4.149 -0.098 17579 11666 1 19 . 1 1 17 17 LYS C C 52 177.563 177.563 177.066 0.497 17579 11667 1 19 . 1 1 17 17 LYS CA C 52 59.290 59.290 58.010 1.280 17579 11668 1 19 . 1 1 17 17 LYS CB C 52 32.104 32.104 32.611 -0.507 17579 11669 1 19 . 1 1 17 17 LYS H H 52 7.553 7.553 7.428 0.125 17579 11670 1 19 . 1 1 18 18 ALA N N 53 118.801 118.801 118.734 0.067 17579 11671 1 19 . 1 1 18 18 ALA HA H 53 4.280 4.280 4.392 -0.112 17579 11672 1 19 . 1 1 18 18 ALA C C 53 175.253 175.253 176.177 -0.924 17579 11673 1 19 . 1 1 18 18 ALA CA C 53 52.222 52.222 51.134 1.088 17579 11674 1 19 . 1 1 18 18 ALA CB C 53 19.566 19.566 19.095 0.471 17579 11675 1 19 . 1 1 18 18 ALA H H 53 7.092 7.092 7.297 -0.205 17579 11676 1 19 . 1 1 19 19 LYS N N 54 112.119 112.119 117.332 -5.213 17579 11677 1 19 . 1 1 19 19 LYS HA H 54 4.027 4.027 3.954 0.073 17579 11678 1 19 . 1 1 19 19 LYS C C 54 177.191 177.191 176.084 1.107 17579 11679 1 19 . 1 1 19 19 LYS CA C 54 57.435 57.435 57.200 0.235 17579 11680 1 19 . 1 1 19 19 LYS CB C 54 28.420 28.420 30.503 -2.083 17579 11681 1 19 . 1 1 19 19 LYS H H 54 7.644 7.644 7.479 0.165 17579 11682 1 19 . 1 1 20 20 ASN N N 55 116.236 116.236 115.331 0.905 17579 11683 1 19 . 1 1 20 20 ASN HA H 55 5.090 5.090 4.647 0.443 17579 11684 1 19 . 1 1 20 20 ASN C C 55 173.176 173.176 175.170 -1.994 17579 11685 1 19 . 1 1 20 20 ASN CA C 55 51.617 51.617 54.582 -2.965 17579 11686 1 19 . 1 1 20 20 ASN CB C 55 40.642 40.642 39.830 0.812 17579 11687 1 19 . 1 1 20 20 ASN H H 55 8.099 8.099 7.841 0.258 17579 11688 1 19 . 1 1 21 21 VAL N N 56 115.268 115.268 120.270 -5.002 17579 11689 1 19 . 1 1 21 21 VAL HA H 56 4.864 4.864 4.085 0.779 17579 11690 1 19 . 1 1 21 21 VAL C C 56 175.526 175.526 174.739 0.787 17579 11691 1 19 . 1 1 21 21 VAL CA C 56 61.314 61.314 62.489 -1.175 17579 11692 1 19 . 1 1 21 21 VAL CB C 56 35.532 35.532 32.403 3.129 17579 11693 1 19 . 1 1 21 21 VAL H H 56 7.621 7.621 7.852 -0.231 17579 11694 1 19 . 1 1 22 22 LYS N N 57 126.903 126.903 129.440 -2.537 17579 11695 1 19 . 1 1 22 22 LYS HA H 57 4.682 4.682 4.704 -0.022 17579 11696 1 19 . 1 1 22 22 LYS C C 57 175.564 175.564 175.054 0.510 17579 11697 1 19 . 1 1 22 22 LYS CA C 57 54.694 54.694 54.151 0.542 17579 11698 1 19 . 1 1 22 22 LYS CB C 57 33.975 33.975 33.853 0.122 17579 11699 1 19 . 1 1 22 22 LYS H H 57 9.006 9.006 8.566 0.440 17579 11700 1 19 . 1 1 23 23 ARG N N 58 122.053 122.053 123.157 -1.104 17579 11701 1 19 . 1 1 23 23 ARG HA H 58 4.850 4.850 4.494 0.356 17579 11702 1 19 . 1 1 23 23 ARG C C 58 176.136 176.136 176.586 -0.450 17579 11703 1 19 . 1 1 23 23 ARG CA C 58 56.100 56.100 55.110 0.990 17579 11704 1 19 . 1 1 23 23 ARG CB C 58 33.752 33.752 31.451 2.301 17579 11705 1 19 . 1 1 23 23 ARG H H 58 8.994 8.994 8.902 0.092 17579 11706 1 19 . 1 1 24 24 GLY N N 59 110.836 110.836 108.940 1.896 17579 11707 1 19 . 1 1 24 24 GLY C C 59 173.053 173.053 174.523 -1.470 17579 11708 1 19 . 1 1 24 24 GLY CA C 59 45.028 45.028 44.469 0.559 17579 11709 1 19 . 1 1 24 24 GLY H H 59 8.205 8.205 8.347 -0.142 17579 11710 1 19 . 1 1 25 25 VAL N N 60 119.573 119.573 122.086 -2.513 17579 11711 1 19 . 1 1 25 25 VAL HA H 60 4.117 4.117 3.690 0.427 17579 11712 1 19 . 1 1 25 25 VAL C C 60 176.366 176.366 177.182 -0.816 17579 11713 1 19 . 1 1 25 25 VAL CA C 60 67.542 67.542 65.549 1.992 17579 11714 1 19 . 1 1 25 25 VAL CB C 60 32.147 32.147 31.694 0.453 17579 11715 1 19 . 1 1 25 25 VAL H H 60 8.219 8.219 8.689 -0.470 17579 11716 1 19 . 1 1 26 26 LYS N N 61 117.987 117.987 119.319 -1.332 17579 11717 1 19 . 1 1 26 26 LYS HA H 61 3.896 3.896 4.019 -0.123 17579 11718 1 19 . 1 1 26 26 LYS C C 61 180.230 180.230 178.879 1.351 17579 11719 1 19 . 1 1 26 26 LYS CA C 61 60.492 60.492 59.720 0.772 17579 11720 1 19 . 1 1 26 26 LYS CB C 61 32.356 32.356 31.519 0.837 17579 11721 1 19 . 1 1 26 26 LYS H H 61 8.112 8.112 8.475 -0.363 17579 11722 1 19 . 1 1 27 27 GLU N N 62 117.610 117.610 118.980 -1.370 17579 11723 1 19 . 1 1 27 27 GLU HA H 62 3.937 3.937 4.102 -0.165 17579 11724 1 19 . 1 1 27 27 GLU C C 62 180.103 180.103 179.301 0.802 17579 11725 1 19 . 1 1 27 27 GLU CA C 62 59.119 59.119 59.345 -0.226 17579 11726 1 19 . 1 1 27 27 GLU CB C 62 30.052 30.052 28.981 1.071 17579 11727 1 19 . 1 1 27 27 GLU H H 62 8.493 8.493 7.971 0.522 17579 11728 1 19 . 1 1 28 28 VAL N N 63 120.585 120.585 120.501 0.084 17579 11729 1 19 . 1 1 28 28 VAL HA H 63 3.478 3.478 3.875 -0.397 17579 11730 1 19 . 1 1 28 28 VAL C C 63 176.970 176.970 177.713 -0.743 17579 11731 1 19 . 1 1 28 28 VAL CA C 63 68.197 68.197 67.272 0.925 17579 11732 1 19 . 1 1 28 28 VAL CB C 63 31.632 31.632 31.755 -0.123 17579 11733 1 19 . 1 1 28 28 VAL H H 63 8.241 8.241 7.975 0.266 17579 11734 1 19 . 1 1 29 29 VAL N N 64 118.622 118.622 120.010 -1.388 17579 11735 1 19 . 1 1 29 29 VAL HA H 64 3.333 3.333 3.644 -0.311 17579 11736 1 19 . 1 1 29 29 VAL C C 64 177.709 177.709 178.185 -0.476 17579 11737 1 19 . 1 1 29 29 VAL CA C 64 67.751 67.751 66.370 1.381 17579 11738 1 19 . 1 1 29 29 VAL CB C 64 31.553 31.553 31.374 0.179 17579 11739 1 19 . 1 1 29 29 VAL H H 64 8.510 8.510 8.167 0.343 17579 11740 1 19 . 1 1 30 30 LYS N N 65 118.138 118.138 119.035 -0.897 17579 11741 1 19 . 1 1 30 30 LYS HA H 65 3.855 3.855 4.020 -0.165 17579 11742 1 19 . 1 1 30 30 LYS C C 65 178.693 178.693 178.757 -0.064 17579 11743 1 19 . 1 1 30 30 LYS CA C 65 59.986 59.986 59.126 0.861 17579 11744 1 19 . 1 1 30 30 LYS CB C 65 32.800 32.800 31.977 0.824 17579 11745 1 19 . 1 1 30 30 LYS H H 65 7.533 7.533 8.141 -0.608 17579 11746 1 19 . 1 1 31 31 ALA N N 66 120.585 120.585 120.938 -0.353 17579 11747 1 19 . 1 1 31 31 ALA HA H 66 4.049 4.049 4.095 -0.046 17579 11748 1 19 . 1 1 31 31 ALA C C 66 179.745 179.745 178.427 1.318 17579 11749 1 19 . 1 1 31 31 ALA CA C 66 55.288 55.288 54.440 0.848 17579 11750 1 19 . 1 1 31 31 ALA CB C 66 19.207 19.207 18.182 1.025 17579 11751 1 19 . 1 1 31 31 ALA H H 66 7.489 7.489 7.828 -0.339 17579 11752 1 19 . 1 1 32 32 LEU N N 67 119.402 119.402 115.486 3.916 17579 11753 1 19 . 1 1 32 32 LEU HA H 67 3.976 3.976 4.268 -0.292 17579 11754 1 19 . 1 1 32 32 LEU C C 67 180.917 180.917 178.268 2.649 17579 11755 1 19 . 1 1 32 32 LEU CA C 67 58.115 58.115 56.734 1.381 17579 11756 1 19 . 1 1 32 32 LEU CB C 67 42.554 42.554 41.914 0.640 17579 11757 1 19 . 1 1 32 32 LEU H H 67 8.332 8.332 7.504 0.828 17579 11758 1 19 . 1 1 33 33 ARG N N 68 116.408 116.408 119.091 -2.683 17579 11759 1 19 . 1 1 33 33 ARG HA H 68 3.787 3.787 4.135 -0.348 17579 11760 1 19 . 1 1 33 33 ARG C C 68 178.472 178.472 178.010 0.462 17579 11761 1 19 . 1 1 33 33 ARG CA C 68 59.581 59.581 58.270 1.311 17579 11762 1 19 . 1 1 33 33 ARG CB C 68 29.946 29.946 30.788 -0.842 17579 11763 1 19 . 1 1 33 33 ARG H H 68 8.147 8.147 7.951 0.196 17579 11764 1 19 . 1 1 34 34 LYS N N 69 117.866 117.866 117.547 0.319 17579 11765 1 19 . 1 1 34 34 LYS HA H 69 4.232 4.232 4.260 -0.028 17579 11766 1 19 . 1 1 34 34 LYS C C 69 177.005 177.005 177.388 -0.383 17579 11767 1 19 . 1 1 34 34 LYS CA C 69 56.788 56.788 55.688 1.100 17579 11768 1 19 . 1 1 34 34 LYS CB C 69 33.008 33.008 32.205 0.803 17579 11769 1 19 . 1 1 34 34 LYS H H 69 7.606 7.606 8.194 -0.588 17579 11770 1 19 . 1 1 35 35 GLY N N 70 106.799 106.799 106.176 0.623 17579 11771 1 19 . 1 1 35 35 GLY C C 70 175.547 175.547 174.690 0.857 17579 11772 1 19 . 1 1 35 35 GLY CA C 70 45.969 45.969 45.376 0.593 17579 11773 1 19 . 1 1 35 35 GLY H H 70 7.678 7.678 8.284 -0.606 17579 11774 1 19 . 1 1 36 36 GLU N N 71 119.492 119.492 122.291 -2.799 17579 11775 1 19 . 1 1 36 36 GLU HA H 71 4.199 4.199 4.343 -0.144 17579 11776 1 19 . 1 1 36 36 GLU C C 71 175.625 175.625 175.652 -0.027 17579 11777 1 19 . 1 1 36 36 GLU CA C 71 57.696 57.696 54.785 2.911 17579 11778 1 19 . 1 1 36 36 GLU CB C 71 29.620 29.620 27.311 2.309 17579 11779 1 19 . 1 1 36 36 GLU H H 71 7.686 7.686 8.490 -0.804 17579 11780 1 19 . 1 1 37 37 LYS N N 72 118.433 118.433 120.903 -2.470 17579 11781 1 19 . 1 1 37 37 LYS HA H 72 4.863 4.863 4.489 0.374 17579 11782 1 19 . 1 1 37 37 LYS C C 72 175.983 175.983 176.390 -0.407 17579 11783 1 19 . 1 1 37 37 LYS CA C 72 54.299 54.299 54.317 -0.018 17579 11784 1 19 . 1 1 37 37 LYS CB C 72 35.140 35.140 33.906 1.234 17579 11785 1 19 . 1 1 37 37 LYS H H 72 8.202 8.202 7.878 0.324 17579 11786 1 19 . 1 1 38 38 GLY N N 73 104.719 104.719 107.519 -2.800 17579 11787 1 19 . 1 1 38 38 GLY C C 73 172.071 172.071 173.328 -1.257 17579 11788 1 19 . 1 1 38 38 GLY CA C 73 46.798 46.798 45.960 0.838 17579 11789 1 19 . 1 1 38 38 GLY H H 73 7.214 7.214 8.938 -1.724 17579 11790 1 19 . 1 1 39 39 LEU N N 74 125.471 125.471 122.949 2.522 17579 11791 1 19 . 1 1 39 39 LEU HA H 74 4.992 4.992 4.939 0.053 17579 11792 1 19 . 1 1 39 39 LEU C C 74 174.651 174.651 174.660 -0.009 17579 11793 1 19 . 1 1 39 39 LEU CA C 74 54.686 54.686 54.942 -0.256 17579 11794 1 19 . 1 1 39 39 LEU CB C 74 47.360 47.360 45.879 1.481 17579 11795 1 19 . 1 1 39 39 LEU H H 74 8.930 8.930 8.271 0.659 17579 11796 1 19 . 1 1 40 40 VAL N N 75 130.975 130.975 128.664 2.311 17579 11797 1 19 . 1 1 40 40 VAL HA H 75 4.649 4.649 3.915 0.734 17579 11798 1 19 . 1 1 40 40 VAL C C 75 173.868 173.868 175.273 -1.405 17579 11799 1 19 . 1 1 40 40 VAL CA C 75 62.513 62.513 61.806 0.707 17579 11800 1 19 . 1 1 40 40 VAL CB C 75 32.856 32.856 30.878 1.978 17579 11801 1 19 . 1 1 40 40 VAL H H 75 8.549 8.549 8.790 -0.241 17579 11802 1 19 . 1 1 41 41 VAL N N 76 127.452 127.452 128.991 -1.539 17579 11803 1 19 . 1 1 41 41 VAL HA H 76 4.645 4.645 4.735 -0.090 17579 11804 1 19 . 1 1 41 41 VAL C C 76 173.931 173.931 175.422 -1.491 17579 11805 1 19 . 1 1 41 41 VAL CA C 76 61.015 61.015 61.212 -0.198 17579 11806 1 19 . 1 1 41 41 VAL CB C 76 33.844 33.844 31.192 2.652 17579 11807 1 19 . 1 1 41 41 VAL H H 76 8.754 8.754 8.307 0.447 17579 11808 1 19 . 1 1 42 42 ILE N N 77 126.301 126.301 127.094 -0.793 17579 11809 1 19 . 1 1 42 42 ILE HA H 77 4.455 4.455 5.189 -0.734 17579 11810 1 19 . 1 1 42 42 ILE C C 77 174.965 174.965 174.722 0.243 17579 11811 1 19 . 1 1 42 42 ILE CA C 77 59.842 59.842 57.993 1.849 17579 11812 1 19 . 1 1 42 42 ILE CB C 77 40.257 40.257 41.890 -1.633 17579 11813 1 19 . 1 1 42 42 ILE H H 77 8.530 8.530 8.893 -0.363 17579 11814 1 19 . 1 1 43 43 ALA N N 78 128.716 128.716 127.036 1.680 17579 11815 1 19 . 1 1 43 43 ALA HA H 78 4.469 4.469 5.099 -0.630 17579 11816 1 19 . 1 1 43 43 ALA C C 78 177.979 177.979 179.075 -1.096 17579 11817 1 19 . 1 1 43 43 ALA CA C 78 52.398 52.398 50.152 2.246 17579 11818 1 19 . 1 1 43 43 ALA CB C 78 19.600 19.600 19.618 -0.018 17579 11819 1 19 . 1 1 43 43 ALA H H 78 8.538 8.538 8.437 0.101 17579 11820 1 19 . 1 1 44 44 GLY N N 79 104.343 104.343 112.371 -8.028 17579 11821 1 19 . 1 1 44 44 GLY C C 79 173.472 173.472 175.038 -1.566 17579 11822 1 19 . 1 1 44 44 GLY CA C 79 46.239 46.239 46.810 -0.571 17579 11823 1 19 . 1 1 44 44 GLY H H 79 9.090 9.090 9.072 0.018 17579 11824 1 19 . 1 1 45 45 ASP N N 80 118.154 118.154 119.462 -1.308 17579 11825 1 19 . 1 1 45 45 ASP HA H 80 4.855 4.855 4.588 0.267 17579 11826 1 19 . 1 1 45 45 ASP C C 80 176.500 176.500 175.707 0.793 17579 11827 1 19 . 1 1 45 45 ASP CA C 80 52.804 52.804 55.421 -2.617 17579 11828 1 19 . 1 1 45 45 ASP CB C 80 39.410 39.410 41.461 -2.051 17579 11829 1 19 . 1 1 45 45 ASP H H 80 8.603 8.603 8.479 0.124 17579 11830 1 19 . 1 1 46 46 ILE N N 81 118.477 118.477 120.112 -1.635 17579 11831 1 19 . 1 1 46 46 ILE HA H 81 4.073 4.073 4.343 -0.270 17579 11832 1 19 . 1 1 46 46 ILE C C 81 173.822 173.822 173.566 0.256 17579 11833 1 19 . 1 1 46 46 ILE CA C 81 59.882 59.882 61.050 -1.168 17579 11834 1 19 . 1 1 46 46 ILE CB C 81 39.136 39.136 39.918 -0.782 17579 11835 1 19 . 1 1 46 46 ILE H H 81 6.846 6.846 7.727 -0.881 17579 11836 1 19 . 1 1 47 47 SER N N 82 117.552 117.552 121.560 -4.008 17579 11837 1 19 . 1 1 47 47 SER HA H 82 4.628 4.628 4.803 -0.175 17579 11838 1 19 . 1 1 47 47 SER C C 82 176.920 176.920 172.836 4.084 17579 11839 1 19 . 1 1 47 47 SER CA C 82 55.444 55.444 55.197 0.247 17579 11840 1 19 . 1 1 47 47 SER CB C 82 65.268 65.268 64.809 0.459 17579 11841 1 19 . 1 1 47 47 SER H H 82 7.774 7.774 8.205 -0.431 17579 11842 1 19 . 1 1 48 48 PRO HA H 83 4.259 4.259 4.478 -0.219 17579 11843 1 19 . 1 1 48 48 PRO CA C 83 62.312 62.312 62.401 -0.089 17579 11844 1 19 . 1 1 48 48 PRO CB C 83 30.564 30.564 32.265 -1.701 17579 11845 1 19 . 1 1 49 49 ALA N N 84 122.207 122.207 119.432 2.775 17579 11846 1 19 . 1 1 49 49 ALA HA H 84 3.978 3.978 4.143 -0.165 17579 11847 1 19 . 1 1 49 49 ALA C C 84 178.699 178.699 178.275 0.424 17579 11848 1 19 . 1 1 49 49 ALA CA C 84 54.704 54.704 53.749 0.955 17579 11849 1 19 . 1 1 49 49 ALA CB C 84 19.393 19.393 18.513 0.880 17579 11850 1 19 . 1 1 49 49 ALA H H 84 8.091 8.091 8.341 -0.250 17579 11851 1 19 . 1 1 50 50 ASP N N 85 113.440 113.440 118.714 -5.274 17579 11852 1 19 . 1 1 50 50 ASP HA H 85 4.338 4.338 4.265 0.073 17579 11853 1 19 . 1 1 50 50 ASP C C 85 177.723 177.723 177.856 -0.133 17579 11854 1 19 . 1 1 50 50 ASP CA C 85 56.203 56.203 56.720 -0.517 17579 11855 1 19 . 1 1 50 50 ASP CB C 85 40.562 40.562 40.742 -0.180 17579 11856 1 19 . 1 1 50 50 ASP H H 85 8.148 8.148 8.126 0.022 17579 11857 1 19 . 1 1 51 51 VAL N N 86 116.604 116.604 117.805 -1.201 17579 11858 1 19 . 1 1 51 51 VAL HA H 86 3.925 3.925 3.706 0.219 17579 11859 1 19 . 1 1 51 51 VAL C C 86 176.966 176.966 177.472 -0.506 17579 11860 1 19 . 1 1 51 51 VAL CA C 86 65.241 65.241 65.889 -0.648 17579 11861 1 19 . 1 1 51 51 VAL CB C 86 32.467 32.467 30.736 1.731 17579 11862 1 19 . 1 1 51 51 VAL H H 86 7.538 7.538 7.812 -0.274 17579 11863 1 19 . 1 1 52 52 ILE N N 87 108.211 108.211 117.931 -9.720 17579 11864 1 19 . 1 1 52 52 ILE HA H 87 4.565 4.565 3.772 0.793 17579 11865 1 19 . 1 1 52 52 ILE C C 87 178.116 178.116 176.162 1.954 17579 11866 1 19 . 1 1 52 52 ILE CA C 87 60.165 60.165 63.219 -3.054 17579 11867 1 19 . 1 1 52 52 ILE CB C 87 41.048 41.048 37.558 3.490 17579 11868 1 19 . 1 1 52 52 ILE H H 87 7.283 7.283 7.292 -0.009 17579 11869 1 19 . 1 1 53 53 SER N N 88 116.088 116.088 112.876 3.212 17579 11870 1 19 . 1 1 53 53 SER HA H 88 4.538 4.538 4.412 0.126 17579 11871 1 19 . 1 1 53 53 SER CA C 88 61.852 61.852 59.554 2.298 17579 11872 1 19 . 1 1 53 53 SER CB C 88 62.604 62.604 63.469 -0.865 17579 11873 1 19 . 1 1 53 53 SER H H 88 7.845 7.845 7.306 0.539 17579 11874 1 19 . 1 1 54 54 HIS N N 89 121.004 121.004 118.019 2.985 17579 11875 1 19 . 1 1 54 54 HIS HA H 89 4.590 4.590 4.660 -0.070 17579 11876 1 19 . 1 1 54 54 HIS C C 89 176.530 176.530 176.769 -0.239 17579 11877 1 19 . 1 1 54 54 HIS CA C 89 56.554 56.554 56.725 -0.171 17579 11878 1 19 . 1 1 54 54 HIS CB C 89 33.261 33.261 31.175 2.086 17579 11879 1 19 . 1 1 54 54 HIS H H 89 8.450 8.450 7.870 0.580 17579 11880 1 19 . 1 1 55 55 ILE N N 90 123.909 123.909 122.497 1.412 17579 11881 1 19 . 1 1 55 55 ILE HA H 90 4.583 4.583 3.579 1.004 17579 11882 1 19 . 1 1 55 55 ILE CA C 90 62.230 62.230 67.598 -5.368 17579 11883 1 19 . 1 1 55 55 ILE CB C 90 42.418 42.418 35.786 6.632 17579 11884 1 19 . 1 1 55 55 ILE H H 90 8.142 8.142 8.407 -0.265 17579 11885 1 19 . 1 1 56 56 PRO HA H 91 2.974 2.974 4.288 -1.314 17579 11886 1 19 . 1 1 56 56 PRO C C 91 177.132 177.132 178.631 -1.499 17579 11887 1 19 . 1 1 56 56 PRO CA C 91 66.917 66.917 66.019 0.898 17579 11888 1 19 . 1 1 56 56 PRO CB C 91 31.519 31.519 31.025 0.494 17579 11889 1 19 . 1 1 57 57 VAL N N 92 114.761 114.761 119.187 -4.426 17579 11890 1 19 . 1 1 57 57 VAL HA H 92 3.570 3.570 3.822 -0.252 17579 11891 1 19 . 1 1 57 57 VAL C C 92 177.995 177.995 177.911 0.084 17579 11892 1 19 . 1 1 57 57 VAL CA C 92 66.358 66.358 66.034 0.324 17579 11893 1 19 . 1 1 57 57 VAL CB C 92 31.694 31.694 31.442 0.252 17579 11894 1 19 . 1 1 57 57 VAL H H 92 6.505 6.505 7.520 -1.015 17579 11895 1 19 . 1 1 58 58 LEU N N 93 120.572 120.572 119.031 1.541 17579 11896 1 19 . 1 1 58 58 LEU HA H 93 4.200 4.200 4.208 -0.008 17579 11897 1 19 . 1 1 58 58 LEU C C 93 180.452 180.452 178.813 1.639 17579 11898 1 19 . 1 1 58 58 LEU CA C 93 57.938 57.938 58.281 -0.343 17579 11899 1 19 . 1 1 58 58 LEU CB C 93 43.394 43.394 41.100 2.294 17579 11900 1 19 . 1 1 58 58 LEU H H 93 7.432 7.432 8.321 -0.889 17579 11901 1 19 . 1 1 59 59 CYS N N 94 117.330 117.330 118.466 -1.136 17579 11902 1 19 . 1 1 59 59 CYS HA H 94 3.827 3.827 4.272 -0.445 17579 11903 1 19 . 1 1 59 59 CYS C C 94 177.986 177.986 176.902 1.084 17579 11904 1 19 . 1 1 59 59 CYS CA C 94 65.483 65.483 62.405 3.078 17579 11905 1 19 . 1 1 59 59 CYS CB C 94 26.552 26.552 27.579 -1.028 17579 11906 1 19 . 1 1 59 59 CYS H H 94 8.423 8.423 8.119 0.304 17579 11907 1 19 . 1 1 60 60 GLU N N 95 120.766 120.766 119.420 1.346 17579 11908 1 19 . 1 1 60 60 GLU HA H 95 3.512 3.512 4.128 -0.616 17579 11909 1 19 . 1 1 60 60 GLU C C 95 180.736 180.736 177.330 3.406 17579 11910 1 19 . 1 1 60 60 GLU CA C 95 59.909 59.909 58.466 1.443 17579 11911 1 19 . 1 1 60 60 GLU CB C 95 29.108 29.108 29.808 -0.701 17579 11912 1 19 . 1 1 60 60 GLU H H 95 8.237 8.237 7.877 0.360 17579 11913 1 19 . 1 1 61 61 ASP N N 96 120.591 120.591 118.906 1.685 17579 11914 1 19 . 1 1 61 61 ASP HA H 96 4.311 4.311 4.410 -0.099 17579 11915 1 19 . 1 1 61 61 ASP C C 96 178.004 178.004 177.476 0.528 17579 11916 1 19 . 1 1 61 61 ASP CA C 96 57.549 57.549 56.142 1.407 17579 11917 1 19 . 1 1 61 61 ASP CB C 96 41.083 41.083 41.362 -0.279 17579 11918 1 19 . 1 1 61 61 ASP H H 96 8.345 8.345 7.883 0.463 17579 11919 1 19 . 1 1 62 62 HIS N N 97 115.844 115.844 115.351 0.493 17579 11920 1 19 . 1 1 62 62 HIS HA H 97 4.575 4.575 4.817 -0.242 17579 11921 1 19 . 1 1 62 62 HIS C C 97 173.728 173.728 174.510 -0.782 17579 11922 1 19 . 1 1 62 62 HIS CA C 97 57.418 57.418 56.317 1.101 17579 11923 1 19 . 1 1 62 62 HIS CB C 97 30.067 30.067 32.597 -2.530 17579 11924 1 19 . 1 1 62 62 HIS H H 97 7.663 7.663 7.876 -0.213 17579 11925 1 19 . 1 1 63 63 SER N N 98 114.813 114.813 114.816 -0.003 17579 11926 1 19 . 1 1 63 63 SER HA H 98 4.097 4.097 4.251 -0.154 17579 11927 1 19 . 1 1 63 63 SER C C 98 173.789 173.789 173.533 0.256 17579 11928 1 19 . 1 1 63 63 SER CA C 98 59.255 59.255 58.904 0.351 17579 11929 1 19 . 1 1 63 63 SER CB C 98 61.602 61.602 62.438 -0.836 17579 11930 1 19 . 1 1 63 63 SER H H 98 7.861 7.861 8.099 -0.238 17579 11931 1 19 . 1 1 64 64 VAL N N 99 123.227 123.227 124.004 -0.777 17579 11932 1 19 . 1 1 64 64 VAL HA H 99 4.157 4.157 4.543 -0.386 17579 11933 1 19 . 1 1 64 64 VAL C C 99 174.345 174.345 174.609 -0.264 17579 11934 1 19 . 1 1 64 64 VAL CA C 99 58.923 58.923 59.525 -0.602 17579 11935 1 19 . 1 1 64 64 VAL CB C 99 35.133 35.133 34.010 1.123 17579 11936 1 19 . 1 1 64 64 VAL H H 99 8.603 8.603 7.921 0.682 17579 11937 1 19 . 1 1 65 65 PRO HA H 100 4.260 4.260 4.473 -0.213 17579 11938 1 19 . 1 1 65 65 PRO C C 100 173.335 173.335 175.167 -1.832 17579 11939 1 19 . 1 1 65 65 PRO CA C 100 63.165 63.165 63.025 0.140 17579 11940 1 19 . 1 1 65 65 PRO CB C 100 32.083 32.083 29.609 2.474 17579 11941 1 19 . 1 1 66 66 TYR N N 101 114.840 114.840 124.286 -9.446 17579 11942 1 19 . 1 1 66 66 TYR HA H 101 5.900 5.900 4.761 1.139 17579 11943 1 19 . 1 1 66 66 TYR C C 101 170.503 170.503 173.562 -3.059 17579 11944 1 19 . 1 1 66 66 TYR CA C 101 53.986 53.986 56.577 -2.591 17579 11945 1 19 . 1 1 66 66 TYR CB C 101 41.998 41.998 40.862 1.136 17579 11946 1 19 . 1 1 66 66 TYR H H 101 6.219 6.219 8.028 -1.809 17579 11947 1 19 . 1 1 67 67 ILE N N 102 112.118 112.118 127.884 -15.766 17579 11948 1 19 . 1 1 67 67 ILE HA H 102 4.488 4.488 4.185 0.303 17579 11949 1 19 . 1 1 67 67 ILE C C 102 171.963 171.963 173.222 -1.259 17579 11950 1 19 . 1 1 67 67 ILE CA C 102 55.343 55.343 58.891 -3.547 17579 11951 1 19 . 1 1 67 67 ILE CB C 102 43.317 43.317 41.733 1.584 17579 11952 1 19 . 1 1 67 67 ILE H H 102 7.954 7.954 8.775 -0.821 17579 11953 1 19 . 1 1 68 68 PHE N N 103 122.272 122.272 124.309 -2.037 17579 11954 1 19 . 1 1 68 68 PHE HA H 103 5.945 5.945 5.734 0.211 17579 11955 1 19 . 1 1 68 68 PHE C C 103 176.374 176.374 173.412 2.962 17579 11956 1 19 . 1 1 68 68 PHE CA C 103 56.520 56.520 54.326 2.194 17579 11957 1 19 . 1 1 68 68 PHE CB C 103 40.518 40.518 42.511 -1.993 17579 11958 1 19 . 1 1 68 68 PHE H H 103 8.087 8.087 7.995 0.092 17579 11959 1 19 . 1 1 69 69 ILE N N 104 114.672 114.672 115.576 -0.904 17579 11960 1 19 . 1 1 69 69 ILE HA H 104 2.991 2.991 4.425 -1.434 17579 11961 1 19 . 1 1 69 69 ILE C C 104 175.387 175.387 173.406 1.981 17579 11962 1 19 . 1 1 69 69 ILE CA C 104 57.903 57.903 57.355 0.548 17579 11963 1 19 . 1 1 69 69 ILE CB C 104 38.207 38.207 40.806 -2.599 17579 11964 1 19 . 1 1 69 69 ILE H H 104 8.847 8.847 8.934 -0.087 17579 11965 1 19 . 1 1 70 70 PRO HA H 105 3.918 3.918 4.613 -0.695 17579 11966 1 19 . 1 1 70 70 PRO C C 105 177.442 177.442 175.690 1.752 17579 11967 1 19 . 1 1 70 70 PRO CA C 105 64.823 64.823 63.267 1.556 17579 11968 1 19 . 1 1 70 70 PRO CB C 105 35.906 35.906 29.710 6.196 17579 11969 1 19 . 1 1 71 71 SER N N 106 113.113 113.113 117.036 -3.923 17579 11970 1 19 . 1 1 71 71 SER HA H 106 4.261 4.261 4.823 -0.562 17579 11971 1 19 . 1 1 71 71 SER C C 106 175.111 175.111 174.846 0.265 17579 11972 1 19 . 1 1 71 71 SER CA C 106 60.111 60.111 57.329 2.782 17579 11973 1 19 . 1 1 71 71 SER CB C 106 63.687 63.687 64.438 -0.750 17579 11974 1 19 . 1 1 71 71 SER H H 106 7.904 7.904 8.299 -0.395 17579 11975 1 19 . 1 1 72 72 LYS N N 107 119.830 119.830 128.228 -8.398 17579 11976 1 19 . 1 1 72 72 LYS HA H 107 4.187 4.187 3.978 0.209 17579 11977 1 19 . 1 1 72 72 LYS CA C 107 58.783 58.783 59.791 -1.008 17579 11978 1 19 . 1 1 72 72 LYS CB C 107 30.951 30.951 32.225 -1.274 17579 11979 1 19 . 1 1 72 72 LYS H H 107 8.314 8.314 8.564 -0.250 17579 11980 1 19 . 1 1 73 73 GLN N N 108 123.860 123.860 119.323 4.537 17579 11981 1 19 . 1 1 73 73 GLN HA H 108 4.001 4.001 4.132 -0.131 17579 11982 1 19 . 1 1 73 73 GLN CA C 108 58.831 58.831 58.669 0.162 17579 11983 1 19 . 1 1 73 73 GLN CB C 108 28.451 28.451 27.732 0.719 17579 11984 1 19 . 1 1 73 73 GLN H H 108 8.510 8.510 8.338 0.172 17579 11985 1 19 . 1 1 74 74 ASP N N 109 121.145 121.145 121.397 -0.252 17579 11986 1 19 . 1 1 74 74 ASP HA H 109 4.389 4.389 4.371 0.018 17579 11987 1 19 . 1 1 74 74 ASP C C 109 178.552 178.552 178.825 -0.273 17579 11988 1 19 . 1 1 74 74 ASP H H 109 7.966 7.966 7.853 0.113 17579 11989 1 19 . 1 1 75 75 LEU N N 110 121.098 121.098 120.915 0.183 17579 11990 1 19 . 1 1 75 75 LEU HA H 110 3.955 3.955 4.113 -0.158 17579 11991 1 19 . 1 1 75 75 LEU C C 110 178.953 178.953 178.902 0.051 17579 11992 1 19 . 1 1 75 75 LEU CA C 110 56.538 56.538 58.165 -1.627 17579 11993 1 19 . 1 1 75 75 LEU CB C 110 40.845 40.845 41.397 -0.552 17579 11994 1 19 . 1 1 75 75 LEU H H 110 7.932 7.932 8.242 -0.310 17579 11995 1 19 . 1 1 76 76 GLY N N 111 105.659 105.659 106.511 -0.852 17579 11996 1 19 . 1 1 76 76 GLY C C 111 175.510 175.510 175.665 -0.155 17579 11997 1 19 . 1 1 76 76 GLY CA C 111 47.037 47.037 47.303 -0.267 17579 11998 1 19 . 1 1 76 76 GLY H H 111 8.006 8.006 8.417 -0.411 17579 11999 1 19 . 1 1 77 77 ALA N N 112 122.987 122.987 124.103 -1.116 17579 12000 1 19 . 1 1 77 77 ALA HA H 112 4.112 4.112 4.149 -0.037 17579 12001 1 19 . 1 1 77 77 ALA C C 112 179.350 179.350 179.676 -0.326 17579 12002 1 19 . 1 1 77 77 ALA CA C 112 53.930 53.930 54.600 -0.670 17579 12003 1 19 . 1 1 77 77 ALA CB C 112 18.727 18.727 18.292 0.435 17579 12004 1 19 . 1 1 77 77 ALA H H 112 7.824 7.824 8.155 -0.331 17579 12005 1 19 . 1 1 78 78 ALA N N 113 121.466 121.466 121.313 0.153 17579 12006 1 19 . 1 1 78 78 ALA HA H 113 4.189 4.189 4.077 0.112 17579 12007 1 19 . 1 1 78 78 ALA C C 113 177.368 177.368 179.139 -1.771 17579 12008 1 19 . 1 1 78 78 ALA CA C 113 53.750 53.750 54.438 -0.688 17579 12009 1 19 . 1 1 78 78 ALA CB C 113 19.231 19.231 18.848 0.383 17579 12010 1 19 . 1 1 78 78 ALA H H 113 7.785 7.785 7.835 -0.050 17579 12011 1 19 . 1 1 79 79 GLY N N 114 104.016 104.016 107.032 -3.016 17579 12012 1 19 . 1 1 79 79 GLY CA C 114 45.256 45.256 45.397 -0.141 17579 12013 1 19 . 1 1 79 79 GLY H H 114 7.742 7.742 8.065 -0.323 17579 12014 1 19 . 1 1 80 80 ALA HA H 115 4.100 4.100 4.573 -0.473 17579 12015 1 19 . 1 1 80 80 ALA C C 115 176.526 176.526 177.146 -0.620 17579 12016 1 19 . 1 1 80 80 ALA CA C 115 53.482 53.482 51.948 1.534 17579 12017 1 19 . 1 1 80 80 ALA CB C 115 19.825 19.825 19.707 0.118 17579 12018 1 19 . 1 1 81 81 THR N N 116 116.236 116.236 119.101 -2.865 17579 12019 1 19 . 1 1 81 81 THR HA H 116 4.718 4.718 4.022 0.696 17579 12020 1 19 . 1 1 81 81 THR CA C 116 57.275 57.275 65.260 -7.985 17579 12021 1 19 . 1 1 81 81 THR CB C 116 64.878 64.878 68.963 -4.085 17579 12022 1 19 . 1 1 81 81 THR H H 116 8.068 8.068 8.758 -0.690 17579 12023 1 19 . 1 1 84 84 PRO HA H 119 4.072 4.072 4.498 -0.426 17579 12024 1 19 . 1 1 84 84 PRO CB C 119 32.154 32.154 31.682 0.472 17579 12025 1 19 . 1 1 85 85 THR N N 120 119.680 119.680 116.974 2.706 17579 12026 1 19 . 1 1 85 85 THR C C 120 175.333 175.333 173.582 1.751 17579 12027 1 19 . 1 1 85 85 THR CB C 120 71.769 71.769 70.886 0.883 17579 12028 1 19 . 1 1 85 85 THR H H 120 8.002 8.002 7.999 0.003 17579 12029 1 19 . 1 1 86 86 SER N N 121 115.589 115.589 114.758 0.831 17579 12030 1 19 . 1 1 86 86 SER HA H 121 4.325 4.325 4.640 -0.315 17579 12031 1 19 . 1 1 86 86 SER C C 121 172.929 172.929 173.525 -0.596 17579 12032 1 19 . 1 1 86 86 SER CA C 121 59.722 59.722 58.629 1.093 17579 12033 1 19 . 1 1 86 86 SER CB C 121 64.608 64.608 64.753 -0.145 17579 12034 1 19 . 1 1 86 86 SER H H 121 7.335 7.335 8.341 -1.006 17579 12035 1 19 . 1 1 87 87 VAL N N 122 116.044 116.044 118.076 -2.032 17579 12036 1 19 . 1 1 87 87 VAL HA H 122 5.200 5.200 4.894 0.306 17579 12037 1 19 . 1 1 87 87 VAL C C 122 172.465 172.465 174.046 -1.581 17579 12038 1 19 . 1 1 87 87 VAL CA C 122 59.819 59.819 61.020 -1.200 17579 12039 1 19 . 1 1 87 87 VAL CB C 122 33.368 33.368 33.526 -0.158 17579 12040 1 19 . 1 1 87 87 VAL H H 122 7.152 7.152 7.372 -0.220 17579 12041 1 19 . 1 1 88 88 VAL N N 123 119.350 119.350 123.139 -3.789 17579 12042 1 19 . 1 1 88 88 VAL HA H 123 5.091 5.091 4.540 0.551 17579 12043 1 19 . 1 1 88 88 VAL C C 123 173.214 173.214 174.086 -0.872 17579 12044 1 19 . 1 1 88 88 VAL CA C 123 59.219 59.219 60.890 -1.671 17579 12045 1 19 . 1 1 88 88 VAL CB C 123 36.362 36.362 36.501 -0.139 17579 12046 1 19 . 1 1 88 88 VAL H H 123 8.851 8.851 8.576 0.275 17579 12047 1 19 . 1 1 89 89 PHE N N 124 122.568 122.568 124.406 -1.838 17579 12048 1 19 . 1 1 89 89 PHE HA H 124 5.613 5.613 5.247 0.366 17579 12049 1 19 . 1 1 89 89 PHE C C 124 174.887 174.887 174.898 -0.011 17579 12050 1 19 . 1 1 89 89 PHE CA C 124 52.961 52.961 56.402 -3.441 17579 12051 1 19 . 1 1 89 89 PHE CB C 124 42.788 42.788 42.860 -0.072 17579 12052 1 19 . 1 1 89 89 PHE H H 124 9.051 9.051 9.177 -0.126 17579 12053 1 19 . 1 1 90 90 ILE N N 125 127.707 127.707 127.387 0.320 17579 12054 1 19 . 1 1 90 90 ILE HA H 125 4.264 4.264 4.336 -0.072 17579 12055 1 19 . 1 1 90 90 ILE C C 125 173.870 173.870 175.543 -1.673 17579 12056 1 19 . 1 1 90 90 ILE CA C 125 61.789 61.789 59.535 2.254 17579 12057 1 19 . 1 1 90 90 ILE CB C 125 39.785 39.785 37.902 1.883 17579 12058 1 19 . 1 1 90 90 ILE H H 125 9.477 9.477 9.385 0.092 17579 12059 1 19 . 1 1 91 91 VAL N N 126 126.579 126.579 122.056 4.523 17579 12060 1 19 . 1 1 91 91 VAL HA H 126 4.566 4.566 4.736 -0.170 17579 12061 1 19 . 1 1 91 91 VAL C C 126 173.829 173.829 173.666 0.163 17579 12062 1 19 . 1 1 91 91 VAL CA C 126 58.701 58.701 58.182 0.519 17579 12063 1 19 . 1 1 91 91 VAL CB C 126 32.989 32.989 34.225 -1.236 17579 12064 1 19 . 1 1 91 91 VAL H H 126 8.149 8.149 8.383 -0.234 17579 12065 1 19 . 1 1 92 92 PRO HA H 127 4.035 4.035 4.539 -0.504 17579 12066 1 19 . 1 1 92 92 PRO C C 127 177.766 177.766 178.098 -0.332 17579 12067 1 19 . 1 1 92 92 PRO CA C 127 63.684 63.684 62.430 1.254 17579 12068 1 19 . 1 1 92 92 PRO CB C 127 32.178 32.178 32.395 -0.216 17579 12069 1 19 . 1 1 93 93 GLY N N 128 108.618 108.618 112.977 -4.359 17579 12070 1 19 . 1 1 93 93 GLY CA C 128 45.787 45.787 46.179 -0.392 17579 12071 1 19 . 1 1 93 93 GLY H H 128 7.970 7.970 8.693 -0.723 17579 12072 1 19 . 1 1 94 94 SER N N 129 113.620 113.620 112.908 0.712 17579 12073 1 19 . 1 1 94 94 SER HA H 129 4.317 4.317 4.472 -0.155 17579 12074 1 19 . 1 1 94 94 SER C C 129 180.379 180.379 173.607 6.772 17579 12075 1 19 . 1 1 94 94 SER CA C 129 58.566 58.566 57.134 1.432 17579 12076 1 19 . 1 1 94 94 SER H H 129 7.952 7.952 7.681 0.271 17579 12077 1 19 . 1 1 95 95 ASN N N 130 120.775 120.775 121.134 -0.359 17579 12078 1 19 . 1 1 95 95 ASN HA H 130 3.964 3.964 4.505 -0.541 17579 12079 1 19 . 1 1 95 95 ASN C C 130 178.664 178.664 176.442 2.222 17579 12080 1 19 . 1 1 95 95 ASN CA C 130 57.689 57.689 55.871 1.818 17579 12081 1 19 . 1 1 95 95 ASN CB C 130 42.288 42.288 38.101 4.187 17579 12082 1 19 . 1 1 95 95 ASN H H 130 8.300 8.300 8.890 -0.590 17579 12083 1 19 . 1 1 96 96 LYS N N 131 119.316 119.316 118.792 0.524 17579 12084 1 19 . 1 1 96 96 LYS HA H 131 4.095 4.095 4.290 -0.195 17579 12085 1 19 . 1 1 96 96 LYS C C 131 178.290 178.290 178.437 -0.147 17579 12086 1 19 . 1 1 96 96 LYS CA C 131 59.062 59.062 57.854 1.208 17579 12087 1 19 . 1 1 96 96 LYS CB C 131 29.745 29.745 32.343 -2.598 17579 12088 1 19 . 1 1 96 96 LYS H H 131 7.896 7.896 8.211 -0.315 17579 12089 1 19 . 1 1 97 97 LYS N N 132 117.523 117.523 121.154 -3.631 17579 12090 1 19 . 1 1 97 97 LYS C C 132 176.927 176.927 178.329 -1.402 17579 12091 1 19 . 1 1 97 97 LYS CA C 132 58.555 58.555 58.229 0.326 17579 12092 1 19 . 1 1 97 97 LYS CB C 132 30.578 30.578 31.892 -1.314 17579 12093 1 19 . 1 1 97 97 LYS H H 132 7.791 7.791 8.143 -0.352 17579 12094 1 19 . 1 1 98 98 LYS HA H 133 4.236 4.236 4.299 -0.063 17579 12095 1 19 . 1 1 98 98 LYS C C 133 176.606 176.606 176.589 0.017 17579 12096 1 19 . 1 1 98 98 LYS CA C 133 57.225 57.225 55.825 1.400 17579 12097 1 19 . 1 1 98 98 LYS CB C 133 33.151 33.151 32.149 1.002 17579 12098 1 19 . 1 1 99 99 ASP N N 134 120.311 120.311 118.401 1.910 17579 12099 1 19 . 1 1 99 99 ASP HA H 134 4.584 4.584 4.639 -0.055 17579 12100 1 19 . 1 1 99 99 ASP C C 134 176.899 176.899 177.071 -0.172 17579 12101 1 19 . 1 1 99 99 ASP CA C 134 54.402 54.402 53.142 1.260 17579 12102 1 19 . 1 1 99 99 ASP CB C 134 41.568 41.568 40.362 1.206 17579 12103 1 19 . 1 1 99 99 ASP H H 134 8.267 8.267 7.688 0.579 17579 12104 1 19 . 1 1 100 100 GLY N N 135 108.751 108.751 108.391 0.360 17579 12105 1 19 . 1 1 100 100 GLY C C 135 174.683 174.683 174.611 0.072 17579 12106 1 19 . 1 1 100 100 GLY CA C 135 45.985 45.985 45.613 0.372 17579 12107 1 19 . 1 1 100 100 GLY H H 135 8.235 8.235 7.652 0.583 17579 12108 1 19 . 1 1 101 101 LYS N N 136 120.306 120.306 120.713 -0.407 17579 12109 1 19 . 1 1 101 101 LYS HA H 136 4.279 4.279 4.220 0.059 17579 12110 1 19 . 1 1 101 101 LYS C C 136 175.145 175.145 177.436 -2.291 17579 12111 1 19 . 1 1 101 101 LYS CA C 136 56.875 56.875 57.517 -0.642 17579 12112 1 19 . 1 1 101 101 LYS CB C 136 32.987 32.987 32.736 0.251 17579 12113 1 19 . 1 1 101 101 LYS H H 136 8.148 8.148 8.004 0.144 17579 12114 1 19 . 1 1 102 102 ASN N N 137 118.958 118.958 115.128 3.830 17579 12115 1 19 . 1 1 102 102 ASN HA H 137 4.707 4.707 4.770 -0.063 17579 12116 1 19 . 1 1 102 102 ASN C C 137 175.849 175.849 176.167 -0.318 17579 12117 1 19 . 1 1 102 102 ASN CA C 137 53.816 53.816 53.727 0.089 17579 12118 1 19 . 1 1 102 102 ASN CB C 137 39.070 39.070 39.290 -0.220 17579 12119 1 19 . 1 1 102 102 ASN H H 137 8.406 8.406 8.284 0.122 17579 12120 1 19 . 1 1 103 103 LYS N N 138 121.782 121.782 121.281 0.501 17579 12121 1 19 . 1 1 103 103 LYS HA H 138 4.255 4.255 4.098 0.157 17579 12122 1 19 . 1 1 103 103 LYS CA C 138 56.641 56.641 59.515 -2.874 17579 12123 1 19 . 1 1 103 103 LYS CB C 138 32.911 32.911 32.496 0.415 17579 12124 1 19 . 1 1 103 103 LYS H H 138 8.316 8.316 8.435 -0.119 17579 12125 1 19 . 1 1 104 104 GLU N N 139 121.053 121.053 118.216 2.837 17579 12126 1 19 . 1 1 104 104 GLU CA C 139 57.449 57.449 59.722 -2.273 17579 12127 1 19 . 1 1 104 104 GLU CB C 139 29.983 29.983 28.521 1.462 17579 12128 1 19 . 1 1 104 104 GLU H H 139 8.459 8.459 8.738 -0.279 17579 12129 1 19 . 1 1 106 106 GLU N N 141 122.191 122.191 120.093 2.098 17579 12130 1 19 . 1 1 106 106 GLU HA H 141 4.268 4.268 4.256 0.012 17579 12131 1 19 . 1 1 106 106 GLU CA C 141 64.025 64.025 59.045 4.980 17579 12132 1 19 . 1 1 106 106 GLU CB C 141 32.117 32.117 29.677 2.440 17579 12133 1 19 . 1 1 106 106 GLU H H 141 8.291 8.291 7.698 0.593 17579 12134 1 19 . 1 1 107 107 TYR N N 142 115.802 115.802 122.014 -6.212 17579 12135 1 19 . 1 1 107 107 TYR HA H 142 4.996 4.996 4.027 0.969 17579 12136 1 19 . 1 1 107 107 TYR C C 142 175.381 175.381 177.312 -1.931 17579 12137 1 19 . 1 1 107 107 TYR CA C 142 57.581 57.581 60.505 -2.924 17579 12138 1 19 . 1 1 107 107 TYR CB C 142 39.533 39.533 38.276 1.257 17579 12139 1 19 . 1 1 107 107 TYR H H 142 7.344 7.344 8.833 -1.489 17579 12140 1 19 . 1 1 108 108 LYS N N 143 123.473 123.473 118.937 4.536 17579 12141 1 19 . 1 1 108 108 LYS HA H 143 3.628 3.628 3.273 0.355 17579 12142 1 19 . 1 1 108 108 LYS C C 143 177.659 177.659 178.571 -0.912 17579 12143 1 19 . 1 1 108 108 LYS CA C 143 59.988 59.988 58.953 1.035 17579 12144 1 19 . 1 1 108 108 LYS CB C 143 32.294 32.294 31.775 0.519 17579 12145 1 19 . 1 1 108 108 LYS H H 143 7.376 7.376 7.797 -0.421 17579 12146 1 19 . 1 1 109 109 GLU N N 144 118.799 118.799 118.952 -0.153 17579 12147 1 19 . 1 1 109 109 GLU HA H 144 4.048 4.048 3.897 0.151 17579 12148 1 19 . 1 1 109 109 GLU C C 144 179.583 179.583 178.651 0.932 17579 12149 1 19 . 1 1 109 109 GLU CA C 144 60.200 60.200 60.003 0.197 17579 12150 1 19 . 1 1 109 109 GLU CB C 144 29.237 29.237 29.459 -0.222 17579 12151 1 19 . 1 1 109 109 GLU H H 144 8.558 8.558 8.124 0.434 17579 12152 1 19 . 1 1 110 110 SER N N 145 116.121 116.121 114.436 1.685 17579 12153 1 19 . 1 1 110 110 SER HA H 145 4.319 4.319 4.212 0.107 17579 12154 1 19 . 1 1 110 110 SER C C 145 176.522 176.522 176.765 -0.243 17579 12155 1 19 . 1 1 110 110 SER CA C 145 61.990 61.990 60.785 1.205 17579 12156 1 19 . 1 1 110 110 SER CB C 145 63.293 63.293 63.062 0.231 17579 12157 1 19 . 1 1 110 110 SER H H 145 8.094 8.094 7.926 0.168 17579 12158 1 19 . 1 1 111 111 PHE N N 146 122.311 122.311 122.721 -0.410 17579 12159 1 19 . 1 1 111 111 PHE HA H 146 4.021 4.021 4.116 -0.095 17579 12160 1 19 . 1 1 111 111 PHE C C 146 176.001 176.001 176.812 -0.811 17579 12161 1 19 . 1 1 111 111 PHE CA C 146 62.504 62.504 61.388 1.116 17579 12162 1 19 . 1 1 111 111 PHE CB C 146 39.861 39.861 38.846 1.015 17579 12163 1 19 . 1 1 111 111 PHE H H 146 8.536 8.536 8.240 0.296 17579 12164 1 19 . 1 1 112 112 ASN N N 147 117.908 117.908 117.021 0.887 17579 12165 1 19 . 1 1 112 112 ASN HA H 147 4.252 4.252 4.213 0.039 17579 12166 1 19 . 1 1 112 112 ASN C C 147 178.315 178.315 177.444 0.871 17579 12167 1 19 . 1 1 112 112 ASN CA C 147 56.226 56.226 56.559 -0.332 17579 12168 1 19 . 1 1 112 112 ASN CB C 147 37.990 37.990 38.503 -0.513 17579 12169 1 19 . 1 1 112 112 ASN H H 147 8.795 8.795 8.645 0.150 17579 12170 1 19 . 1 1 113 113 GLU N N 148 119.868 119.868 120.489 -0.621 17579 12171 1 19 . 1 1 113 113 GLU HA H 148 4.024 4.024 4.011 0.013 17579 12172 1 19 . 1 1 113 113 GLU C C 148 179.410 179.410 178.833 0.577 17579 12173 1 19 . 1 1 113 113 GLU CA C 148 59.710 59.710 59.427 0.283 17579 12174 1 19 . 1 1 113 113 GLU CB C 148 30.063 30.063 29.411 0.652 17579 12175 1 19 . 1 1 113 113 GLU H H 148 7.764 7.764 7.936 -0.172 17579 12176 1 19 . 1 1 114 114 VAL N N 149 119.684 119.684 117.255 2.429 17579 12177 1 19 . 1 1 114 114 VAL HA H 149 3.544 3.544 3.728 -0.184 17579 12178 1 19 . 1 1 114 114 VAL C C 149 177.613 177.613 177.811 -0.198 17579 12179 1 19 . 1 1 114 114 VAL CA C 149 66.977 66.977 65.181 1.796 17579 12180 1 19 . 1 1 114 114 VAL CB C 149 30.605 30.605 30.836 -0.231 17579 12181 1 19 . 1 1 114 114 VAL H H 149 7.973 7.973 7.778 0.195 17579 12182 1 19 . 1 1 115 115 VAL N N 150 119.782 119.782 121.614 -1.832 17579 12183 1 19 . 1 1 115 115 VAL HA H 150 3.164 3.164 3.304 -0.140 17579 12184 1 19 . 1 1 115 115 VAL C C 150 177.499 177.499 177.780 -0.281 17579 12185 1 19 . 1 1 115 115 VAL CA C 150 68.301 68.301 67.409 0.893 17579 12186 1 19 . 1 1 115 115 VAL CB C 150 31.483 31.483 31.028 0.455 17579 12187 1 19 . 1 1 115 115 VAL H H 150 8.452 8.452 8.379 0.073 17579 12188 1 19 . 1 1 116 116 LYS N N 151 118.842 118.842 118.514 0.328 17579 12189 1 19 . 1 1 116 116 LYS HA H 151 4.024 4.024 3.835 0.189 17579 12190 1 19 . 1 1 116 116 LYS C C 151 179.862 179.862 178.700 1.162 17579 12191 1 19 . 1 1 116 116 LYS CA C 151 59.947 59.947 59.776 0.171 17579 12192 1 19 . 1 1 116 116 LYS CB C 151 32.481 32.481 32.031 0.450 17579 12193 1 19 . 1 1 116 116 LYS H H 151 7.595 7.595 7.774 -0.179 17579 12194 1 19 . 1 1 117 117 GLU N N 152 120.243 120.243 119.744 0.499 17579 12195 1 19 . 1 1 117 117 GLU HA H 152 4.052 4.052 4.005 0.047 17579 12196 1 19 . 1 1 117 117 GLU C C 152 179.528 179.528 179.050 0.478 17579 12197 1 19 . 1 1 117 117 GLU CA C 152 60.178 60.178 59.576 0.602 17579 12198 1 19 . 1 1 117 117 GLU CB C 152 29.949 29.949 29.416 0.533 17579 12199 1 19 . 1 1 117 117 GLU H H 152 7.513 7.513 7.903 -0.390 17579 12200 1 19 . 1 1 118 118 VAL N N 153 120.596 120.596 120.305 0.291 17579 12201 1 19 . 1 1 118 118 VAL HA H 153 3.464 3.464 3.667 -0.203 17579 12202 1 19 . 1 1 118 118 VAL C C 153 177.984 177.984 178.225 -0.241 17579 12203 1 19 . 1 1 118 118 VAL CA C 153 68.047 68.047 65.730 2.317 17579 12204 1 19 . 1 1 118 118 VAL CB C 153 32.056 32.056 31.404 0.652 17579 12205 1 19 . 1 1 118 118 VAL H H 153 8.649 8.649 7.733 0.916 17579 12206 1 19 . 1 1 119 119 GLN N N 154 118.317 118.317 118.851 -0.534 17579 12207 1 19 . 1 1 119 119 GLN HA H 154 3.986 3.986 4.006 -0.020 17579 12208 1 19 . 1 1 119 119 GLN C C 154 178.984 178.984 177.702 1.282 17579 12209 1 19 . 1 1 119 119 GLN CA C 154 59.716 59.716 58.447 1.269 17579 12210 1 19 . 1 1 119 119 GLN CB C 154 28.261 28.261 28.921 -0.660 17579 12211 1 19 . 1 1 119 119 GLN H H 154 8.947 8.947 8.002 0.945 17579 12212 1 19 . 1 1 120 120 ALA N N 155 120.688 120.688 121.080 -0.392 17579 12213 1 19 . 1 1 120 120 ALA HA H 155 3.484 3.484 4.217 -0.733 17579 12214 1 19 . 1 1 120 120 ALA C C 155 180.759 180.759 178.066 2.693 17579 12215 1 19 . 1 1 120 120 ALA CA C 155 55.257 55.257 52.841 2.416 17579 12216 1 19 . 1 1 120 120 ALA CB C 155 18.446 18.446 19.356 -0.910 17579 12217 1 19 . 1 1 120 120 ALA H H 155 7.494 7.494 7.922 -0.428 17579 12218 1 20 . 1 1 2 2 LYS N N 37 124.936 124.936 123.175 1.761 17579 12219 1 20 . 1 1 2 2 LYS HA H 37 4.053 4.053 4.169 -0.116 17579 12220 1 20 . 1 1 2 2 LYS C C 37 172.929 172.929 178.220 -5.291 17579 12221 1 20 . 1 1 2 2 LYS CA C 37 60.975 60.975 58.381 2.594 17579 12222 1 20 . 1 1 2 2 LYS CB C 37 32.607 32.607 32.424 0.183 17579 12223 1 20 . 1 1 2 2 LYS H H 37 7.564 7.564 8.447 -0.883 17579 12224 1 20 . 1 1 3 3 LYS N N 38 118.300 118.300 118.346 -0.046 17579 12225 1 20 . 1 1 3 3 LYS HA H 38 4.045 4.045 4.053 -0.007 17579 12226 1 20 . 1 1 3 3 LYS C C 38 179.361 179.361 177.803 1.558 17579 12227 1 20 . 1 1 3 3 LYS CA C 38 59.930 59.930 58.656 1.274 17579 12228 1 20 . 1 1 3 3 LYS CB C 38 32.885 32.885 31.701 1.184 17579 12229 1 20 . 1 1 3 3 LYS H H 38 8.234 8.234 8.347 -0.113 17579 12230 1 20 . 1 1 4 4 LEU N N 39 122.081 122.081 121.401 0.680 17579 12231 1 20 . 1 1 4 4 LEU HA H 39 4.135 4.135 3.893 0.242 17579 12232 1 20 . 1 1 4 4 LEU C C 39 178.433 178.433 178.079 0.354 17579 12233 1 20 . 1 1 4 4 LEU CA C 39 57.726 57.726 58.399 -0.673 17579 12234 1 20 . 1 1 4 4 LEU CB C 39 40.588 40.588 41.761 -1.173 17579 12235 1 20 . 1 1 4 4 LEU H H 39 7.856 7.856 7.615 0.241 17579 12236 1 20 . 1 1 5 5 ASN N N 40 118.758 118.758 115.977 2.781 17579 12237 1 20 . 1 1 5 5 ASN HA H 40 3.994 3.994 4.340 -0.346 17579 12238 1 20 . 1 1 5 5 ASN C C 40 176.246 176.246 177.384 -1.138 17579 12239 1 20 . 1 1 5 5 ASN CA C 40 57.843 57.843 56.406 1.437 17579 12240 1 20 . 1 1 5 5 ASN CB C 40 40.430 40.430 38.240 2.189 17579 12241 1 20 . 1 1 5 5 ASN H H 40 9.241 9.241 8.126 1.115 17579 12242 1 20 . 1 1 6 6 LYS N N 41 115.665 115.665 120.166 -4.501 17579 12243 1 20 . 1 1 6 6 LYS HA H 41 3.929 3.929 3.965 -0.036 17579 12244 1 20 . 1 1 6 6 LYS C C 41 179.318 179.318 178.969 0.349 17579 12245 1 20 . 1 1 6 6 LYS CA C 41 60.130 60.130 59.233 0.897 17579 12246 1 20 . 1 1 6 6 LYS CB C 41 32.580 32.580 31.913 0.667 17579 12247 1 20 . 1 1 6 6 LYS H H 41 7.239 7.239 7.420 -0.181 17579 12248 1 20 . 1 1 7 7 LYS N N 42 119.038 119.038 119.403 -0.365 17579 12249 1 20 . 1 1 7 7 LYS HA H 42 4.037 4.037 4.059 -0.022 17579 12250 1 20 . 1 1 7 7 LYS C C 42 180.428 180.428 179.277 1.151 17579 12251 1 20 . 1 1 7 7 LYS CA C 42 60.178 60.178 59.240 0.938 17579 12252 1 20 . 1 1 7 7 LYS CB C 42 33.670 33.670 32.295 1.375 17579 12253 1 20 . 1 1 7 7 LYS H H 42 7.358 7.358 8.002 -0.644 17579 12254 1 20 . 1 1 8 8 VAL N N 43 122.489 122.489 119.538 2.951 17579 12255 1 20 . 1 1 8 8 VAL HA H 43 3.263 3.263 3.853 -0.590 17579 12256 1 20 . 1 1 8 8 VAL C C 43 177.823 177.823 178.182 -0.359 17579 12257 1 20 . 1 1 8 8 VAL CA C 43 67.836 67.836 66.114 1.722 17579 12258 1 20 . 1 1 8 8 VAL CB C 43 31.523 31.523 31.147 0.376 17579 12259 1 20 . 1 1 8 8 VAL H H 43 9.167 9.167 8.179 0.988 17579 12260 1 20 . 1 1 9 9 LEU N N 44 119.740 119.740 120.039 -0.299 17579 12261 1 20 . 1 1 9 9 LEU HA H 44 3.964 3.964 4.228 -0.264 17579 12262 1 20 . 1 1 9 9 LEU C C 44 179.700 179.700 179.107 0.593 17579 12263 1 20 . 1 1 9 9 LEU CA C 44 58.742 58.742 58.350 0.392 17579 12264 1 20 . 1 1 9 9 LEU CB C 44 41.239 41.239 41.173 0.066 17579 12265 1 20 . 1 1 9 9 LEU H H 44 8.437 8.437 8.566 -0.129 17579 12266 1 20 . 1 1 10 10 LYS N N 45 119.832 119.832 119.586 0.246 17579 12267 1 20 . 1 1 10 10 LYS HA H 45 4.013 4.013 4.111 -0.098 17579 12268 1 20 . 1 1 10 10 LYS C C 45 178.847 178.847 179.081 -0.234 17579 12269 1 20 . 1 1 10 10 LYS CA C 45 60.146 60.146 59.768 0.378 17579 12270 1 20 . 1 1 10 10 LYS CB C 45 32.583 32.583 32.264 0.319 17579 12271 1 20 . 1 1 10 10 LYS H H 45 7.857 7.857 8.338 -0.481 17579 12272 1 20 . 1 1 11 11 THR N N 46 116.695 116.695 117.642 -0.947 17579 12273 1 20 . 1 1 11 11 THR HA H 46 4.327 4.327 4.012 0.315 17579 12274 1 20 . 1 1 11 11 THR C C 46 176.211 176.211 176.196 0.015 17579 12275 1 20 . 1 1 11 11 THR CA C 46 68.237 68.237 67.520 0.717 17579 12276 1 20 . 1 1 11 11 THR CB C 46 68.312 68.312 68.938 -0.626 17579 12277 1 20 . 1 1 11 11 THR H H 46 7.796 7.796 8.019 -0.223 17579 12278 1 20 . 1 1 12 12 VAL N N 47 122.013 122.013 121.758 0.255 17579 12279 1 20 . 1 1 12 12 VAL HA H 47 3.235 3.235 3.637 -0.402 17579 12280 1 20 . 1 1 12 12 VAL C C 47 177.909 177.909 176.886 1.023 17579 12281 1 20 . 1 1 12 12 VAL CA C 47 67.838 67.838 65.973 1.865 17579 12282 1 20 . 1 1 12 12 VAL CB C 47 31.706 31.706 31.739 -0.033 17579 12283 1 20 . 1 1 12 12 VAL H H 47 8.762 8.762 8.774 -0.012 17579 12284 1 20 . 1 1 13 13 LYS N N 48 118.035 118.035 119.471 -1.436 17579 12285 1 20 . 1 1 13 13 LYS HA H 48 3.828 3.828 4.110 -0.282 17579 12286 1 20 . 1 1 13 13 LYS CA C 48 59.960 59.960 58.986 0.974 17579 12287 1 20 . 1 1 13 13 LYS CB C 48 32.837 32.837 32.108 0.729 17579 12288 1 20 . 1 1 13 13 LYS H H 48 7.492 7.492 7.869 -0.377 17579 12289 1 20 . 1 1 14 14 LYS N N 49 120.565 120.565 117.635 2.930 17579 12290 1 20 . 1 1 14 14 LYS HA H 49 3.952 3.952 4.167 -0.215 17579 12291 1 20 . 1 1 14 14 LYS C C 49 179.608 179.608 178.246 1.362 17579 12292 1 20 . 1 1 14 14 LYS CA C 49 59.950 59.950 58.331 1.619 17579 12293 1 20 . 1 1 14 14 LYS CB C 49 33.723 33.723 32.680 1.043 17579 12294 1 20 . 1 1 14 14 LYS H H 49 7.498 7.498 7.884 -0.386 17579 12295 1 20 . 1 1 15 15 ALA N N 50 122.192 122.192 121.785 0.407 17579 12296 1 20 . 1 1 15 15 ALA HA H 50 3.467 3.467 3.883 -0.416 17579 12297 1 20 . 1 1 15 15 ALA C C 50 179.970 179.970 179.264 0.706 17579 12298 1 20 . 1 1 15 15 ALA CA C 50 54.950 54.950 54.207 0.743 17579 12299 1 20 . 1 1 15 15 ALA CB C 50 19.270 19.270 18.458 0.812 17579 12300 1 20 . 1 1 15 15 ALA H H 50 8.529 8.529 7.945 0.584 17579 12301 1 20 . 1 1 16 16 SER N N 51 116.624 116.624 114.689 1.935 17579 12302 1 20 . 1 1 16 16 SER HA H 51 4.696 4.696 4.107 0.589 17579 12303 1 20 . 1 1 16 16 SER C C 51 178.705 178.705 176.722 1.983 17579 12304 1 20 . 1 1 16 16 SER CA C 51 62.206 62.206 61.353 0.853 17579 12305 1 20 . 1 1 16 16 SER CB C 51 62.918 62.918 62.931 -0.013 17579 12306 1 20 . 1 1 16 16 SER H H 51 8.542 8.542 8.319 0.223 17579 12307 1 20 . 1 1 17 17 LYS N N 52 124.866 124.866 122.110 2.756 17579 12308 1 20 . 1 1 17 17 LYS HA H 52 4.051 4.051 4.042 0.009 17579 12309 1 20 . 1 1 17 17 LYS C C 52 177.563 177.563 177.327 0.236 17579 12310 1 20 . 1 1 17 17 LYS CA C 52 59.290 59.290 57.816 1.474 17579 12311 1 20 . 1 1 17 17 LYS CB C 52 32.104 32.104 31.949 0.155 17579 12312 1 20 . 1 1 17 17 LYS H H 52 7.553 7.553 7.867 -0.314 17579 12313 1 20 . 1 1 18 18 ALA N N 53 118.801 118.801 119.253 -0.452 17579 12314 1 20 . 1 1 18 18 ALA HA H 53 4.280 4.280 4.376 -0.096 17579 12315 1 20 . 1 1 18 18 ALA C C 53 175.253 175.253 176.682 -1.429 17579 12316 1 20 . 1 1 18 18 ALA CA C 53 52.222 52.222 51.672 0.549 17579 12317 1 20 . 1 1 18 18 ALA CB C 53 19.566 19.566 18.691 0.875 17579 12318 1 20 . 1 1 18 18 ALA H H 53 7.092 7.092 7.549 -0.457 17579 12319 1 20 . 1 1 19 19 LYS N N 54 112.119 112.119 116.678 -4.559 17579 12320 1 20 . 1 1 19 19 LYS HA H 54 4.027 4.027 3.951 0.076 17579 12321 1 20 . 1 1 19 19 LYS C C 54 177.191 177.191 176.086 1.105 17579 12322 1 20 . 1 1 19 19 LYS CA C 54 57.435 57.435 57.361 0.074 17579 12323 1 20 . 1 1 19 19 LYS CB C 54 28.420 28.420 30.459 -2.039 17579 12324 1 20 . 1 1 19 19 LYS H H 54 7.644 7.644 7.588 0.056 17579 12325 1 20 . 1 1 20 20 ASN N N 55 116.236 116.236 115.394 0.842 17579 12326 1 20 . 1 1 20 20 ASN HA H 55 5.090 5.090 4.676 0.414 17579 12327 1 20 . 1 1 20 20 ASN C C 55 173.176 173.176 174.843 -1.667 17579 12328 1 20 . 1 1 20 20 ASN CA C 55 51.617 51.617 54.769 -3.152 17579 12329 1 20 . 1 1 20 20 ASN CB C 55 40.642 40.642 39.864 0.778 17579 12330 1 20 . 1 1 20 20 ASN H H 55 8.099 8.099 7.783 0.316 17579 12331 1 20 . 1 1 21 21 VAL N N 56 115.268 115.268 114.849 0.419 17579 12332 1 20 . 1 1 21 21 VAL HA H 56 4.864 4.864 4.299 0.565 17579 12333 1 20 . 1 1 21 21 VAL C C 56 175.526 175.526 174.845 0.681 17579 12334 1 20 . 1 1 21 21 VAL CA C 56 61.314 61.314 61.592 -0.278 17579 12335 1 20 . 1 1 21 21 VAL CB C 56 35.532 35.532 32.080 3.452 17579 12336 1 20 . 1 1 21 21 VAL H H 56 7.621 7.621 7.614 0.007 17579 12337 1 20 . 1 1 22 22 LYS N N 57 126.903 126.903 128.148 -1.245 17579 12338 1 20 . 1 1 22 22 LYS HA H 57 4.682 4.682 4.737 -0.055 17579 12339 1 20 . 1 1 22 22 LYS C C 57 175.564 175.564 175.505 0.059 17579 12340 1 20 . 1 1 22 22 LYS CA C 57 54.694 54.694 54.925 -0.231 17579 12341 1 20 . 1 1 22 22 LYS CB C 57 33.975 33.975 34.176 -0.201 17579 12342 1 20 . 1 1 22 22 LYS H H 57 9.006 9.006 8.404 0.602 17579 12343 1 20 . 1 1 23 23 ARG N N 58 122.053 122.053 123.534 -1.481 17579 12344 1 20 . 1 1 23 23 ARG HA H 58 4.850 4.850 4.480 0.370 17579 12345 1 20 . 1 1 23 23 ARG C C 58 176.136 176.136 176.540 -0.404 17579 12346 1 20 . 1 1 23 23 ARG CA C 58 56.100 56.100 55.236 0.864 17579 12347 1 20 . 1 1 23 23 ARG CB C 58 33.752 33.752 31.510 2.242 17579 12348 1 20 . 1 1 23 23 ARG H H 58 8.994 8.994 8.906 0.088 17579 12349 1 20 . 1 1 24 24 GLY N N 59 110.836 110.836 108.342 2.494 17579 12350 1 20 . 1 1 24 24 GLY C C 59 173.053 173.053 174.643 -1.590 17579 12351 1 20 . 1 1 24 24 GLY CA C 59 45.028 45.028 44.332 0.696 17579 12352 1 20 . 1 1 24 24 GLY H H 59 8.205 8.205 8.214 -0.009 17579 12353 1 20 . 1 1 25 25 VAL N N 60 119.573 119.573 119.689 -0.116 17579 12354 1 20 . 1 1 25 25 VAL HA H 60 4.117 4.117 3.715 0.402 17579 12355 1 20 . 1 1 25 25 VAL C C 60 176.366 176.366 177.030 -0.664 17579 12356 1 20 . 1 1 25 25 VAL CA C 60 67.542 67.542 65.394 2.148 17579 12357 1 20 . 1 1 25 25 VAL CB C 60 32.147 32.147 31.741 0.406 17579 12358 1 20 . 1 1 25 25 VAL H H 60 8.219 8.219 8.560 -0.341 17579 12359 1 20 . 1 1 26 26 LYS N N 61 117.987 117.987 120.878 -2.891 17579 12360 1 20 . 1 1 26 26 LYS HA H 61 3.896 3.896 4.028 -0.132 17579 12361 1 20 . 1 1 26 26 LYS C C 61 180.230 180.230 178.556 1.674 17579 12362 1 20 . 1 1 26 26 LYS CA C 61 60.492 60.492 59.593 0.900 17579 12363 1 20 . 1 1 26 26 LYS CB C 61 32.356 32.356 31.661 0.695 17579 12364 1 20 . 1 1 26 26 LYS H H 61 8.112 8.112 8.432 -0.320 17579 12365 1 20 . 1 1 27 27 GLU N N 62 117.610 117.610 118.296 -0.686 17579 12366 1 20 . 1 1 27 27 GLU HA H 62 3.937 3.937 4.070 -0.133 17579 12367 1 20 . 1 1 27 27 GLU C C 62 180.103 180.103 179.218 0.885 17579 12368 1 20 . 1 1 27 27 GLU CA C 62 59.119 59.119 59.707 -0.588 17579 12369 1 20 . 1 1 27 27 GLU CB C 62 30.052 30.052 28.907 1.145 17579 12370 1 20 . 1 1 27 27 GLU H H 62 8.493 8.493 8.034 0.459 17579 12371 1 20 . 1 1 28 28 VAL N N 63 120.585 120.585 120.892 -0.307 17579 12372 1 20 . 1 1 28 28 VAL HA H 63 3.478 3.478 3.835 -0.357 17579 12373 1 20 . 1 1 28 28 VAL C C 63 176.970 176.970 177.858 -0.888 17579 12374 1 20 . 1 1 28 28 VAL CA C 63 68.197 68.197 67.448 0.749 17579 12375 1 20 . 1 1 28 28 VAL CB C 63 31.632 31.632 32.113 -0.481 17579 12376 1 20 . 1 1 28 28 VAL H H 63 8.241 8.241 7.926 0.315 17579 12377 1 20 . 1 1 29 29 VAL N N 64 118.622 118.622 119.097 -0.475 17579 12378 1 20 . 1 1 29 29 VAL HA H 64 3.333 3.333 3.610 -0.277 17579 12379 1 20 . 1 1 29 29 VAL C C 64 177.709 177.709 177.523 0.186 17579 12380 1 20 . 1 1 29 29 VAL CA C 64 67.751 67.751 66.368 1.383 17579 12381 1 20 . 1 1 29 29 VAL CB C 64 31.553 31.553 31.787 -0.234 17579 12382 1 20 . 1 1 29 29 VAL H H 64 8.510 8.510 7.947 0.563 17579 12383 1 20 . 1 1 30 30 LYS N N 65 118.138 118.138 119.605 -1.467 17579 12384 1 20 . 1 1 30 30 LYS HA H 65 3.855 3.855 3.959 -0.104 17579 12385 1 20 . 1 1 30 30 LYS C C 65 178.693 178.693 178.506 0.187 17579 12386 1 20 . 1 1 30 30 LYS CA C 65 59.986 59.986 59.780 0.206 17579 12387 1 20 . 1 1 30 30 LYS CB C 65 32.800 32.800 32.304 0.496 17579 12388 1 20 . 1 1 30 30 LYS H H 65 7.533 7.533 8.122 -0.589 17579 12389 1 20 . 1 1 31 31 ALA N N 66 120.585 120.585 121.668 -1.083 17579 12390 1 20 . 1 1 31 31 ALA HA H 66 4.049 4.049 4.105 -0.056 17579 12391 1 20 . 1 1 31 31 ALA C C 66 179.745 179.745 179.217 0.528 17579 12392 1 20 . 1 1 31 31 ALA CA C 66 55.288 55.288 54.560 0.728 17579 12393 1 20 . 1 1 31 31 ALA CB C 66 19.207 19.207 18.201 1.006 17579 12394 1 20 . 1 1 31 31 ALA H H 66 7.489 7.489 7.908 -0.419 17579 12395 1 20 . 1 1 32 32 LEU N N 67 119.402 119.402 115.994 3.408 17579 12396 1 20 . 1 1 32 32 LEU HA H 67 3.976 3.976 4.214 -0.238 17579 12397 1 20 . 1 1 32 32 LEU C C 67 180.917 180.917 178.330 2.587 17579 12398 1 20 . 1 1 32 32 LEU CA C 67 58.115 58.115 57.018 1.097 17579 12399 1 20 . 1 1 32 32 LEU CB C 67 42.554 42.554 41.891 0.663 17579 12400 1 20 . 1 1 32 32 LEU H H 67 8.332 8.332 7.623 0.709 17579 12401 1 20 . 1 1 33 33 ARG N N 68 116.408 116.408 119.094 -2.686 17579 12402 1 20 . 1 1 33 33 ARG HA H 68 3.787 3.787 4.172 -0.385 17579 12403 1 20 . 1 1 33 33 ARG C C 68 178.472 178.472 178.090 0.382 17579 12404 1 20 . 1 1 33 33 ARG CA C 68 59.581 59.581 58.451 1.130 17579 12405 1 20 . 1 1 33 33 ARG CB C 68 29.946 29.946 30.526 -0.580 17579 12406 1 20 . 1 1 33 33 ARG H H 68 8.147 8.147 7.991 0.156 17579 12407 1 20 . 1 1 34 34 LYS N N 69 117.866 117.866 117.259 0.607 17579 12408 1 20 . 1 1 34 34 LYS HA H 69 4.232 4.232 4.229 0.003 17579 12409 1 20 . 1 1 34 34 LYS C C 69 177.005 177.005 176.962 0.043 17579 12410 1 20 . 1 1 34 34 LYS CA C 69 56.788 56.788 56.866 -0.078 17579 12411 1 20 . 1 1 34 34 LYS CB C 69 33.008 33.008 32.667 0.341 17579 12412 1 20 . 1 1 34 34 LYS H H 69 7.606 7.606 8.210 -0.604 17579 12413 1 20 . 1 1 35 35 GLY N N 70 106.799 106.799 105.428 1.371 17579 12414 1 20 . 1 1 35 35 GLY C C 70 175.547 175.547 174.101 1.446 17579 12415 1 20 . 1 1 35 35 GLY CA C 70 45.969 45.969 45.010 0.959 17579 12416 1 20 . 1 1 35 35 GLY H H 70 7.678 7.678 7.769 -0.091 17579 12417 1 20 . 1 1 36 36 GLU N N 71 119.492 119.492 121.856 -2.364 17579 12418 1 20 . 1 1 36 36 GLU HA H 71 4.199 4.199 4.332 -0.133 17579 12419 1 20 . 1 1 36 36 GLU C C 71 175.625 175.625 175.286 0.339 17579 12420 1 20 . 1 1 36 36 GLU CA C 71 57.696 57.696 55.165 2.531 17579 12421 1 20 . 1 1 36 36 GLU CB C 71 29.620 29.620 28.148 1.472 17579 12422 1 20 . 1 1 36 36 GLU H H 71 7.686 7.686 8.533 -0.847 17579 12423 1 20 . 1 1 37 37 LYS N N 72 118.433 118.433 121.826 -3.393 17579 12424 1 20 . 1 1 37 37 LYS HA H 72 4.863 4.863 4.493 0.370 17579 12425 1 20 . 1 1 37 37 LYS C C 72 175.983 175.983 176.138 -0.155 17579 12426 1 20 . 1 1 37 37 LYS CA C 72 54.299 54.299 54.541 -0.242 17579 12427 1 20 . 1 1 37 37 LYS CB C 72 35.140 35.140 34.150 0.990 17579 12428 1 20 . 1 1 37 37 LYS H H 72 8.202 8.202 7.659 0.543 17579 12429 1 20 . 1 1 38 38 GLY N N 73 104.719 104.719 107.597 -2.878 17579 12430 1 20 . 1 1 38 38 GLY C C 73 172.071 172.071 173.110 -1.039 17579 12431 1 20 . 1 1 38 38 GLY CA C 73 46.798 46.798 45.925 0.873 17579 12432 1 20 . 1 1 38 38 GLY H H 73 7.214 7.214 8.854 -1.640 17579 12433 1 20 . 1 1 39 39 LEU N N 74 125.471 125.471 122.997 2.474 17579 12434 1 20 . 1 1 39 39 LEU HA H 74 4.992 4.992 4.902 0.090 17579 12435 1 20 . 1 1 39 39 LEU C C 74 174.651 174.651 174.606 0.045 17579 12436 1 20 . 1 1 39 39 LEU CA C 74 54.686 54.686 54.934 -0.248 17579 12437 1 20 . 1 1 39 39 LEU CB C 74 47.360 47.360 45.956 1.404 17579 12438 1 20 . 1 1 39 39 LEU H H 74 8.930 8.930 8.122 0.808 17579 12439 1 20 . 1 1 40 40 VAL N N 75 130.975 130.975 128.541 2.434 17579 12440 1 20 . 1 1 40 40 VAL HA H 75 4.649 4.649 3.971 0.678 17579 12441 1 20 . 1 1 40 40 VAL C C 75 173.868 173.868 175.218 -1.350 17579 12442 1 20 . 1 1 40 40 VAL CA C 75 62.513 62.513 61.815 0.698 17579 12443 1 20 . 1 1 40 40 VAL CB C 75 32.856 32.856 30.987 1.869 17579 12444 1 20 . 1 1 40 40 VAL H H 75 8.549 8.549 8.949 -0.400 17579 12445 1 20 . 1 1 41 41 VAL N N 76 127.452 127.452 129.146 -1.694 17579 12446 1 20 . 1 1 41 41 VAL HA H 76 4.645 4.645 4.363 0.282 17579 12447 1 20 . 1 1 41 41 VAL C C 76 173.931 173.931 175.388 -1.457 17579 12448 1 20 . 1 1 41 41 VAL CA C 76 61.015 61.015 61.375 -0.360 17579 12449 1 20 . 1 1 41 41 VAL CB C 76 33.844 33.844 30.902 2.942 17579 12450 1 20 . 1 1 41 41 VAL H H 76 8.754 8.754 8.415 0.339 17579 12451 1 20 . 1 1 42 42 ILE N N 77 126.301 126.301 127.499 -1.198 17579 12452 1 20 . 1 1 42 42 ILE HA H 77 4.455 4.455 5.092 -0.637 17579 12453 1 20 . 1 1 42 42 ILE C C 77 174.965 174.965 175.133 -0.168 17579 12454 1 20 . 1 1 42 42 ILE CA C 77 59.842 59.842 57.796 2.046 17579 12455 1 20 . 1 1 42 42 ILE CB C 77 40.257 40.257 40.203 0.054 17579 12456 1 20 . 1 1 42 42 ILE H H 77 8.530 8.530 8.568 -0.038 17579 12457 1 20 . 1 1 43 43 ALA N N 78 128.716 128.716 128.141 0.575 17579 12458 1 20 . 1 1 43 43 ALA HA H 78 4.469 4.469 4.920 -0.451 17579 12459 1 20 . 1 1 43 43 ALA C C 78 177.979 177.979 179.107 -1.128 17579 12460 1 20 . 1 1 43 43 ALA CA C 78 52.398 52.398 51.143 1.255 17579 12461 1 20 . 1 1 43 43 ALA CB C 78 19.600 19.600 18.871 0.729 17579 12462 1 20 . 1 1 43 43 ALA H H 78 8.538 8.538 8.367 0.171 17579 12463 1 20 . 1 1 44 44 GLY N N 79 104.343 104.343 112.126 -7.783 17579 12464 1 20 . 1 1 44 44 GLY C C 79 173.472 173.472 174.508 -1.036 17579 12465 1 20 . 1 1 44 44 GLY CA C 79 46.239 46.239 46.983 -0.744 17579 12466 1 20 . 1 1 44 44 GLY H H 79 9.090 9.090 8.562 0.528 17579 12467 1 20 . 1 1 45 45 ASP N N 80 118.154 118.154 118.977 -0.823 17579 12468 1 20 . 1 1 45 45 ASP HA H 80 4.855 4.855 4.702 0.153 17579 12469 1 20 . 1 1 45 45 ASP C C 80 176.500 176.500 175.347 1.153 17579 12470 1 20 . 1 1 45 45 ASP CA C 80 52.804 52.804 54.474 -1.670 17579 12471 1 20 . 1 1 45 45 ASP CB C 80 39.410 39.410 42.242 -2.832 17579 12472 1 20 . 1 1 45 45 ASP H H 80 8.603 8.603 8.555 0.048 17579 12473 1 20 . 1 1 46 46 ILE N N 81 118.477 118.477 120.348 -1.871 17579 12474 1 20 . 1 1 46 46 ILE HA H 81 4.073 4.073 4.415 -0.342 17579 12475 1 20 . 1 1 46 46 ILE C C 81 173.822 173.822 173.803 0.019 17579 12476 1 20 . 1 1 46 46 ILE CA C 81 59.882 59.882 60.579 -0.697 17579 12477 1 20 . 1 1 46 46 ILE CB C 81 39.136 39.136 40.681 -1.545 17579 12478 1 20 . 1 1 46 46 ILE H H 81 6.846 6.846 7.314 -0.468 17579 12479 1 20 . 1 1 47 47 SER N N 82 117.552 117.552 120.963 -3.411 17579 12480 1 20 . 1 1 47 47 SER HA H 82 4.628 4.628 5.040 -0.412 17579 12481 1 20 . 1 1 47 47 SER C C 82 176.920 176.920 172.606 4.314 17579 12482 1 20 . 1 1 47 47 SER CA C 82 55.444 55.444 55.867 -0.423 17579 12483 1 20 . 1 1 47 47 SER CB C 82 65.268 65.268 64.917 0.351 17579 12484 1 20 . 1 1 47 47 SER H H 82 7.774 7.774 8.380 -0.606 17579 12485 1 20 . 1 1 48 48 PRO HA H 83 4.259 4.259 4.600 -0.341 17579 12486 1 20 . 1 1 48 48 PRO CA C 83 62.312 62.312 62.835 -0.523 17579 12487 1 20 . 1 1 48 48 PRO CB C 83 30.564 30.564 32.046 -1.482 17579 12488 1 20 . 1 1 49 49 ALA N N 84 122.207 122.207 119.843 2.364 17579 12489 1 20 . 1 1 49 49 ALA HA H 84 3.978 3.978 4.267 -0.289 17579 12490 1 20 . 1 1 49 49 ALA C C 84 178.699 178.699 179.009 -0.310 17579 12491 1 20 . 1 1 49 49 ALA CA C 84 54.704 54.704 53.634 1.070 17579 12492 1 20 . 1 1 49 49 ALA CB C 84 19.393 19.393 19.110 0.283 17579 12493 1 20 . 1 1 49 49 ALA H H 84 8.091 8.091 8.239 -0.148 17579 12494 1 20 . 1 1 50 50 ASP N N 85 113.440 113.440 118.991 -5.551 17579 12495 1 20 . 1 1 50 50 ASP HA H 85 4.338 4.338 4.636 -0.298 17579 12496 1 20 . 1 1 50 50 ASP C C 85 177.723 177.723 178.023 -0.300 17579 12497 1 20 . 1 1 50 50 ASP CA C 85 56.203 56.203 55.890 0.313 17579 12498 1 20 . 1 1 50 50 ASP CB C 85 40.562 40.562 40.673 -0.111 17579 12499 1 20 . 1 1 50 50 ASP H H 85 8.148 8.148 8.486 -0.338 17579 12500 1 20 . 1 1 51 51 VAL N N 86 116.604 116.604 120.837 -4.233 17579 12501 1 20 . 1 1 51 51 VAL HA H 86 3.925 3.925 3.792 0.133 17579 12502 1 20 . 1 1 51 51 VAL C C 86 176.966 176.966 176.646 0.320 17579 12503 1 20 . 1 1 51 51 VAL CA C 86 65.241 65.241 65.234 0.007 17579 12504 1 20 . 1 1 51 51 VAL CB C 86 32.467 32.467 32.262 0.205 17579 12505 1 20 . 1 1 51 51 VAL H H 86 7.538 7.538 7.688 -0.150 17579 12506 1 20 . 1 1 52 52 ILE N N 87 108.211 108.211 119.126 -10.915 17579 12507 1 20 . 1 1 52 52 ILE HA H 87 4.565 4.565 3.952 0.613 17579 12508 1 20 . 1 1 52 52 ILE C C 87 178.116 178.116 176.878 1.238 17579 12509 1 20 . 1 1 52 52 ILE CA C 87 60.165 60.165 63.496 -3.331 17579 12510 1 20 . 1 1 52 52 ILE CB C 87 41.048 41.048 37.886 3.162 17579 12511 1 20 . 1 1 52 52 ILE H H 87 7.283 7.283 7.649 -0.366 17579 12512 1 20 . 1 1 53 53 SER N N 88 116.088 116.088 113.687 2.401 17579 12513 1 20 . 1 1 53 53 SER HA H 88 4.538 4.538 4.505 0.033 17579 12514 1 20 . 1 1 53 53 SER CA C 88 61.852 61.852 59.448 2.404 17579 12515 1 20 . 1 1 53 53 SER CB C 88 62.604 62.604 64.243 -1.639 17579 12516 1 20 . 1 1 53 53 SER H H 88 7.845 7.845 8.012 -0.167 17579 12517 1 20 . 1 1 54 54 HIS N N 89 121.004 121.004 121.132 -0.128 17579 12518 1 20 . 1 1 54 54 HIS HA H 89 4.590 4.590 4.596 -0.006 17579 12519 1 20 . 1 1 54 54 HIS C C 89 176.530 176.530 176.249 0.281 17579 12520 1 20 . 1 1 54 54 HIS CA C 89 56.554 56.554 57.979 -1.425 17579 12521 1 20 . 1 1 54 54 HIS CB C 89 33.261 33.261 31.511 1.750 17579 12522 1 20 . 1 1 54 54 HIS H H 89 8.450 8.450 8.007 0.443 17579 12523 1 20 . 1 1 55 55 ILE N N 90 123.909 123.909 122.312 1.597 17579 12524 1 20 . 1 1 55 55 ILE HA H 90 4.583 4.583 3.531 1.052 17579 12525 1 20 . 1 1 55 55 ILE CA C 90 62.230 62.230 65.463 -3.233 17579 12526 1 20 . 1 1 55 55 ILE CB C 90 42.418 42.418 34.945 7.473 17579 12527 1 20 . 1 1 55 55 ILE H H 90 8.142 8.142 8.281 -0.139 17579 12528 1 20 . 1 1 56 56 PRO HA H 91 2.974 2.974 4.268 -1.294 17579 12529 1 20 . 1 1 56 56 PRO C C 91 177.132 177.132 178.909 -1.777 17579 12530 1 20 . 1 1 56 56 PRO CA C 91 66.917 66.917 66.059 0.858 17579 12531 1 20 . 1 1 56 56 PRO CB C 91 31.519 31.519 31.081 0.438 17579 12532 1 20 . 1 1 57 57 VAL N N 92 114.761 114.761 118.644 -3.883 17579 12533 1 20 . 1 1 57 57 VAL HA H 92 3.570 3.570 3.794 -0.224 17579 12534 1 20 . 1 1 57 57 VAL C C 92 177.995 177.995 177.841 0.154 17579 12535 1 20 . 1 1 57 57 VAL CA C 92 66.358 66.358 66.286 0.072 17579 12536 1 20 . 1 1 57 57 VAL CB C 92 31.694 31.694 31.646 0.048 17579 12537 1 20 . 1 1 57 57 VAL H H 92 6.505 6.505 7.639 -1.134 17579 12538 1 20 . 1 1 58 58 LEU N N 93 120.572 120.572 119.263 1.309 17579 12539 1 20 . 1 1 58 58 LEU HA H 93 4.200 4.200 4.112 0.088 17579 12540 1 20 . 1 1 58 58 LEU C C 93 180.452 180.452 178.520 1.932 17579 12541 1 20 . 1 1 58 58 LEU CA C 93 57.938 57.938 58.157 -0.219 17579 12542 1 20 . 1 1 58 58 LEU CB C 93 43.394 43.394 40.958 2.437 17579 12543 1 20 . 1 1 58 58 LEU H H 93 7.432 7.432 8.166 -0.734 17579 12544 1 20 . 1 1 59 59 CYS N N 94 117.330 117.330 118.375 -1.045 17579 12545 1 20 . 1 1 59 59 CYS HA H 94 3.827 3.827 4.178 -0.351 17579 12546 1 20 . 1 1 59 59 CYS C C 94 177.986 177.986 176.716 1.270 17579 12547 1 20 . 1 1 59 59 CYS CA C 94 65.483 65.483 63.034 2.449 17579 12548 1 20 . 1 1 59 59 CYS CB C 94 26.552 26.552 27.888 -1.336 17579 12549 1 20 . 1 1 59 59 CYS H H 94 8.423 8.423 7.994 0.429 17579 12550 1 20 . 1 1 60 60 GLU N N 95 120.766 120.766 118.808 1.958 17579 12551 1 20 . 1 1 60 60 GLU HA H 95 3.512 3.512 4.132 -0.620 17579 12552 1 20 . 1 1 60 60 GLU C C 95 180.736 180.736 177.294 3.442 17579 12553 1 20 . 1 1 60 60 GLU CA C 95 59.909 59.909 58.388 1.521 17579 12554 1 20 . 1 1 60 60 GLU CB C 95 29.108 29.108 29.616 -0.508 17579 12555 1 20 . 1 1 60 60 GLU H H 95 8.237 8.237 7.896 0.341 17579 12556 1 20 . 1 1 61 61 ASP N N 96 120.591 120.591 118.723 1.868 17579 12557 1 20 . 1 1 61 61 ASP HA H 96 4.311 4.311 4.430 -0.119 17579 12558 1 20 . 1 1 61 61 ASP C C 96 178.004 178.004 177.633 0.371 17579 12559 1 20 . 1 1 61 61 ASP CA C 96 57.549 57.549 56.083 1.466 17579 12560 1 20 . 1 1 61 61 ASP CB C 96 41.083 41.083 41.310 -0.227 17579 12561 1 20 . 1 1 61 61 ASP H H 96 8.345 8.345 7.884 0.461 17579 12562 1 20 . 1 1 62 62 HIS N N 97 115.844 115.844 115.223 0.621 17579 12563 1 20 . 1 1 62 62 HIS HA H 97 4.575 4.575 4.861 -0.286 17579 12564 1 20 . 1 1 62 62 HIS C C 97 173.728 173.728 174.545 -0.817 17579 12565 1 20 . 1 1 62 62 HIS CA C 97 57.418 57.418 56.025 1.393 17579 12566 1 20 . 1 1 62 62 HIS CB C 97 30.067 30.067 32.510 -2.443 17579 12567 1 20 . 1 1 62 62 HIS H H 97 7.663 7.663 7.765 -0.102 17579 12568 1 20 . 1 1 63 63 SER N N 98 114.813 114.813 115.814 -1.001 17579 12569 1 20 . 1 1 63 63 SER HA H 98 4.097 4.097 4.093 0.004 17579 12570 1 20 . 1 1 63 63 SER C C 98 173.789 173.789 172.809 0.980 17579 12571 1 20 . 1 1 63 63 SER CA C 98 59.255 59.255 59.056 0.199 17579 12572 1 20 . 1 1 63 63 SER CB C 98 61.602 61.602 62.533 -0.931 17579 12573 1 20 . 1 1 63 63 SER H H 98 7.861 7.861 8.119 -0.258 17579 12574 1 20 . 1 1 64 64 VAL N N 99 123.227 123.227 122.406 0.821 17579 12575 1 20 . 1 1 64 64 VAL HA H 99 4.157 4.157 4.491 -0.334 17579 12576 1 20 . 1 1 64 64 VAL C C 99 174.345 174.345 174.296 0.049 17579 12577 1 20 . 1 1 64 64 VAL CA C 99 58.923 58.923 59.132 -0.208 17579 12578 1 20 . 1 1 64 64 VAL CB C 99 35.133 35.133 35.773 -0.640 17579 12579 1 20 . 1 1 64 64 VAL H H 99 8.603 8.603 8.348 0.254 17579 12580 1 20 . 1 1 65 65 PRO HA H 100 4.260 4.260 4.459 -0.199 17579 12581 1 20 . 1 1 65 65 PRO C C 100 173.335 173.335 175.114 -1.779 17579 12582 1 20 . 1 1 65 65 PRO CA C 100 63.165 63.165 62.997 0.168 17579 12583 1 20 . 1 1 65 65 PRO CB C 100 32.083 32.083 29.984 2.099 17579 12584 1 20 . 1 1 66 66 TYR N N 101 114.840 114.840 124.452 -9.612 17579 12585 1 20 . 1 1 66 66 TYR HA H 101 5.900 5.900 4.694 1.206 17579 12586 1 20 . 1 1 66 66 TYR C C 101 170.503 170.503 173.099 -2.596 17579 12587 1 20 . 1 1 66 66 TYR CA C 101 53.986 53.986 56.424 -2.438 17579 12588 1 20 . 1 1 66 66 TYR CB C 101 41.998 41.998 40.640 1.358 17579 12589 1 20 . 1 1 66 66 TYR H H 101 6.219 6.219 7.948 -1.729 17579 12590 1 20 . 1 1 67 67 ILE N N 102 112.118 112.118 123.330 -11.212 17579 12591 1 20 . 1 1 67 67 ILE HA H 102 4.488 4.488 4.026 0.462 17579 12592 1 20 . 1 1 67 67 ILE C C 102 171.963 171.963 173.103 -1.140 17579 12593 1 20 . 1 1 67 67 ILE CA C 102 55.343 55.343 58.703 -3.360 17579 12594 1 20 . 1 1 67 67 ILE CB C 102 43.317 43.317 42.299 1.018 17579 12595 1 20 . 1 1 67 67 ILE H H 102 7.954 7.954 8.514 -0.560 17579 12596 1 20 . 1 1 68 68 PHE N N 103 122.272 122.272 125.167 -2.895 17579 12597 1 20 . 1 1 68 68 PHE HA H 103 5.945 5.945 4.985 0.960 17579 12598 1 20 . 1 1 68 68 PHE C C 103 176.374 176.374 174.949 1.425 17579 12599 1 20 . 1 1 68 68 PHE CA C 103 56.520 56.520 55.963 0.557 17579 12600 1 20 . 1 1 68 68 PHE CB C 103 40.518 40.518 41.783 -1.265 17579 12601 1 20 . 1 1 68 68 PHE H H 103 8.087 8.087 8.374 -0.287 17579 12602 1 20 . 1 1 69 69 ILE N N 104 114.672 114.672 119.633 -4.961 17579 12603 1 20 . 1 1 69 69 ILE HA H 104 2.991 2.991 4.830 -1.839 17579 12604 1 20 . 1 1 69 69 ILE C C 104 175.387 175.387 173.713 1.674 17579 12605 1 20 . 1 1 69 69 ILE CA C 104 57.903 57.903 58.242 -0.340 17579 12606 1 20 . 1 1 69 69 ILE CB C 104 38.207 38.207 39.982 -1.775 17579 12607 1 20 . 1 1 69 69 ILE H H 104 8.847 8.847 9.333 -0.486 17579 12608 1 20 . 1 1 70 70 PRO HA H 105 3.918 3.918 4.650 -0.732 17579 12609 1 20 . 1 1 70 70 PRO C C 105 177.442 177.442 175.923 1.519 17579 12610 1 20 . 1 1 70 70 PRO CA C 105 64.823 64.823 63.143 1.680 17579 12611 1 20 . 1 1 70 70 PRO CB C 105 35.906 35.906 30.245 5.661 17579 12612 1 20 . 1 1 71 71 SER N N 106 113.113 113.113 117.921 -4.808 17579 12613 1 20 . 1 1 71 71 SER HA H 106 4.261 4.261 4.627 -0.366 17579 12614 1 20 . 1 1 71 71 SER C C 106 175.111 175.111 174.871 0.240 17579 12615 1 20 . 1 1 71 71 SER CA C 106 60.111 60.111 57.357 2.754 17579 12616 1 20 . 1 1 71 71 SER CB C 106 63.687 63.687 64.281 -0.594 17579 12617 1 20 . 1 1 71 71 SER H H 106 7.904 7.904 8.121 -0.217 17579 12618 1 20 . 1 1 72 72 LYS N N 107 119.830 119.830 127.712 -7.882 17579 12619 1 20 . 1 1 72 72 LYS HA H 107 4.187 4.187 3.939 0.248 17579 12620 1 20 . 1 1 72 72 LYS CA C 107 58.783 58.783 60.397 -1.614 17579 12621 1 20 . 1 1 72 72 LYS CB C 107 30.951 30.951 32.404 -1.453 17579 12622 1 20 . 1 1 72 72 LYS H H 107 8.314 8.314 8.664 -0.350 17579 12623 1 20 . 1 1 73 73 GLN N N 108 123.860 123.860 117.554 6.306 17579 12624 1 20 . 1 1 73 73 GLN HA H 108 4.001 4.001 4.112 -0.111 17579 12625 1 20 . 1 1 73 73 GLN CA C 108 58.831 58.831 58.895 -0.064 17579 12626 1 20 . 1 1 73 73 GLN CB C 108 28.451 28.451 28.029 0.422 17579 12627 1 20 . 1 1 73 73 GLN H H 108 8.510 8.510 8.397 0.113 17579 12628 1 20 . 1 1 74 74 ASP N N 109 121.145 121.145 121.068 0.077 17579 12629 1 20 . 1 1 74 74 ASP HA H 109 4.389 4.389 4.427 -0.038 17579 12630 1 20 . 1 1 74 74 ASP C C 109 178.552 178.552 178.524 0.028 17579 12631 1 20 . 1 1 74 74 ASP H H 109 7.966 7.966 7.672 0.294 17579 12632 1 20 . 1 1 75 75 LEU N N 110 121.098 121.098 120.723 0.375 17579 12633 1 20 . 1 1 75 75 LEU HA H 110 3.955 3.955 4.079 -0.124 17579 12634 1 20 . 1 1 75 75 LEU C C 110 178.953 178.953 178.941 0.012 17579 12635 1 20 . 1 1 75 75 LEU CA C 110 56.538 56.538 57.750 -1.212 17579 12636 1 20 . 1 1 75 75 LEU CB C 110 40.845 40.845 42.029 -1.184 17579 12637 1 20 . 1 1 75 75 LEU H H 110 7.932 7.932 8.175 -0.242 17579 12638 1 20 . 1 1 76 76 GLY N N 111 105.659 105.659 106.466 -0.807 17579 12639 1 20 . 1 1 76 76 GLY C C 111 175.510 175.510 175.472 0.038 17579 12640 1 20 . 1 1 76 76 GLY CA C 111 47.037 47.037 47.292 -0.255 17579 12641 1 20 . 1 1 76 76 GLY H H 111 8.006 8.006 8.543 -0.537 17579 12642 1 20 . 1 1 77 77 ALA N N 112 122.987 122.987 123.660 -0.673 17579 12643 1 20 . 1 1 77 77 ALA HA H 112 4.112 4.112 4.032 0.080 17579 12644 1 20 . 1 1 77 77 ALA C C 112 179.350 179.350 179.076 0.274 17579 12645 1 20 . 1 1 77 77 ALA CA C 112 53.930 53.930 54.361 -0.431 17579 12646 1 20 . 1 1 77 77 ALA CB C 112 18.727 18.727 18.425 0.302 17579 12647 1 20 . 1 1 77 77 ALA H H 112 7.824 7.824 7.761 0.063 17579 12648 1 20 . 1 1 78 78 ALA N N 113 121.466 121.466 120.775 0.691 17579 12649 1 20 . 1 1 78 78 ALA HA H 113 4.189 4.189 4.005 0.184 17579 12650 1 20 . 1 1 78 78 ALA C C 113 177.368 177.368 178.401 -1.033 17579 12651 1 20 . 1 1 78 78 ALA CA C 113 53.750 53.750 54.705 -0.955 17579 12652 1 20 . 1 1 78 78 ALA CB C 113 19.231 19.231 19.166 0.065 17579 12653 1 20 . 1 1 78 78 ALA H H 113 7.785 7.785 7.785 0.000 17579 12654 1 20 . 1 1 79 79 GLY N N 114 104.016 104.016 104.794 -0.778 17579 12655 1 20 . 1 1 79 79 GLY CA C 114 45.256 45.256 45.166 0.090 17579 12656 1 20 . 1 1 79 79 GLY H H 114 7.742 7.742 8.074 -0.332 17579 12657 1 20 . 1 1 80 80 ALA HA H 115 4.100 4.100 4.613 -0.513 17579 12658 1 20 . 1 1 80 80 ALA C C 115 176.526 176.526 176.432 0.094 17579 12659 1 20 . 1 1 80 80 ALA CA C 115 53.482 53.482 52.036 1.446 17579 12660 1 20 . 1 1 80 80 ALA CB C 115 19.825 19.825 20.261 -0.436 17579 12661 1 20 . 1 1 81 81 THR N N 116 116.236 116.236 115.301 0.935 17579 12662 1 20 . 1 1 81 81 THR HA H 116 4.718 4.718 3.953 0.765 17579 12663 1 20 . 1 1 81 81 THR CA C 116 57.275 57.275 64.492 -7.217 17579 12664 1 20 . 1 1 81 81 THR CB C 116 64.878 64.878 68.990 -4.112 17579 12665 1 20 . 1 1 81 81 THR H H 116 8.068 8.068 8.447 -0.379 17579 12666 1 20 . 1 1 84 84 PRO HA H 119 4.072 4.072 4.579 -0.507 17579 12667 1 20 . 1 1 84 84 PRO CB C 119 32.154 32.154 32.366 -0.212 17579 12668 1 20 . 1 1 85 85 THR N N 120 119.680 119.680 112.453 7.227 17579 12669 1 20 . 1 1 85 85 THR C C 120 175.333 175.333 173.831 1.502 17579 12670 1 20 . 1 1 85 85 THR CB C 120 71.769 71.769 71.477 0.292 17579 12671 1 20 . 1 1 85 85 THR H H 120 8.002 8.002 7.885 0.117 17579 12672 1 20 . 1 1 86 86 SER N N 121 115.589 115.589 115.302 0.287 17579 12673 1 20 . 1 1 86 86 SER HA H 121 4.325 4.325 4.582 -0.257 17579 12674 1 20 . 1 1 86 86 SER C C 121 172.929 172.929 173.636 -0.707 17579 12675 1 20 . 1 1 86 86 SER CA C 121 59.722 59.722 58.971 0.751 17579 12676 1 20 . 1 1 86 86 SER CB C 121 64.608 64.608 64.502 0.106 17579 12677 1 20 . 1 1 86 86 SER H H 121 7.335 7.335 8.556 -1.221 17579 12678 1 20 . 1 1 87 87 VAL N N 122 116.044 116.044 118.581 -2.537 17579 12679 1 20 . 1 1 87 87 VAL HA H 122 5.200 5.200 4.573 0.627 17579 12680 1 20 . 1 1 87 87 VAL C C 122 172.465 172.465 174.102 -1.637 17579 12681 1 20 . 1 1 87 87 VAL CA C 122 59.819 59.819 60.721 -0.902 17579 12682 1 20 . 1 1 87 87 VAL CB C 122 33.368 33.368 32.638 0.730 17579 12683 1 20 . 1 1 87 87 VAL H H 122 7.152 7.152 7.550 -0.398 17579 12684 1 20 . 1 1 88 88 VAL N N 123 119.350 119.350 126.203 -6.853 17579 12685 1 20 . 1 1 88 88 VAL HA H 123 5.091 5.091 4.559 0.532 17579 12686 1 20 . 1 1 88 88 VAL C C 123 173.214 173.214 174.097 -0.883 17579 12687 1 20 . 1 1 88 88 VAL CA C 123 59.219 59.219 61.070 -1.851 17579 12688 1 20 . 1 1 88 88 VAL CB C 123 36.362 36.362 36.069 0.292 17579 12689 1 20 . 1 1 88 88 VAL H H 123 8.851 8.851 8.715 0.136 17579 12690 1 20 . 1 1 89 89 PHE N N 124 122.568 122.568 125.469 -2.901 17579 12691 1 20 . 1 1 89 89 PHE HA H 124 5.613 5.613 5.209 0.404 17579 12692 1 20 . 1 1 89 89 PHE C C 124 174.887 174.887 175.058 -0.171 17579 12693 1 20 . 1 1 89 89 PHE CA C 124 52.961 52.961 56.201 -3.240 17579 12694 1 20 . 1 1 89 89 PHE CB C 124 42.788 42.788 42.465 0.322 17579 12695 1 20 . 1 1 89 89 PHE H H 124 9.051 9.051 9.254 -0.203 17579 12696 1 20 . 1 1 90 90 ILE N N 125 127.707 127.707 127.247 0.460 17579 12697 1 20 . 1 1 90 90 ILE HA H 125 4.264 4.264 4.352 -0.088 17579 12698 1 20 . 1 1 90 90 ILE C C 125 173.870 173.870 175.661 -1.791 17579 12699 1 20 . 1 1 90 90 ILE CA C 125 61.789 61.789 60.016 1.773 17579 12700 1 20 . 1 1 90 90 ILE CB C 125 39.785 39.785 37.957 1.828 17579 12701 1 20 . 1 1 90 90 ILE H H 125 9.477 9.477 9.319 0.158 17579 12702 1 20 . 1 1 91 91 VAL N N 126 126.579 126.579 118.220 8.359 17579 12703 1 20 . 1 1 91 91 VAL HA H 126 4.566 4.566 5.065 -0.499 17579 12704 1 20 . 1 1 91 91 VAL C C 126 173.829 173.829 174.238 -0.409 17579 12705 1 20 . 1 1 91 91 VAL CA C 126 58.701 58.701 58.374 0.327 17579 12706 1 20 . 1 1 91 91 VAL CB C 126 32.989 32.989 34.944 -1.955 17579 12707 1 20 . 1 1 91 91 VAL H H 126 8.149 8.149 8.661 -0.512 17579 12708 1 20 . 1 1 92 92 PRO HA H 127 4.035 4.035 4.680 -0.645 17579 12709 1 20 . 1 1 92 92 PRO C C 127 177.766 177.766 176.708 1.058 17579 12710 1 20 . 1 1 92 92 PRO CA C 127 63.684 63.684 63.039 0.644 17579 12711 1 20 . 1 1 92 92 PRO CB C 127 32.178 32.178 30.310 1.868 17579 12712 1 20 . 1 1 93 93 GLY N N 128 108.618 108.618 109.941 -1.323 17579 12713 1 20 . 1 1 93 93 GLY CA C 128 45.787 45.787 44.846 0.941 17579 12714 1 20 . 1 1 93 93 GLY H H 128 7.970 7.970 8.188 -0.218 17579 12715 1 20 . 1 1 94 94 SER N N 129 113.620 113.620 118.521 -4.901 17579 12716 1 20 . 1 1 94 94 SER HA H 129 4.317 4.317 4.390 -0.073 17579 12717 1 20 . 1 1 94 94 SER C C 129 180.379 180.379 174.087 6.292 17579 12718 1 20 . 1 1 94 94 SER CA C 129 58.566 58.566 57.394 1.172 17579 12719 1 20 . 1 1 94 94 SER H H 129 7.952 7.952 8.348 -0.396 17579 12720 1 20 . 1 1 95 95 ASN N N 130 120.775 120.775 121.498 -0.723 17579 12721 1 20 . 1 1 95 95 ASN HA H 130 3.964 3.964 4.465 -0.501 17579 12722 1 20 . 1 1 95 95 ASN C C 130 178.664 178.664 176.920 1.744 17579 12723 1 20 . 1 1 95 95 ASN CA C 130 57.689 57.689 56.145 1.544 17579 12724 1 20 . 1 1 95 95 ASN CB C 130 42.288 42.288 38.130 4.158 17579 12725 1 20 . 1 1 95 95 ASN H H 130 8.300 8.300 8.136 0.164 17579 12726 1 20 . 1 1 96 96 LYS N N 131 119.316 119.316 120.113 -0.797 17579 12727 1 20 . 1 1 96 96 LYS HA H 131 4.095 4.095 4.139 -0.044 17579 12728 1 20 . 1 1 96 96 LYS C C 131 178.290 178.290 177.284 1.006 17579 12729 1 20 . 1 1 96 96 LYS CA C 131 59.062 59.062 58.525 0.537 17579 12730 1 20 . 1 1 96 96 LYS CB C 131 29.745 29.745 31.840 -2.095 17579 12731 1 20 . 1 1 96 96 LYS H H 131 7.896 7.896 8.630 -0.734 17579 12732 1 20 . 1 1 97 97 LYS N N 132 117.523 117.523 118.849 -1.326 17579 12733 1 20 . 1 1 97 97 LYS C C 132 176.927 176.927 179.178 -2.251 17579 12734 1 20 . 1 1 97 97 LYS CA C 132 58.555 58.555 58.048 0.507 17579 12735 1 20 . 1 1 97 97 LYS CB C 132 30.578 30.578 31.963 -1.385 17579 12736 1 20 . 1 1 97 97 LYS H H 132 7.791 7.791 7.893 -0.102 17579 12737 1 20 . 1 1 98 98 LYS HA H 133 4.236 4.236 4.088 0.148 17579 12738 1 20 . 1 1 98 98 LYS C C 133 176.606 176.606 177.395 -0.789 17579 12739 1 20 . 1 1 98 98 LYS CA C 133 57.225 57.225 59.478 -2.253 17579 12740 1 20 . 1 1 98 98 LYS CB C 133 33.151 33.151 32.313 0.838 17579 12741 1 20 . 1 1 99 99 ASP N N 134 120.311 120.311 114.934 5.377 17579 12742 1 20 . 1 1 99 99 ASP HA H 134 4.584 4.584 4.764 -0.180 17579 12743 1 20 . 1 1 99 99 ASP C C 134 176.899 176.899 176.118 0.781 17579 12744 1 20 . 1 1 99 99 ASP CA C 134 54.402 54.402 53.928 0.474 17579 12745 1 20 . 1 1 99 99 ASP CB C 134 41.568 41.568 41.557 0.011 17579 12746 1 20 . 1 1 99 99 ASP H H 134 8.267 8.267 7.706 0.561 17579 12747 1 20 . 1 1 100 100 GLY N N 135 108.751 108.751 107.367 1.384 17579 12748 1 20 . 1 1 100 100 GLY C C 135 174.683 174.683 173.631 1.052 17579 12749 1 20 . 1 1 100 100 GLY CA C 135 45.985 45.985 45.418 0.567 17579 12750 1 20 . 1 1 100 100 GLY H H 135 8.235 8.235 7.881 0.354 17579 12751 1 20 . 1 1 101 101 LYS N N 136 120.306 120.306 120.762 -0.456 17579 12752 1 20 . 1 1 101 101 LYS HA H 136 4.279 4.279 4.216 0.063 17579 12753 1 20 . 1 1 101 101 LYS C C 136 175.145 175.145 177.079 -1.934 17579 12754 1 20 . 1 1 101 101 LYS CA C 136 56.875 56.875 56.496 0.379 17579 12755 1 20 . 1 1 101 101 LYS CB C 136 32.987 32.987 33.153 -0.166 17579 12756 1 20 . 1 1 101 101 LYS H H 136 8.148 8.148 8.209 -0.061 17579 12757 1 20 . 1 1 102 102 ASN N N 137 118.958 118.958 119.981 -1.023 17579 12758 1 20 . 1 1 102 102 ASN HA H 137 4.707 4.707 4.580 0.127 17579 12759 1 20 . 1 1 102 102 ASN C C 137 175.849 175.849 177.078 -1.229 17579 12760 1 20 . 1 1 102 102 ASN CA C 137 53.816 53.816 55.224 -1.407 17579 12761 1 20 . 1 1 102 102 ASN CB C 137 39.070 39.070 38.617 0.453 17579 12762 1 20 . 1 1 102 102 ASN H H 137 8.406 8.406 8.620 -0.214 17579 12763 1 20 . 1 1 103 103 LYS N N 138 121.782 121.782 121.020 0.762 17579 12764 1 20 . 1 1 103 103 LYS HA H 138 4.255 4.255 3.913 0.342 17579 12765 1 20 . 1 1 103 103 LYS CA C 138 56.641 56.641 59.325 -2.684 17579 12766 1 20 . 1 1 103 103 LYS CB C 138 32.911 32.911 32.270 0.641 17579 12767 1 20 . 1 1 103 103 LYS H H 138 8.316 8.316 8.366 -0.050 17579 12768 1 20 . 1 1 104 104 GLU N N 139 121.053 121.053 117.426 3.627 17579 12769 1 20 . 1 1 104 104 GLU CA C 139 57.449 57.449 59.418 -1.969 17579 12770 1 20 . 1 1 104 104 GLU CB C 139 29.983 29.983 28.170 1.813 17579 12771 1 20 . 1 1 104 104 GLU H H 139 8.459 8.459 8.715 -0.256 17579 12772 1 20 . 1 1 106 106 GLU N N 141 122.191 122.191 119.770 2.421 17579 12773 1 20 . 1 1 106 106 GLU HA H 141 4.268 4.268 4.069 0.199 17579 12774 1 20 . 1 1 106 106 GLU CA C 141 64.025 64.025 58.916 5.109 17579 12775 1 20 . 1 1 106 106 GLU CB C 141 32.117 32.117 29.774 2.343 17579 12776 1 20 . 1 1 106 106 GLU H H 141 8.291 8.291 8.368 -0.077 17579 12777 1 20 . 1 1 107 107 TYR N N 142 115.802 115.802 121.600 -5.798 17579 12778 1 20 . 1 1 107 107 TYR HA H 142 4.996 4.996 4.074 0.922 17579 12779 1 20 . 1 1 107 107 TYR C C 142 175.381 175.381 177.286 -1.905 17579 12780 1 20 . 1 1 107 107 TYR CA C 142 57.581 57.581 61.196 -3.615 17579 12781 1 20 . 1 1 107 107 TYR CB C 142 39.533 39.533 38.142 1.391 17579 12782 1 20 . 1 1 107 107 TYR H H 142 7.344 7.344 8.650 -1.306 17579 12783 1 20 . 1 1 108 108 LYS N N 143 123.473 123.473 119.149 4.324 17579 12784 1 20 . 1 1 108 108 LYS HA H 143 3.628 3.628 3.351 0.277 17579 12785 1 20 . 1 1 108 108 LYS C C 143 177.659 177.659 178.813 -1.154 17579 12786 1 20 . 1 1 108 108 LYS CA C 143 59.988 59.988 58.955 1.033 17579 12787 1 20 . 1 1 108 108 LYS CB C 143 32.294 32.294 31.857 0.437 17579 12788 1 20 . 1 1 108 108 LYS H H 143 7.376 7.376 8.210 -0.834 17579 12789 1 20 . 1 1 109 109 GLU N N 144 118.799 118.799 118.897 -0.098 17579 12790 1 20 . 1 1 109 109 GLU HA H 144 4.048 4.048 3.927 0.121 17579 12791 1 20 . 1 1 109 109 GLU C C 144 179.583 179.583 178.731 0.852 17579 12792 1 20 . 1 1 109 109 GLU CA C 144 60.200 60.200 59.898 0.302 17579 12793 1 20 . 1 1 109 109 GLU CB C 144 29.237 29.237 29.656 -0.419 17579 12794 1 20 . 1 1 109 109 GLU H H 144 8.558 8.558 8.206 0.352 17579 12795 1 20 . 1 1 110 110 SER N N 145 116.121 116.121 115.625 0.496 17579 12796 1 20 . 1 1 110 110 SER HA H 145 4.319 4.319 4.218 0.101 17579 12797 1 20 . 1 1 110 110 SER C C 145 176.522 176.522 176.942 -0.420 17579 12798 1 20 . 1 1 110 110 SER CA C 145 61.990 61.990 61.448 0.542 17579 12799 1 20 . 1 1 110 110 SER CB C 145 63.293 63.293 62.841 0.452 17579 12800 1 20 . 1 1 110 110 SER H H 145 8.094 8.094 7.898 0.196 17579 12801 1 20 . 1 1 111 111 PHE N N 146 122.311 122.311 123.083 -0.772 17579 12802 1 20 . 1 1 111 111 PHE HA H 146 4.021 4.021 4.172 -0.151 17579 12803 1 20 . 1 1 111 111 PHE C C 146 176.001 176.001 176.452 -0.451 17579 12804 1 20 . 1 1 111 111 PHE CA C 146 62.504 62.504 60.324 2.180 17579 12805 1 20 . 1 1 111 111 PHE CB C 146 39.861 39.861 38.584 1.276 17579 12806 1 20 . 1 1 111 111 PHE H H 146 8.536 8.536 8.742 -0.206 17579 12807 1 20 . 1 1 112 112 ASN N N 147 117.908 117.908 117.101 0.807 17579 12808 1 20 . 1 1 112 112 ASN HA H 147 4.252 4.252 4.150 0.102 17579 12809 1 20 . 1 1 112 112 ASN C C 147 178.315 178.315 177.367 0.948 17579 12810 1 20 . 1 1 112 112 ASN CA C 147 56.226 56.226 56.505 -0.279 17579 12811 1 20 . 1 1 112 112 ASN CB C 147 37.990 37.990 37.844 0.146 17579 12812 1 20 . 1 1 112 112 ASN H H 147 8.795 8.795 8.684 0.111 17579 12813 1 20 . 1 1 113 113 GLU N N 148 119.868 119.868 120.071 -0.203 17579 12814 1 20 . 1 1 113 113 GLU HA H 148 4.024 4.024 4.074 -0.050 17579 12815 1 20 . 1 1 113 113 GLU C C 148 179.410 179.410 178.708 0.702 17579 12816 1 20 . 1 1 113 113 GLU CA C 148 59.710 59.710 59.233 0.477 17579 12817 1 20 . 1 1 113 113 GLU CB C 148 30.063 30.063 29.499 0.564 17579 12818 1 20 . 1 1 113 113 GLU H H 148 7.764 7.764 7.969 -0.205 17579 12819 1 20 . 1 1 114 114 VAL N N 149 119.684 119.684 117.653 2.031 17579 12820 1 20 . 1 1 114 114 VAL HA H 149 3.544 3.544 3.843 -0.299 17579 12821 1 20 . 1 1 114 114 VAL C C 149 177.613 177.613 178.051 -0.438 17579 12822 1 20 . 1 1 114 114 VAL CA C 149 66.977 66.977 65.544 1.433 17579 12823 1 20 . 1 1 114 114 VAL CB C 149 30.605 30.605 30.859 -0.254 17579 12824 1 20 . 1 1 114 114 VAL H H 149 7.973 7.973 7.980 -0.007 17579 12825 1 20 . 1 1 115 115 VAL N N 150 119.782 119.782 120.596 -0.814 17579 12826 1 20 . 1 1 115 115 VAL HA H 150 3.164 3.164 3.518 -0.354 17579 12827 1 20 . 1 1 115 115 VAL C C 150 177.499 177.499 178.003 -0.504 17579 12828 1 20 . 1 1 115 115 VAL CA C 150 68.301 68.301 66.616 1.685 17579 12829 1 20 . 1 1 115 115 VAL CB C 150 31.483 31.483 30.694 0.789 17579 12830 1 20 . 1 1 115 115 VAL H H 150 8.452 8.452 8.485 -0.033 17579 12831 1 20 . 1 1 116 116 LYS N N 151 118.842 118.842 120.225 -1.383 17579 12832 1 20 . 1 1 116 116 LYS HA H 151 4.024 4.024 3.995 0.029 17579 12833 1 20 . 1 1 116 116 LYS C C 151 179.862 179.862 178.814 1.048 17579 12834 1 20 . 1 1 116 116 LYS CA C 151 59.947 59.947 59.840 0.107 17579 12835 1 20 . 1 1 116 116 LYS CB C 151 32.481 32.481 32.392 0.089 17579 12836 1 20 . 1 1 116 116 LYS H H 151 7.595 7.595 7.957 -0.362 17579 12837 1 20 . 1 1 117 117 GLU N N 152 120.243 120.243 119.284 0.959 17579 12838 1 20 . 1 1 117 117 GLU HA H 152 4.052 4.052 4.103 -0.051 17579 12839 1 20 . 1 1 117 117 GLU C C 152 179.528 179.528 178.840 0.688 17579 12840 1 20 . 1 1 117 117 GLU CA C 152 60.178 60.178 59.084 1.095 17579 12841 1 20 . 1 1 117 117 GLU CB C 152 29.949 29.949 28.912 1.037 17579 12842 1 20 . 1 1 117 117 GLU H H 152 7.513 7.513 8.239 -0.726 17579 12843 1 20 . 1 1 118 118 VAL N N 153 120.596 120.596 120.304 0.292 17579 12844 1 20 . 1 1 118 118 VAL HA H 153 3.464 3.464 3.826 -0.362 17579 12845 1 20 . 1 1 118 118 VAL C C 153 177.984 177.984 177.348 0.636 17579 12846 1 20 . 1 1 118 118 VAL CA C 153 68.047 68.047 65.073 2.974 17579 12847 1 20 . 1 1 118 118 VAL CB C 153 32.056 32.056 31.383 0.673 17579 12848 1 20 . 1 1 118 118 VAL H H 153 8.649 8.649 7.820 0.829 17579 12849 1 20 . 1 1 119 119 GLN N N 154 118.317 118.317 118.566 -0.249 17579 12850 1 20 . 1 1 119 119 GLN HA H 154 3.986 3.986 4.129 -0.143 17579 12851 1 20 . 1 1 119 119 GLN C C 154 178.984 178.984 176.687 2.297 17579 12852 1 20 . 1 1 119 119 GLN CA C 154 59.716 59.716 57.967 1.749 17579 12853 1 20 . 1 1 119 119 GLN CB C 154 28.261 28.261 29.290 -1.028 17579 12854 1 20 . 1 1 119 119 GLN H H 154 8.947 8.947 7.825 1.122 17579 12855 1 20 . 1 1 120 120 ALA N N 155 120.688 120.688 121.512 -0.824 17579 12856 1 20 . 1 1 120 120 ALA HA H 155 3.484 3.484 4.200 -0.716 17579 12857 1 20 . 1 1 120 120 ALA C C 155 180.759 180.759 177.897 2.862 17579 12858 1 20 . 1 1 120 120 ALA CA C 155 55.257 55.257 53.747 1.510 17579 12859 1 20 . 1 1 120 120 ALA CB C 155 18.446 18.446 19.439 -0.993 17579 12860 1 20 . 1 1 120 120 ALA H H 155 7.494 7.494 7.678 -0.184 17579 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 108 3.365 0.632 3.321 17579 2 1 1 "Average Difference" HA 121 0.431 0.015 0.433 17579 3 1 1 "Average Difference" C 103 1.475 -0.129 1.477 17579 4 1 1 "Average Difference" CA 113 1.668 -0.241 1.658 17579 5 1 1 "Average Difference" CB 106 1.596 -0.503 1.522 17579 6 1 1 "Average Difference" HN 108 0.566 0.116 0.556 17579 7 1 2 "Average Difference" N 108 3.234 0.568 3.198 17579 8 1 2 "Average Difference" HA 121 0.415 0.012 0.417 17579 9 1 2 "Average Difference" C 103 1.422 -0.138 1.422 17579 10 1 2 "Average Difference" CA 113 1.693 -0.334 1.667 17579 11 1 2 "Average Difference" CB 106 1.632 -0.367 1.598 17579 12 1 2 "Average Difference" HN 108 0.571 0.102 0.565 17579 13 1 3 "Average Difference" N 108 3.235 0.685 3.176 17579 14 1 3 "Average Difference" HA 121 0.417 0.015 0.419 17579 15 1 3 "Average Difference" C 103 1.493 -0.145 1.493 17579 16 1 3 "Average Difference" CA 113 1.656 -0.290 1.638 17579 17 1 3 "Average Difference" CB 106 1.616 -0.373 1.580 17579 18 1 3 "Average Difference" HN 108 0.547 0.129 0.534 17579 19 1 4 "Average Difference" N 108 3.200 0.356 3.195 17579 20 1 4 "Average Difference" HA 121 0.434 0.004 0.436 17579 21 1 4 "Average Difference" C 103 1.457 -0.087 1.462 17579 22 1 4 "Average Difference" CA 113 1.706 -0.240 1.697 17579 23 1 4 "Average Difference" CB 106 1.623 -0.435 1.571 17579 24 1 4 "Average Difference" HN 108 0.547 0.126 0.534 17579 25 1 5 "Average Difference" N 108 2.975 0.439 2.956 17579 26 1 5 "Average Difference" HA 121 0.422 0.028 0.423 17579 27 1 5 "Average Difference" C 103 1.487 -0.202 1.481 17579 28 1 5 "Average Difference" CA 113 1.672 -0.355 1.642 17579 29 1 5 "Average Difference" CB 106 1.552 -0.367 1.515 17579 30 1 5 "Average Difference" HN 108 0.543 0.098 0.537 17579 31 1 6 "Average Difference" N 108 3.271 0.458 3.254 17579 32 1 6 "Average Difference" HA 121 0.431 0.005 0.433 17579 33 1 6 "Average Difference" C 103 1.470 -0.191 1.465 17579 34 1 6 "Average Difference" CA 113 1.730 -0.316 1.708 17579 35 1 6 "Average Difference" CB 106 1.628 -0.430 1.578 17579 36 1 6 "Average Difference" HN 108 0.545 0.111 0.536 17579 37 1 7 "Average Difference" N 108 3.226 0.565 3.191 17579 38 1 7 "Average Difference" HA 121 0.429 0.003 0.431 17579 39 1 7 "Average Difference" C 103 1.428 -0.096 1.432 17579 40 1 7 "Average Difference" CA 113 1.718 -0.281 1.702 17579 41 1 7 "Average Difference" CB 106 1.667 -0.399 1.626 17579 42 1 7 "Average Difference" HN 108 0.544 0.121 0.533 17579 43 1 8 "Average Difference" N 108 3.130 0.630 3.081 17579 44 1 8 "Average Difference" HA 121 0.425 0.029 0.425 17579 45 1 8 "Average Difference" C 103 1.455 -0.123 1.457 17579 46 1 8 "Average Difference" CA 113 1.705 -0.406 1.663 17579 47 1 8 "Average Difference" CB 106 1.712 -0.406 1.671 17579 48 1 8 "Average Difference" HN 108 0.556 0.150 0.538 17579 49 1 9 "Average Difference" N 108 3.171 0.571 3.133 17579 50 1 9 "Average Difference" HA 121 0.428 0.012 0.430 17579 51 1 9 "Average Difference" C 103 1.435 -0.084 1.439 17579 52 1 9 "Average Difference" CA 113 1.598 -0.294 1.577 17579 53 1 9 "Average Difference" CB 106 1.700 -0.486 1.636 17579 54 1 9 "Average Difference" HN 108 0.560 0.099 0.554 17579 55 1 10 "Average Difference" N 108 3.324 0.615 3.282 17579 56 1 10 "Average Difference" HA 121 0.417 0.016 0.418 17579 57 1 10 "Average Difference" C 103 1.373 -0.115 1.375 17579 58 1 10 "Average Difference" CA 113 1.667 -0.281 1.650 17579 59 1 10 "Average Difference" CB 106 1.604 -0.446 1.548 17579 60 1 10 "Average Difference" HN 108 0.541 0.107 0.533 17579 61 1 11 "Average Difference" N 108 3.282 0.531 3.253 17579 62 1 11 "Average Difference" HA 121 0.432 0.003 0.434 17579 63 1 11 "Average Difference" C 103 1.480 -0.146 1.480 17579 64 1 11 "Average Difference" CA 113 1.706 -0.264 1.693 17579 65 1 11 "Average Difference" CB 106 1.576 -0.376 1.537 17579 66 1 11 "Average Difference" HN 108 0.557 0.093 0.551 17579 67 1 12 "Average Difference" N 108 3.280 0.513 3.255 17579 68 1 12 "Average Difference" HA 121 0.431 0.006 0.433 17579 69 1 12 "Average Difference" C 103 1.459 -0.145 1.459 17579 70 1 12 "Average Difference" CA 113 1.564 -0.293 1.543 17579 71 1 12 "Average Difference" CB 106 1.593 -0.400 1.550 17579 72 1 12 "Average Difference" HN 108 0.550 0.123 0.538 17579 73 1 13 "Average Difference" N 108 3.495 0.525 3.471 17579 74 1 13 "Average Difference" HA 121 0.419 0.028 0.420 17579 75 1 13 "Average Difference" C 103 1.509 -0.192 1.504 17579 76 1 13 "Average Difference" CA 113 1.618 -0.421 1.570 17579 77 1 13 "Average Difference" CB 106 1.608 -0.404 1.563 17579 78 1 13 "Average Difference" HN 108 0.544 0.126 0.532 17579 79 1 14 "Average Difference" N 108 3.233 0.705 3.170 17579 80 1 14 "Average Difference" HA 121 0.416 0.003 0.417 17579 81 1 14 "Average Difference" C 103 1.413 -0.045 1.419 17579 82 1 14 "Average Difference" CA 113 1.789 -0.215 1.784 17579 83 1 14 "Average Difference" CB 106 1.632 -0.405 1.589 17579 84 1 14 "Average Difference" HN 108 0.568 0.119 0.557 17579 85 1 15 "Average Difference" N 108 3.133 0.489 3.109 17579 86 1 15 "Average Difference" HA 121 0.412 -0.008 0.414 17579 87 1 15 "Average Difference" C 103 1.523 -0.161 1.522 17579 88 1 15 "Average Difference" CA 113 1.679 -0.293 1.660 17579 89 1 15 "Average Difference" CB 106 1.672 -0.468 1.613 17579 90 1 15 "Average Difference" HN 108 0.552 0.099 0.546 17579 91 1 16 "Average Difference" N 108 3.217 0.616 3.172 17579 92 1 16 "Average Difference" HA 121 0.420 0.008 0.422 17579 93 1 16 "Average Difference" C 103 1.418 -0.163 1.416 17579 94 1 16 "Average Difference" CA 113 1.700 -0.252 1.689 17579 95 1 16 "Average Difference" CB 106 1.608 -0.440 1.554 17579 96 1 16 "Average Difference" HN 108 0.557 0.108 0.549 17579 97 1 17 "Average Difference" N 108 3.351 0.741 3.283 17579 98 1 17 "Average Difference" HA 121 0.439 -0.003 0.441 17579 99 1 17 "Average Difference" C 103 1.425 -0.080 1.430 17579 100 1 17 "Average Difference" CA 113 1.640 -0.223 1.632 17579 101 1 17 "Average Difference" CB 106 1.612 -0.416 1.565 17579 102 1 17 "Average Difference" HN 108 0.563 0.115 0.553 17579 103 1 18 "Average Difference" N 108 3.071 0.389 3.060 17579 104 1 18 "Average Difference" HA 121 0.418 0.006 0.420 17579 105 1 18 "Average Difference" C 103 1.415 -0.140 1.415 17579 106 1 18 "Average Difference" CA 113 1.628 -0.240 1.617 17579 107 1 18 "Average Difference" CB 106 1.616 -0.457 1.558 17579 108 1 18 "Average Difference" HN 108 0.574 0.098 0.568 17579 109 1 19 "Average Difference" N 108 3.257 0.610 3.214 17579 110 1 19 "Average Difference" HA 121 0.422 0.011 0.423 17579 111 1 19 "Average Difference" C 103 1.513 -0.121 1.515 17579 112 1 19 "Average Difference" CA 113 1.772 -0.347 1.746 17579 113 1 19 "Average Difference" CB 106 1.628 -0.450 1.572 17579 114 1 19 "Average Difference" HN 108 0.531 0.088 0.526 17579 115 1 20 "Average Difference" N 108 3.281 0.577 3.245 17579 116 1 20 "Average Difference" HA 121 0.446 0.017 0.447 17579 117 1 20 "Average Difference" C 103 1.481 -0.168 1.479 17579 118 1 20 "Average Difference" CA 113 1.653 -0.271 1.638 17579 119 1 20 "Average Difference" CB 106 1.616 -0.395 1.574 17579 120 1 20 "Average Difference" HN 108 0.520 0.113 0.510 17579 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 17579 _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 LYS N N 37 124.936 124.936 123.078 1.858 17579 2 1 . 1 1 2 2 LYS HA H 37 4.053 4.053 4.107 -0.054 17579 3 1 . 1 1 2 2 LYS C C 37 172.929 172.929 178.012 -5.083 17579 4 1 . 1 1 2 2 LYS CA C 37 60.975 60.975 58.769 2.206 17579 5 1 . 1 1 2 2 LYS CB C 37 32.607 32.607 32.122 0.485 17579 6 1 . 1 1 2 2 LYS H H 37 7.564 7.564 8.497 -0.933 17579 7 1 . 1 1 3 3 LYS N N 38 118.300 118.300 118.458 -0.158 17579 8 1 . 1 1 3 3 LYS HA H 38 4.045 4.045 4.056 -0.011 17579 9 1 . 1 1 3 3 LYS C C 38 179.361 179.361 178.281 1.080 17579 10 1 . 1 1 3 3 LYS CA C 38 59.930 59.930 58.683 1.247 17579 11 1 . 1 1 3 3 LYS CB C 38 32.885 32.885 31.698 1.187 17579 12 1 . 1 1 3 3 LYS H H 38 8.234 8.234 8.233 0.001 17579 13 1 . 1 1 4 4 LEU N N 39 122.081 122.081 121.425 0.656 17579 14 1 . 1 1 4 4 LEU HA H 39 4.135 4.135 3.879 0.256 17579 15 1 . 1 1 4 4 LEU C C 39 178.433 178.433 178.147 0.286 17579 16 1 . 1 1 4 4 LEU CA C 39 57.726 57.726 58.512 -0.786 17579 17 1 . 1 1 4 4 LEU CB C 39 40.588 40.588 41.657 -1.069 17579 18 1 . 1 1 4 4 LEU H H 39 7.856 7.856 7.731 0.125 17579 19 1 . 1 1 5 5 ASN N N 40 118.758 118.758 116.082 2.676 17579 20 1 . 1 1 5 5 ASN HA H 40 3.994 3.994 4.233 -0.239 17579 21 1 . 1 1 5 5 ASN C C 40 176.246 176.246 177.321 -1.075 17579 22 1 . 1 1 5 5 ASN CA C 40 57.843 57.843 56.487 1.356 17579 23 1 . 1 1 5 5 ASN CB C 40 40.430 40.430 38.210 2.220 17579 24 1 . 1 1 5 5 ASN H H 40 9.241 9.241 7.946 1.295 17579 25 1 . 1 1 6 6 LYS N N 41 115.665 115.665 120.124 -4.459 17579 26 1 . 1 1 6 6 LYS HA H 41 3.929 3.929 3.928 0.001 17579 27 1 . 1 1 6 6 LYS C C 41 179.318 179.318 179.033 0.285 17579 28 1 . 1 1 6 6 LYS CA C 41 60.130 60.130 59.484 0.646 17579 29 1 . 1 1 6 6 LYS CB C 41 32.580 32.580 32.141 0.439 17579 30 1 . 1 1 6 6 LYS H H 41 7.239 7.239 7.594 -0.355 17579 31 1 . 1 1 7 7 LYS N N 42 119.038 119.038 119.365 -0.327 17579 32 1 . 1 1 7 7 LYS HA H 42 4.037 4.037 4.014 0.023 17579 33 1 . 1 1 7 7 LYS C C 42 180.428 180.428 179.143 1.285 17579 34 1 . 1 1 7 7 LYS CA C 42 60.178 60.178 59.390 0.788 17579 35 1 . 1 1 7 7 LYS CB C 42 33.670 33.670 32.319 1.351 17579 36 1 . 1 1 7 7 LYS H H 42 7.358 7.358 7.942 -0.584 17579 37 1 . 1 1 8 8 VAL N N 43 122.489 122.489 119.531 2.958 17579 38 1 . 1 1 8 8 VAL HA H 43 3.263 3.263 3.755 -0.492 17579 39 1 . 1 1 8 8 VAL C C 43 177.823 177.823 178.245 -0.422 17579 40 1 . 1 1 8 8 VAL CA C 43 67.836 67.836 66.754 1.082 17579 41 1 . 1 1 8 8 VAL CB C 43 31.523 31.523 31.449 0.074 17579 42 1 . 1 1 8 8 VAL H H 43 9.167 9.167 8.226 0.941 17579 43 1 . 1 1 9 9 LEU N N 44 119.740 119.740 118.981 0.759 17579 44 1 . 1 1 9 9 LEU HA H 44 3.964 3.964 3.953 0.011 17579 45 1 . 1 1 9 9 LEU C C 44 179.700 179.700 179.018 0.682 17579 46 1 . 1 1 9 9 LEU CA C 44 58.742 58.742 58.484 0.258 17579 47 1 . 1 1 9 9 LEU CB C 44 41.239 41.239 41.056 0.183 17579 48 1 . 1 1 9 9 LEU H H 44 8.437 8.437 8.381 0.056 17579 49 1 . 1 1 10 10 LYS N N 45 119.832 119.832 119.043 0.789 17579 50 1 . 1 1 10 10 LYS HA H 45 4.013 4.013 4.065 -0.052 17579 51 1 . 1 1 10 10 LYS C C 45 178.847 178.847 179.234 -0.387 17579 52 1 . 1 1 10 10 LYS CA C 45 60.146 60.146 59.380 0.767 17579 53 1 . 1 1 10 10 LYS CB C 45 32.583 32.583 31.823 0.760 17579 54 1 . 1 1 10 10 LYS H H 45 7.857 7.857 8.263 -0.406 17579 55 1 . 1 1 11 11 THR N N 46 116.695 116.695 117.353 -0.658 17579 56 1 . 1 1 11 11 THR HA H 46 4.327 4.327 4.070 0.257 17579 57 1 . 1 1 11 11 THR C C 46 176.211 176.211 176.521 -0.310 17579 58 1 . 1 1 11 11 THR CA C 46 68.237 68.237 66.928 1.309 17579 59 1 . 1 1 11 11 THR CB C 46 68.312 68.312 68.684 -0.372 17579 60 1 . 1 1 11 11 THR H H 46 7.796 7.796 8.119 -0.323 17579 61 1 . 1 1 12 12 VAL N N 47 122.013 122.013 121.843 0.169 17579 62 1 . 1 1 12 12 VAL HA H 47 3.235 3.235 3.668 -0.433 17579 63 1 . 1 1 12 12 VAL C C 47 177.909 177.909 177.045 0.864 17579 64 1 . 1 1 12 12 VAL CA C 47 67.838 67.838 65.710 2.128 17579 65 1 . 1 1 12 12 VAL CB C 47 31.706 31.706 31.633 0.073 17579 66 1 . 1 1 12 12 VAL H H 47 8.762 8.762 8.212 0.550 17579 67 1 . 1 1 13 13 LYS N N 48 118.035 118.035 119.404 -1.369 17579 68 1 . 1 1 13 13 LYS HA H 48 3.828 3.828 4.001 -0.173 17579 69 1 . 1 1 13 13 LYS CA C 48 59.960 59.960 59.319 0.641 17579 70 1 . 1 1 13 13 LYS CB C 48 32.837 32.837 32.165 0.672 17579 71 1 . 1 1 13 13 LYS H H 48 7.492 7.492 8.079 -0.587 17579 72 1 . 1 1 14 14 LYS N N 49 120.565 120.565 117.774 2.791 17579 73 1 . 1 1 14 14 LYS HA H 49 3.952 3.952 4.106 -0.154 17579 74 1 . 1 1 14 14 LYS C C 49 179.608 179.608 178.952 0.656 17579 75 1 . 1 1 14 14 LYS CA C 49 59.950 59.950 58.600 1.350 17579 76 1 . 1 1 14 14 LYS CB C 49 33.723 33.723 32.520 1.203 17579 77 1 . 1 1 14 14 LYS H H 49 7.498 7.498 7.895 -0.397 17579 78 1 . 1 1 15 15 ALA N N 50 122.192 122.192 121.535 0.657 17579 79 1 . 1 1 15 15 ALA HA H 50 3.467 3.467 3.884 -0.417 17579 80 1 . 1 1 15 15 ALA C C 50 179.970 179.970 179.223 0.747 17579 81 1 . 1 1 15 15 ALA CA C 50 54.950 54.950 54.267 0.683 17579 82 1 . 1 1 15 15 ALA CB C 50 19.270 19.270 17.719 1.551 17579 83 1 . 1 1 15 15 ALA H H 50 8.529 8.529 8.004 0.525 17579 84 1 . 1 1 16 16 SER N N 51 116.624 116.624 113.540 3.084 17579 85 1 . 1 1 16 16 SER HA H 51 4.696 4.696 4.120 0.576 17579 86 1 . 1 1 16 16 SER C C 51 178.705 178.705 176.248 2.457 17579 87 1 . 1 1 16 16 SER CA C 51 62.206 62.206 61.233 0.973 17579 88 1 . 1 1 16 16 SER CB C 51 62.918 62.918 62.957 -0.039 17579 89 1 . 1 1 16 16 SER H H 51 8.542 8.542 8.070 0.472 17579 90 1 . 1 1 17 17 LYS N N 52 124.866 124.866 120.009 4.857 17579 91 1 . 1 1 17 17 LYS HA H 52 4.051 4.051 4.186 -0.135 17579 92 1 . 1 1 17 17 LYS C C 52 177.563 177.563 177.098 0.465 17579 93 1 . 1 1 17 17 LYS CA C 52 59.290 59.290 57.549 1.741 17579 94 1 . 1 1 17 17 LYS CB C 52 32.104 32.104 32.572 -0.468 17579 95 1 . 1 1 17 17 LYS H H 52 7.553 7.553 7.509 0.044 17579 96 1 . 1 1 18 18 ALA N N 53 118.801 118.801 119.924 -1.123 17579 97 1 . 1 1 18 18 ALA HA H 53 4.280 4.280 4.364 -0.084 17579 98 1 . 1 1 18 18 ALA C C 53 175.253 175.253 176.516 -1.263 17579 99 1 . 1 1 18 18 ALA CA C 53 52.222 52.222 51.429 0.793 17579 100 1 . 1 1 18 18 ALA CB C 53 19.566 19.566 19.092 0.474 17579 101 1 . 1 1 18 18 ALA H H 53 7.092 7.092 7.438 -0.346 17579 102 1 . 1 1 19 19 LYS N N 54 112.119 112.119 116.409 -4.290 17579 103 1 . 1 1 19 19 LYS HA H 54 4.027 4.027 3.935 0.092 17579 104 1 . 1 1 19 19 LYS C C 54 177.191 177.191 175.441 1.750 17579 105 1 . 1 1 19 19 LYS CA C 54 57.435 57.435 57.191 0.244 17579 106 1 . 1 1 19 19 LYS CB C 54 28.420 28.420 30.326 -1.906 17579 107 1 . 1 1 19 19 LYS H H 54 7.644 7.644 7.606 0.038 17579 108 1 . 1 1 20 20 ASN N N 55 116.236 116.236 114.947 1.289 17579 109 1 . 1 1 20 20 ASN HA H 55 5.090 5.090 4.782 0.308 17579 110 1 . 1 1 20 20 ASN C C 55 173.176 173.176 174.608 -1.432 17579 111 1 . 1 1 20 20 ASN CA C 55 51.617 51.617 53.809 -2.192 17579 112 1 . 1 1 20 20 ASN CB C 55 40.642 40.642 40.412 0.230 17579 113 1 . 1 1 20 20 ASN H H 55 8.099 8.099 7.877 0.222 17579 114 1 . 1 1 21 21 VAL N N 56 115.268 115.268 117.846 -2.578 17579 115 1 . 1 1 21 21 VAL HA H 56 4.864 4.864 4.238 0.626 17579 116 1 . 1 1 21 21 VAL C C 56 175.526 175.526 174.762 0.764 17579 117 1 . 1 1 21 21 VAL CA C 56 61.314 61.314 61.404 -0.090 17579 118 1 . 1 1 21 21 VAL CB C 56 35.532 35.532 32.860 2.672 17579 119 1 . 1 1 21 21 VAL H H 56 7.621 7.621 7.683 -0.062 17579 120 1 . 1 1 22 22 LYS N N 57 126.903 126.903 128.553 -1.650 17579 121 1 . 1 1 22 22 LYS HA H 57 4.682 4.682 4.717 -0.035 17579 122 1 . 1 1 22 22 LYS C C 57 175.564 175.564 175.285 0.279 17579 123 1 . 1 1 22 22 LYS CA C 57 54.694 54.694 54.492 0.202 17579 124 1 . 1 1 22 22 LYS CB C 57 33.975 33.975 34.027 -0.052 17579 125 1 . 1 1 22 22 LYS H H 57 9.006 9.006 8.519 0.487 17579 126 1 . 1 1 23 23 ARG N N 58 122.053 122.053 123.195 -1.142 17579 127 1 . 1 1 23 23 ARG HA H 58 4.850 4.850 4.532 0.318 17579 128 1 . 1 1 23 23 ARG C C 58 176.136 176.136 176.509 -0.373 17579 129 1 . 1 1 23 23 ARG CA C 58 56.100 56.100 55.009 1.091 17579 130 1 . 1 1 23 23 ARG CB C 58 33.752 33.752 31.476 2.276 17579 131 1 . 1 1 23 23 ARG H H 58 8.994 8.994 8.853 0.141 17579 132 1 . 1 1 24 24 GLY N N 59 110.836 110.836 109.222 1.614 17579 133 1 . 1 1 24 24 GLY C C 59 173.053 173.053 174.176 -1.123 17579 134 1 . 1 1 24 24 GLY CA C 59 45.028 45.028 44.410 0.618 17579 135 1 . 1 1 24 24 GLY H H 59 8.205 8.205 8.312 -0.107 17579 136 1 . 1 1 25 25 VAL N N 60 119.573 119.573 121.618 -2.045 17579 137 1 . 1 1 25 25 VAL HA H 60 4.117 4.117 3.720 0.397 17579 138 1 . 1 1 25 25 VAL C C 60 176.366 176.366 177.051 -0.685 17579 139 1 . 1 1 25 25 VAL CA C 60 67.542 67.542 65.448 2.093 17579 140 1 . 1 1 25 25 VAL CB C 60 32.147 32.147 31.966 0.181 17579 141 1 . 1 1 25 25 VAL H H 60 8.219 8.219 8.542 -0.323 17579 142 1 . 1 1 26 26 LYS N N 61 117.987 117.987 119.430 -1.443 17579 143 1 . 1 1 26 26 LYS HA H 61 3.896 3.896 4.028 -0.132 17579 144 1 . 1 1 26 26 LYS C C 61 180.230 180.230 178.504 1.726 17579 145 1 . 1 1 26 26 LYS CA C 61 60.492 60.492 59.810 0.682 17579 146 1 . 1 1 26 26 LYS CB C 61 32.356 32.356 31.886 0.470 17579 147 1 . 1 1 26 26 LYS H H 61 8.112 8.112 8.411 -0.299 17579 148 1 . 1 1 27 27 GLU N N 62 117.610 117.610 118.806 -1.196 17579 149 1 . 1 1 27 27 GLU HA H 62 3.937 3.937 4.083 -0.146 17579 150 1 . 1 1 27 27 GLU C C 62 180.103 180.103 179.170 0.933 17579 151 1 . 1 1 27 27 GLU CA C 62 59.119 59.119 59.364 -0.245 17579 152 1 . 1 1 27 27 GLU CB C 62 30.052 30.052 28.972 1.080 17579 153 1 . 1 1 27 27 GLU H H 62 8.493 8.493 8.200 0.293 17579 154 1 . 1 1 28 28 VAL N N 63 120.585 120.585 120.041 0.544 17579 155 1 . 1 1 28 28 VAL HA H 63 3.478 3.478 3.910 -0.432 17579 156 1 . 1 1 28 28 VAL C C 63 176.970 176.970 177.929 -0.959 17579 157 1 . 1 1 28 28 VAL CA C 63 68.197 68.197 67.020 1.177 17579 158 1 . 1 1 28 28 VAL CB C 63 31.632 31.632 31.707 -0.075 17579 159 1 . 1 1 28 28 VAL H H 63 8.241 8.241 8.079 0.162 17579 160 1 . 1 1 29 29 VAL N N 64 118.622 118.622 119.858 -1.236 17579 161 1 . 1 1 29 29 VAL HA H 64 3.333 3.333 3.637 -0.304 17579 162 1 . 1 1 29 29 VAL C C 64 177.709 177.709 177.975 -0.266 17579 163 1 . 1 1 29 29 VAL CA C 64 67.751 67.751 66.479 1.272 17579 164 1 . 1 1 29 29 VAL CB C 64 31.553 31.553 31.440 0.113 17579 165 1 . 1 1 29 29 VAL H H 64 8.510 8.510 8.068 0.442 17579 166 1 . 1 1 30 30 LYS N N 65 118.138 118.138 119.373 -1.235 17579 167 1 . 1 1 30 30 LYS HA H 65 3.855 3.855 4.003 -0.148 17579 168 1 . 1 1 30 30 LYS C C 65 178.693 178.693 178.680 0.013 17579 169 1 . 1 1 30 30 LYS CA C 65 59.986 59.986 59.432 0.554 17579 170 1 . 1 1 30 30 LYS CB C 65 32.800 32.800 32.080 0.720 17579 171 1 . 1 1 30 30 LYS H H 65 7.533 7.533 8.098 -0.565 17579 172 1 . 1 1 31 31 ALA N N 66 120.585 120.585 121.566 -0.981 17579 173 1 . 1 1 31 31 ALA HA H 66 4.049 4.049 4.129 -0.080 17579 174 1 . 1 1 31 31 ALA C C 66 179.745 179.745 178.950 0.795 17579 175 1 . 1 1 31 31 ALA CA C 66 55.288 55.288 54.529 0.759 17579 176 1 . 1 1 31 31 ALA CB C 66 19.207 19.207 18.225 0.982 17579 177 1 . 1 1 31 31 ALA H H 66 7.489 7.489 7.977 -0.488 17579 178 1 . 1 1 32 32 LEU N N 67 119.402 119.402 115.632 3.770 17579 179 1 . 1 1 32 32 LEU HA H 67 3.976 3.976 4.217 -0.241 17579 180 1 . 1 1 32 32 LEU C C 67 180.917 180.917 178.434 2.483 17579 181 1 . 1 1 32 32 LEU CA C 67 58.115 58.115 56.933 1.182 17579 182 1 . 1 1 32 32 LEU CB C 67 42.554 42.554 41.907 0.647 17579 183 1 . 1 1 32 32 LEU H H 67 8.332 8.332 7.585 0.747 17579 184 1 . 1 1 33 33 ARG N N 68 116.408 116.408 119.665 -3.257 17579 185 1 . 1 1 33 33 ARG HA H 68 3.787 3.787 4.155 -0.368 17579 186 1 . 1 1 33 33 ARG C C 68 178.472 178.472 177.993 0.479 17579 187 1 . 1 1 33 33 ARG CA C 68 59.581 59.581 58.379 1.202 17579 188 1 . 1 1 33 33 ARG CB C 68 29.946 29.946 30.522 -0.576 17579 189 1 . 1 1 33 33 ARG H H 68 8.147 8.147 7.990 0.157 17579 190 1 . 1 1 34 34 LYS N N 69 117.866 117.866 117.491 0.375 17579 191 1 . 1 1 34 34 LYS HA H 69 4.232 4.232 4.235 -0.003 17579 192 1 . 1 1 34 34 LYS C C 69 177.005 177.005 177.098 -0.093 17579 193 1 . 1 1 34 34 LYS CA C 69 56.788 56.788 56.719 0.069 17579 194 1 . 1 1 34 34 LYS CB C 69 33.008 33.008 32.511 0.497 17579 195 1 . 1 1 34 34 LYS H H 69 7.606 7.606 8.190 -0.584 17579 196 1 . 1 1 35 35 GLY N N 70 106.799 106.799 105.239 1.560 17579 197 1 . 1 1 35 35 GLY C C 70 175.547 175.547 174.399 1.148 17579 198 1 . 1 1 35 35 GLY CA C 70 45.969 45.969 45.143 0.826 17579 199 1 . 1 1 35 35 GLY H H 70 7.678 7.678 7.924 -0.246 17579 200 1 . 1 1 36 36 GLU N N 71 119.492 119.492 121.956 -2.464 17579 201 1 . 1 1 36 36 GLU HA H 71 4.199 4.199 4.343 -0.144 17579 202 1 . 1 1 36 36 GLU C C 71 175.625 175.625 175.382 0.243 17579 203 1 . 1 1 36 36 GLU CA C 71 57.696 57.696 55.172 2.524 17579 204 1 . 1 1 36 36 GLU CB C 71 29.620 29.620 28.064 1.556 17579 205 1 . 1 1 36 36 GLU H H 71 7.686 7.686 8.458 -0.772 17579 206 1 . 1 1 37 37 LYS N N 72 118.433 118.433 121.707 -3.274 17579 207 1 . 1 1 37 37 LYS HA H 72 4.863 4.863 4.449 0.414 17579 208 1 . 1 1 37 37 LYS C C 72 175.983 175.983 176.098 -0.115 17579 209 1 . 1 1 37 37 LYS CA C 72 54.299 54.299 54.300 -0.001 17579 210 1 . 1 1 37 37 LYS CB C 72 35.140 35.140 34.024 1.116 17579 211 1 . 1 1 37 37 LYS H H 72 8.202 8.202 7.702 0.500 17579 212 1 . 1 1 38 38 GLY N N 73 104.719 104.719 107.557 -2.838 17579 213 1 . 1 1 38 38 GLY C C 73 172.071 172.071 173.262 -1.191 17579 214 1 . 1 1 38 38 GLY CA C 73 46.798 46.798 45.909 0.889 17579 215 1 . 1 1 38 38 GLY H H 73 7.214 7.214 8.886 -1.672 17579 216 1 . 1 1 39 39 LEU N N 74 125.471 125.471 122.893 2.578 17579 217 1 . 1 1 39 39 LEU HA H 74 4.992 4.992 4.970 0.022 17579 218 1 . 1 1 39 39 LEU C C 74 174.651 174.651 174.703 -0.052 17579 219 1 . 1 1 39 39 LEU CA C 74 54.686 54.686 54.877 -0.191 17579 220 1 . 1 1 39 39 LEU CB C 74 47.360 47.360 46.002 1.358 17579 221 1 . 1 1 39 39 LEU H H 74 8.930 8.930 8.204 0.726 17579 222 1 . 1 1 40 40 VAL N N 75 130.975 130.975 127.947 3.028 17579 223 1 . 1 1 40 40 VAL HA H 75 4.649 4.649 3.926 0.723 17579 224 1 . 1 1 40 40 VAL C C 75 173.868 173.868 175.380 -1.512 17579 225 1 . 1 1 40 40 VAL CA C 75 62.513 62.513 61.396 1.117 17579 226 1 . 1 1 40 40 VAL CB C 75 32.856 32.856 30.625 2.231 17579 227 1 . 1 1 40 40 VAL H H 75 8.549 8.549 8.883 -0.334 17579 228 1 . 1 1 41 41 VAL N N 76 127.452 127.452 129.179 -1.727 17579 229 1 . 1 1 41 41 VAL HA H 76 4.645 4.645 4.456 0.189 17579 230 1 . 1 1 41 41 VAL C C 76 173.931 173.931 175.348 -1.417 17579 231 1 . 1 1 41 41 VAL CA C 76 61.015 61.015 61.978 -0.964 17579 232 1 . 1 1 41 41 VAL CB C 76 33.844 33.844 31.415 2.429 17579 233 1 . 1 1 41 41 VAL H H 76 8.754 8.754 8.561 0.193 17579 234 1 . 1 1 42 42 ILE N N 77 126.301 126.301 127.899 -1.598 17579 235 1 . 1 1 42 42 ILE HA H 77 4.455 4.455 5.152 -0.697 17579 236 1 . 1 1 42 42 ILE C C 77 174.965 174.965 174.870 0.095 17579 237 1 . 1 1 42 42 ILE CA C 77 59.842 59.842 57.752 2.090 17579 238 1 . 1 1 42 42 ILE CB C 77 40.257 40.257 41.105 -0.848 17579 239 1 . 1 1 42 42 ILE H H 77 8.530 8.530 8.838 -0.308 17579 240 1 . 1 1 43 43 ALA N N 78 128.716 128.716 128.386 0.330 17579 241 1 . 1 1 43 43 ALA HA H 78 4.469 4.469 4.907 -0.438 17579 242 1 . 1 1 43 43 ALA C C 78 177.979 177.979 178.841 -0.862 17579 243 1 . 1 1 43 43 ALA CA C 78 52.398 52.398 50.762 1.636 17579 244 1 . 1 1 43 43 ALA CB C 78 19.600 19.600 19.135 0.465 17579 245 1 . 1 1 43 43 ALA H H 78 8.538 8.538 8.327 0.211 17579 246 1 . 1 1 44 44 GLY N N 79 104.343 104.343 111.537 -7.194 17579 247 1 . 1 1 44 44 GLY C C 79 173.472 173.472 174.654 -1.182 17579 248 1 . 1 1 44 44 GLY CA C 79 46.239 46.239 46.866 -0.627 17579 249 1 . 1 1 44 44 GLY H H 79 9.090 9.090 8.554 0.536 17579 250 1 . 1 1 45 45 ASP N N 80 118.154 118.154 119.073 -0.919 17579 251 1 . 1 1 45 45 ASP HA H 80 4.855 4.855 4.648 0.207 17579 252 1 . 1 1 45 45 ASP C C 80 176.500 176.500 175.652 0.848 17579 253 1 . 1 1 45 45 ASP CA C 80 52.804 52.804 54.679 -1.875 17579 254 1 . 1 1 45 45 ASP CB C 80 39.410 39.410 41.763 -2.353 17579 255 1 . 1 1 45 45 ASP H H 80 8.603 8.603 8.474 0.129 17579 256 1 . 1 1 46 46 ILE N N 81 118.477 118.477 120.582 -2.105 17579 257 1 . 1 1 46 46 ILE HA H 81 4.073 4.073 4.347 -0.274 17579 258 1 . 1 1 46 46 ILE C C 81 173.822 173.822 173.890 -0.068 17579 259 1 . 1 1 46 46 ILE CA C 81 59.882 59.882 60.814 -0.932 17579 260 1 . 1 1 46 46 ILE CB C 81 39.136 39.136 39.864 -0.728 17579 261 1 . 1 1 46 46 ILE H H 81 6.846 6.846 7.517 -0.671 17579 262 1 . 1 1 47 47 SER N N 82 117.552 117.552 120.585 -3.033 17579 263 1 . 1 1 47 47 SER HA H 82 4.628 4.628 4.766 -0.138 17579 264 1 . 1 1 47 47 SER C C 82 176.920 176.920 172.703 4.217 17579 265 1 . 1 1 47 47 SER CA C 82 55.444 55.444 55.968 -0.524 17579 266 1 . 1 1 47 47 SER CB C 82 65.268 65.268 64.592 0.676 17579 267 1 . 1 1 47 47 SER H H 82 7.774 7.774 8.194 -0.420 17579 268 1 . 1 1 48 48 PRO HA H 83 4.259 4.259 4.544 -0.285 17579 269 1 . 1 1 48 48 PRO CA C 83 62.312 62.312 62.622 -0.310 17579 270 1 . 1 1 48 48 PRO CB C 83 30.564 30.564 32.187 -1.623 17579 271 1 . 1 1 49 49 ALA N N 84 122.207 122.207 120.158 2.049 17579 272 1 . 1 1 49 49 ALA HA H 84 3.978 3.978 4.204 -0.226 17579 273 1 . 1 1 49 49 ALA C C 84 178.699 178.699 178.447 0.253 17579 274 1 . 1 1 49 49 ALA CA C 84 54.704 54.704 53.819 0.885 17579 275 1 . 1 1 49 49 ALA CB C 84 19.393 19.393 18.715 0.677 17579 276 1 . 1 1 49 49 ALA H H 84 8.091 8.091 8.372 -0.281 17579 277 1 . 1 1 50 50 ASP N N 85 113.440 113.440 119.186 -5.746 17579 278 1 . 1 1 50 50 ASP HA H 85 4.338 4.338 4.485 -0.147 17579 279 1 . 1 1 50 50 ASP C C 85 177.723 177.723 178.153 -0.430 17579 280 1 . 1 1 50 50 ASP CA C 85 56.203 56.203 56.321 -0.118 17579 281 1 . 1 1 50 50 ASP CB C 85 40.562 40.562 40.443 0.119 17579 282 1 . 1 1 50 50 ASP H H 85 8.148 8.148 8.433 -0.285 17579 283 1 . 1 1 51 51 VAL N N 86 116.604 116.604 119.206 -2.602 17579 284 1 . 1 1 51 51 VAL HA H 86 3.925 3.925 3.766 0.159 17579 285 1 . 1 1 51 51 VAL C C 86 176.966 176.966 177.096 -0.130 17579 286 1 . 1 1 51 51 VAL CA C 86 65.241 65.241 65.665 -0.424 17579 287 1 . 1 1 51 51 VAL CB C 86 32.467 32.467 31.629 0.838 17579 288 1 . 1 1 51 51 VAL H H 86 7.538 7.538 7.777 -0.239 17579 289 1 . 1 1 52 52 ILE N N 87 108.211 108.211 117.713 -9.502 17579 290 1 . 1 1 52 52 ILE HA H 87 4.565 4.565 3.897 0.668 17579 291 1 . 1 1 52 52 ILE C C 87 178.116 178.116 176.841 1.275 17579 292 1 . 1 1 52 52 ILE CA C 87 60.165 60.165 63.209 -3.044 17579 293 1 . 1 1 52 52 ILE CB C 87 41.048 41.048 37.268 3.780 17579 294 1 . 1 1 52 52 ILE H H 87 7.283 7.283 7.801 -0.518 17579 295 1 . 1 1 53 53 SER N N 88 116.088 116.088 114.649 1.439 17579 296 1 . 1 1 53 53 SER HA H 88 4.538 4.538 4.439 0.099 17579 297 1 . 1 1 53 53 SER CA C 88 61.852 61.852 59.863 1.988 17579 298 1 . 1 1 53 53 SER CB C 88 62.604 62.604 64.054 -1.451 17579 299 1 . 1 1 53 53 SER H H 88 7.845 7.845 7.908 -0.063 17579 300 1 . 1 1 54 54 HIS N N 89 121.004 121.004 121.025 -0.021 17579 301 1 . 1 1 54 54 HIS HA H 89 4.590 4.590 4.561 0.029 17579 302 1 . 1 1 54 54 HIS C C 89 176.530 176.530 176.913 -0.383 17579 303 1 . 1 1 54 54 HIS CA C 89 56.554 56.554 58.192 -1.638 17579 304 1 . 1 1 54 54 HIS CB C 89 33.261 33.261 31.098 2.163 17579 305 1 . 1 1 54 54 HIS H H 89 8.450 8.450 8.074 0.376 17579 306 1 . 1 1 55 55 ILE N N 90 123.909 123.909 121.899 2.010 17579 307 1 . 1 1 55 55 ILE HA H 90 4.583 4.583 3.584 0.999 17579 308 1 . 1 1 55 55 ILE CA C 90 62.230 62.230 66.635 -4.405 17579 309 1 . 1 1 55 55 ILE CB C 90 42.418 42.418 35.240 7.178 17579 310 1 . 1 1 55 55 ILE H H 90 8.142 8.142 8.401 -0.259 17579 311 1 . 1 1 56 56 PRO HA H 91 2.974 2.974 4.281 -1.307 17579 312 1 . 1 1 56 56 PRO C C 91 177.132 177.132 178.886 -1.754 17579 313 1 . 1 1 56 56 PRO CA C 91 66.917 66.917 65.868 1.049 17579 314 1 . 1 1 56 56 PRO CB C 91 31.519 31.519 31.092 0.427 17579 315 1 . 1 1 57 57 VAL N N 92 114.761 114.761 119.150 -4.389 17579 316 1 . 1 1 57 57 VAL HA H 92 3.570 3.570 3.741 -0.171 17579 317 1 . 1 1 57 57 VAL C C 92 177.995 177.995 178.010 -0.015 17579 318 1 . 1 1 57 57 VAL CA C 92 66.358 66.358 66.270 0.088 17579 319 1 . 1 1 57 57 VAL CB C 92 31.694 31.694 31.586 0.108 17579 320 1 . 1 1 57 57 VAL H H 92 6.505 6.505 7.362 -0.857 17579 321 1 . 1 1 58 58 LEU N N 93 120.572 120.572 118.785 1.787 17579 322 1 . 1 1 58 58 LEU HA H 93 4.200 4.200 4.123 0.077 17579 323 1 . 1 1 58 58 LEU C C 93 180.452 180.452 178.603 1.849 17579 324 1 . 1 1 58 58 LEU CA C 93 57.938 57.938 58.174 -0.236 17579 325 1 . 1 1 58 58 LEU CB C 93 43.394 43.394 41.030 2.364 17579 326 1 . 1 1 58 58 LEU H H 93 7.432 7.432 8.312 -0.880 17579 327 1 . 1 1 59 59 CYS N N 94 117.330 117.330 118.705 -1.375 17579 328 1 . 1 1 59 59 CYS HA H 94 3.827 3.827 4.180 -0.353 17579 329 1 . 1 1 59 59 CYS C C 94 177.986 177.986 176.544 1.441 17579 330 1 . 1 1 59 59 CYS CA C 94 65.483 65.483 63.034 2.449 17579 331 1 . 1 1 59 59 CYS CB C 94 26.552 26.552 27.455 -0.903 17579 332 1 . 1 1 59 59 CYS H H 94 8.423 8.423 8.093 0.330 17579 333 1 . 1 1 60 60 GLU N N 95 120.766 120.766 119.140 1.626 17579 334 1 . 1 1 60 60 GLU HA H 95 3.512 3.512 4.160 -0.648 17579 335 1 . 1 1 60 60 GLU C C 95 180.736 180.736 177.440 3.296 17579 336 1 . 1 1 60 60 GLU CA C 95 59.909 59.909 58.452 1.457 17579 337 1 . 1 1 60 60 GLU CB C 95 29.108 29.108 29.503 -0.395 17579 338 1 . 1 1 60 60 GLU H H 95 8.237 8.237 7.928 0.309 17579 339 1 . 1 1 61 61 ASP N N 96 120.591 120.591 118.669 1.922 17579 340 1 . 1 1 61 61 ASP HA H 96 4.311 4.311 4.497 -0.186 17579 341 1 . 1 1 61 61 ASP C C 96 178.004 178.004 177.378 0.626 17579 342 1 . 1 1 61 61 ASP CA C 96 57.549 57.549 56.104 1.445 17579 343 1 . 1 1 61 61 ASP CB C 96 41.083 41.083 41.388 -0.305 17579 344 1 . 1 1 61 61 ASP H H 96 8.345 8.345 7.884 0.461 17579 345 1 . 1 1 62 62 HIS N N 97 115.844 115.844 115.383 0.461 17579 346 1 . 1 1 62 62 HIS HA H 97 4.575 4.575 4.807 -0.232 17579 347 1 . 1 1 62 62 HIS C C 97 173.728 173.728 174.384 -0.656 17579 348 1 . 1 1 62 62 HIS CA C 97 57.418 57.418 55.921 1.497 17579 349 1 . 1 1 62 62 HIS CB C 97 30.067 30.067 32.563 -2.496 17579 350 1 . 1 1 62 62 HIS H H 97 7.663 7.663 7.881 -0.218 17579 351 1 . 1 1 63 63 SER N N 98 114.813 114.813 114.912 -0.099 17579 352 1 . 1 1 63 63 SER HA H 98 4.097 4.097 4.165 -0.068 17579 353 1 . 1 1 63 63 SER C C 98 173.789 173.789 173.349 0.440 17579 354 1 . 1 1 63 63 SER CA C 98 59.255 59.255 58.964 0.291 17579 355 1 . 1 1 63 63 SER CB C 98 61.602 61.602 61.915 -0.313 17579 356 1 . 1 1 63 63 SER H H 98 7.861 7.861 8.118 -0.257 17579 357 1 . 1 1 64 64 VAL N N 99 123.227 123.227 122.570 0.657 17579 358 1 . 1 1 64 64 VAL HA H 99 4.157 4.157 4.452 -0.295 17579 359 1 . 1 1 64 64 VAL C C 99 174.345 174.345 174.595 -0.250 17579 360 1 . 1 1 64 64 VAL CA C 99 58.923 58.923 59.736 -0.813 17579 361 1 . 1 1 64 64 VAL CB C 99 35.133 35.133 34.437 0.696 17579 362 1 . 1 1 64 64 VAL H H 99 8.603 8.603 7.945 0.658 17579 363 1 . 1 1 65 65 PRO HA H 100 4.260 4.260 4.489 -0.229 17579 364 1 . 1 1 65 65 PRO C C 100 173.335 173.335 175.164 -1.828 17579 365 1 . 1 1 65 65 PRO CA C 100 63.165 63.165 63.017 0.148 17579 366 1 . 1 1 65 65 PRO CB C 100 32.083 32.083 29.833 2.251 17579 367 1 . 1 1 66 66 TYR N N 101 114.840 114.840 124.508 -9.668 17579 368 1 . 1 1 66 66 TYR HA H 101 5.900 5.900 4.758 1.142 17579 369 1 . 1 1 66 66 TYR C C 101 170.503 170.503 173.403 -2.900 17579 370 1 . 1 1 66 66 TYR CA C 101 53.986 53.986 56.418 -2.433 17579 371 1 . 1 1 66 66 TYR CB C 101 41.998 41.998 40.796 1.202 17579 372 1 . 1 1 66 66 TYR H H 101 6.219 6.219 7.993 -1.774 17579 373 1 . 1 1 67 67 ILE N N 102 112.118 112.118 125.493 -13.375 17579 374 1 . 1 1 67 67 ILE HA H 102 4.488 4.488 4.093 0.395 17579 375 1 . 1 1 67 67 ILE C C 102 171.963 171.963 173.216 -1.253 17579 376 1 . 1 1 67 67 ILE CA C 102 55.343 55.343 58.670 -3.327 17579 377 1 . 1 1 67 67 ILE CB C 102 43.317 43.317 41.975 1.342 17579 378 1 . 1 1 67 67 ILE H H 102 7.954 7.954 8.646 -0.692 17579 379 1 . 1 1 68 68 PHE N N 103 122.272 122.272 124.003 -1.731 17579 380 1 . 1 1 68 68 PHE HA H 103 5.945 5.945 5.327 0.618 17579 381 1 . 1 1 68 68 PHE C C 103 176.374 176.374 174.145 2.229 17579 382 1 . 1 1 68 68 PHE CA C 103 56.520 56.520 55.088 1.432 17579 383 1 . 1 1 68 68 PHE CB C 103 40.518 40.518 41.583 -1.065 17579 384 1 . 1 1 68 68 PHE H H 103 8.087 8.087 7.895 0.192 17579 385 1 . 1 1 69 69 ILE N N 104 114.672 114.672 117.098 -2.426 17579 386 1 . 1 1 69 69 ILE HA H 104 2.991 2.991 4.623 -1.632 17579 387 1 . 1 1 69 69 ILE C C 104 175.387 175.387 173.896 1.491 17579 388 1 . 1 1 69 69 ILE CA C 104 57.903 57.903 58.051 -0.148 17579 389 1 . 1 1 69 69 ILE CB C 104 38.207 38.207 40.264 -2.057 17579 390 1 . 1 1 69 69 ILE H H 104 8.847 8.847 9.009 -0.162 17579 391 1 . 1 1 70 70 PRO HA H 105 3.918 3.918 4.640 -0.722 17579 392 1 . 1 1 70 70 PRO C C 105 177.442 177.442 175.996 1.446 17579 393 1 . 1 1 70 70 PRO CA C 105 64.823 64.823 63.127 1.696 17579 394 1 . 1 1 70 70 PRO CB C 105 35.906 35.906 30.317 5.589 17579 395 1 . 1 1 71 71 SER N N 106 113.113 113.113 117.910 -4.797 17579 396 1 . 1 1 71 71 SER HA H 106 4.261 4.261 4.668 -0.408 17579 397 1 . 1 1 71 71 SER C C 106 175.111 175.111 174.589 0.522 17579 398 1 . 1 1 71 71 SER CA C 106 60.111 60.111 57.914 2.197 17579 399 1 . 1 1 71 71 SER CB C 106 63.687 63.687 64.988 -1.301 17579 400 1 . 1 1 71 71 SER H H 106 7.904 7.904 8.166 -0.262 17579 401 1 . 1 1 72 72 LYS N N 107 119.830 119.830 126.815 -6.985 17579 402 1 . 1 1 72 72 LYS HA H 107 4.187 4.187 3.915 0.272 17579 403 1 . 1 1 72 72 LYS CA C 107 58.783 58.783 60.202 -1.419 17579 404 1 . 1 1 72 72 LYS CB C 107 30.951 30.951 32.367 -1.416 17579 405 1 . 1 1 72 72 LYS H H 107 8.314 8.314 8.730 -0.416 17579 406 1 . 1 1 73 73 GLN N N 108 123.860 123.860 118.396 5.464 17579 407 1 . 1 1 73 73 GLN HA H 108 4.001 4.001 4.064 -0.063 17579 408 1 . 1 1 73 73 GLN CA C 108 58.831 58.831 59.091 -0.260 17579 409 1 . 1 1 73 73 GLN CB C 108 28.451 28.451 27.933 0.518 17579 410 1 . 1 1 73 73 GLN H H 108 8.510 8.510 8.614 -0.104 17579 411 1 . 1 1 74 74 ASP N N 109 121.145 121.145 120.549 0.596 17579 412 1 . 1 1 74 74 ASP HA H 109 4.389 4.389 4.398 -0.009 17579 413 1 . 1 1 74 74 ASP C C 109 178.552 178.552 178.618 -0.066 17579 414 1 . 1 1 74 74 ASP H H 109 7.966 7.966 7.884 0.082 17579 415 1 . 1 1 75 75 LEU N N 110 121.098 121.098 120.769 0.329 17579 416 1 . 1 1 75 75 LEU HA H 110 3.955 3.955 4.009 -0.054 17579 417 1 . 1 1 75 75 LEU C C 110 178.953 178.953 179.158 -0.205 17579 418 1 . 1 1 75 75 LEU CA C 110 56.538 56.538 57.952 -1.414 17579 419 1 . 1 1 75 75 LEU CB C 110 40.845 40.845 41.585 -0.740 17579 420 1 . 1 1 75 75 LEU H H 110 7.932 7.932 8.271 -0.339 17579 421 1 . 1 1 76 76 GLY N N 111 105.659 105.659 106.107 -0.448 17579 422 1 . 1 1 76 76 GLY C C 111 175.510 175.510 175.625 -0.115 17579 423 1 . 1 1 76 76 GLY CA C 111 47.037 47.037 46.834 0.203 17579 424 1 . 1 1 76 76 GLY H H 111 8.006 8.006 8.441 -0.435 17579 425 1 . 1 1 77 77 ALA N N 112 122.987 122.987 124.223 -1.236 17579 426 1 . 1 1 77 77 ALA HA H 112 4.112 4.112 4.090 0.022 17579 427 1 . 1 1 77 77 ALA C C 112 179.350 179.350 179.027 0.323 17579 428 1 . 1 1 77 77 ALA CA C 112 53.930 53.930 54.604 -0.674 17579 429 1 . 1 1 77 77 ALA CB C 112 18.727 18.727 18.387 0.340 17579 430 1 . 1 1 77 77 ALA H H 112 7.824 7.824 7.930 -0.106 17579 431 1 . 1 1 78 78 ALA N N 113 121.466 121.466 120.112 1.354 17579 432 1 . 1 1 78 78 ALA HA H 113 4.189 4.189 4.133 0.056 17579 433 1 . 1 1 78 78 ALA C C 113 177.368 177.368 179.107 -1.739 17579 434 1 . 1 1 78 78 ALA CA C 113 53.750 53.750 54.197 -0.447 17579 435 1 . 1 1 78 78 ALA CB C 113 19.231 19.231 19.175 0.056 17579 436 1 . 1 1 78 78 ALA H H 113 7.785 7.785 7.896 -0.111 17579 437 1 . 1 1 79 79 GLY N N 114 104.016 104.016 105.907 -1.891 17579 438 1 . 1 1 79 79 GLY CA C 114 45.256 45.256 45.532 -0.276 17579 439 1 . 1 1 79 79 GLY H H 114 7.742 7.742 8.130 -0.388 17579 440 1 . 1 1 80 80 ALA HA H 115 4.100 4.100 4.525 -0.425 17579 441 1 . 1 1 80 80 ALA C C 115 176.526 176.526 176.535 -0.009 17579 442 1 . 1 1 80 80 ALA CA C 115 53.482 53.482 52.013 1.469 17579 443 1 . 1 1 80 80 ALA CB C 115 19.825 19.825 19.831 -0.006 17579 444 1 . 1 1 81 81 THR N N 116 116.236 116.236 116.458 -0.222 17579 445 1 . 1 1 81 81 THR HA H 116 4.718 4.718 4.012 0.706 17579 446 1 . 1 1 81 81 THR CA C 116 57.275 57.275 64.461 -7.186 17579 447 1 . 1 1 81 81 THR CB C 116 64.878 64.878 68.825 -3.947 17579 448 1 . 1 1 81 81 THR H H 116 8.068 8.068 8.527 -0.459 17579 449 1 . 1 1 84 84 PRO HA H 119 4.072 4.072 4.534 -0.462 17579 450 1 . 1 1 84 84 PRO CB C 119 32.154 32.154 32.243 -0.089 17579 451 1 . 1 1 85 85 THR N N 120 119.680 119.680 115.226 4.454 17579 452 1 . 1 1 85 85 THR C C 120 175.333 175.333 174.213 1.120 17579 453 1 . 1 1 85 85 THR CB C 120 71.769 71.769 71.270 0.499 17579 454 1 . 1 1 85 85 THR H H 120 8.002 8.002 8.077 -0.075 17579 455 1 . 1 1 86 86 SER N N 121 115.589 115.589 115.889 -0.300 17579 456 1 . 1 1 86 86 SER HA H 121 4.325 4.325 4.532 -0.207 17579 457 1 . 1 1 86 86 SER C C 121 172.929 172.929 173.648 -0.719 17579 458 1 . 1 1 86 86 SER CA C 121 59.722 59.722 59.110 0.612 17579 459 1 . 1 1 86 86 SER CB C 121 64.608 64.608 64.118 0.490 17579 460 1 . 1 1 86 86 SER H H 121 7.335 7.335 8.547 -1.212 17579 461 1 . 1 1 87 87 VAL N N 122 116.044 116.044 117.663 -1.619 17579 462 1 . 1 1 87 87 VAL HA H 122 5.200 5.200 4.706 0.494 17579 463 1 . 1 1 87 87 VAL C C 122 172.465 172.465 174.106 -1.641 17579 464 1 . 1 1 87 87 VAL CA C 122 59.819 59.819 60.835 -1.016 17579 465 1 . 1 1 87 87 VAL CB C 122 33.368 33.368 33.214 0.154 17579 466 1 . 1 1 87 87 VAL H H 122 7.152 7.152 7.469 -0.317 17579 467 1 . 1 1 88 88 VAL N N 123 119.350 119.350 124.646 -5.296 17579 468 1 . 1 1 88 88 VAL HA H 123 5.091 5.091 4.671 0.420 17579 469 1 . 1 1 88 88 VAL C C 123 173.214 173.214 173.882 -0.668 17579 470 1 . 1 1 88 88 VAL CA C 123 59.219 59.219 60.807 -1.588 17579 471 1 . 1 1 88 88 VAL CB C 123 36.362 36.362 36.255 0.107 17579 472 1 . 1 1 88 88 VAL H H 123 8.851 8.851 8.696 0.155 17579 473 1 . 1 1 89 89 PHE N N 124 122.568 122.568 125.730 -3.162 17579 474 1 . 1 1 89 89 PHE HA H 124 5.613 5.613 5.258 0.355 17579 475 1 . 1 1 89 89 PHE C C 124 174.887 174.887 175.061 -0.174 17579 476 1 . 1 1 89 89 PHE CA C 124 52.961 52.961 56.024 -3.063 17579 477 1 . 1 1 89 89 PHE CB C 124 42.788 42.788 42.222 0.566 17579 478 1 . 1 1 89 89 PHE H H 124 9.051 9.051 9.235 -0.184 17579 479 1 . 1 1 90 90 ILE N N 125 127.707 127.707 127.640 0.067 17579 480 1 . 1 1 90 90 ILE HA H 125 4.264 4.264 4.313 -0.049 17579 481 1 . 1 1 90 90 ILE C C 125 173.870 173.870 175.517 -1.647 17579 482 1 . 1 1 90 90 ILE CA C 125 61.789 61.789 60.038 1.751 17579 483 1 . 1 1 90 90 ILE CB C 125 39.785 39.785 37.788 1.997 17579 484 1 . 1 1 90 90 ILE H H 125 9.477 9.477 9.382 0.095 17579 485 1 . 1 1 91 91 VAL N N 126 126.579 126.579 120.466 6.113 17579 486 1 . 1 1 91 91 VAL HA H 126 4.566 4.566 4.858 -0.292 17579 487 1 . 1 1 91 91 VAL C C 126 173.829 173.829 173.674 0.155 17579 488 1 . 1 1 91 91 VAL CA C 126 58.701 58.701 58.442 0.259 17579 489 1 . 1 1 91 91 VAL CB C 126 32.989 32.989 34.068 -1.079 17579 490 1 . 1 1 91 91 VAL H H 126 8.149 8.149 8.845 -0.696 17579 491 1 . 1 1 92 92 PRO HA H 127 4.035 4.035 4.611 -0.576 17579 492 1 . 1 1 92 92 PRO C C 127 177.766 177.766 177.152 0.614 17579 493 1 . 1 1 92 92 PRO CA C 127 63.684 63.684 62.923 0.761 17579 494 1 . 1 1 92 92 PRO CB C 127 32.178 32.178 32.068 0.111 17579 495 1 . 1 1 93 93 GLY N N 128 108.618 108.618 110.262 -1.644 17579 496 1 . 1 1 93 93 GLY CA C 128 45.787 45.787 45.165 0.622 17579 497 1 . 1 1 93 93 GLY H H 128 7.970 7.970 8.430 -0.460 17579 498 1 . 1 1 94 94 SER N N 129 113.620 113.620 115.357 -1.737 17579 499 1 . 1 1 94 94 SER HA H 129 4.317 4.317 4.490 -0.173 17579 500 1 . 1 1 94 94 SER C C 129 180.379 180.379 174.620 5.759 17579 501 1 . 1 1 94 94 SER CA C 129 58.566 58.566 57.863 0.703 17579 502 1 . 1 1 94 94 SER H H 129 7.952 7.952 8.021 -0.069 17579 503 1 . 1 1 95 95 ASN N N 130 120.775 120.775 120.866 -0.091 17579 504 1 . 1 1 95 95 ASN HA H 130 3.964 3.964 4.546 -0.582 17579 505 1 . 1 1 95 95 ASN C C 130 178.664 178.664 176.864 1.800 17579 506 1 . 1 1 95 95 ASN CA C 130 57.689 57.689 55.687 2.002 17579 507 1 . 1 1 95 95 ASN CB C 130 42.288 42.288 38.314 3.974 17579 508 1 . 1 1 95 95 ASN H H 130 8.300 8.300 8.660 -0.360 17579 509 1 . 1 1 96 96 LYS N N 131 119.316 119.316 119.237 0.079 17579 510 1 . 1 1 96 96 LYS HA H 131 4.095 4.095 4.179 -0.084 17579 511 1 . 1 1 96 96 LYS C C 131 178.290 178.290 178.151 0.139 17579 512 1 . 1 1 96 96 LYS CA C 131 59.062 59.062 58.420 0.642 17579 513 1 . 1 1 96 96 LYS CB C 131 29.745 29.745 32.226 -2.481 17579 514 1 . 1 1 96 96 LYS H H 131 7.896 7.896 8.229 -0.334 17579 515 1 . 1 1 97 97 LYS N N 132 117.523 117.523 119.003 -1.480 17579 516 1 . 1 1 97 97 LYS C C 132 176.927 176.927 178.541 -1.614 17579 517 1 . 1 1 97 97 LYS CA C 132 58.555 58.555 58.344 0.211 17579 518 1 . 1 1 97 97 LYS CB C 132 30.578 30.578 32.051 -1.473 17579 519 1 . 1 1 97 97 LYS H H 132 7.791 7.791 8.013 -0.222 17579 520 1 . 1 1 98 98 LYS HA H 133 4.236 4.236 4.197 0.039 17579 521 1 . 1 1 98 98 LYS C C 133 176.606 176.606 177.292 -0.686 17579 522 1 . 1 1 98 98 LYS CA C 133 57.225 57.225 58.073 -0.848 17579 523 1 . 1 1 98 98 LYS CB C 133 33.151 33.151 32.344 0.807 17579 524 1 . 1 1 99 99 ASP N N 134 120.311 120.311 117.510 2.801 17579 525 1 . 1 1 99 99 ASP HA H 134 4.584 4.584 4.710 -0.126 17579 526 1 . 1 1 99 99 ASP C C 134 176.899 176.899 176.420 0.479 17579 527 1 . 1 1 99 99 ASP CA C 134 54.402 54.402 53.887 0.515 17579 528 1 . 1 1 99 99 ASP CB C 134 41.568 41.568 41.546 0.022 17579 529 1 . 1 1 99 99 ASP H H 134 8.267 8.267 7.738 0.529 17579 530 1 . 1 1 100 100 GLY N N 135 108.751 108.751 108.066 0.685 17579 531 1 . 1 1 100 100 GLY C C 135 174.683 174.683 174.120 0.563 17579 532 1 . 1 1 100 100 GLY CA C 135 45.985 45.985 45.091 0.894 17579 533 1 . 1 1 100 100 GLY H H 135 8.235 8.235 7.657 0.578 17579 534 1 . 1 1 101 101 LYS N N 136 120.306 120.306 120.923 -0.617 17579 535 1 . 1 1 101 101 LYS HA H 136 4.279 4.279 4.292 -0.013 17579 536 1 . 1 1 101 101 LYS C C 136 175.145 175.145 176.537 -1.392 17579 537 1 . 1 1 101 101 LYS CA C 136 56.875 56.875 56.522 0.354 17579 538 1 . 1 1 101 101 LYS CB C 136 32.987 32.987 32.638 0.349 17579 539 1 . 1 1 101 101 LYS H H 136 8.148 8.148 8.272 -0.124 17579 540 1 . 1 1 102 102 ASN N N 137 118.958 118.958 118.218 0.740 17579 541 1 . 1 1 102 102 ASN HA H 137 4.707 4.707 4.754 -0.047 17579 542 1 . 1 1 102 102 ASN C C 137 175.849 175.849 175.733 0.116 17579 543 1 . 1 1 102 102 ASN CA C 137 53.816 53.816 53.795 0.021 17579 544 1 . 1 1 102 102 ASN CB C 137 39.070 39.070 39.628 -0.557 17579 545 1 . 1 1 102 102 ASN H H 137 8.406 8.406 8.229 0.177 17579 546 1 . 1 1 103 103 LYS N N 138 121.782 121.782 120.340 1.442 17579 547 1 . 1 1 103 103 LYS HA H 138 4.255 4.255 4.120 0.135 17579 548 1 . 1 1 103 103 LYS CA C 138 56.641 56.641 58.528 -1.887 17579 549 1 . 1 1 103 103 LYS CB C 138 32.911 32.911 32.062 0.849 17579 550 1 . 1 1 103 103 LYS H H 138 8.316 8.316 8.364 -0.048 17579 551 1 . 1 1 104 104 GLU N N 139 121.053 121.053 119.295 1.758 17579 552 1 . 1 1 104 104 GLU CA C 139 57.449 57.449 59.612 -2.163 17579 553 1 . 1 1 104 104 GLU CB C 139 29.983 29.983 28.818 1.165 17579 554 1 . 1 1 104 104 GLU H H 139 8.459 8.459 8.645 -0.186 17579 555 1 . 1 1 106 106 GLU N N 141 122.191 122.191 119.741 2.450 17579 556 1 . 1 1 106 106 GLU HA H 141 4.268 4.268 4.069 0.199 17579 557 1 . 1 1 106 106 GLU CA C 141 64.025 64.025 59.217 4.808 17579 558 1 . 1 1 106 106 GLU CB C 141 32.117 32.117 29.397 2.720 17579 559 1 . 1 1 106 106 GLU H H 141 8.291 8.291 8.295 -0.004 17579 560 1 . 1 1 107 107 TYR N N 142 115.802 115.802 121.278 -5.476 17579 561 1 . 1 1 107 107 TYR HA H 142 4.996 4.996 4.049 0.948 17579 562 1 . 1 1 107 107 TYR C C 142 175.381 175.381 177.447 -2.066 17579 563 1 . 1 1 107 107 TYR CA C 142 57.581 57.581 61.215 -3.634 17579 564 1 . 1 1 107 107 TYR CB C 142 39.533 39.533 38.201 1.332 17579 565 1 . 1 1 107 107 TYR H H 142 7.344 7.344 8.823 -1.479 17579 566 1 . 1 1 108 108 LYS N N 143 123.473 123.473 119.044 4.429 17579 567 1 . 1 1 108 108 LYS HA H 143 3.628 3.628 3.471 0.157 17579 568 1 . 1 1 108 108 LYS C C 143 177.659 177.659 178.651 -0.992 17579 569 1 . 1 1 108 108 LYS CA C 143 59.988 59.988 59.450 0.538 17579 570 1 . 1 1 108 108 LYS CB C 143 32.294 32.294 32.006 0.288 17579 571 1 . 1 1 108 108 LYS H H 143 7.376 7.376 8.178 -0.802 17579 572 1 . 1 1 109 109 GLU N N 144 118.799 118.799 119.036 -0.237 17579 573 1 . 1 1 109 109 GLU HA H 144 4.048 4.048 3.980 0.068 17579 574 1 . 1 1 109 109 GLU C C 144 179.583 179.583 178.961 0.622 17579 575 1 . 1 1 109 109 GLU CA C 144 60.200 60.200 59.574 0.626 17579 576 1 . 1 1 109 109 GLU CB C 144 29.237 29.237 29.396 -0.159 17579 577 1 . 1 1 109 109 GLU H H 144 8.558 8.558 8.124 0.434 17579 578 1 . 1 1 110 110 SER N N 145 116.121 116.121 115.578 0.543 17579 579 1 . 1 1 110 110 SER HA H 145 4.319 4.319 4.176 0.143 17579 580 1 . 1 1 110 110 SER C C 145 176.522 176.522 176.756 -0.234 17579 581 1 . 1 1 110 110 SER CA C 145 61.990 61.990 61.701 0.289 17579 582 1 . 1 1 110 110 SER CB C 145 63.293 63.293 63.109 0.184 17579 583 1 . 1 1 110 110 SER H H 145 8.094 8.094 8.071 0.023 17579 584 1 . 1 1 111 111 PHE N N 146 122.311 122.311 122.757 -0.446 17579 585 1 . 1 1 111 111 PHE HA H 146 4.021 4.021 4.115 -0.094 17579 586 1 . 1 1 111 111 PHE C C 146 176.001 176.001 176.756 -0.755 17579 587 1 . 1 1 111 111 PHE CA C 146 62.504 62.504 60.576 1.928 17579 588 1 . 1 1 111 111 PHE CB C 146 39.861 39.861 38.697 1.164 17579 589 1 . 1 1 111 111 PHE H H 146 8.536 8.536 8.472 0.064 17579 590 1 . 1 1 112 112 ASN N N 147 117.908 117.908 117.177 0.731 17579 591 1 . 1 1 112 112 ASN HA H 147 4.252 4.252 4.169 0.083 17579 592 1 . 1 1 112 112 ASN C C 147 178.315 178.315 177.458 0.857 17579 593 1 . 1 1 112 112 ASN CA C 147 56.226 56.226 56.613 -0.386 17579 594 1 . 1 1 112 112 ASN CB C 147 37.990 37.990 38.321 -0.331 17579 595 1 . 1 1 112 112 ASN H H 147 8.795 8.795 8.703 0.092 17579 596 1 . 1 1 113 113 GLU N N 148 119.868 119.868 120.301 -0.433 17579 597 1 . 1 1 113 113 GLU HA H 148 4.024 4.024 4.020 0.004 17579 598 1 . 1 1 113 113 GLU C C 148 179.410 179.410 178.766 0.644 17579 599 1 . 1 1 113 113 GLU CA C 148 59.710 59.710 59.409 0.301 17579 600 1 . 1 1 113 113 GLU CB C 148 30.063 30.063 29.618 0.445 17579 601 1 . 1 1 113 113 GLU H H 148 7.764 7.764 7.864 -0.100 17579 602 1 . 1 1 114 114 VAL N N 149 119.684 119.684 117.553 2.131 17579 603 1 . 1 1 114 114 VAL HA H 149 3.544 3.544 3.725 -0.181 17579 604 1 . 1 1 114 114 VAL C C 149 177.613 177.613 178.103 -0.490 17579 605 1 . 1 1 114 114 VAL CA C 149 66.977 66.977 65.864 1.113 17579 606 1 . 1 1 114 114 VAL CB C 149 30.605 30.605 31.096 -0.491 17579 607 1 . 1 1 114 114 VAL H H 149 7.973 7.973 7.948 0.025 17579 608 1 . 1 1 115 115 VAL N N 150 119.782 119.782 121.121 -1.339 17579 609 1 . 1 1 115 115 VAL HA H 150 3.164 3.164 3.430 -0.266 17579 610 1 . 1 1 115 115 VAL C C 150 177.499 177.499 178.060 -0.561 17579 611 1 . 1 1 115 115 VAL CA C 150 68.301 68.301 66.528 1.773 17579 612 1 . 1 1 115 115 VAL CB C 150 31.483 31.483 30.562 0.921 17579 613 1 . 1 1 115 115 VAL H H 150 8.452 8.452 8.401 0.051 17579 614 1 . 1 1 116 116 LYS N N 151 118.842 118.842 119.333 -0.491 17579 615 1 . 1 1 116 116 LYS HA H 151 4.024 4.024 3.939 0.085 17579 616 1 . 1 1 116 116 LYS C C 151 179.862 179.862 179.068 0.794 17579 617 1 . 1 1 116 116 LYS CA C 151 59.947 59.947 59.519 0.428 17579 618 1 . 1 1 116 116 LYS CB C 151 32.481 32.481 31.987 0.494 17579 619 1 . 1 1 116 116 LYS H H 151 7.595 7.595 7.852 -0.257 17579 620 1 . 1 1 117 117 GLU N N 152 120.243 120.243 119.769 0.474 17579 621 1 . 1 1 117 117 GLU HA H 152 4.052 4.052 4.081 -0.029 17579 622 1 . 1 1 117 117 GLU C C 152 179.528 179.528 178.862 0.666 17579 623 1 . 1 1 117 117 GLU CA C 152 60.178 60.178 59.264 0.914 17579 624 1 . 1 1 117 117 GLU CB C 152 29.949 29.949 29.483 0.466 17579 625 1 . 1 1 117 117 GLU H H 152 7.513 7.513 7.977 -0.465 17579 626 1 . 1 1 118 118 VAL N N 153 120.596 120.596 119.507 1.089 17579 627 1 . 1 1 118 118 VAL HA H 153 3.464 3.464 3.728 -0.264 17579 628 1 . 1 1 118 118 VAL C C 153 177.984 177.984 177.600 0.384 17579 629 1 . 1 1 118 118 VAL CA C 153 68.047 68.047 65.376 2.671 17579 630 1 . 1 1 118 118 VAL CB C 153 32.056 32.056 31.483 0.573 17579 631 1 . 1 1 118 118 VAL H H 153 8.649 8.649 7.835 0.814 17579 632 1 . 1 1 119 119 GLN N N 154 118.317 118.317 118.506 -0.189 17579 633 1 . 1 1 119 119 GLN HA H 154 3.986 3.986 4.123 -0.137 17579 634 1 . 1 1 119 119 GLN C C 154 178.984 178.984 177.365 1.619 17579 635 1 . 1 1 119 119 GLN CA C 154 59.716 59.716 58.028 1.688 17579 636 1 . 1 1 119 119 GLN CB C 154 28.261 28.261 29.129 -0.868 17579 637 1 . 1 1 119 119 GLN H H 154 8.947 8.947 7.880 1.067 17579 638 1 . 1 1 120 120 ALA N N 155 120.688 120.688 121.897 -1.209 17579 639 1 . 1 1 120 120 ALA HA H 155 3.484 3.484 4.180 -0.696 17579 640 1 . 1 1 120 120 ALA C C 155 180.759 180.759 177.863 2.896 17579 641 1 . 1 1 120 120 ALA CA C 155 55.257 55.257 53.488 1.769 17579 642 1 . 1 1 120 120 ALA CB C 155 18.446 18.446 19.460 -1.014 17579 643 1 . 1 1 120 120 ALA H H 155 7.494 7.494 7.814 -0.320 17579 stop_ save_