data_25944 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25944 _Entry.PDB_ID 2NAR 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 25944 _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 ASN N N 2 118.138 118.138 117.173 0.965 25944 2 1 1 . 1 1 2 2 ASN HA H 2 4.638 4.638 4.652 -0.014 25944 3 1 1 . 1 1 2 2 ASN C C 2 174.541 174.541 175.668 -1.127 25944 4 1 1 . 1 1 2 2 ASN CA C 2 53.194 53.194 53.213 -0.019 25944 5 1 1 . 1 1 2 2 ASN CB C 2 39.191 39.191 38.758 0.433 25944 6 1 1 . 1 1 2 2 ASN H H 2 8.331 8.331 8.277 0.054 25944 7 1 1 . 1 1 3 3 PHE N N 3 121.233 121.233 120.291 0.942 25944 8 1 1 . 1 1 3 3 PHE HA H 3 4.418 4.418 4.407 0.011 25944 9 1 1 . 1 1 3 3 PHE C C 3 174.939 174.939 175.721 -0.782 25944 10 1 1 . 1 1 3 3 PHE CA C 3 57.817 57.817 58.543 -0.726 25944 11 1 1 . 1 1 3 3 PHE CB C 3 39.377 39.377 39.547 -0.170 25944 12 1 1 . 1 1 3 3 PHE H H 3 8.358 8.358 7.818 0.540 25944 13 1 1 . 1 1 4 4 ASN N N 4 121.091 121.091 121.956 -0.865 25944 14 1 1 . 1 1 4 4 ASN HA H 4 4.614 4.614 4.999 -0.385 25944 15 1 1 . 1 1 4 4 ASN C C 4 175.107 175.107 174.412 0.695 25944 16 1 1 . 1 1 4 4 ASN CA C 4 52.869 52.869 52.660 0.209 25944 17 1 1 . 1 1 4 4 ASN CB C 4 38.853 38.853 38.662 0.191 25944 18 1 1 . 1 1 4 4 ASN H H 4 8.333 8.333 8.645 -0.312 25944 19 1 1 . 1 1 5 5 LEU N N 5 123.882 123.882 123.662 0.220 25944 20 1 1 . 1 1 5 5 LEU HA H 5 4.597 4.597 4.383 0.214 25944 21 1 1 . 1 1 5 5 LEU C C 5 177.372 177.372 177.022 0.350 25944 22 1 1 . 1 1 5 5 LEU CA C 5 56.030 56.030 55.012 1.018 25944 23 1 1 . 1 1 5 5 LEU CB C 5 41.775 41.775 42.112 -0.337 25944 24 1 1 . 1 1 5 5 LEU H H 5 8.259 8.259 8.477 -0.218 25944 25 1 1 . 1 1 6 6 ALA N N 6 122.630 122.630 127.002 -4.372 25944 26 1 1 . 1 1 6 6 ALA HA H 6 4.213 4.213 4.723 -0.510 25944 27 1 1 . 1 1 6 6 ALA C C 6 178.088 178.088 176.520 1.568 25944 28 1 1 . 1 1 6 6 ALA CA C 6 53.201 53.201 51.518 1.683 25944 29 1 1 . 1 1 6 6 ALA CB C 6 18.533 18.533 19.929 -1.396 25944 30 1 1 . 1 1 6 6 ALA H H 6 8.132 8.132 8.388 -0.256 25944 31 1 1 . 1 1 7 7 SER N N 7 113.309 113.309 117.426 -4.117 25944 32 1 1 . 1 1 7 7 SER HA H 7 4.333 4.333 4.675 -0.342 25944 33 1 1 . 1 1 7 7 SER C C 7 174.347 174.347 173.102 1.245 25944 34 1 1 . 1 1 7 7 SER CA C 7 58.244 58.244 57.963 0.281 25944 35 1 1 . 1 1 7 7 SER CB C 7 63.655 63.655 64.490 -0.836 25944 36 1 1 . 1 1 7 7 SER H H 7 7.866 7.866 8.501 -0.635 25944 37 1 1 . 1 1 8 8 LEU N N 8 123.236 123.236 122.530 0.706 25944 38 1 1 . 1 1 8 8 LEU HA H 8 4.156 4.156 4.611 -0.455 25944 39 1 1 . 1 1 8 8 LEU C C 8 176.617 176.617 175.612 1.005 25944 40 1 1 . 1 1 8 8 LEU CA C 8 55.368 55.368 55.246 0.122 25944 41 1 1 . 1 1 8 8 LEU CB C 8 42.800 42.800 42.574 0.226 25944 42 1 1 . 1 1 8 8 LEU H H 8 7.786 7.786 8.360 -0.574 25944 43 1 1 . 1 1 9 9 ASN N N 9 120.087 120.087 125.424 -5.337 25944 44 1 1 . 1 1 9 9 ASN HA H 9 4.502 4.502 4.921 -0.419 25944 45 1 1 . 1 1 9 9 ASN C C 9 175.557 175.557 174.641 0.916 25944 46 1 1 . 1 1 9 9 ASN CA C 9 52.922 52.922 53.360 -0.438 25944 47 1 1 . 1 1 9 9 ASN CB C 9 38.529 38.529 39.228 -0.699 25944 48 1 1 . 1 1 9 9 ASN H H 9 8.127 8.127 8.933 -0.806 25944 49 1 1 . 1 1 10 10 GLU N N 10 121.943 121.943 119.818 2.125 25944 50 1 1 . 1 1 10 10 GLU HA H 10 3.419 3.419 4.689 -1.270 25944 51 1 1 . 1 1 10 10 GLU C C 10 176.176 176.176 175.797 0.379 25944 52 1 1 . 1 1 10 10 GLU CA C 10 58.261 58.261 57.089 1.173 25944 53 1 1 . 1 1 10 10 GLU CB C 10 29.371 29.371 29.875 -0.504 25944 54 1 1 . 1 1 10 10 GLU H H 10 8.479 8.479 8.835 -0.356 25944 55 1 1 . 1 1 11 11 GLU N N 11 117.932 117.932 117.860 0.072 25944 56 1 1 . 1 1 11 11 GLU HA H 11 3.893 3.893 4.364 -0.471 25944 57 1 1 . 1 1 11 11 GLU C C 11 178.292 178.292 175.938 2.354 25944 58 1 1 . 1 1 11 11 GLU CA C 11 57.418 57.418 55.891 1.527 25944 59 1 1 . 1 1 11 11 GLU CB C 11 28.967 28.967 29.131 -0.164 25944 60 1 1 . 1 1 11 11 GLU H H 11 7.876 7.876 8.319 -0.443 25944 61 1 1 . 1 1 12 12 MET N N 12 118.969 118.969 117.229 1.740 25944 62 1 1 . 1 1 12 12 MET HA H 12 3.810 3.810 3.923 -0.113 25944 63 1 1 . 1 1 12 12 MET C C 12 175.419 175.419 175.400 0.019 25944 64 1 1 . 1 1 12 12 MET CA C 12 57.481 57.481 56.933 0.548 25944 65 1 1 . 1 1 12 12 MET CB C 12 32.160 32.160 32.842 -0.682 25944 66 1 1 . 1 1 12 12 MET H H 12 7.524 7.524 7.468 0.056 25944 67 1 1 . 1 1 13 13 PHE N N 13 113.294 113.294 114.087 -0.793 25944 68 1 1 . 1 1 13 13 PHE HA H 13 4.463 4.463 4.504 -0.041 25944 69 1 1 . 1 1 13 13 PHE C C 13 176.009 176.009 174.772 1.237 25944 70 1 1 . 1 1 13 13 PHE CA C 13 54.932 54.932 57.190 -2.257 25944 71 1 1 . 1 1 13 13 PHE CB C 13 37.856 37.856 39.646 -1.790 25944 72 1 1 . 1 1 13 13 PHE H H 13 6.975 6.975 6.843 0.132 25944 73 1 1 . 1 1 14 14 ASN N N 14 116.706 116.706 118.866 -2.160 25944 74 1 1 . 1 1 14 14 ASN HA H 14 4.778 4.778 4.975 -0.197 25944 75 1 1 . 1 1 14 14 ASN C C 14 176.202 176.202 176.055 0.147 25944 76 1 1 . 1 1 14 14 ASN CA C 14 52.333 52.333 53.156 -0.823 25944 77 1 1 . 1 1 14 14 ASN CB C 14 36.421 36.421 38.906 -2.485 25944 78 1 1 . 1 1 14 14 ASN H H 14 7.211 7.211 7.986 -0.775 25944 79 1 1 . 1 1 15 15 VAL N N 15 121.352 121.352 119.109 2.243 25944 80 1 1 . 1 1 15 15 VAL HA H 15 3.642 3.642 3.596 0.046 25944 81 1 1 . 1 1 15 15 VAL C C 15 177.523 177.523 176.128 1.395 25944 82 1 1 . 1 1 15 15 VAL CA C 15 63.407 63.407 64.771 -1.364 25944 83 1 1 . 1 1 15 15 VAL CB C 15 31.120 31.120 31.490 -0.370 25944 84 1 1 . 1 1 15 15 VAL H H 15 7.971 7.971 8.524 -0.553 25944 85 1 1 . 1 1 16 16 ALA N N 16 124.345 124.345 119.153 5.192 25944 86 1 1 . 1 1 16 16 ALA HA H 16 4.170 4.170 4.200 -0.030 25944 87 1 1 . 1 1 16 16 ALA C C 16 178.288 178.288 177.413 0.875 25944 88 1 1 . 1 1 16 16 ALA CA C 16 54.170 54.170 53.553 0.617 25944 89 1 1 . 1 1 16 16 ALA CB C 16 17.945 17.945 18.754 -0.809 25944 90 1 1 . 1 1 16 16 ALA H H 16 8.414 8.414 8.047 0.367 25944 91 1 1 . 1 1 17 17 ALA N N 17 116.960 116.960 120.301 -3.341 25944 92 1 1 . 1 1 17 17 ALA HA H 17 4.309 4.309 4.658 -0.349 25944 93 1 1 . 1 1 17 17 ALA C C 17 177.660 177.660 177.014 0.646 25944 94 1 1 . 1 1 17 17 ALA CA C 17 51.666 51.666 51.923 -0.257 25944 95 1 1 . 1 1 17 17 ALA CB C 17 19.331 19.331 20.655 -1.324 25944 96 1 1 . 1 1 17 17 ALA H H 17 7.099 7.099 8.009 -0.910 25944 97 1 1 . 1 1 18 18 LEU N N 18 119.640 119.640 118.612 1.028 25944 98 1 1 . 1 1 18 18 LEU HA H 18 4.479 4.479 4.774 -0.295 25944 99 1 1 . 1 1 18 18 LEU C C 18 176.424 176.424 175.522 0.902 25944 100 1 1 . 1 1 18 18 LEU CA C 18 54.960 54.960 55.091 -0.131 25944 101 1 1 . 1 1 18 18 LEU CB C 18 42.000 42.000 42.697 -0.697 25944 102 1 1 . 1 1 18 18 LEU H H 18 7.256 7.256 7.897 -0.641 25944 103 1 1 . 1 1 19 19 THR N N 19 110.240 110.240 116.087 -5.847 25944 104 1 1 . 1 1 19 19 THR HA H 19 4.389 4.389 4.562 -0.173 25944 105 1 1 . 1 1 19 19 THR C C 19 174.905 174.905 173.922 0.983 25944 106 1 1 . 1 1 19 19 THR CA C 19 61.970 61.970 61.686 0.284 25944 107 1 1 . 1 1 19 19 THR CB C 19 70.500 70.500 70.300 0.200 25944 108 1 1 . 1 1 19 19 THR H H 19 8.319 8.319 8.351 -0.032 25944 109 1 1 . 1 1 20 20 LYS N N 20 121.645 121.645 123.957 -2.312 25944 110 1 1 . 1 1 20 20 LYS HA H 20 4.724 4.724 4.402 0.322 25944 111 1 1 . 1 1 20 20 LYS C C 20 177.100 177.100 175.679 1.421 25944 112 1 1 . 1 1 20 20 LYS CA C 20 54.890 54.890 55.586 -0.696 25944 113 1 1 . 1 1 20 20 LYS CB C 20 33.700 33.700 34.036 -0.336 25944 114 1 1 . 1 1 20 20 LYS H H 20 7.854 7.854 8.216 -0.362 25944 115 1 1 . 1 1 21 21 ARG N N 21 126.200 126.200 120.539 5.661 25944 116 1 1 . 1 1 21 21 ARG HA H 21 3.831 3.831 4.193 -0.362 25944 117 1 1 . 1 1 21 21 ARG C C 21 178.431 178.431 178.275 0.156 25944 118 1 1 . 1 1 21 21 ARG CA C 21 60.280 60.280 58.465 1.815 25944 119 1 1 . 1 1 21 21 ARG CB C 21 30.600 30.600 30.388 0.212 25944 120 1 1 . 1 1 21 21 ARG H H 21 9.171 9.171 8.533 0.638 25944 121 1 1 . 1 1 22 22 ALA N N 22 118.555 118.555 122.552 -3.997 25944 122 1 1 . 1 1 22 22 ALA HA H 22 4.053 4.053 4.150 -0.097 25944 123 1 1 . 1 1 22 22 ALA C C 22 180.573 180.573 178.837 1.736 25944 124 1 1 . 1 1 22 22 ALA CA C 22 55.480 55.480 55.012 0.468 25944 125 1 1 . 1 1 22 22 ALA CB C 22 18.700 18.700 18.119 0.581 25944 126 1 1 . 1 1 22 22 ALA H H 22 8.982 8.982 8.414 0.568 25944 127 1 1 . 1 1 23 23 ASP N N 23 116.363 116.363 119.492 -3.129 25944 128 1 1 . 1 1 23 23 ASP HA H 23 4.455 4.455 4.437 0.018 25944 129 1 1 . 1 1 23 23 ASP C C 23 178.418 178.418 178.388 0.030 25944 130 1 1 . 1 1 23 23 ASP CA C 23 56.697 56.697 57.166 -0.469 25944 131 1 1 . 1 1 23 23 ASP CB C 23 41.260 41.260 40.708 0.552 25944 132 1 1 . 1 1 23 23 ASP H H 23 6.880 6.880 8.800 -1.920 25944 133 1 1 . 1 1 24 24 ALA N N 24 124.072 124.072 121.892 2.180 25944 134 1 1 . 1 1 24 24 ALA HA H 24 4.307 4.307 4.451 -0.144 25944 135 1 1 . 1 1 24 24 ALA C C 24 178.301 178.301 179.056 -0.755 25944 136 1 1 . 1 1 24 24 ALA CA C 24 55.376 55.376 54.841 0.535 25944 137 1 1 . 1 1 24 24 ALA CB C 24 17.900 17.900 18.536 -0.636 25944 138 1 1 . 1 1 24 24 ALA H H 24 7.882 7.882 8.068 -0.186 25944 139 1 1 . 1 1 25 25 LYS N N 25 118.064 118.064 119.648 -1.584 25944 140 1 1 . 1 1 25 25 LYS HA H 25 3.748 3.748 3.826 -0.078 25944 141 1 1 . 1 1 25 25 LYS C C 25 177.149 177.149 178.617 -1.468 25944 142 1 1 . 1 1 25 25 LYS CA C 25 60.613 60.613 59.304 1.309 25944 143 1 1 . 1 1 25 25 LYS CB C 25 32.433 32.433 32.261 0.172 25944 144 1 1 . 1 1 25 25 LYS H H 25 8.799 8.799 7.551 1.248 25944 145 1 1 . 1 1 26 26 LYS N N 26 116.995 116.995 119.467 -2.472 25944 146 1 1 . 1 1 26 26 LYS HA H 26 3.919 3.919 4.110 -0.191 25944 147 1 1 . 1 1 26 26 LYS C C 26 179.262 179.262 178.837 0.425 25944 148 1 1 . 1 1 26 26 LYS CA C 26 59.980 59.980 58.692 1.288 25944 149 1 1 . 1 1 26 26 LYS CB C 26 32.370 32.370 31.956 0.414 25944 150 1 1 . 1 1 26 26 LYS H H 26 7.507 7.507 8.087 -0.580 25944 151 1 1 . 1 1 27 27 LEU N N 27 118.319 118.319 119.401 -1.082 25944 152 1 1 . 1 1 27 27 LEU HA H 27 4.387 4.387 4.085 0.302 25944 153 1 1 . 1 1 27 27 LEU C C 27 178.187 178.187 179.419 -1.232 25944 154 1 1 . 1 1 27 27 LEU CA C 27 57.928 57.928 58.078 -0.150 25944 155 1 1 . 1 1 27 27 LEU CB C 27 40.941 40.941 42.095 -1.154 25944 156 1 1 . 1 1 27 27 LEU H H 27 7.359 7.359 7.494 -0.135 25944 157 1 1 . 1 1 28 28 ALA N N 28 121.257 121.257 120.611 0.646 25944 158 1 1 . 1 1 28 28 ALA HA H 28 3.677 3.677 4.277 -0.600 25944 159 1 1 . 1 1 28 28 ALA C C 28 179.000 179.000 178.932 0.068 25944 160 1 1 . 1 1 28 28 ALA CA C 28 56.364 56.364 54.904 1.460 25944 161 1 1 . 1 1 28 28 ALA CB C 28 16.138 16.138 17.864 -1.726 25944 162 1 1 . 1 1 28 28 ALA H H 28 8.571 8.571 8.378 0.193 25944 163 1 1 . 1 1 29 29 LYS N N 29 114.495 114.495 119.764 -5.269 25944 164 1 1 . 1 1 29 29 LYS HA H 29 3.834 3.834 3.922 -0.088 25944 165 1 1 . 1 1 29 29 LYS C C 29 180.597 180.597 178.674 1.923 25944 166 1 1 . 1 1 29 29 LYS CA C 29 60.073 60.073 59.458 0.615 25944 167 1 1 . 1 1 29 29 LYS CB C 29 32.334 32.334 32.188 0.146 25944 168 1 1 . 1 1 29 29 LYS H H 29 8.312 8.312 8.006 0.306 25944 169 1 1 . 1 1 30 30 GLN N N 30 119.983 119.983 116.732 3.251 25944 170 1 1 . 1 1 30 30 GLN HA H 30 4.120 4.120 4.191 -0.071 25944 171 1 1 . 1 1 30 30 GLN C C 30 179.114 179.114 178.792 0.322 25944 172 1 1 . 1 1 30 30 GLN CA C 30 59.063 59.063 58.482 0.581 25944 173 1 1 . 1 1 30 30 GLN CB C 30 29.010 29.010 28.030 0.980 25944 174 1 1 . 1 1 30 30 GLN H H 30 7.793 7.793 7.789 0.004 25944 175 1 1 . 1 1 31 31 LEU N N 31 117.633 117.633 118.100 -0.467 25944 176 1 1 . 1 1 31 31 LEU HA H 31 3.927 3.927 4.453 -0.526 25944 177 1 1 . 1 1 31 31 LEU C C 31 178.747 178.747 177.425 1.322 25944 178 1 1 . 1 1 31 31 LEU CA C 31 57.608 57.608 55.755 1.853 25944 179 1 1 . 1 1 31 31 LEU CB C 31 41.099 41.099 42.487 -1.388 25944 180 1 1 . 1 1 31 31 LEU H H 31 8.348 8.348 7.350 0.998 25944 181 1 1 . 1 1 32 32 MET N N 32 115.087 115.087 115.716 -0.629 25944 182 1 1 . 1 1 32 32 MET HA H 32 4.291 4.291 4.602 -0.311 25944 183 1 1 . 1 1 32 32 MET C C 32 178.337 178.337 177.224 1.113 25944 184 1 1 . 1 1 32 32 MET CA C 32 56.190 56.190 56.883 -0.693 25944 185 1 1 . 1 1 32 32 MET CB C 32 33.237 33.237 34.566 -1.329 25944 186 1 1 . 1 1 32 32 MET H H 32 8.083 8.083 8.031 0.052 25944 187 1 1 . 1 1 33 33 GLY N N 33 102.979 102.979 107.287 -4.308 25944 188 1 1 . 1 1 33 33 GLY C C 33 173.716 173.716 174.308 -0.592 25944 189 1 1 . 1 1 33 33 GLY CA C 33 45.341 45.341 44.933 0.408 25944 190 1 1 . 1 1 33 33 GLY H H 33 7.514 7.514 8.093 -0.579 25944 191 1 1 . 1 1 34 34 ASN N N 34 117.931 117.931 122.136 -4.205 25944 192 1 1 . 1 1 34 34 ASN HA H 34 4.911 4.911 4.684 0.227 25944 193 1 1 . 1 1 34 34 ASN C C 34 173.721 173.721 175.596 -1.875 25944 194 1 1 . 1 1 34 34 ASN CA C 34 52.465 52.465 53.927 -1.462 25944 195 1 1 . 1 1 34 34 ASN CB C 34 39.303 39.303 38.625 0.678 25944 196 1 1 . 1 1 34 34 ASN H H 34 7.176 7.176 7.816 -0.640 25944 197 1 1 . 1 1 35 35 ASP N N 35 125.367 125.367 126.774 -1.407 25944 198 1 1 . 1 1 35 35 ASP HA H 35 4.396 4.396 4.357 0.039 25944 199 1 1 . 1 1 35 35 ASP C C 35 177.810 177.810 177.600 0.210 25944 200 1 1 . 1 1 35 35 ASP CA C 35 57.193 57.193 57.616 -0.423 25944 201 1 1 . 1 1 35 35 ASP CB C 35 40.007 40.007 40.602 -0.595 25944 202 1 1 . 1 1 35 35 ASP H H 35 8.857 8.857 8.643 0.214 25944 203 1 1 . 1 1 36 36 LYS N N 36 119.269 119.269 120.201 -0.932 25944 204 1 1 . 1 1 36 36 LYS HA H 36 4.146 4.146 4.099 0.047 25944 205 1 1 . 1 1 36 36 LYS C C 36 179.704 179.704 178.041 1.663 25944 206 1 1 . 1 1 36 36 LYS CA C 36 58.391 58.391 58.622 -0.231 25944 207 1 1 . 1 1 36 36 LYS CB C 36 31.904 31.904 30.853 1.051 25944 208 1 1 . 1 1 36 36 LYS H H 36 7.972 7.972 8.499 -0.527 25944 209 1 1 . 1 1 37 37 LEU N N 37 122.961 122.961 120.481 2.480 25944 210 1 1 . 1 1 37 37 LEU HA H 37 3.938 3.938 4.282 -0.344 25944 211 1 1 . 1 1 37 37 LEU C C 37 177.699 177.699 178.319 -0.620 25944 212 1 1 . 1 1 37 37 LEU CA C 37 56.863 56.863 56.653 0.210 25944 213 1 1 . 1 1 37 37 LEU CB C 37 42.072 42.072 41.710 0.362 25944 214 1 1 . 1 1 37 37 LEU H H 37 7.370 7.370 7.580 -0.210 25944 215 1 1 . 1 1 38 38 ALA N N 38 120.603 120.603 122.068 -1.465 25944 216 1 1 . 1 1 38 38 ALA HA H 38 3.270 3.270 3.899 -0.629 25944 217 1 1 . 1 1 38 38 ALA C C 38 176.450 176.450 179.380 -2.930 25944 218 1 1 . 1 1 38 38 ALA CA C 38 55.268 55.268 55.192 0.076 25944 219 1 1 . 1 1 38 38 ALA CB C 38 16.619 16.619 17.860 -1.241 25944 220 1 1 . 1 1 38 38 ALA H H 38 7.918 7.918 8.338 -0.420 25944 221 1 1 . 1 1 39 39 ASP N N 39 113.981 113.981 119.208 -5.227 25944 222 1 1 . 1 1 39 39 ASP HA H 39 4.082 4.082 4.569 -0.487 25944 223 1 1 . 1 1 39 39 ASP C C 39 178.258 178.258 177.939 0.319 25944 224 1 1 . 1 1 39 39 ASP CA C 39 57.308 57.308 57.811 -0.503 25944 225 1 1 . 1 1 39 39 ASP CB C 39 40.859 40.859 40.832 0.027 25944 226 1 1 . 1 1 39 39 ASP H H 39 7.594 7.594 8.392 -0.798 25944 227 1 1 . 1 1 40 40 ALA N N 40 119.475 119.475 120.827 -1.352 25944 228 1 1 . 1 1 40 40 ALA HA H 40 3.831 3.831 4.242 -0.411 25944 229 1 1 . 1 1 40 40 ALA C C 40 179.459 179.459 178.808 0.651 25944 230 1 1 . 1 1 40 40 ALA CA C 40 54.590 54.590 53.795 0.795 25944 231 1 1 . 1 1 40 40 ALA CB C 40 17.241 17.241 18.719 -1.478 25944 232 1 1 . 1 1 40 40 ALA H H 40 6.934 6.934 7.703 -0.769 25944 233 1 1 . 1 1 41 41 ALA N N 41 124.918 124.918 123.431 1.487 25944 234 1 1 . 1 1 41 41 ALA HA H 41 1.920 1.920 2.828 -0.908 25944 235 1 1 . 1 1 41 41 ALA C C 41 177.309 177.309 177.900 -0.591 25944 236 1 1 . 1 1 41 41 ALA CA C 41 54.473 54.473 54.034 0.439 25944 237 1 1 . 1 1 41 41 ALA CB C 41 16.412 16.412 18.205 -1.793 25944 238 1 1 . 1 1 41 41 ALA H H 41 7.384 7.384 7.415 -0.031 25944 239 1 1 . 1 1 42 42 TYR N N 42 115.340 115.340 117.201 -1.861 25944 240 1 1 . 1 1 42 42 TYR HA H 42 4.164 4.164 4.460 -0.296 25944 241 1 1 . 1 1 42 42 TYR C C 42 179.228 179.228 177.560 1.668 25944 242 1 1 . 1 1 42 42 TYR CA C 42 58.300 58.300 60.767 -2.467 25944 243 1 1 . 1 1 42 42 TYR CB C 42 35.365 35.365 38.005 -2.640 25944 244 1 1 . 1 1 42 42 TYR H H 42 7.639 7.639 8.438 -0.799 25944 245 1 1 . 1 1 43 43 ILE N N 43 117.754 117.754 118.107 -0.353 25944 246 1 1 . 1 1 43 43 ILE HA H 43 3.839 3.839 3.553 0.286 25944 247 1 1 . 1 1 43 43 ILE C C 43 178.090 178.090 177.226 0.864 25944 248 1 1 . 1 1 43 43 ILE CA C 43 64.721 64.721 61.060 3.661 25944 249 1 1 . 1 1 43 43 ILE CB C 43 39.511 39.511 36.953 2.558 25944 250 1 1 . 1 1 43 43 ILE H H 43 7.321 7.321 7.019 0.302 25944 251 1 1 . 1 1 44 44 TRP N N 44 124.439 124.439 123.474 0.965 25944 252 1 1 . 1 1 44 44 TRP HA H 44 4.049 4.049 4.152 -0.103 25944 253 1 1 . 1 1 44 44 TRP C C 44 181.073 181.073 177.936 3.137 25944 254 1 1 . 1 1 44 44 TRP CA C 44 63.008 63.008 61.596 1.412 25944 255 1 1 . 1 1 44 44 TRP CB C 44 30.286 30.286 29.128 1.158 25944 256 1 1 . 1 1 44 44 TRP H H 44 8.016 8.016 7.175 0.841 25944 257 1 1 . 1 1 45 45 TRP N N 45 121.640 121.640 117.777 3.863 25944 258 1 1 . 1 1 45 45 TRP HA H 45 4.537 4.537 4.164 0.373 25944 259 1 1 . 1 1 45 45 TRP C C 45 178.515 178.515 179.038 -0.523 25944 260 1 1 . 1 1 45 45 TRP CA C 45 58.862 58.862 60.121 -1.259 25944 261 1 1 . 1 1 45 45 TRP CB C 45 28.572 28.572 28.614 -0.042 25944 262 1 1 . 1 1 45 45 TRP H H 45 10.044 10.044 7.793 2.251 25944 263 1 1 . 1 1 46 46 GLN N N 46 120.394 120.394 118.372 2.022 25944 264 1 1 . 1 1 46 46 GLN HA H 46 4.276 4.276 3.878 0.398 25944 265 1 1 . 1 1 46 46 GLN C C 46 180.992 180.992 178.295 2.697 25944 266 1 1 . 1 1 46 46 GLN CA C 46 59.809 59.809 58.948 0.861 25944 267 1 1 . 1 1 46 46 GLN CB C 46 26.732 26.732 27.975 -1.243 25944 268 1 1 . 1 1 46 46 GLN H H 46 8.652 8.652 8.199 0.453 25944 269 1 1 . 1 1 47 47 HIS N N 47 118.999 118.999 117.894 1.105 25944 270 1 1 . 1 1 47 47 HIS HA H 47 4.304 4.304 4.292 0.012 25944 271 1 1 . 1 1 47 47 HIS C C 47 175.745 175.745 176.195 -0.450 25944 272 1 1 . 1 1 47 47 HIS CA C 47 53.405 53.405 58.439 -5.034 25944 273 1 1 . 1 1 47 47 HIS CB C 47 28.839 28.839 29.594 -0.755 25944 274 1 1 . 1 1 47 47 HIS H H 47 8.640 8.640 7.566 1.074 25944 275 1 1 . 1 1 48 48 ASN N N 48 115.577 115.577 115.642 -0.065 25944 276 1 1 . 1 1 48 48 ASN HA H 48 4.387 4.387 4.664 -0.277 25944 277 1 1 . 1 1 48 48 ASN C C 48 172.379 172.379 173.941 -1.562 25944 278 1 1 . 1 1 48 48 ASN CA C 48 53.783 53.783 53.043 0.740 25944 279 1 1 . 1 1 48 48 ASN CB C 48 38.582 38.582 38.609 -0.027 25944 280 1 1 . 1 1 48 48 ASN H H 48 7.851 7.851 7.629 0.222 25944 281 1 1 . 1 1 49 49 ARG N N 49 114.746 114.746 116.306 -1.560 25944 282 1 1 . 1 1 49 49 ARG HA H 49 3.837 3.837 3.989 -0.152 25944 283 1 1 . 1 1 49 49 ARG C C 49 175.105 175.105 175.610 -0.505 25944 284 1 1 . 1 1 49 49 ARG CA C 49 57.252 57.252 56.649 0.603 25944 285 1 1 . 1 1 49 49 ARG CB C 49 26.100 26.100 27.404 -1.304 25944 286 1 1 . 1 1 49 49 ARG H H 49 7.790 7.790 8.163 -0.373 25944 287 1 1 . 1 1 50 50 VAL N N 50 120.612 120.612 118.682 1.930 25944 288 1 1 . 1 1 50 50 VAL HA H 50 4.169 4.169 4.003 0.166 25944 289 1 1 . 1 1 50 50 VAL C C 50 178.261 178.261 175.928 2.333 25944 290 1 1 . 1 1 50 50 VAL CA C 50 63.272 63.272 63.255 0.017 25944 291 1 1 . 1 1 50 50 VAL CB C 50 31.060 31.060 33.549 -2.489 25944 292 1 1 . 1 1 50 50 VAL H H 50 8.556 8.556 7.713 0.843 25944 293 1 1 . 1 1 51 51 THR N N 51 122.788 122.788 119.008 3.780 25944 294 1 1 . 1 1 51 51 THR HA H 51 4.761 4.761 4.645 0.116 25944 295 1 1 . 1 1 51 51 THR C C 51 176.097 176.097 175.480 0.617 25944 296 1 1 . 1 1 51 51 THR CA C 51 60.823 60.823 60.049 0.774 25944 297 1 1 . 1 1 51 51 THR CB C 51 71.497 71.497 70.625 0.872 25944 298 1 1 . 1 1 51 51 THR H H 51 8.706 8.706 8.001 0.705 25944 299 1 1 . 1 1 52 52 LEU N N 52 120.755 120.755 128.232 -7.477 25944 300 1 1 . 1 1 52 52 LEU HA H 52 3.996 3.996 3.992 0.004 25944 301 1 1 . 1 1 52 52 LEU C C 52 179.154 179.154 178.288 0.866 25944 302 1 1 . 1 1 52 52 LEU CA C 52 58.472 58.472 57.961 0.511 25944 303 1 1 . 1 1 52 52 LEU CB C 52 40.238 40.238 41.440 -1.202 25944 304 1 1 . 1 1 52 52 LEU H H 52 8.990 8.990 9.136 -0.147 25944 305 1 1 . 1 1 53 53 ASP N N 53 117.391 117.391 117.034 0.357 25944 306 1 1 . 1 1 53 53 ASP HA H 53 4.547 4.547 4.250 0.297 25944 307 1 1 . 1 1 53 53 ASP C C 53 178.795 178.795 178.159 0.636 25944 308 1 1 . 1 1 53 53 ASP CA C 53 57.267 57.267 57.040 0.227 25944 309 1 1 . 1 1 53 53 ASP CB C 53 40.462 40.462 40.955 -0.493 25944 310 1 1 . 1 1 53 53 ASP H H 53 8.204 8.204 8.080 0.124 25944 311 1 1 . 1 1 54 54 GLN N N 54 119.886 119.886 119.646 0.240 25944 312 1 1 . 1 1 54 54 GLN C C 54 179.913 179.913 177.821 2.092 25944 313 1 1 . 1 1 54 54 GLN CA C 54 59.022 59.022 58.020 1.002 25944 314 1 1 . 1 1 54 54 GLN CB C 54 29.100 29.100 28.609 0.491 25944 315 1 1 . 1 1 54 54 GLN H H 54 7.761 7.761 7.638 0.123 25944 316 1 1 . 1 1 55 55 ILE N N 55 121.501 121.501 120.304 1.197 25944 317 1 1 . 1 1 55 55 ILE C C 55 177.425 177.425 178.032 -0.607 25944 318 1 1 . 1 1 55 55 ILE CA C 55 61.603 61.603 63.305 -1.702 25944 319 1 1 . 1 1 55 55 ILE CB C 55 33.900 33.900 36.226 -2.326 25944 320 1 1 . 1 1 55 55 ILE H H 55 7.864 7.864 7.636 0.228 25944 321 1 1 . 1 1 56 56 ASP N N 56 122.017 122.017 120.297 1.720 25944 322 1 1 . 1 1 56 56 ASP HA H 56 4.337 4.337 3.289 1.048 25944 323 1 1 . 1 1 56 56 ASP C C 56 177.692 177.692 177.896 -0.204 25944 324 1 1 . 1 1 56 56 ASP CA C 56 58.337 58.337 57.531 0.806 25944 325 1 1 . 1 1 56 56 ASP CB C 56 42.299 42.299 40.365 1.933 25944 326 1 1 . 1 1 56 56 ASP H H 56 8.840 8.840 8.551 0.289 25944 327 1 1 . 1 1 57 57 THR N N 57 114.652 114.652 116.140 -1.488 25944 328 1 1 . 1 1 57 57 THR HA H 57 4.239 4.239 3.913 0.326 25944 329 1 1 . 1 1 57 57 THR C C 57 176.138 176.138 176.431 -0.293 25944 330 1 1 . 1 1 57 57 THR CA C 57 67.433 67.433 66.112 1.321 25944 331 1 1 . 1 1 57 57 THR CB C 57 68.636 68.636 68.654 -0.018 25944 332 1 1 . 1 1 57 57 THR H H 57 8.148 8.148 7.435 0.713 25944 333 1 1 . 1 1 58 58 PHE N N 58 124.453 124.453 122.648 1.805 25944 334 1 1 . 1 1 58 58 PHE HA H 58 4.598 4.598 4.293 0.305 25944 335 1 1 . 1 1 58 58 PHE C C 58 176.122 176.122 175.876 0.246 25944 336 1 1 . 1 1 58 58 PHE CA C 58 59.150 59.150 60.438 -1.288 25944 337 1 1 . 1 1 58 58 PHE CB C 58 38.571 38.571 39.041 -0.470 25944 338 1 1 . 1 1 58 58 PHE H H 58 7.650 7.650 7.355 0.295 25944 339 1 1 . 1 1 59 59 LEU N N 59 120.652 120.652 120.773 -0.121 25944 340 1 1 . 1 1 59 59 LEU HA H 59 3.423 3.423 3.297 0.126 25944 341 1 1 . 1 1 59 59 LEU C C 59 179.603 179.603 178.619 0.984 25944 342 1 1 . 1 1 59 59 LEU CA C 59 57.710 57.710 57.946 -0.236 25944 343 1 1 . 1 1 59 59 LEU CB C 59 39.800 39.800 41.870 -2.070 25944 344 1 1 . 1 1 59 59 LEU H H 59 8.543 8.543 8.352 0.191 25944 345 1 1 . 1 1 60 60 LYS N N 60 119.870 119.870 119.112 0.758 25944 346 1 1 . 1 1 60 60 LYS HA H 60 3.563 3.563 3.817 -0.254 25944 347 1 1 . 1 1 60 60 LYS C C 60 178.258 178.258 179.314 -1.056 25944 348 1 1 . 1 1 60 60 LYS CA C 60 59.797 59.797 59.238 0.559 25944 349 1 1 . 1 1 60 60 LYS CB C 60 32.464 32.464 32.144 0.320 25944 350 1 1 . 1 1 60 60 LYS H H 60 8.105 8.105 7.825 0.280 25944 351 1 1 . 1 1 61 61 LEU N N 61 120.600 120.600 115.687 4.913 25944 352 1 1 . 1 1 61 61 LEU HA H 61 4.117 4.117 4.007 0.110 25944 353 1 1 . 1 1 61 61 LEU C C 61 178.029 178.029 177.181 0.848 25944 354 1 1 . 1 1 61 61 LEU CA C 61 56.880 56.880 57.162 -0.282 25944 355 1 1 . 1 1 61 61 LEU CB C 61 42.059 42.059 41.538 0.521 25944 356 1 1 . 1 1 61 61 LEU H H 61 7.496 7.496 7.393 0.103 25944 357 1 1 . 1 1 62 62 ALA N N 62 118.900 118.900 120.265 -1.365 25944 358 1 1 . 1 1 62 62 ALA HA H 62 3.901 3.901 4.203 -0.302 25944 359 1 1 . 1 1 62 62 ALA C C 62 178.505 178.505 177.627 0.878 25944 360 1 1 . 1 1 62 62 ALA CA C 62 54.603 54.603 52.529 2.074 25944 361 1 1 . 1 1 62 62 ALA CB C 62 19.400 19.400 19.485 -0.085 25944 362 1 1 . 1 1 62 62 ALA H H 62 7.827 7.827 7.676 0.151 25944 363 1 1 . 1 1 63 63 SER N N 63 111.351 111.351 114.786 -3.435 25944 364 1 1 . 1 1 63 63 SER HA H 63 3.390 3.390 4.550 -1.160 25944 365 1 1 . 1 1 63 63 SER C C 63 170.257 170.257 174.200 -3.943 25944 366 1 1 . 1 1 63 63 SER CA C 63 59.687 59.687 57.107 2.580 25944 367 1 1 . 1 1 63 63 SER CB C 63 62.300 62.300 64.834 -2.534 25944 368 1 1 . 1 1 63 63 SER H H 63 7.839 7.839 7.529 0.310 25944 369 1 1 . 1 1 67 67 GLN N N 67 122.300 122.300 117.517 4.783 25944 370 1 1 . 1 1 67 67 GLN HA H 67 4.009 4.009 4.039 -0.030 25944 371 1 1 . 1 1 67 67 GLN C C 67 176.000 176.000 176.215 -0.215 25944 372 1 1 . 1 1 67 67 GLN CA C 67 56.950 56.950 56.542 0.408 25944 373 1 1 . 1 1 67 67 GLN CB C 67 26.500 26.500 27.413 -0.913 25944 374 1 1 . 1 1 67 67 GLN H H 67 8.201 8.201 8.018 0.183 25944 375 1 1 . 1 1 68 68 GLY N N 68 105.200 105.200 106.441 -1.241 25944 376 1 1 . 1 1 68 68 GLY C C 68 174.914 174.914 174.534 0.380 25944 377 1 1 . 1 1 68 68 GLY CA C 68 45.622 45.622 45.152 0.470 25944 378 1 1 . 1 1 68 68 GLY H H 68 8.512 8.512 8.207 0.305 25944 379 1 1 . 1 1 69 69 ALA N N 69 125.585 125.585 126.978 -1.393 25944 380 1 1 . 1 1 69 69 ALA HA H 69 4.020 4.020 4.146 -0.126 25944 381 1 1 . 1 1 69 69 ALA C C 69 180.176 180.176 179.318 0.858 25944 382 1 1 . 1 1 69 69 ALA CA C 69 55.000 55.000 54.312 0.688 25944 383 1 1 . 1 1 69 69 ALA CB C 69 18.200 18.200 19.025 -0.825 25944 384 1 1 . 1 1 69 69 ALA H H 69 8.046 8.046 8.386 -0.340 25944 385 1 1 . 1 1 70 70 LYS N N 70 116.500 116.500 117.399 -0.899 25944 386 1 1 . 1 1 70 70 LYS HA H 70 3.923 3.923 4.175 -0.252 25944 387 1 1 . 1 1 70 70 LYS C C 70 176.800 176.800 177.891 -1.091 25944 388 1 1 . 1 1 70 70 LYS CA C 70 58.530 58.530 58.149 0.381 25944 389 1 1 . 1 1 70 70 LYS H H 70 7.928 7.928 8.627 -0.699 25944 390 1 1 . 1 1 71 71 TYR N N 71 116.400 116.400 119.192 -2.792 25944 391 1 1 . 1 1 71 71 TYR HA H 71 5.173 5.173 4.252 0.921 25944 392 1 1 . 1 1 71 71 TYR C C 71 175.800 175.800 176.786 -0.986 25944 393 1 1 . 1 1 71 71 TYR CA C 71 55.810 55.810 60.226 -4.416 25944 394 1 1 . 1 1 71 71 TYR CB C 71 40.500 40.500 37.948 2.552 25944 395 1 1 . 1 1 71 71 TYR H H 71 7.465 7.465 8.189 -0.724 25944 396 1 1 . 1 1 72 72 ASN N N 72 120.200 120.200 115.798 4.402 25944 397 1 1 . 1 1 72 72 ASN HA H 72 4.421 4.421 4.138 0.283 25944 398 1 1 . 1 1 72 72 ASN C C 72 176.000 176.000 177.179 -1.179 25944 399 1 1 . 1 1 72 72 ASN CA C 72 56.600 56.600 53.977 2.623 25944 400 1 1 . 1 1 72 72 ASN CB C 72 38.690 38.690 38.349 0.341 25944 401 1 1 . 1 1 72 72 ASN H H 72 7.675 7.675 7.601 0.074 25944 402 1 1 . 1 1 73 73 GLN N N 73 119.800 119.800 119.737 0.063 25944 403 1 1 . 1 1 73 73 GLN HA H 73 4.212 4.212 4.065 0.147 25944 404 1 1 . 1 1 73 73 GLN C C 73 178.600 178.600 178.126 0.474 25944 405 1 1 . 1 1 73 73 GLN CA C 73 59.610 59.610 58.916 0.694 25944 406 1 1 . 1 1 73 73 GLN CB C 73 29.460 29.460 28.990 0.470 25944 407 1 1 . 1 1 73 73 GLN H H 73 9.111 9.111 7.483 1.628 25944 408 1 1 . 1 1 74 74 ILE N N 74 119.200 119.200 115.911 3.289 25944 409 1 1 . 1 1 74 74 ILE HA H 74 4.409 4.409 3.880 0.529 25944 410 1 1 . 1 1 74 74 ILE C C 74 177.100 177.100 176.846 0.254 25944 411 1 1 . 1 1 74 74 ILE CA C 74 63.410 63.410 62.831 0.578 25944 412 1 1 . 1 1 74 74 ILE CB C 74 37.700 37.700 37.133 0.567 25944 413 1 1 . 1 1 74 74 ILE H H 74 7.944 7.944 7.425 0.519 25944 414 1 1 . 1 1 75 75 TYR N N 75 119.600 119.600 120.698 -1.098 25944 415 1 1 . 1 1 75 75 TYR HA H 75 3.891 3.891 4.271 -0.380 25944 416 1 1 . 1 1 75 75 TYR C C 75 176.800 176.800 177.145 -0.345 25944 417 1 1 . 1 1 75 75 TYR CA C 75 62.650 62.650 61.002 1.648 25944 418 1 1 . 1 1 75 75 TYR CB C 75 38.950 38.950 38.900 0.050 25944 419 1 1 . 1 1 75 75 TYR H H 75 6.718 6.718 7.662 -0.944 25944 420 1 1 . 1 1 76 76 ASN N N 76 115.900 115.900 119.134 -3.234 25944 421 1 1 . 1 1 76 76 ASN HA H 76 4.385 4.385 4.385 -0.000 25944 422 1 1 . 1 1 76 76 ASN C C 76 178.600 178.600 177.002 1.598 25944 423 1 1 . 1 1 76 76 ASN CA C 76 56.310 56.310 56.698 -0.388 25944 424 1 1 . 1 1 76 76 ASN H H 76 8.901 8.901 7.962 0.939 25944 425 1 1 . 1 1 77 77 SER N N 77 117.000 117.000 115.446 1.554 25944 426 1 1 . 1 1 77 77 SER HA H 77 4.219 4.219 3.991 0.228 25944 427 1 1 . 1 1 77 77 SER C C 77 176.800 176.800 176.272 0.528 25944 428 1 1 . 1 1 77 77 SER CA C 77 62.600 62.600 61.500 1.100 25944 429 1 1 . 1 1 77 77 SER H H 77 8.512 8.512 7.764 0.748 25944 430 1 1 . 1 1 78 78 TYR N N 78 125.400 125.400 122.740 2.660 25944 431 1 1 . 1 1 78 78 TYR HA H 78 4.379 4.379 4.407 -0.028 25944 432 1 1 . 1 1 78 78 TYR C C 78 176.600 176.600 176.571 0.029 25944 433 1 1 . 1 1 78 78 TYR CA C 78 59.800 59.800 61.331 -1.531 25944 434 1 1 . 1 1 78 78 TYR CB C 78 37.200 37.200 38.755 -1.556 25944 435 1 1 . 1 1 78 78 TYR H H 78 8.299 8.299 8.137 0.162 25944 436 1 1 . 1 1 79 79 MET N N 79 118.400 118.400 118.684 -0.284 25944 437 1 1 . 1 1 79 79 MET HA H 79 3.421 3.421 3.830 -0.409 25944 438 1 1 . 1 1 79 79 MET C C 79 178.400 178.400 178.768 -0.368 25944 439 1 1 . 1 1 79 79 MET CA C 79 60.400 60.400 59.261 1.139 25944 440 1 1 . 1 1 79 79 MET CB C 79 32.750 32.750 32.672 0.077 25944 441 1 1 . 1 1 79 79 MET H H 79 8.264 8.264 7.764 0.500 25944 442 1 1 . 1 1 80 80 MET N N 80 117.172 117.172 117.789 -0.617 25944 443 1 1 . 1 1 80 80 MET HA H 80 4.136 4.136 4.210 -0.074 25944 444 1 1 . 1 1 80 80 MET C C 80 179.418 179.418 177.599 1.819 25944 445 1 1 . 1 1 80 80 MET CA C 80 58.419 58.419 57.073 1.346 25944 446 1 1 . 1 1 80 80 MET CB C 80 32.400 32.400 32.275 0.125 25944 447 1 1 . 1 1 80 80 MET H H 80 7.907 7.907 8.308 -0.401 25944 448 1 1 . 1 1 81 81 HIS N N 81 121.510 121.510 117.159 4.351 25944 449 1 1 . 1 1 81 81 HIS HA H 81 4.123 4.123 4.350 -0.227 25944 450 1 1 . 1 1 81 81 HIS C C 81 177.339 177.339 177.688 -0.349 25944 451 1 1 . 1 1 81 81 HIS CA C 81 60.130 60.130 59.069 1.060 25944 452 1 1 . 1 1 81 81 HIS CB C 81 29.556 29.556 29.809 -0.253 25944 453 1 1 . 1 1 81 81 HIS H H 81 8.115 8.115 7.439 0.676 25944 454 1 1 . 1 1 82 82 LEU N N 82 117.015 117.015 117.363 -0.348 25944 455 1 1 . 1 1 82 82 LEU HA H 82 3.856 3.856 4.110 -0.254 25944 456 1 1 . 1 1 82 82 LEU C C 82 178.330 178.330 177.888 0.442 25944 457 1 1 . 1 1 82 82 LEU CA C 82 56.000 56.000 55.784 0.216 25944 458 1 1 . 1 1 82 82 LEU CB C 82 42.503 42.503 41.890 0.613 25944 459 1 1 . 1 1 82 82 LEU H H 82 7.979 7.979 8.169 -0.190 25944 460 1 1 . 1 1 83 83 GLY N N 83 106.661 106.661 107.871 -1.210 25944 461 1 1 . 1 1 83 83 GLY C C 83 174.964 174.964 174.906 0.058 25944 462 1 1 . 1 1 83 83 GLY CA C 83 45.799 45.799 45.796 0.003 25944 463 1 1 . 1 1 83 83 GLY H H 83 7.755 7.755 7.874 -0.119 25944 464 1 1 . 1 1 84 84 LEU N N 84 120.273 120.273 114.774 5.499 25944 465 1 1 . 1 1 84 84 LEU HA H 84 4.399 4.399 4.801 -0.402 25944 466 1 1 . 1 1 84 84 LEU C C 84 177.302 177.302 177.363 -0.061 25944 467 1 1 . 1 1 84 84 LEU CA C 84 55.048 55.048 53.320 1.728 25944 468 1 1 . 1 1 84 84 LEU CB C 84 42.662 42.662 41.971 0.690 25944 469 1 1 . 1 1 84 84 LEU H H 84 7.568 7.568 7.688 -0.120 25944 470 1 1 . 1 1 85 85 THR N N 85 111.602 111.602 116.676 -5.074 25944 471 1 1 . 1 1 85 85 THR HA H 85 4.291 4.291 4.533 -0.242 25944 472 1 1 . 1 1 85 85 THR C C 85 175.115 175.115 175.215 -0.100 25944 473 1 1 . 1 1 85 85 THR CA C 85 62.122 62.122 62.251 -0.129 25944 474 1 1 . 1 1 85 85 THR CB C 85 69.882 69.882 69.578 0.304 25944 475 1 1 . 1 1 85 85 THR H H 85 8.005 8.005 7.851 0.154 25944 476 1 1 . 1 1 86 86 GLY N N 86 110.816 110.816 111.425 -0.609 25944 477 1 1 . 1 1 86 86 GLY C C 86 173.491 173.491 173.805 -0.314 25944 478 1 1 . 1 1 86 86 GLY CA C 86 45.335 45.335 44.969 0.366 25944 479 1 1 . 1 1 86 86 GLY H H 86 8.246 8.246 8.670 -0.424 25944 480 1 1 . 1 1 87 87 TYR N N 87 119.845 119.845 119.418 0.427 25944 481 1 1 . 1 1 87 87 TYR HA H 87 4.505 4.505 4.493 0.012 25944 482 1 1 . 1 1 87 87 TYR C C 87 175.166 175.166 176.905 -1.739 25944 483 1 1 . 1 1 87 87 TYR CA C 87 58.010 58.010 58.903 -0.893 25944 484 1 1 . 1 1 87 87 TYR CB C 87 39.058 39.058 39.177 -0.119 25944 485 1 1 . 1 1 87 87 TYR H H 87 7.935 7.935 8.593 -0.658 25944 486 1 1 . 1 1 88 88 GLU N N 88 125.299 125.299 119.346 5.953 25944 487 1 1 . 1 1 88 88 GLU HA H 88 4.517 4.517 4.684 -0.167 25944 488 1 1 . 1 1 88 88 GLU C C 88 174.024 174.024 175.636 -1.612 25944 489 1 1 . 1 1 88 88 GLU CA C 88 53.851 53.851 54.998 -1.147 25944 490 1 1 . 1 1 88 88 GLU CB C 88 30.050 30.050 30.421 -0.371 25944 491 1 1 . 1 1 88 88 GLU H H 88 8.205 8.205 8.194 0.011 25944 492 1 1 . 1 1 89 89 PRO HA H 89 4.302 4.302 4.394 -0.092 25944 493 1 1 . 1 1 89 89 PRO C C 89 176.800 176.800 176.124 0.676 25944 494 1 1 . 1 1 89 89 PRO CA C 89 63.237 63.237 64.066 -0.829 25944 495 1 1 . 1 1 89 89 PRO CB C 89 32.100 32.100 32.198 -0.098 25944 496 1 1 . 1 1 90 90 ASN N N 90 118.411 118.411 114.914 3.497 25944 497 1 1 . 1 1 90 90 ASN HA H 90 4.658 4.658 4.785 -0.127 25944 498 1 1 . 1 1 90 90 ASN C C 90 175.462 175.462 173.029 2.433 25944 499 1 1 . 1 1 90 90 ASN CA C 90 53.497 53.497 52.668 0.829 25944 500 1 1 . 1 1 90 90 ASN CB C 90 38.809 38.809 39.561 -0.752 25944 501 1 1 . 1 1 90 90 ASN H H 90 8.649 8.649 7.866 0.783 25944 502 1 1 . 1 1 91 91 SER N N 91 116.049 116.049 115.156 0.893 25944 503 1 1 . 1 1 91 91 SER HA H 91 4.396 4.396 4.918 -0.522 25944 504 1 1 . 1 1 91 91 SER C C 91 174.844 174.844 172.640 2.204 25944 505 1 1 . 1 1 91 91 SER CA C 91 58.769 58.769 57.892 0.877 25944 506 1 1 . 1 1 91 91 SER CB C 91 63.927 63.927 64.472 -0.545 25944 507 1 1 . 1 1 91 91 SER H H 91 8.255 8.255 8.809 -0.554 25944 508 1 1 . 1 1 92 92 SER N N 92 117.736 117.736 119.398 -1.662 25944 509 1 1 . 1 1 92 92 SER HA H 92 4.414 4.414 5.126 -0.712 25944 510 1 1 . 1 1 92 92 SER C C 92 174.749 174.749 173.184 1.565 25944 511 1 1 . 1 1 92 92 SER CA C 92 58.651 58.651 58.141 0.510 25944 512 1 1 . 1 1 92 92 SER CB C 92 63.952 63.952 64.915 -0.963 25944 513 1 1 . 1 1 92 92 SER H H 92 8.399 8.399 8.593 -0.194 25944 514 1 1 . 1 1 93 93 SER N N 93 117.731 117.731 116.352 1.379 25944 515 1 1 . 1 1 93 93 SER HA H 93 4.437 4.437 4.578 -0.141 25944 516 1 1 . 1 1 93 93 SER C C 93 174.918 174.918 172.635 2.283 25944 517 1 1 . 1 1 93 93 SER CA C 93 58.696 58.696 58.496 0.200 25944 518 1 1 . 1 1 93 93 SER CB C 93 63.822 63.822 63.957 -0.135 25944 519 1 1 . 1 1 93 93 SER H H 93 8.308 8.308 8.282 0.026 25944 520 1 1 . 1 1 94 94 VAL N N 94 121.028 121.028 120.122 0.906 25944 521 1 1 . 1 1 94 94 VAL HA H 94 4.020 4.020 4.444 -0.424 25944 522 1 1 . 1 1 94 94 VAL C C 94 176.301 176.301 175.893 0.408 25944 523 1 1 . 1 1 94 94 VAL CA C 94 63.176 63.176 62.002 1.174 25944 524 1 1 . 1 1 94 94 VAL CB C 94 32.797 32.797 32.851 -0.054 25944 525 1 1 . 1 1 94 94 VAL H H 94 8.026 8.026 8.285 -0.259 25944 526 1 1 . 1 1 95 95 ASP N N 95 122.997 122.997 124.523 -1.526 25944 527 1 1 . 1 1 95 95 ASP HA H 95 4.537 4.537 4.749 -0.212 25944 528 1 1 . 1 1 95 95 ASP C C 95 176.937 176.937 176.589 0.348 25944 529 1 1 . 1 1 95 95 ASP CA C 95 54.806 54.806 53.977 0.829 25944 530 1 1 . 1 1 95 95 ASP CB C 95 41.014 41.014 40.868 0.146 25944 531 1 1 . 1 1 95 95 ASP H H 95 8.274 8.274 8.773 -0.499 25944 532 1 1 . 1 1 96 96 LYS N N 96 121.796 121.796 120.609 1.187 25944 533 1 1 . 1 1 96 96 LYS HA H 96 4.163 4.163 4.151 0.012 25944 534 1 1 . 1 1 96 96 LYS C C 96 177.534 177.534 177.782 -0.248 25944 535 1 1 . 1 1 96 96 LYS CA C 96 57.500 57.500 58.381 -0.881 25944 536 1 1 . 1 1 96 96 LYS CB C 96 32.171 32.171 32.484 -0.313 25944 537 1 1 . 1 1 96 96 LYS H H 96 8.159 8.159 8.053 0.106 25944 538 1 1 . 1 1 97 97 LEU N N 97 121.703 121.703 119.734 1.969 25944 539 1 1 . 1 1 97 97 LEU HA H 97 4.216 4.216 4.047 0.169 25944 540 1 1 . 1 1 97 97 LEU C C 97 177.892 177.892 178.304 -0.412 25944 541 1 1 . 1 1 97 97 LEU CA C 97 56.024 56.024 56.989 -0.965 25944 542 1 1 . 1 1 97 97 LEU CB C 97 41.755 41.755 40.797 0.958 25944 543 1 1 . 1 1 97 97 LEU H H 97 8.097 8.097 8.446 -0.349 25944 544 1 1 . 1 1 98 98 ALA N N 98 123.261 123.261 120.185 3.076 25944 545 1 1 . 1 1 98 98 ALA HA H 98 4.158 4.158 4.178 -0.020 25944 546 1 1 . 1 1 98 98 ALA C C 98 178.590 178.590 177.620 0.970 25944 547 1 1 . 1 1 98 98 ALA CA C 98 53.201 53.201 53.148 0.053 25944 548 1 1 . 1 1 98 98 ALA CB C 98 18.643 18.643 18.660 -0.017 25944 549 1 1 . 1 1 98 98 ALA H H 98 7.998 7.998 7.924 0.074 25944 550 1 1 . 1 1 99 99 ALA N N 99 121.686 121.686 122.753 -1.067 25944 551 1 1 . 1 1 99 99 ALA HA H 99 4.173 4.173 4.272 -0.099 25944 552 1 1 . 1 1 99 99 ALA C C 99 178.303 178.303 176.879 1.424 25944 553 1 1 . 1 1 99 99 ALA CA C 99 53.182 53.182 51.731 1.451 25944 554 1 1 . 1 1 99 99 ALA CB C 99 18.638 18.638 19.643 -1.005 25944 555 1 1 . 1 1 99 99 ALA H H 99 8.009 8.009 7.462 0.547 25944 556 1 1 . 1 1 100 100 ALA N N 100 121.570 121.570 124.060 -2.490 25944 557 1 1 . 1 1 100 100 ALA HA H 100 4.218 4.218 4.362 -0.144 25944 558 1 1 . 1 1 100 100 ALA C C 100 178.276 178.276 177.547 0.729 25944 559 1 1 . 1 1 100 100 ALA CA C 100 52.889 52.889 52.044 0.845 25944 560 1 1 . 1 1 100 100 ALA CB C 100 18.756 18.756 19.634 -0.878 25944 561 1 1 . 1 1 100 100 ALA H H 100 7.950 7.950 8.070 -0.120 25944 562 1 1 . 1 1 101 101 LEU N N 101 120.160 120.160 114.176 5.984 25944 563 1 1 . 1 1 101 101 LEU HA H 101 4.223 4.223 4.791 -0.568 25944 564 1 1 . 1 1 101 101 LEU C C 101 177.673 177.673 176.327 1.346 25944 565 1 1 . 1 1 101 101 LEU CA C 101 55.529 55.529 54.541 0.988 25944 566 1 1 . 1 1 101 101 LEU CB C 101 42.213 42.213 42.166 0.047 25944 567 1 1 . 1 1 101 101 LEU H H 101 7.931 7.931 8.162 -0.231 25944 568 1 2 . 1 1 2 2 ASN N N 2 118.138 118.138 117.174 0.964 25944 569 1 2 . 1 1 2 2 ASN HA H 2 4.638 4.638 4.380 0.258 25944 570 1 2 . 1 1 2 2 ASN C C 2 174.541 174.541 174.717 -0.176 25944 571 1 2 . 1 1 2 2 ASN CA C 2 53.194 53.194 53.500 -0.306 25944 572 1 2 . 1 1 2 2 ASN CB C 2 39.191 39.191 37.175 2.017 25944 573 1 2 . 1 1 2 2 ASN H H 2 8.331 8.331 8.366 -0.035 25944 574 1 2 . 1 1 3 3 PHE N N 3 121.233 121.233 119.206 2.027 25944 575 1 2 . 1 1 3 3 PHE HA H 3 4.418 4.418 4.615 -0.197 25944 576 1 2 . 1 1 3 3 PHE C C 3 174.939 174.939 176.601 -1.662 25944 577 1 2 . 1 1 3 3 PHE CA C 3 57.817 57.817 58.265 -0.448 25944 578 1 2 . 1 1 3 3 PHE CB C 3 39.377 39.377 39.105 0.272 25944 579 1 2 . 1 1 3 3 PHE H H 3 8.358 8.358 8.032 0.326 25944 580 1 2 . 1 1 4 4 ASN N N 4 121.091 121.091 120.424 0.667 25944 581 1 2 . 1 1 4 4 ASN HA H 4 4.614 4.614 4.675 -0.061 25944 582 1 2 . 1 1 4 4 ASN C C 4 175.107 175.107 174.841 0.266 25944 583 1 2 . 1 1 4 4 ASN CA C 4 52.869 52.869 53.478 -0.609 25944 584 1 2 . 1 1 4 4 ASN CB C 4 38.853 38.853 39.017 -0.164 25944 585 1 2 . 1 1 4 4 ASN H H 4 8.333 8.333 8.154 0.179 25944 586 1 2 . 1 1 5 5 LEU N N 5 123.882 123.882 113.660 10.222 25944 587 1 2 . 1 1 5 5 LEU HA H 5 4.597 4.597 4.823 -0.226 25944 588 1 2 . 1 1 5 5 LEU C C 5 177.372 177.372 175.803 1.569 25944 589 1 2 . 1 1 5 5 LEU CA C 5 56.030 56.030 54.506 1.524 25944 590 1 2 . 1 1 5 5 LEU CB C 5 41.775 41.775 40.974 0.801 25944 591 1 2 . 1 1 5 5 LEU H H 5 8.259 8.259 8.191 0.068 25944 592 1 2 . 1 1 6 6 ALA N N 6 122.630 122.630 122.490 0.140 25944 593 1 2 . 1 1 6 6 ALA HA H 6 4.213 4.213 4.588 -0.375 25944 594 1 2 . 1 1 6 6 ALA C C 6 178.088 178.088 176.219 1.869 25944 595 1 2 . 1 1 6 6 ALA CA C 6 53.201 53.201 51.697 1.504 25944 596 1 2 . 1 1 6 6 ALA CB C 6 18.533 18.533 20.442 -1.909 25944 597 1 2 . 1 1 6 6 ALA H H 6 8.132 8.132 7.646 0.486 25944 598 1 2 . 1 1 7 7 SER N N 7 113.309 113.309 115.387 -2.078 25944 599 1 2 . 1 1 7 7 SER HA H 7 4.333 4.333 4.348 -0.015 25944 600 1 2 . 1 1 7 7 SER C C 7 174.347 174.347 174.847 -0.500 25944 601 1 2 . 1 1 7 7 SER CA C 7 58.244 58.244 58.175 0.069 25944 602 1 2 . 1 1 7 7 SER CB C 7 63.655 63.655 63.757 -0.102 25944 603 1 2 . 1 1 7 7 SER H H 7 7.866 7.866 8.320 -0.454 25944 604 1 2 . 1 1 8 8 LEU N N 8 123.236 123.236 123.119 0.117 25944 605 1 2 . 1 1 8 8 LEU HA H 8 4.156 4.156 4.402 -0.246 25944 606 1 2 . 1 1 8 8 LEU C C 8 176.617 176.617 176.003 0.614 25944 607 1 2 . 1 1 8 8 LEU CA C 8 55.368 55.368 54.971 0.397 25944 608 1 2 . 1 1 8 8 LEU CB C 8 42.800 42.800 42.106 0.694 25944 609 1 2 . 1 1 8 8 LEU H H 8 7.786 7.786 8.359 -0.573 25944 610 1 2 . 1 1 9 9 ASN N N 9 120.087 120.087 125.498 -5.411 25944 611 1 2 . 1 1 9 9 ASN HA H 9 4.502 4.502 5.018 -0.516 25944 612 1 2 . 1 1 9 9 ASN C C 9 175.557 175.557 174.658 0.899 25944 613 1 2 . 1 1 9 9 ASN CA C 9 52.922 52.922 52.901 0.021 25944 614 1 2 . 1 1 9 9 ASN CB C 9 38.529 38.529 39.522 -0.993 25944 615 1 2 . 1 1 9 9 ASN H H 9 8.127 8.127 8.758 -0.631 25944 616 1 2 . 1 1 10 10 GLU N N 10 121.943 121.943 120.591 1.352 25944 617 1 2 . 1 1 10 10 GLU HA H 10 3.419 3.419 4.725 -1.306 25944 618 1 2 . 1 1 10 10 GLU C C 10 176.176 176.176 175.700 0.476 25944 619 1 2 . 1 1 10 10 GLU CA C 10 58.261 58.261 56.960 1.301 25944 620 1 2 . 1 1 10 10 GLU CB C 10 29.371 29.371 29.948 -0.577 25944 621 1 2 . 1 1 10 10 GLU H H 10 8.479 8.479 8.896 -0.417 25944 622 1 2 . 1 1 11 11 GLU N N 11 117.932 117.932 118.616 -0.684 25944 623 1 2 . 1 1 11 11 GLU HA H 11 3.893 3.893 4.364 -0.471 25944 624 1 2 . 1 1 11 11 GLU C C 11 178.292 178.292 175.789 2.503 25944 625 1 2 . 1 1 11 11 GLU CA C 11 57.418 57.418 55.903 1.515 25944 626 1 2 . 1 1 11 11 GLU CB C 11 28.967 28.967 29.392 -0.425 25944 627 1 2 . 1 1 11 11 GLU H H 11 7.876 7.876 8.438 -0.562 25944 628 1 2 . 1 1 12 12 MET N N 12 118.969 118.969 116.959 2.010 25944 629 1 2 . 1 1 12 12 MET HA H 12 3.810 3.810 3.996 -0.186 25944 630 1 2 . 1 1 12 12 MET C C 12 175.419 175.419 175.192 0.227 25944 631 1 2 . 1 1 12 12 MET CA C 12 57.481 57.481 55.650 1.831 25944 632 1 2 . 1 1 12 12 MET CB C 12 32.160 32.160 32.647 -0.487 25944 633 1 2 . 1 1 12 12 MET H H 12 7.524 7.524 7.613 -0.089 25944 634 1 2 . 1 1 13 13 PHE N N 13 113.294 113.294 114.742 -1.448 25944 635 1 2 . 1 1 13 13 PHE HA H 13 4.463 4.463 4.509 -0.046 25944 636 1 2 . 1 1 13 13 PHE C C 13 176.009 176.009 174.897 1.112 25944 637 1 2 . 1 1 13 13 PHE CA C 13 54.932 54.932 57.214 -2.282 25944 638 1 2 . 1 1 13 13 PHE CB C 13 37.856 37.856 39.441 -1.585 25944 639 1 2 . 1 1 13 13 PHE H H 13 6.975 6.975 6.891 0.084 25944 640 1 2 . 1 1 14 14 ASN N N 14 116.706 116.706 118.467 -1.761 25944 641 1 2 . 1 1 14 14 ASN HA H 14 4.778 4.778 4.992 -0.214 25944 642 1 2 . 1 1 14 14 ASN C C 14 176.202 176.202 176.233 -0.031 25944 643 1 2 . 1 1 14 14 ASN CA C 14 52.333 52.333 53.189 -0.856 25944 644 1 2 . 1 1 14 14 ASN CB C 14 36.421 36.421 38.673 -2.252 25944 645 1 2 . 1 1 14 14 ASN H H 14 7.211 7.211 8.054 -0.843 25944 646 1 2 . 1 1 15 15 VAL N N 15 121.352 121.352 119.238 2.114 25944 647 1 2 . 1 1 15 15 VAL HA H 15 3.642 3.642 3.514 0.128 25944 648 1 2 . 1 1 15 15 VAL C C 15 177.523 177.523 175.951 1.572 25944 649 1 2 . 1 1 15 15 VAL CA C 15 63.407 63.407 64.957 -1.550 25944 650 1 2 . 1 1 15 15 VAL CB C 15 31.120 31.120 31.478 -0.358 25944 651 1 2 . 1 1 15 15 VAL H H 15 7.971 7.971 8.529 -0.558 25944 652 1 2 . 1 1 16 16 ALA N N 16 124.345 124.345 118.836 5.509 25944 653 1 2 . 1 1 16 16 ALA HA H 16 4.170 4.170 4.371 -0.201 25944 654 1 2 . 1 1 16 16 ALA C C 16 178.288 178.288 177.345 0.943 25944 655 1 2 . 1 1 16 16 ALA CA C 16 54.170 54.170 53.300 0.870 25944 656 1 2 . 1 1 16 16 ALA CB C 16 17.945 17.945 18.804 -0.859 25944 657 1 2 . 1 1 16 16 ALA H H 16 8.414 8.414 8.013 0.401 25944 658 1 2 . 1 1 17 17 ALA N N 17 116.960 116.960 120.272 -3.312 25944 659 1 2 . 1 1 17 17 ALA HA H 17 4.309 4.309 4.615 -0.306 25944 660 1 2 . 1 1 17 17 ALA C C 17 177.660 177.660 177.207 0.453 25944 661 1 2 . 1 1 17 17 ALA CA C 17 51.666 51.666 51.922 -0.256 25944 662 1 2 . 1 1 17 17 ALA CB C 17 19.331 19.331 20.533 -1.202 25944 663 1 2 . 1 1 17 17 ALA H H 17 7.099 7.099 8.022 -0.923 25944 664 1 2 . 1 1 18 18 LEU N N 18 119.640 119.640 119.983 -0.343 25944 665 1 2 . 1 1 18 18 LEU HA H 18 4.479 4.479 4.642 -0.163 25944 666 1 2 . 1 1 18 18 LEU C C 18 176.424 176.424 175.799 0.625 25944 667 1 2 . 1 1 18 18 LEU CA C 18 54.960 54.960 55.116 -0.156 25944 668 1 2 . 1 1 18 18 LEU CB C 18 42.000 42.000 42.517 -0.517 25944 669 1 2 . 1 1 18 18 LEU H H 18 7.256 7.256 7.873 -0.617 25944 670 1 2 . 1 1 19 19 THR N N 19 110.240 110.240 116.052 -5.812 25944 671 1 2 . 1 1 19 19 THR HA H 19 4.389 4.389 4.606 -0.217 25944 672 1 2 . 1 1 19 19 THR C C 19 174.905 174.905 173.998 0.907 25944 673 1 2 . 1 1 19 19 THR CA C 19 61.970 61.970 61.497 0.473 25944 674 1 2 . 1 1 19 19 THR CB C 19 70.500 70.500 70.158 0.342 25944 675 1 2 . 1 1 19 19 THR H H 19 8.319 8.319 8.392 -0.073 25944 676 1 2 . 1 1 20 20 LYS N N 20 121.645 121.645 124.696 -3.051 25944 677 1 2 . 1 1 20 20 LYS HA H 20 4.724 4.724 4.400 0.324 25944 678 1 2 . 1 1 20 20 LYS C C 20 177.100 177.100 175.473 1.627 25944 679 1 2 . 1 1 20 20 LYS CA C 20 54.890 54.890 55.660 -0.770 25944 680 1 2 . 1 1 20 20 LYS CB C 20 33.700 33.700 33.960 -0.260 25944 681 1 2 . 1 1 20 20 LYS H H 20 7.854 7.854 8.125 -0.271 25944 682 1 2 . 1 1 21 21 ARG N N 21 126.200 126.200 120.428 5.772 25944 683 1 2 . 1 1 21 21 ARG HA H 21 3.831 3.831 4.078 -0.247 25944 684 1 2 . 1 1 21 21 ARG C C 21 178.431 178.431 178.073 0.358 25944 685 1 2 . 1 1 21 21 ARG CA C 21 60.280 60.280 58.289 1.991 25944 686 1 2 . 1 1 21 21 ARG CB C 21 30.600 30.600 30.375 0.225 25944 687 1 2 . 1 1 21 21 ARG H H 21 9.171 9.171 8.436 0.735 25944 688 1 2 . 1 1 22 22 ALA N N 22 118.555 118.555 122.454 -3.899 25944 689 1 2 . 1 1 22 22 ALA HA H 22 4.053 4.053 4.164 -0.111 25944 690 1 2 . 1 1 22 22 ALA C C 22 180.573 180.573 178.948 1.625 25944 691 1 2 . 1 1 22 22 ALA CA C 22 55.480 55.480 54.740 0.740 25944 692 1 2 . 1 1 22 22 ALA CB C 22 18.700 18.700 18.174 0.526 25944 693 1 2 . 1 1 22 22 ALA H H 22 8.982 8.982 8.169 0.813 25944 694 1 2 . 1 1 23 23 ASP N N 23 116.363 116.363 119.787 -3.424 25944 695 1 2 . 1 1 23 23 ASP HA H 23 4.455 4.455 4.422 0.033 25944 696 1 2 . 1 1 23 23 ASP C C 23 178.418 178.418 178.336 0.082 25944 697 1 2 . 1 1 23 23 ASP CA C 23 56.697 56.697 57.490 -0.793 25944 698 1 2 . 1 1 23 23 ASP CB C 23 41.260 41.260 40.420 0.840 25944 699 1 2 . 1 1 23 23 ASP H H 23 6.880 6.880 8.573 -1.693 25944 700 1 2 . 1 1 24 24 ALA N N 24 124.072 124.072 119.356 4.716 25944 701 1 2 . 1 1 24 24 ALA HA H 24 4.307 4.307 4.323 -0.016 25944 702 1 2 . 1 1 24 24 ALA C C 24 178.301 178.301 179.172 -0.871 25944 703 1 2 . 1 1 24 24 ALA CA C 24 55.376 55.376 55.070 0.306 25944 704 1 2 . 1 1 24 24 ALA CB C 24 17.900 17.900 18.399 -0.499 25944 705 1 2 . 1 1 24 24 ALA H H 24 7.882 7.882 8.359 -0.477 25944 706 1 2 . 1 1 25 25 LYS N N 25 118.064 118.064 118.071 -0.007 25944 707 1 2 . 1 1 25 25 LYS HA H 25 3.748 3.748 3.975 -0.227 25944 708 1 2 . 1 1 25 25 LYS C C 25 177.149 177.149 178.219 -1.070 25944 709 1 2 . 1 1 25 25 LYS CA C 25 60.613 60.613 58.748 1.865 25944 710 1 2 . 1 1 25 25 LYS CB C 25 32.433 32.433 32.056 0.377 25944 711 1 2 . 1 1 25 25 LYS H H 25 8.799 8.799 7.431 1.368 25944 712 1 2 . 1 1 26 26 LYS N N 26 116.995 116.995 120.332 -3.337 25944 713 1 2 . 1 1 26 26 LYS HA H 26 3.919 3.919 4.148 -0.229 25944 714 1 2 . 1 1 26 26 LYS C C 26 179.262 179.262 178.690 0.572 25944 715 1 2 . 1 1 26 26 LYS CA C 26 59.980 59.980 59.184 0.796 25944 716 1 2 . 1 1 26 26 LYS CB C 26 32.370 32.370 32.318 0.052 25944 717 1 2 . 1 1 26 26 LYS H H 26 7.507 7.507 8.031 -0.524 25944 718 1 2 . 1 1 27 27 LEU N N 27 118.319 118.319 119.814 -1.495 25944 719 1 2 . 1 1 27 27 LEU HA H 27 4.387 4.387 4.118 0.269 25944 720 1 2 . 1 1 27 27 LEU C C 27 178.187 178.187 179.004 -0.817 25944 721 1 2 . 1 1 27 27 LEU CA C 27 57.928 57.928 58.175 -0.246 25944 722 1 2 . 1 1 27 27 LEU CB C 27 40.941 40.941 42.292 -1.351 25944 723 1 2 . 1 1 27 27 LEU H H 27 7.359 7.359 7.808 -0.449 25944 724 1 2 . 1 1 28 28 ALA N N 28 121.257 121.257 119.935 1.322 25944 725 1 2 . 1 1 28 28 ALA HA H 28 3.677 3.677 4.349 -0.672 25944 726 1 2 . 1 1 28 28 ALA C C 28 179.000 179.000 178.940 0.060 25944 727 1 2 . 1 1 28 28 ALA CA C 28 56.364 56.364 54.749 1.615 25944 728 1 2 . 1 1 28 28 ALA CB C 28 16.138 16.138 17.859 -1.721 25944 729 1 2 . 1 1 28 28 ALA H H 28 8.571 8.571 7.730 0.841 25944 730 1 2 . 1 1 29 29 LYS N N 29 114.495 114.495 119.984 -5.489 25944 731 1 2 . 1 1 29 29 LYS HA H 29 3.834 3.834 3.931 -0.097 25944 732 1 2 . 1 1 29 29 LYS C C 29 180.597 180.597 178.524 2.073 25944 733 1 2 . 1 1 29 29 LYS CA C 29 60.073 60.073 59.588 0.485 25944 734 1 2 . 1 1 29 29 LYS CB C 29 32.334 32.334 32.250 0.084 25944 735 1 2 . 1 1 29 29 LYS H H 29 8.312 8.312 7.662 0.650 25944 736 1 2 . 1 1 30 30 GLN N N 30 119.983 119.983 117.401 2.582 25944 737 1 2 . 1 1 30 30 GLN HA H 30 4.120 4.120 4.169 -0.049 25944 738 1 2 . 1 1 30 30 GLN C C 30 179.114 179.114 178.734 0.380 25944 739 1 2 . 1 1 30 30 GLN CA C 30 59.063 59.063 58.653 0.410 25944 740 1 2 . 1 1 30 30 GLN CB C 30 29.010 29.010 28.188 0.822 25944 741 1 2 . 1 1 30 30 GLN H H 30 7.793 7.793 7.684 0.109 25944 742 1 2 . 1 1 31 31 LEU N N 31 117.633 117.633 119.649 -2.016 25944 743 1 2 . 1 1 31 31 LEU HA H 31 3.927 3.927 4.316 -0.389 25944 744 1 2 . 1 1 31 31 LEU C C 31 178.747 178.747 178.179 0.568 25944 745 1 2 . 1 1 31 31 LEU CA C 31 57.608 57.608 56.829 0.779 25944 746 1 2 . 1 1 31 31 LEU CB C 31 41.099 41.099 42.246 -1.147 25944 747 1 2 . 1 1 31 31 LEU H H 31 8.348 8.348 7.333 1.015 25944 748 1 2 . 1 1 32 32 MET N N 32 115.087 115.087 115.450 -0.363 25944 749 1 2 . 1 1 32 32 MET HA H 32 4.291 4.291 4.500 -0.209 25944 750 1 2 . 1 1 32 32 MET C C 32 178.337 178.337 177.758 0.579 25944 751 1 2 . 1 1 32 32 MET CA C 32 56.190 56.190 57.334 -1.144 25944 752 1 2 . 1 1 32 32 MET CB C 32 33.237 33.237 33.450 -0.213 25944 753 1 2 . 1 1 32 32 MET H H 32 8.083 8.083 7.957 0.126 25944 754 1 2 . 1 1 33 33 GLY N N 33 102.979 102.979 107.866 -4.887 25944 755 1 2 . 1 1 33 33 GLY C C 33 173.716 173.716 174.480 -0.764 25944 756 1 2 . 1 1 33 33 GLY CA C 33 45.341 45.341 45.107 0.234 25944 757 1 2 . 1 1 33 33 GLY H H 33 7.514 7.514 7.879 -0.365 25944 758 1 2 . 1 1 34 34 ASN N N 34 117.931 117.931 122.680 -4.749 25944 759 1 2 . 1 1 34 34 ASN HA H 34 4.911 4.911 4.693 0.218 25944 760 1 2 . 1 1 34 34 ASN C C 34 173.721 173.721 175.877 -2.156 25944 761 1 2 . 1 1 34 34 ASN CA C 34 52.465 52.465 53.897 -1.432 25944 762 1 2 . 1 1 34 34 ASN CB C 34 39.303 39.303 38.664 0.639 25944 763 1 2 . 1 1 34 34 ASN H H 34 7.176 7.176 8.232 -1.056 25944 764 1 2 . 1 1 35 35 ASP N N 35 125.367 125.367 126.529 -1.162 25944 765 1 2 . 1 1 35 35 ASP HA H 35 4.396 4.396 4.341 0.055 25944 766 1 2 . 1 1 35 35 ASP C C 35 177.810 177.810 177.501 0.309 25944 767 1 2 . 1 1 35 35 ASP CA C 35 57.193 57.193 57.490 -0.297 25944 768 1 2 . 1 1 35 35 ASP CB C 35 40.007 40.007 40.840 -0.833 25944 769 1 2 . 1 1 35 35 ASP H H 35 8.857 8.857 8.710 0.147 25944 770 1 2 . 1 1 36 36 LYS N N 36 119.269 119.269 120.798 -1.529 25944 771 1 2 . 1 1 36 36 LYS HA H 36 4.146 4.146 4.122 0.024 25944 772 1 2 . 1 1 36 36 LYS C C 36 179.704 179.704 178.003 1.701 25944 773 1 2 . 1 1 36 36 LYS CA C 36 58.391 58.391 58.435 -0.044 25944 774 1 2 . 1 1 36 36 LYS CB C 36 31.904 31.904 30.756 1.148 25944 775 1 2 . 1 1 36 36 LYS H H 36 7.972 7.972 8.448 -0.476 25944 776 1 2 . 1 1 37 37 LEU N N 37 122.961 122.961 120.022 2.939 25944 777 1 2 . 1 1 37 37 LEU HA H 37 3.938 3.938 4.328 -0.390 25944 778 1 2 . 1 1 37 37 LEU C C 37 177.699 177.699 177.929 -0.230 25944 779 1 2 . 1 1 37 37 LEU CA C 37 56.863 56.863 56.813 0.050 25944 780 1 2 . 1 1 37 37 LEU CB C 37 42.072 42.072 41.812 0.260 25944 781 1 2 . 1 1 37 37 LEU H H 37 7.370 7.370 7.707 -0.337 25944 782 1 2 . 1 1 38 38 ALA N N 38 120.603 120.603 121.781 -1.178 25944 783 1 2 . 1 1 38 38 ALA HA H 38 3.270 3.270 3.893 -0.623 25944 784 1 2 . 1 1 38 38 ALA C C 38 176.450 176.450 179.425 -2.975 25944 785 1 2 . 1 1 38 38 ALA CA C 38 55.268 55.268 55.218 0.050 25944 786 1 2 . 1 1 38 38 ALA CB C 38 16.619 16.619 17.842 -1.223 25944 787 1 2 . 1 1 38 38 ALA H H 38 7.918 7.918 8.130 -0.212 25944 788 1 2 . 1 1 39 39 ASP N N 39 113.981 113.981 119.097 -5.116 25944 789 1 2 . 1 1 39 39 ASP HA H 39 4.082 4.082 4.584 -0.502 25944 790 1 2 . 1 1 39 39 ASP C C 39 178.258 178.258 177.872 0.386 25944 791 1 2 . 1 1 39 39 ASP CA C 39 57.308 57.308 57.790 -0.482 25944 792 1 2 . 1 1 39 39 ASP CB C 39 40.859 40.859 40.808 0.051 25944 793 1 2 . 1 1 39 39 ASP H H 39 7.594 7.594 8.357 -0.763 25944 794 1 2 . 1 1 40 40 ALA N N 40 119.475 119.475 120.892 -1.417 25944 795 1 2 . 1 1 40 40 ALA HA H 40 3.831 3.831 4.256 -0.425 25944 796 1 2 . 1 1 40 40 ALA C C 40 179.459 179.459 178.849 0.610 25944 797 1 2 . 1 1 40 40 ALA CA C 40 54.590 54.590 53.796 0.794 25944 798 1 2 . 1 1 40 40 ALA CB C 40 17.241 17.241 18.765 -1.524 25944 799 1 2 . 1 1 40 40 ALA H H 40 6.934 6.934 7.656 -0.722 25944 800 1 2 . 1 1 41 41 ALA N N 41 124.918 124.918 123.535 1.383 25944 801 1 2 . 1 1 41 41 ALA HA H 41 1.920 1.920 2.808 -0.888 25944 802 1 2 . 1 1 41 41 ALA C C 41 177.309 177.309 177.901 -0.592 25944 803 1 2 . 1 1 41 41 ALA CA C 41 54.473 54.473 54.042 0.431 25944 804 1 2 . 1 1 41 41 ALA CB C 41 16.412 16.412 18.193 -1.781 25944 805 1 2 . 1 1 41 41 ALA H H 41 7.384 7.384 7.469 -0.085 25944 806 1 2 . 1 1 42 42 TYR N N 42 115.340 115.340 117.235 -1.895 25944 807 1 2 . 1 1 42 42 TYR HA H 42 4.164 4.164 4.450 -0.286 25944 808 1 2 . 1 1 42 42 TYR C C 42 179.228 179.228 177.613 1.615 25944 809 1 2 . 1 1 42 42 TYR CA C 42 58.300 58.300 60.781 -2.481 25944 810 1 2 . 1 1 42 42 TYR CB C 42 35.365 35.365 38.009 -2.644 25944 811 1 2 . 1 1 42 42 TYR H H 42 7.639 7.639 8.419 -0.780 25944 812 1 2 . 1 1 43 43 ILE N N 43 117.754 117.754 118.011 -0.257 25944 813 1 2 . 1 1 43 43 ILE HA H 43 3.839 3.839 3.457 0.383 25944 814 1 2 . 1 1 43 43 ILE C C 43 178.090 178.090 177.387 0.703 25944 815 1 2 . 1 1 43 43 ILE CA C 43 64.721 64.721 61.287 3.434 25944 816 1 2 . 1 1 43 43 ILE CB C 43 39.511 39.511 36.587 2.924 25944 817 1 2 . 1 1 43 43 ILE H H 43 7.321 7.321 7.023 0.298 25944 818 1 2 . 1 1 44 44 TRP N N 44 124.439 124.439 123.497 0.942 25944 819 1 2 . 1 1 44 44 TRP HA H 44 4.049 4.049 4.276 -0.227 25944 820 1 2 . 1 1 44 44 TRP C C 44 181.073 181.073 178.273 2.800 25944 821 1 2 . 1 1 44 44 TRP CA C 44 63.008 63.008 61.139 1.869 25944 822 1 2 . 1 1 44 44 TRP CB C 44 30.286 30.286 29.200 1.086 25944 823 1 2 . 1 1 44 44 TRP H H 44 8.016 8.016 6.988 1.028 25944 824 1 2 . 1 1 45 45 TRP N N 45 121.640 121.640 117.510 4.130 25944 825 1 2 . 1 1 45 45 TRP HA H 45 4.537 4.537 4.168 0.369 25944 826 1 2 . 1 1 45 45 TRP C C 45 178.515 178.515 179.031 -0.516 25944 827 1 2 . 1 1 45 45 TRP CA C 45 58.862 58.862 60.272 -1.410 25944 828 1 2 . 1 1 45 45 TRP CB C 45 28.572 28.572 28.663 -0.091 25944 829 1 2 . 1 1 45 45 TRP H H 45 10.044 10.044 7.847 2.197 25944 830 1 2 . 1 1 46 46 GLN N N 46 120.394 120.394 118.742 1.652 25944 831 1 2 . 1 1 46 46 GLN HA H 46 4.276 4.276 4.029 0.247 25944 832 1 2 . 1 1 46 46 GLN C C 46 180.992 180.992 178.266 2.726 25944 833 1 2 . 1 1 46 46 GLN CA C 46 59.809 59.809 59.070 0.739 25944 834 1 2 . 1 1 46 46 GLN CB C 46 26.732 26.732 28.401 -1.669 25944 835 1 2 . 1 1 46 46 GLN H H 46 8.652 8.652 8.465 0.187 25944 836 1 2 . 1 1 47 47 HIS N N 47 118.999 118.999 117.631 1.368 25944 837 1 2 . 1 1 47 47 HIS HA H 47 4.304 4.304 4.228 0.076 25944 838 1 2 . 1 1 47 47 HIS C C 47 175.745 175.745 175.987 -0.242 25944 839 1 2 . 1 1 47 47 HIS CA C 47 53.405 53.405 57.869 -4.464 25944 840 1 2 . 1 1 47 47 HIS CB C 47 28.839 28.839 29.552 -0.713 25944 841 1 2 . 1 1 47 47 HIS H H 47 8.640 8.640 7.756 0.884 25944 842 1 2 . 1 1 48 48 ASN N N 48 115.577 115.577 115.447 0.130 25944 843 1 2 . 1 1 48 48 ASN HA H 48 4.387 4.387 4.638 -0.251 25944 844 1 2 . 1 1 48 48 ASN C C 48 172.379 172.379 174.410 -2.031 25944 845 1 2 . 1 1 48 48 ASN CA C 48 53.783 53.783 53.074 0.709 25944 846 1 2 . 1 1 48 48 ASN CB C 48 38.582 38.582 38.808 -0.226 25944 847 1 2 . 1 1 48 48 ASN H H 48 7.851 7.851 7.671 0.180 25944 848 1 2 . 1 1 49 49 ARG N N 49 114.746 114.746 115.171 -0.425 25944 849 1 2 . 1 1 49 49 ARG HA H 49 3.837 3.837 4.032 -0.195 25944 850 1 2 . 1 1 49 49 ARG C C 49 175.105 175.105 175.657 -0.552 25944 851 1 2 . 1 1 49 49 ARG CA C 49 57.252 57.252 56.695 0.557 25944 852 1 2 . 1 1 49 49 ARG CB C 49 26.100 26.100 26.942 -0.842 25944 853 1 2 . 1 1 49 49 ARG H H 49 7.790 7.790 8.218 -0.428 25944 854 1 2 . 1 1 50 50 VAL N N 50 120.612 120.612 119.875 0.737 25944 855 1 2 . 1 1 50 50 VAL HA H 50 4.169 4.169 3.974 0.195 25944 856 1 2 . 1 1 50 50 VAL C C 50 178.261 178.261 175.927 2.334 25944 857 1 2 . 1 1 50 50 VAL CA C 50 63.272 63.272 64.020 -0.748 25944 858 1 2 . 1 1 50 50 VAL CB C 50 31.060 31.060 33.204 -2.144 25944 859 1 2 . 1 1 50 50 VAL H H 50 8.556 8.556 7.748 0.808 25944 860 1 2 . 1 1 51 51 THR N N 51 122.788 122.788 120.720 2.068 25944 861 1 2 . 1 1 51 51 THR HA H 51 4.761 4.761 4.640 0.121 25944 862 1 2 . 1 1 51 51 THR C C 51 176.097 176.097 175.293 0.804 25944 863 1 2 . 1 1 51 51 THR CA C 51 60.823 60.823 59.336 1.487 25944 864 1 2 . 1 1 51 51 THR CB C 51 71.497 71.497 70.522 0.975 25944 865 1 2 . 1 1 51 51 THR H H 51 8.706 8.706 8.174 0.532 25944 866 1 2 . 1 1 52 52 LEU N N 52 120.755 120.755 127.736 -6.981 25944 867 1 2 . 1 1 52 52 LEU HA H 52 3.996 3.996 3.989 0.007 25944 868 1 2 . 1 1 52 52 LEU C C 52 179.154 179.154 178.368 0.786 25944 869 1 2 . 1 1 52 52 LEU CA C 52 58.472 58.472 57.538 0.934 25944 870 1 2 . 1 1 52 52 LEU CB C 52 40.238 40.238 41.430 -1.192 25944 871 1 2 . 1 1 52 52 LEU H H 52 8.990 8.990 8.946 0.044 25944 872 1 2 . 1 1 53 53 ASP N N 53 117.391 117.391 116.466 0.925 25944 873 1 2 . 1 1 53 53 ASP HA H 53 4.547 4.547 4.310 0.237 25944 874 1 2 . 1 1 53 53 ASP C C 53 178.795 178.795 178.235 0.560 25944 875 1 2 . 1 1 53 53 ASP CA C 53 57.267 57.267 56.949 0.318 25944 876 1 2 . 1 1 53 53 ASP CB C 53 40.462 40.462 40.353 0.109 25944 877 1 2 . 1 1 53 53 ASP H H 53 8.204 8.204 7.914 0.290 25944 878 1 2 . 1 1 54 54 GLN N N 54 119.886 119.886 119.153 0.733 25944 879 1 2 . 1 1 54 54 GLN C C 54 179.913 179.913 177.835 2.078 25944 880 1 2 . 1 1 54 54 GLN CA C 54 59.022 59.022 58.389 0.633 25944 881 1 2 . 1 1 54 54 GLN CB C 54 29.100 29.100 29.221 -0.121 25944 882 1 2 . 1 1 54 54 GLN H H 54 7.761 7.761 7.605 0.156 25944 883 1 2 . 1 1 55 55 ILE N N 55 121.501 121.501 119.886 1.615 25944 884 1 2 . 1 1 55 55 ILE C C 55 177.425 177.425 178.097 -0.672 25944 885 1 2 . 1 1 55 55 ILE CA C 55 61.603 61.603 63.364 -1.761 25944 886 1 2 . 1 1 55 55 ILE CB C 55 33.900 33.900 36.350 -2.450 25944 887 1 2 . 1 1 55 55 ILE H H 55 7.864 7.864 7.496 0.368 25944 888 1 2 . 1 1 56 56 ASP N N 56 122.017 122.017 119.088 2.929 25944 889 1 2 . 1 1 56 56 ASP HA H 56 4.337 4.337 3.404 0.933 25944 890 1 2 . 1 1 56 56 ASP C C 56 177.692 177.692 177.950 -0.258 25944 891 1 2 . 1 1 56 56 ASP CA C 56 58.337 58.337 56.575 1.762 25944 892 1 2 . 1 1 56 56 ASP CB C 56 42.299 42.299 40.525 1.774 25944 893 1 2 . 1 1 56 56 ASP H H 56 8.840 8.840 8.472 0.368 25944 894 1 2 . 1 1 57 57 THR N N 57 114.652 114.652 115.706 -1.054 25944 895 1 2 . 1 1 57 57 THR HA H 57 4.239 4.239 4.143 0.096 25944 896 1 2 . 1 1 57 57 THR C C 57 176.138 176.138 175.806 0.332 25944 897 1 2 . 1 1 57 57 THR CA C 57 67.433 67.433 64.514 2.919 25944 898 1 2 . 1 1 57 57 THR CB C 57 68.636 68.636 68.905 -0.269 25944 899 1 2 . 1 1 57 57 THR H H 57 8.148 8.148 7.665 0.483 25944 900 1 2 . 1 1 58 58 PHE N N 58 124.453 124.453 124.007 0.446 25944 901 1 2 . 1 1 58 58 PHE HA H 58 4.598 4.598 4.297 0.301 25944 902 1 2 . 1 1 58 58 PHE C C 58 176.122 176.122 175.809 0.313 25944 903 1 2 . 1 1 58 58 PHE CA C 58 59.150 59.150 60.578 -1.428 25944 904 1 2 . 1 1 58 58 PHE CB C 58 38.571 38.571 38.955 -0.384 25944 905 1 2 . 1 1 58 58 PHE H H 58 7.650 7.650 7.633 0.017 25944 906 1 2 . 1 1 59 59 LEU N N 59 120.652 120.652 119.689 0.963 25944 907 1 2 . 1 1 59 59 LEU HA H 59 3.423 3.423 3.292 0.131 25944 908 1 2 . 1 1 59 59 LEU C C 59 179.603 179.603 178.540 1.063 25944 909 1 2 . 1 1 59 59 LEU CA C 59 57.710 57.710 57.923 -0.214 25944 910 1 2 . 1 1 59 59 LEU CB C 59 39.800 39.800 41.754 -1.954 25944 911 1 2 . 1 1 59 59 LEU H H 59 8.543 8.543 8.066 0.477 25944 912 1 2 . 1 1 60 60 LYS N N 60 119.870 119.870 118.542 1.328 25944 913 1 2 . 1 1 60 60 LYS HA H 60 3.563 3.563 3.783 -0.220 25944 914 1 2 . 1 1 60 60 LYS C C 60 178.258 178.258 179.036 -0.778 25944 915 1 2 . 1 1 60 60 LYS CA C 60 59.797 59.797 59.242 0.555 25944 916 1 2 . 1 1 60 60 LYS CB C 60 32.464 32.464 32.057 0.407 25944 917 1 2 . 1 1 60 60 LYS H H 60 8.105 8.105 7.242 0.863 25944 918 1 2 . 1 1 61 61 LEU N N 61 120.600 120.600 116.222 4.378 25944 919 1 2 . 1 1 61 61 LEU HA H 61 4.117 4.117 4.011 0.106 25944 920 1 2 . 1 1 61 61 LEU C C 61 178.029 178.029 177.111 0.918 25944 921 1 2 . 1 1 61 61 LEU CA C 61 56.880 56.880 57.190 -0.310 25944 922 1 2 . 1 1 61 61 LEU CB C 61 42.059 42.059 41.455 0.604 25944 923 1 2 . 1 1 61 61 LEU H H 61 7.496 7.496 7.366 0.130 25944 924 1 2 . 1 1 62 62 ALA N N 62 118.900 118.900 119.226 -0.326 25944 925 1 2 . 1 1 62 62 ALA HA H 62 3.901 3.901 4.187 -0.286 25944 926 1 2 . 1 1 62 62 ALA C C 62 178.505 178.505 177.688 0.817 25944 927 1 2 . 1 1 62 62 ALA CA C 62 54.603 54.603 52.704 1.899 25944 928 1 2 . 1 1 62 62 ALA CB C 62 19.400 19.400 19.208 0.192 25944 929 1 2 . 1 1 62 62 ALA H H 62 7.827 7.827 7.474 0.353 25944 930 1 2 . 1 1 63 63 SER N N 63 111.351 111.351 114.199 -2.848 25944 931 1 2 . 1 1 63 63 SER HA H 63 3.390 3.390 4.615 -1.225 25944 932 1 2 . 1 1 63 63 SER C C 63 170.257 170.257 173.546 -3.289 25944 933 1 2 . 1 1 63 63 SER CA C 63 59.687 59.687 57.424 2.263 25944 934 1 2 . 1 1 63 63 SER CB C 63 62.300 62.300 64.518 -2.218 25944 935 1 2 . 1 1 63 63 SER H H 63 7.839 7.839 7.664 0.175 25944 936 1 2 . 1 1 67 67 GLN N N 67 122.300 122.300 116.232 6.068 25944 937 1 2 . 1 1 67 67 GLN HA H 67 4.009 4.009 4.005 0.004 25944 938 1 2 . 1 1 67 67 GLN C C 67 176.000 176.000 176.338 -0.338 25944 939 1 2 . 1 1 67 67 GLN CA C 67 56.950 56.950 56.788 0.162 25944 940 1 2 . 1 1 67 67 GLN CB C 67 26.500 26.500 27.124 -0.624 25944 941 1 2 . 1 1 67 67 GLN H H 67 8.201 8.201 8.290 -0.089 25944 942 1 2 . 1 1 68 68 GLY N N 68 105.200 105.200 106.149 -0.949 25944 943 1 2 . 1 1 68 68 GLY C C 68 174.914 174.914 174.746 0.168 25944 944 1 2 . 1 1 68 68 GLY CA C 68 45.622 45.622 45.401 0.221 25944 945 1 2 . 1 1 68 68 GLY H H 68 8.512 8.512 8.163 0.349 25944 946 1 2 . 1 1 69 69 ALA N N 69 125.585 125.585 126.518 -0.933 25944 947 1 2 . 1 1 69 69 ALA HA H 69 4.020 4.020 4.171 -0.151 25944 948 1 2 . 1 1 69 69 ALA C C 69 180.176 180.176 179.455 0.721 25944 949 1 2 . 1 1 69 69 ALA CA C 69 55.000 55.000 54.246 0.754 25944 950 1 2 . 1 1 69 69 ALA CB C 69 18.200 18.200 19.072 -0.872 25944 951 1 2 . 1 1 69 69 ALA H H 69 8.046 8.046 8.490 -0.444 25944 952 1 2 . 1 1 70 70 LYS N N 70 116.500 116.500 118.279 -1.779 25944 953 1 2 . 1 1 70 70 LYS HA H 70 3.923 3.923 4.135 -0.212 25944 954 1 2 . 1 1 70 70 LYS C C 70 176.800 176.800 178.146 -1.346 25944 955 1 2 . 1 1 70 70 LYS CA C 70 58.530 58.530 57.978 0.552 25944 956 1 2 . 1 1 70 70 LYS H H 70 7.928 7.928 8.521 -0.593 25944 957 1 2 . 1 1 71 71 TYR N N 71 116.400 116.400 120.083 -3.683 25944 958 1 2 . 1 1 71 71 TYR HA H 71 5.173 5.173 4.237 0.936 25944 959 1 2 . 1 1 71 71 TYR C C 71 175.800 175.800 176.915 -1.115 25944 960 1 2 . 1 1 71 71 TYR CA C 71 55.810 55.810 60.729 -4.919 25944 961 1 2 . 1 1 71 71 TYR CB C 71 40.500 40.500 37.866 2.634 25944 962 1 2 . 1 1 71 71 TYR H H 71 7.465 7.465 8.015 -0.550 25944 963 1 2 . 1 1 72 72 ASN N N 72 120.200 120.200 115.956 4.244 25944 964 1 2 . 1 1 72 72 ASN HA H 72 4.421 4.421 4.100 0.321 25944 965 1 2 . 1 1 72 72 ASN C C 72 176.000 176.000 176.892 -0.892 25944 966 1 2 . 1 1 72 72 ASN CA C 72 56.600 56.600 54.417 2.183 25944 967 1 2 . 1 1 72 72 ASN CB C 72 38.690 38.690 38.291 0.399 25944 968 1 2 . 1 1 72 72 ASN H H 72 7.675 7.675 7.619 0.056 25944 969 1 2 . 1 1 73 73 GLN N N 73 119.800 119.800 120.333 -0.533 25944 970 1 2 . 1 1 73 73 GLN HA H 73 4.212 4.212 4.111 0.101 25944 971 1 2 . 1 1 73 73 GLN C C 73 178.600 178.600 177.774 0.826 25944 972 1 2 . 1 1 73 73 GLN CA C 73 59.610 59.610 59.072 0.538 25944 973 1 2 . 1 1 73 73 GLN CB C 73 29.460 29.460 28.686 0.773 25944 974 1 2 . 1 1 73 73 GLN H H 73 9.111 9.111 7.283 1.828 25944 975 1 2 . 1 1 74 74 ILE N N 74 119.200 119.200 115.414 3.786 25944 976 1 2 . 1 1 74 74 ILE HA H 74 4.409 4.409 3.960 0.449 25944 977 1 2 . 1 1 74 74 ILE C C 74 177.100 177.100 177.050 0.050 25944 978 1 2 . 1 1 74 74 ILE CA C 74 63.410 63.410 62.849 0.561 25944 979 1 2 . 1 1 74 74 ILE CB C 74 37.700 37.700 37.006 0.694 25944 980 1 2 . 1 1 74 74 ILE H H 74 7.944 7.944 7.497 0.447 25944 981 1 2 . 1 1 75 75 TYR N N 75 119.600 119.600 121.437 -1.837 25944 982 1 2 . 1 1 75 75 TYR HA H 75 3.891 3.891 4.376 -0.485 25944 983 1 2 . 1 1 75 75 TYR C C 75 176.800 176.800 176.540 0.260 25944 984 1 2 . 1 1 75 75 TYR CA C 75 62.650 62.650 60.500 2.150 25944 985 1 2 . 1 1 75 75 TYR CB C 75 38.950 38.950 39.222 -0.272 25944 986 1 2 . 1 1 75 75 TYR H H 75 6.718 6.718 7.654 -0.936 25944 987 1 2 . 1 1 76 76 ASN N N 76 115.900 115.900 118.704 -2.804 25944 988 1 2 . 1 1 76 76 ASN HA H 76 4.385 4.385 4.270 0.115 25944 989 1 2 . 1 1 76 76 ASN C C 76 178.600 178.600 177.056 1.544 25944 990 1 2 . 1 1 76 76 ASN CA C 76 56.310 56.310 56.540 -0.230 25944 991 1 2 . 1 1 76 76 ASN H H 76 8.901 8.901 7.991 0.910 25944 992 1 2 . 1 1 77 77 SER N N 77 117.000 117.000 116.920 0.080 25944 993 1 2 . 1 1 77 77 SER HA H 77 4.219 4.219 3.851 0.368 25944 994 1 2 . 1 1 77 77 SER C C 77 176.800 176.800 176.303 0.497 25944 995 1 2 . 1 1 77 77 SER CA C 77 62.600 62.600 61.066 1.534 25944 996 1 2 . 1 1 77 77 SER H H 77 8.512 8.512 7.688 0.824 25944 997 1 2 . 1 1 78 78 TYR N N 78 125.400 125.400 122.750 2.650 25944 998 1 2 . 1 1 78 78 TYR HA H 78 4.379 4.379 4.264 0.115 25944 999 1 2 . 1 1 78 78 TYR C C 78 176.600 176.600 177.186 -0.586 25944 1000 1 2 . 1 1 78 78 TYR CA C 78 59.800 59.800 61.788 -1.988 25944 1001 1 2 . 1 1 78 78 TYR CB C 78 37.200 37.200 38.180 -0.980 25944 1002 1 2 . 1 1 78 78 TYR H H 78 8.299 8.299 7.873 0.426 25944 1003 1 2 . 1 1 79 79 MET N N 79 118.400 118.400 117.569 0.831 25944 1004 1 2 . 1 1 79 79 MET HA H 79 3.421 3.421 3.921 -0.500 25944 1005 1 2 . 1 1 79 79 MET C C 79 178.400 178.400 178.493 -0.093 25944 1006 1 2 . 1 1 79 79 MET CA C 79 60.400 60.400 59.534 0.866 25944 1007 1 2 . 1 1 79 79 MET CB C 79 32.750 32.750 32.598 0.152 25944 1008 1 2 . 1 1 79 79 MET H H 79 8.264 8.264 7.723 0.541 25944 1009 1 2 . 1 1 80 80 MET N N 80 117.172 117.172 117.814 -0.642 25944 1010 1 2 . 1 1 80 80 MET HA H 80 4.136 4.136 4.164 -0.028 25944 1011 1 2 . 1 1 80 80 MET C C 80 179.418 179.418 177.515 1.903 25944 1012 1 2 . 1 1 80 80 MET CA C 80 58.419 58.419 58.474 -0.055 25944 1013 1 2 . 1 1 80 80 MET CB C 80 32.400 32.400 32.141 0.259 25944 1014 1 2 . 1 1 80 80 MET H H 80 7.907 7.907 8.246 -0.339 25944 1015 1 2 . 1 1 81 81 HIS N N 81 121.510 121.510 118.113 3.397 25944 1016 1 2 . 1 1 81 81 HIS HA H 81 4.123 4.123 4.340 -0.217 25944 1017 1 2 . 1 1 81 81 HIS C C 81 177.339 177.339 177.843 -0.504 25944 1018 1 2 . 1 1 81 81 HIS CA C 81 60.130 60.130 59.093 1.037 25944 1019 1 2 . 1 1 81 81 HIS CB C 81 29.556 29.556 30.296 -0.740 25944 1020 1 2 . 1 1 81 81 HIS H H 81 8.115 8.115 7.736 0.379 25944 1021 1 2 . 1 1 82 82 LEU N N 82 117.015 117.015 118.002 -0.987 25944 1022 1 2 . 1 1 82 82 LEU HA H 82 3.856 3.856 4.116 -0.260 25944 1023 1 2 . 1 1 82 82 LEU C C 82 178.330 178.330 177.920 0.410 25944 1024 1 2 . 1 1 82 82 LEU CA C 82 56.000 56.000 55.827 0.173 25944 1025 1 2 . 1 1 82 82 LEU CB C 82 42.503 42.503 41.880 0.623 25944 1026 1 2 . 1 1 82 82 LEU H H 82 7.979 7.979 7.970 0.009 25944 1027 1 2 . 1 1 83 83 GLY N N 83 106.661 106.661 107.500 -0.839 25944 1028 1 2 . 1 1 83 83 GLY C C 83 174.964 174.964 174.963 0.001 25944 1029 1 2 . 1 1 83 83 GLY CA C 83 45.799 45.799 45.807 -0.008 25944 1030 1 2 . 1 1 83 83 GLY H H 83 7.755 7.755 8.021 -0.266 25944 1031 1 2 . 1 1 84 84 LEU N N 84 120.273 120.273 115.269 5.004 25944 1032 1 2 . 1 1 84 84 LEU HA H 84 4.399 4.399 4.859 -0.460 25944 1033 1 2 . 1 1 84 84 LEU C C 84 177.302 177.302 177.025 0.277 25944 1034 1 2 . 1 1 84 84 LEU CA C 84 55.048 55.048 53.262 1.786 25944 1035 1 2 . 1 1 84 84 LEU CB C 84 42.662 42.662 41.607 1.055 25944 1036 1 2 . 1 1 84 84 LEU H H 84 7.568 7.568 7.527 0.041 25944 1037 1 2 . 1 1 85 85 THR N N 85 111.602 111.602 115.960 -4.358 25944 1038 1 2 . 1 1 85 85 THR HA H 85 4.291 4.291 4.506 -0.215 25944 1039 1 2 . 1 1 85 85 THR C C 85 175.115 175.115 175.640 -0.525 25944 1040 1 2 . 1 1 85 85 THR CA C 85 62.122 62.122 64.010 -1.888 25944 1041 1 2 . 1 1 85 85 THR CB C 85 69.882 69.882 69.674 0.208 25944 1042 1 2 . 1 1 85 85 THR H H 85 8.005 8.005 7.857 0.148 25944 1043 1 2 . 1 1 86 86 GLY N N 86 110.816 110.816 112.859 -2.043 25944 1044 1 2 . 1 1 86 86 GLY C C 86 173.491 173.491 173.670 -0.179 25944 1045 1 2 . 1 1 86 86 GLY CA C 86 45.335 45.335 44.763 0.572 25944 1046 1 2 . 1 1 86 86 GLY H H 86 8.246 8.246 8.732 -0.486 25944 1047 1 2 . 1 1 87 87 TYR N N 87 119.845 119.845 119.275 0.570 25944 1048 1 2 . 1 1 87 87 TYR HA H 87 4.505 4.505 4.703 -0.198 25944 1049 1 2 . 1 1 87 87 TYR C C 87 175.166 175.166 175.543 -0.377 25944 1050 1 2 . 1 1 87 87 TYR CA C 87 58.010 58.010 56.362 1.648 25944 1051 1 2 . 1 1 87 87 TYR CB C 87 39.058 39.058 39.913 -0.855 25944 1052 1 2 . 1 1 87 87 TYR H H 87 7.935 7.935 7.788 0.147 25944 1053 1 2 . 1 1 88 88 GLU N N 88 125.299 125.299 121.197 4.102 25944 1054 1 2 . 1 1 88 88 GLU HA H 88 4.517 4.517 4.226 0.291 25944 1055 1 2 . 1 1 88 88 GLU C C 88 174.024 174.024 174.631 -0.607 25944 1056 1 2 . 1 1 88 88 GLU CA C 88 53.851 53.851 55.786 -1.935 25944 1057 1 2 . 1 1 88 88 GLU CB C 88 30.050 30.050 29.886 0.164 25944 1058 1 2 . 1 1 88 88 GLU H H 88 8.205 8.205 8.786 -0.581 25944 1059 1 2 . 1 1 89 89 PRO HA H 89 4.302 4.302 4.482 -0.180 25944 1060 1 2 . 1 1 89 89 PRO C C 89 176.800 176.800 176.645 0.155 25944 1061 1 2 . 1 1 89 89 PRO CA C 89 63.237 63.237 62.464 0.773 25944 1062 1 2 . 1 1 89 89 PRO CB C 89 32.100 32.100 32.395 -0.295 25944 1063 1 2 . 1 1 90 90 ASN N N 90 118.411 118.411 118.687 -0.276 25944 1064 1 2 . 1 1 90 90 ASN HA H 90 4.658 4.658 4.560 0.098 25944 1065 1 2 . 1 1 90 90 ASN C C 90 175.462 175.462 174.602 0.860 25944 1066 1 2 . 1 1 90 90 ASN CA C 90 53.497 53.497 54.685 -1.188 25944 1067 1 2 . 1 1 90 90 ASN CB C 90 38.809 38.809 38.551 0.258 25944 1068 1 2 . 1 1 90 90 ASN H H 90 8.649 8.649 8.576 0.073 25944 1069 1 2 . 1 1 91 91 SER N N 91 116.049 116.049 116.726 -0.677 25944 1070 1 2 . 1 1 91 91 SER HA H 91 4.396 4.396 4.534 -0.138 25944 1071 1 2 . 1 1 91 91 SER C C 91 174.844 174.844 172.912 1.932 25944 1072 1 2 . 1 1 91 91 SER CA C 91 58.769 58.769 57.313 1.456 25944 1073 1 2 . 1 1 91 91 SER CB C 91 63.927 63.927 65.050 -1.123 25944 1074 1 2 . 1 1 91 91 SER H H 91 8.255 8.255 7.969 0.286 25944 1075 1 2 . 1 1 92 92 SER N N 92 117.736 117.736 116.301 1.435 25944 1076 1 2 . 1 1 92 92 SER HA H 92 4.414 4.414 4.919 -0.505 25944 1077 1 2 . 1 1 92 92 SER C C 92 174.749 174.749 174.015 0.734 25944 1078 1 2 . 1 1 92 92 SER CA C 92 58.651 58.651 58.591 0.060 25944 1079 1 2 . 1 1 92 92 SER CB C 92 63.952 63.952 63.589 0.363 25944 1080 1 2 . 1 1 92 92 SER H H 92 8.399 8.399 8.449 -0.050 25944 1081 1 2 . 1 1 93 93 SER N N 93 117.731 117.731 116.730 1.001 25944 1082 1 2 . 1 1 93 93 SER HA H 93 4.437 4.437 4.549 -0.112 25944 1083 1 2 . 1 1 93 93 SER C C 93 174.918 174.918 172.694 2.224 25944 1084 1 2 . 1 1 93 93 SER CA C 93 58.696 58.696 57.907 0.789 25944 1085 1 2 . 1 1 93 93 SER CB C 93 63.822 63.822 63.826 -0.004 25944 1086 1 2 . 1 1 93 93 SER H H 93 8.308 8.308 8.273 0.035 25944 1087 1 2 . 1 1 94 94 VAL N N 94 121.028 121.028 120.056 0.972 25944 1088 1 2 . 1 1 94 94 VAL HA H 94 4.020 4.020 4.487 -0.467 25944 1089 1 2 . 1 1 94 94 VAL C C 94 176.301 176.301 174.869 1.432 25944 1090 1 2 . 1 1 94 94 VAL CA C 94 63.176 63.176 61.337 1.839 25944 1091 1 2 . 1 1 94 94 VAL CB C 94 32.797 32.797 33.467 -0.670 25944 1092 1 2 . 1 1 94 94 VAL H H 94 8.026 8.026 8.262 -0.236 25944 1093 1 2 . 1 1 95 95 ASP N N 95 122.997 122.997 122.354 0.643 25944 1094 1 2 . 1 1 95 95 ASP HA H 95 4.537 4.537 4.565 -0.028 25944 1095 1 2 . 1 1 95 95 ASP C C 95 176.937 176.937 177.349 -0.412 25944 1096 1 2 . 1 1 95 95 ASP CA C 95 54.806 54.806 54.666 0.140 25944 1097 1 2 . 1 1 95 95 ASP CB C 95 41.014 41.014 41.351 -0.337 25944 1098 1 2 . 1 1 95 95 ASP H H 95 8.274 8.274 8.611 -0.337 25944 1099 1 2 . 1 1 96 96 LYS N N 96 121.796 121.796 121.672 0.124 25944 1100 1 2 . 1 1 96 96 LYS HA H 96 4.163 4.163 4.096 0.067 25944 1101 1 2 . 1 1 96 96 LYS C C 96 177.534 177.534 177.710 -0.176 25944 1102 1 2 . 1 1 96 96 LYS CA C 96 57.500 57.500 58.549 -1.049 25944 1103 1 2 . 1 1 96 96 LYS CB C 96 32.171 32.171 32.399 -0.228 25944 1104 1 2 . 1 1 96 96 LYS H H 96 8.159 8.159 8.276 -0.117 25944 1105 1 2 . 1 1 97 97 LEU N N 97 121.703 121.703 118.295 3.408 25944 1106 1 2 . 1 1 97 97 LEU HA H 97 4.216 4.216 4.167 0.049 25944 1107 1 2 . 1 1 97 97 LEU C C 97 177.892 177.892 178.413 -0.521 25944 1108 1 2 . 1 1 97 97 LEU CA C 97 56.024 56.024 56.602 -0.578 25944 1109 1 2 . 1 1 97 97 LEU CB C 97 41.755 41.755 41.597 0.158 25944 1110 1 2 . 1 1 97 97 LEU H H 97 8.097 8.097 7.727 0.370 25944 1111 1 2 . 1 1 98 98 ALA N N 98 123.261 123.261 121.791 1.470 25944 1112 1 2 . 1 1 98 98 ALA HA H 98 4.158 4.158 4.154 0.004 25944 1113 1 2 . 1 1 98 98 ALA C C 98 178.590 178.590 177.940 0.650 25944 1114 1 2 . 1 1 98 98 ALA CA C 98 53.201 53.201 53.778 -0.577 25944 1115 1 2 . 1 1 98 98 ALA CB C 98 18.643 18.643 18.679 -0.036 25944 1116 1 2 . 1 1 98 98 ALA H H 98 7.998 7.998 7.964 0.034 25944 1117 1 2 . 1 1 99 99 ALA N N 99 121.686 121.686 121.622 0.064 25944 1118 1 2 . 1 1 99 99 ALA HA H 99 4.173 4.173 4.393 -0.220 25944 1119 1 2 . 1 1 99 99 ALA C C 99 178.303 178.303 176.257 2.046 25944 1120 1 2 . 1 1 99 99 ALA CA C 99 53.182 53.182 51.325 1.857 25944 1121 1 2 . 1 1 99 99 ALA CB C 99 18.638 18.638 17.689 0.950 25944 1122 1 2 . 1 1 99 99 ALA H H 99 8.009 8.009 7.536 0.473 25944 1123 1 2 . 1 1 100 100 ALA N N 100 121.570 121.570 126.472 -4.902 25944 1124 1 2 . 1 1 100 100 ALA HA H 100 4.218 4.218 4.527 -0.309 25944 1125 1 2 . 1 1 100 100 ALA C C 100 178.276 178.276 176.618 1.658 25944 1126 1 2 . 1 1 100 100 ALA CA C 100 52.889 52.889 51.746 1.143 25944 1127 1 2 . 1 1 100 100 ALA CB C 100 18.756 18.756 19.735 -0.979 25944 1128 1 2 . 1 1 100 100 ALA H H 100 7.950 7.950 7.817 0.133 25944 1129 1 2 . 1 1 101 101 LEU N N 101 120.160 120.160 123.859 -3.699 25944 1130 1 2 . 1 1 101 101 LEU HA H 101 4.223 4.223 4.617 -0.394 25944 1131 1 2 . 1 1 101 101 LEU C C 101 177.673 177.673 176.695 0.978 25944 1132 1 2 . 1 1 101 101 LEU CA C 101 55.529 55.529 55.176 0.353 25944 1133 1 2 . 1 1 101 101 LEU CB C 101 42.213 42.213 43.430 -1.217 25944 1134 1 2 . 1 1 101 101 LEU H H 101 7.931 7.931 8.484 -0.553 25944 1135 1 3 . 1 1 2 2 ASN N N 2 118.138 118.138 118.562 -0.424 25944 1136 1 3 . 1 1 2 2 ASN HA H 2 4.638 4.638 4.332 0.306 25944 1137 1 3 . 1 1 2 2 ASN C C 2 174.541 174.541 175.139 -0.598 25944 1138 1 3 . 1 1 2 2 ASN CA C 2 53.194 53.194 53.040 0.154 25944 1139 1 3 . 1 1 2 2 ASN CB C 2 39.191 39.191 38.455 0.736 25944 1140 1 3 . 1 1 2 2 ASN H H 2 8.331 8.331 8.390 -0.059 25944 1141 1 3 . 1 1 3 3 PHE N N 3 121.233 121.233 114.865 6.368 25944 1142 1 3 . 1 1 3 3 PHE HA H 3 4.418 4.418 4.414 0.004 25944 1143 1 3 . 1 1 3 3 PHE C C 3 174.939 174.939 176.254 -1.315 25944 1144 1 3 . 1 1 3 3 PHE CA C 3 57.817 57.817 58.273 -0.456 25944 1145 1 3 . 1 1 3 3 PHE CB C 3 39.377 39.377 38.399 0.978 25944 1146 1 3 . 1 1 3 3 PHE H H 3 8.358 8.358 8.044 0.314 25944 1147 1 3 . 1 1 4 4 ASN N N 4 121.091 121.091 118.693 2.398 25944 1148 1 3 . 1 1 4 4 ASN HA H 4 4.614 4.614 4.611 0.003 25944 1149 1 3 . 1 1 4 4 ASN C C 4 175.107 175.107 175.046 0.061 25944 1150 1 3 . 1 1 4 4 ASN CA C 4 52.869 52.869 52.963 -0.094 25944 1151 1 3 . 1 1 4 4 ASN CB C 4 38.853 38.853 39.339 -0.486 25944 1152 1 3 . 1 1 4 4 ASN H H 4 8.333 8.333 7.451 0.882 25944 1153 1 3 . 1 1 5 5 LEU N N 5 123.882 123.882 122.781 1.101 25944 1154 1 3 . 1 1 5 5 LEU HA H 5 4.597 4.597 4.552 0.045 25944 1155 1 3 . 1 1 5 5 LEU C C 5 177.372 177.372 176.249 1.123 25944 1156 1 3 . 1 1 5 5 LEU CA C 5 56.030 56.030 54.978 1.052 25944 1157 1 3 . 1 1 5 5 LEU CB C 5 41.775 41.775 42.726 -0.951 25944 1158 1 3 . 1 1 5 5 LEU H H 5 8.259 8.259 8.243 0.016 25944 1159 1 3 . 1 1 6 6 ALA N N 6 122.630 122.630 121.950 0.680 25944 1160 1 3 . 1 1 6 6 ALA HA H 6 4.213 4.213 4.239 -0.026 25944 1161 1 3 . 1 1 6 6 ALA C C 6 178.088 178.088 177.762 0.326 25944 1162 1 3 . 1 1 6 6 ALA CA C 6 53.201 53.201 52.170 1.031 25944 1163 1 3 . 1 1 6 6 ALA CB C 6 18.533 18.533 19.390 -0.856 25944 1164 1 3 . 1 1 6 6 ALA H H 6 8.132 8.132 7.531 0.601 25944 1165 1 3 . 1 1 7 7 SER N N 7 113.309 113.309 114.986 -1.677 25944 1166 1 3 . 1 1 7 7 SER HA H 7 4.333 4.333 4.257 0.076 25944 1167 1 3 . 1 1 7 7 SER C C 7 174.347 174.347 174.602 -0.255 25944 1168 1 3 . 1 1 7 7 SER CA C 7 58.244 58.244 59.575 -1.331 25944 1169 1 3 . 1 1 7 7 SER CB C 7 63.655 63.655 63.274 0.381 25944 1170 1 3 . 1 1 7 7 SER H H 7 7.866 7.866 8.411 -0.545 25944 1171 1 3 . 1 1 8 8 LEU N N 8 123.236 123.236 121.499 1.737 25944 1172 1 3 . 1 1 8 8 LEU HA H 8 4.156 4.156 4.595 -0.439 25944 1173 1 3 . 1 1 8 8 LEU C C 8 176.617 176.617 176.268 0.349 25944 1174 1 3 . 1 1 8 8 LEU CA C 8 55.368 55.368 54.547 0.821 25944 1175 1 3 . 1 1 8 8 LEU CB C 8 42.800 42.800 43.273 -0.473 25944 1176 1 3 . 1 1 8 8 LEU H H 8 7.786 7.786 8.079 -0.293 25944 1177 1 3 . 1 1 9 9 ASN N N 9 120.087 120.087 119.963 0.124 25944 1178 1 3 . 1 1 9 9 ASN HA H 9 4.502 4.502 4.953 -0.451 25944 1179 1 3 . 1 1 9 9 ASN C C 9 175.557 175.557 174.594 0.963 25944 1180 1 3 . 1 1 9 9 ASN CA C 9 52.922 52.922 52.968 -0.046 25944 1181 1 3 . 1 1 9 9 ASN CB C 9 38.529 38.529 38.141 0.388 25944 1182 1 3 . 1 1 9 9 ASN H H 9 8.127 8.127 8.648 -0.521 25944 1183 1 3 . 1 1 10 10 GLU N N 10 121.943 121.943 116.884 5.059 25944 1184 1 3 . 1 1 10 10 GLU HA H 10 3.419 3.419 4.731 -1.312 25944 1185 1 3 . 1 1 10 10 GLU C C 10 176.176 176.176 176.019 0.157 25944 1186 1 3 . 1 1 10 10 GLU CA C 10 58.261 58.261 56.617 1.644 25944 1187 1 3 . 1 1 10 10 GLU CB C 10 29.371 29.371 29.697 -0.326 25944 1188 1 3 . 1 1 10 10 GLU H H 10 8.479 8.479 8.320 0.159 25944 1189 1 3 . 1 1 11 11 GLU N N 11 117.932 117.932 119.432 -1.500 25944 1190 1 3 . 1 1 11 11 GLU HA H 11 3.893 3.893 4.294 -0.401 25944 1191 1 3 . 1 1 11 11 GLU C C 11 178.292 178.292 175.501 2.791 25944 1192 1 3 . 1 1 11 11 GLU CA C 11 57.418 57.418 56.172 1.246 25944 1193 1 3 . 1 1 11 11 GLU CB C 11 28.967 28.967 29.255 -0.287 25944 1194 1 3 . 1 1 11 11 GLU H H 11 7.876 7.876 8.130 -0.254 25944 1195 1 3 . 1 1 12 12 MET N N 12 118.969 118.969 116.689 2.280 25944 1196 1 3 . 1 1 12 12 MET HA H 12 3.810 3.810 3.952 -0.142 25944 1197 1 3 . 1 1 12 12 MET C C 12 175.419 175.419 175.544 -0.125 25944 1198 1 3 . 1 1 12 12 MET CA C 12 57.481 57.481 56.062 1.419 25944 1199 1 3 . 1 1 12 12 MET CB C 12 32.160 32.160 32.276 -0.116 25944 1200 1 3 . 1 1 12 12 MET H H 12 7.524 7.524 7.601 -0.077 25944 1201 1 3 . 1 1 13 13 PHE N N 13 113.294 113.294 114.272 -0.978 25944 1202 1 3 . 1 1 13 13 PHE HA H 13 4.463 4.463 4.478 -0.015 25944 1203 1 3 . 1 1 13 13 PHE C C 13 176.009 176.009 174.842 1.167 25944 1204 1 3 . 1 1 13 13 PHE CA C 13 54.932 54.932 57.415 -2.483 25944 1205 1 3 . 1 1 13 13 PHE CB C 13 37.856 37.856 39.389 -1.533 25944 1206 1 3 . 1 1 13 13 PHE H H 13 6.975 6.975 6.924 0.051 25944 1207 1 3 . 1 1 14 14 ASN N N 14 116.706 116.706 118.626 -1.920 25944 1208 1 3 . 1 1 14 14 ASN HA H 14 4.778 4.778 4.877 -0.099 25944 1209 1 3 . 1 1 14 14 ASN C C 14 176.202 176.202 176.205 -0.003 25944 1210 1 3 . 1 1 14 14 ASN CA C 14 52.333 52.333 53.582 -1.249 25944 1211 1 3 . 1 1 14 14 ASN CB C 14 36.421 36.421 37.927 -1.506 25944 1212 1 3 . 1 1 14 14 ASN H H 14 7.211 7.211 8.163 -0.952 25944 1213 1 3 . 1 1 15 15 VAL N N 15 121.352 121.352 118.169 3.183 25944 1214 1 3 . 1 1 15 15 VAL HA H 15 3.642 3.642 3.475 0.167 25944 1215 1 3 . 1 1 15 15 VAL C C 15 177.523 177.523 176.175 1.348 25944 1216 1 3 . 1 1 15 15 VAL CA C 15 63.407 63.407 65.124 -1.717 25944 1217 1 3 . 1 1 15 15 VAL CB C 15 31.120 31.120 31.330 -0.210 25944 1218 1 3 . 1 1 15 15 VAL H H 15 7.971 7.971 9.050 -1.079 25944 1219 1 3 . 1 1 16 16 ALA N N 16 124.345 124.345 118.324 6.021 25944 1220 1 3 . 1 1 16 16 ALA HA H 16 4.170 4.170 4.436 -0.266 25944 1221 1 3 . 1 1 16 16 ALA C C 16 178.288 178.288 177.453 0.835 25944 1222 1 3 . 1 1 16 16 ALA CA C 16 54.170 54.170 53.296 0.874 25944 1223 1 3 . 1 1 16 16 ALA CB C 16 17.945 17.945 19.050 -1.105 25944 1224 1 3 . 1 1 16 16 ALA H H 16 8.414 8.414 8.194 0.220 25944 1225 1 3 . 1 1 17 17 ALA N N 17 116.960 116.960 120.237 -3.277 25944 1226 1 3 . 1 1 17 17 ALA HA H 17 4.309 4.309 4.613 -0.304 25944 1227 1 3 . 1 1 17 17 ALA C C 17 177.660 177.660 177.222 0.438 25944 1228 1 3 . 1 1 17 17 ALA CA C 17 51.666 51.666 51.904 -0.238 25944 1229 1 3 . 1 1 17 17 ALA CB C 17 19.331 19.331 20.530 -1.199 25944 1230 1 3 . 1 1 17 17 ALA H H 17 7.099 7.099 7.936 -0.837 25944 1231 1 3 . 1 1 18 18 LEU N N 18 119.640 119.640 119.037 0.603 25944 1232 1 3 . 1 1 18 18 LEU HA H 18 4.479 4.479 4.695 -0.216 25944 1233 1 3 . 1 1 18 18 LEU C C 18 176.424 176.424 175.587 0.837 25944 1234 1 3 . 1 1 18 18 LEU CA C 18 54.960 54.960 55.085 -0.125 25944 1235 1 3 . 1 1 18 18 LEU CB C 18 42.000 42.000 42.827 -0.827 25944 1236 1 3 . 1 1 18 18 LEU H H 18 7.256 7.256 7.870 -0.614 25944 1237 1 3 . 1 1 19 19 THR N N 19 110.240 110.240 115.935 -5.695 25944 1238 1 3 . 1 1 19 19 THR HA H 19 4.389 4.389 4.563 -0.174 25944 1239 1 3 . 1 1 19 19 THR C C 19 174.905 174.905 173.912 0.993 25944 1240 1 3 . 1 1 19 19 THR CA C 19 61.970 61.970 61.684 0.287 25944 1241 1 3 . 1 1 19 19 THR CB C 19 70.500 70.500 70.401 0.099 25944 1242 1 3 . 1 1 19 19 THR H H 19 8.319 8.319 8.342 -0.023 25944 1243 1 3 . 1 1 20 20 LYS N N 20 121.645 121.645 124.541 -2.896 25944 1244 1 3 . 1 1 20 20 LYS HA H 20 4.724 4.724 4.386 0.338 25944 1245 1 3 . 1 1 20 20 LYS C C 20 177.100 177.100 175.042 2.058 25944 1246 1 3 . 1 1 20 20 LYS CA C 20 54.890 54.890 55.965 -1.075 25944 1247 1 3 . 1 1 20 20 LYS CB C 20 33.700 33.700 34.189 -0.489 25944 1248 1 3 . 1 1 20 20 LYS H H 20 7.854 7.854 8.262 -0.408 25944 1249 1 3 . 1 1 21 21 ARG N N 21 126.200 126.200 120.858 5.342 25944 1250 1 3 . 1 1 21 21 ARG HA H 21 3.831 3.831 4.075 -0.244 25944 1251 1 3 . 1 1 21 21 ARG C C 21 178.431 178.431 178.026 0.405 25944 1252 1 3 . 1 1 21 21 ARG CA C 21 60.280 60.280 58.792 1.488 25944 1253 1 3 . 1 1 21 21 ARG CB C 21 30.600 30.600 30.556 0.044 25944 1254 1 3 . 1 1 21 21 ARG H H 21 9.171 9.171 8.553 0.618 25944 1255 1 3 . 1 1 22 22 ALA N N 22 118.555 118.555 122.345 -3.790 25944 1256 1 3 . 1 1 22 22 ALA HA H 22 4.053 4.053 4.146 -0.093 25944 1257 1 3 . 1 1 22 22 ALA C C 22 180.573 180.573 178.900 1.673 25944 1258 1 3 . 1 1 22 22 ALA CA C 22 55.480 55.480 54.600 0.880 25944 1259 1 3 . 1 1 22 22 ALA CB C 22 18.700 18.700 18.148 0.552 25944 1260 1 3 . 1 1 22 22 ALA H H 22 8.982 8.982 8.257 0.725 25944 1261 1 3 . 1 1 23 23 ASP N N 23 116.363 116.363 119.358 -2.995 25944 1262 1 3 . 1 1 23 23 ASP HA H 23 4.455 4.455 4.366 0.089 25944 1263 1 3 . 1 1 23 23 ASP C C 23 178.418 178.418 178.226 0.192 25944 1264 1 3 . 1 1 23 23 ASP CA C 23 56.697 56.697 58.089 -1.392 25944 1265 1 3 . 1 1 23 23 ASP CB C 23 41.260 41.260 40.541 0.719 25944 1266 1 3 . 1 1 23 23 ASP H H 23 6.880 6.880 8.632 -1.752 25944 1267 1 3 . 1 1 24 24 ALA N N 24 124.072 124.072 119.900 4.172 25944 1268 1 3 . 1 1 24 24 ALA HA H 24 4.307 4.307 4.388 -0.081 25944 1269 1 3 . 1 1 24 24 ALA C C 24 178.301 178.301 179.473 -1.172 25944 1270 1 3 . 1 1 24 24 ALA CA C 24 55.376 55.376 54.964 0.412 25944 1271 1 3 . 1 1 24 24 ALA CB C 24 17.900 17.900 18.399 -0.499 25944 1272 1 3 . 1 1 24 24 ALA H H 24 7.882 7.882 7.982 -0.100 25944 1273 1 3 . 1 1 25 25 LYS N N 25 118.064 118.064 118.112 -0.048 25944 1274 1 3 . 1 1 25 25 LYS HA H 25 3.748 3.748 3.988 -0.240 25944 1275 1 3 . 1 1 25 25 LYS C C 25 177.149 177.149 178.494 -1.345 25944 1276 1 3 . 1 1 25 25 LYS CA C 25 60.613 60.613 58.597 2.016 25944 1277 1 3 . 1 1 25 25 LYS CB C 25 32.433 32.433 32.233 0.200 25944 1278 1 3 . 1 1 25 25 LYS H H 25 8.799 8.799 7.635 1.164 25944 1279 1 3 . 1 1 26 26 LYS N N 26 116.995 116.995 120.434 -3.439 25944 1280 1 3 . 1 1 26 26 LYS HA H 26 3.919 3.919 4.171 -0.252 25944 1281 1 3 . 1 1 26 26 LYS C C 26 179.262 179.262 178.892 0.370 25944 1282 1 3 . 1 1 26 26 LYS CA C 26 59.980 59.980 58.619 1.361 25944 1283 1 3 . 1 1 26 26 LYS CB C 26 32.370 32.370 32.247 0.123 25944 1284 1 3 . 1 1 26 26 LYS H H 26 7.507 7.507 7.894 -0.387 25944 1285 1 3 . 1 1 27 27 LEU N N 27 118.319 118.319 120.102 -1.783 25944 1286 1 3 . 1 1 27 27 LEU HA H 27 4.387 4.387 4.083 0.304 25944 1287 1 3 . 1 1 27 27 LEU C C 27 178.187 178.187 178.971 -0.784 25944 1288 1 3 . 1 1 27 27 LEU CA C 27 57.928 57.928 58.560 -0.632 25944 1289 1 3 . 1 1 27 27 LEU CB C 27 40.941 40.941 42.348 -1.407 25944 1290 1 3 . 1 1 27 27 LEU H H 27 7.359 7.359 8.157 -0.798 25944 1291 1 3 . 1 1 28 28 ALA N N 28 121.257 121.257 119.817 1.440 25944 1292 1 3 . 1 1 28 28 ALA HA H 28 3.677 3.677 4.289 -0.612 25944 1293 1 3 . 1 1 28 28 ALA C C 28 179.000 179.000 178.956 0.044 25944 1294 1 3 . 1 1 28 28 ALA CA C 28 56.364 56.364 54.816 1.548 25944 1295 1 3 . 1 1 28 28 ALA CB C 28 16.138 16.138 17.732 -1.594 25944 1296 1 3 . 1 1 28 28 ALA H H 28 8.571 8.571 7.870 0.701 25944 1297 1 3 . 1 1 29 29 LYS N N 29 114.495 114.495 119.485 -4.990 25944 1298 1 3 . 1 1 29 29 LYS HA H 29 3.834 3.834 3.967 -0.133 25944 1299 1 3 . 1 1 29 29 LYS C C 29 180.597 180.597 179.426 1.171 25944 1300 1 3 . 1 1 29 29 LYS CA C 29 60.073 60.073 59.525 0.548 25944 1301 1 3 . 1 1 29 29 LYS CB C 29 32.334 32.334 32.167 0.167 25944 1302 1 3 . 1 1 29 29 LYS H H 29 8.312 8.312 7.646 0.666 25944 1303 1 3 . 1 1 30 30 GLN N N 30 119.983 119.983 118.239 1.744 25944 1304 1 3 . 1 1 30 30 GLN HA H 30 4.120 4.120 4.160 -0.040 25944 1305 1 3 . 1 1 30 30 GLN C C 30 179.114 179.114 178.184 0.930 25944 1306 1 3 . 1 1 30 30 GLN CA C 30 59.063 59.063 58.539 0.524 25944 1307 1 3 . 1 1 30 30 GLN CB C 30 29.010 29.010 28.251 0.759 25944 1308 1 3 . 1 1 30 30 GLN H H 30 7.793 7.793 7.726 0.067 25944 1309 1 3 . 1 1 31 31 LEU N N 31 117.633 117.633 119.966 -2.333 25944 1310 1 3 . 1 1 31 31 LEU HA H 31 3.927 3.927 4.287 -0.360 25944 1311 1 3 . 1 1 31 31 LEU C C 31 178.747 178.747 178.151 0.596 25944 1312 1 3 . 1 1 31 31 LEU CA C 31 57.608 57.608 57.025 0.583 25944 1313 1 3 . 1 1 31 31 LEU CB C 31 41.099 41.099 42.296 -1.197 25944 1314 1 3 . 1 1 31 31 LEU H H 31 8.348 8.348 7.394 0.954 25944 1315 1 3 . 1 1 32 32 MET N N 32 115.087 115.087 114.564 0.523 25944 1316 1 3 . 1 1 32 32 MET HA H 32 4.291 4.291 4.567 -0.276 25944 1317 1 3 . 1 1 32 32 MET C C 32 178.337 178.337 176.869 1.468 25944 1318 1 3 . 1 1 32 32 MET CA C 32 56.190 56.190 56.149 0.041 25944 1319 1 3 . 1 1 32 32 MET CB C 32 33.237 33.237 33.118 0.119 25944 1320 1 3 . 1 1 32 32 MET H H 32 8.083 8.083 7.949 0.134 25944 1321 1 3 . 1 1 33 33 GLY N N 33 102.979 102.979 108.594 -5.615 25944 1322 1 3 . 1 1 33 33 GLY C C 33 173.716 173.716 174.334 -0.618 25944 1323 1 3 . 1 1 33 33 GLY CA C 33 45.341 45.341 45.108 0.233 25944 1324 1 3 . 1 1 33 33 GLY H H 33 7.514 7.514 7.805 -0.291 25944 1325 1 3 . 1 1 34 34 ASN N N 34 117.931 117.931 122.823 -4.892 25944 1326 1 3 . 1 1 34 34 ASN HA H 34 4.911 4.911 4.746 0.165 25944 1327 1 3 . 1 1 34 34 ASN C C 34 173.721 173.721 175.866 -2.145 25944 1328 1 3 . 1 1 34 34 ASN CA C 34 52.465 52.465 53.896 -1.431 25944 1329 1 3 . 1 1 34 34 ASN CB C 34 39.303 39.303 38.719 0.584 25944 1330 1 3 . 1 1 34 34 ASN H H 34 7.176 7.176 8.390 -1.214 25944 1331 1 3 . 1 1 35 35 ASP N N 35 125.367 125.367 126.143 -0.776 25944 1332 1 3 . 1 1 35 35 ASP HA H 35 4.396 4.396 4.323 0.073 25944 1333 1 3 . 1 1 35 35 ASP C C 35 177.810 177.810 177.565 0.245 25944 1334 1 3 . 1 1 35 35 ASP CA C 35 57.193 57.193 57.541 -0.348 25944 1335 1 3 . 1 1 35 35 ASP CB C 35 40.007 40.007 41.280 -1.273 25944 1336 1 3 . 1 1 35 35 ASP H H 35 8.857 8.857 8.806 0.051 25944 1337 1 3 . 1 1 36 36 LYS N N 36 119.269 119.269 119.738 -0.469 25944 1338 1 3 . 1 1 36 36 LYS HA H 36 4.146 4.146 4.124 0.022 25944 1339 1 3 . 1 1 36 36 LYS C C 36 179.704 179.704 178.178 1.526 25944 1340 1 3 . 1 1 36 36 LYS CA C 36 58.391 58.391 58.368 0.023 25944 1341 1 3 . 1 1 36 36 LYS CB C 36 31.904 31.904 31.233 0.671 25944 1342 1 3 . 1 1 36 36 LYS H H 36 7.972 7.972 8.364 -0.392 25944 1343 1 3 . 1 1 37 37 LEU N N 37 122.961 122.961 119.884 3.077 25944 1344 1 3 . 1 1 37 37 LEU HA H 37 3.938 3.938 4.318 -0.380 25944 1345 1 3 . 1 1 37 37 LEU C C 37 177.699 177.699 178.018 -0.319 25944 1346 1 3 . 1 1 37 37 LEU CA C 37 56.863 56.863 56.797 0.066 25944 1347 1 3 . 1 1 37 37 LEU CB C 37 42.072 42.072 41.862 0.210 25944 1348 1 3 . 1 1 37 37 LEU H H 37 7.370 7.370 7.600 -0.230 25944 1349 1 3 . 1 1 38 38 ALA N N 38 120.603 120.603 121.715 -1.112 25944 1350 1 3 . 1 1 38 38 ALA HA H 38 3.270 3.270 3.852 -0.582 25944 1351 1 3 . 1 1 38 38 ALA C C 38 176.450 176.450 179.433 -2.983 25944 1352 1 3 . 1 1 38 38 ALA CA C 38 55.268 55.268 55.379 -0.111 25944 1353 1 3 . 1 1 38 38 ALA CB C 38 16.619 16.619 17.863 -1.244 25944 1354 1 3 . 1 1 38 38 ALA H H 38 7.918 7.918 8.364 -0.446 25944 1355 1 3 . 1 1 39 39 ASP N N 39 113.981 113.981 119.271 -5.290 25944 1356 1 3 . 1 1 39 39 ASP HA H 39 4.082 4.082 4.595 -0.513 25944 1357 1 3 . 1 1 39 39 ASP C C 39 178.258 178.258 177.984 0.274 25944 1358 1 3 . 1 1 39 39 ASP CA C 39 57.308 57.308 57.447 -0.139 25944 1359 1 3 . 1 1 39 39 ASP CB C 39 40.859 40.859 40.711 0.148 25944 1360 1 3 . 1 1 39 39 ASP H H 39 7.594 7.594 8.309 -0.715 25944 1361 1 3 . 1 1 40 40 ALA N N 40 119.475 119.475 120.357 -0.882 25944 1362 1 3 . 1 1 40 40 ALA HA H 40 3.831 3.831 4.314 -0.483 25944 1363 1 3 . 1 1 40 40 ALA C C 40 179.459 179.459 178.902 0.557 25944 1364 1 3 . 1 1 40 40 ALA CA C 40 54.590 54.590 53.907 0.683 25944 1365 1 3 . 1 1 40 40 ALA CB C 40 17.241 17.241 18.646 -1.405 25944 1366 1 3 . 1 1 40 40 ALA H H 40 6.934 6.934 7.737 -0.803 25944 1367 1 3 . 1 1 41 41 ALA N N 41 124.918 124.918 123.554 1.364 25944 1368 1 3 . 1 1 41 41 ALA HA H 41 1.920 1.920 2.782 -0.862 25944 1369 1 3 . 1 1 41 41 ALA C C 41 177.309 177.309 177.898 -0.589 25944 1370 1 3 . 1 1 41 41 ALA CA C 41 54.473 54.473 54.046 0.427 25944 1371 1 3 . 1 1 41 41 ALA CB C 41 16.412 16.412 18.201 -1.788 25944 1372 1 3 . 1 1 41 41 ALA H H 41 7.384 7.384 7.643 -0.259 25944 1373 1 3 . 1 1 42 42 TYR N N 42 115.340 115.340 117.181 -1.841 25944 1374 1 3 . 1 1 42 42 TYR HA H 42 4.164 4.164 4.414 -0.250 25944 1375 1 3 . 1 1 42 42 TYR C C 42 179.228 179.228 177.563 1.665 25944 1376 1 3 . 1 1 42 42 TYR CA C 42 58.300 58.300 60.749 -2.449 25944 1377 1 3 . 1 1 42 42 TYR CB C 42 35.365 35.365 37.985 -2.620 25944 1378 1 3 . 1 1 42 42 TYR H H 42 7.639 7.639 8.428 -0.789 25944 1379 1 3 . 1 1 43 43 ILE N N 43 117.754 117.754 118.418 -0.664 25944 1380 1 3 . 1 1 43 43 ILE HA H 43 3.839 3.839 3.457 0.382 25944 1381 1 3 . 1 1 43 43 ILE C C 43 178.090 178.090 177.349 0.741 25944 1382 1 3 . 1 1 43 43 ILE CA C 43 64.721 64.721 61.132 3.589 25944 1383 1 3 . 1 1 43 43 ILE CB C 43 39.511 39.511 36.888 2.623 25944 1384 1 3 . 1 1 43 43 ILE H H 43 7.321 7.321 6.980 0.341 25944 1385 1 3 . 1 1 44 44 TRP N N 44 124.439 124.439 123.596 0.843 25944 1386 1 3 . 1 1 44 44 TRP HA H 44 4.049 4.049 4.325 -0.276 25944 1387 1 3 . 1 1 44 44 TRP C C 44 181.073 181.073 178.310 2.763 25944 1388 1 3 . 1 1 44 44 TRP CA C 44 63.008 63.008 61.043 1.965 25944 1389 1 3 . 1 1 44 44 TRP CB C 44 30.286 30.286 29.252 1.034 25944 1390 1 3 . 1 1 44 44 TRP H H 44 8.016 8.016 7.040 0.976 25944 1391 1 3 . 1 1 45 45 TRP N N 45 121.640 121.640 118.241 3.399 25944 1392 1 3 . 1 1 45 45 TRP HA H 45 4.537 4.537 4.470 0.067 25944 1393 1 3 . 1 1 45 45 TRP C C 45 178.515 178.515 179.253 -0.738 25944 1394 1 3 . 1 1 45 45 TRP CA C 45 58.862 58.862 59.797 -0.935 25944 1395 1 3 . 1 1 45 45 TRP CB C 45 28.572 28.572 28.368 0.204 25944 1396 1 3 . 1 1 45 45 TRP H H 45 10.044 10.044 7.851 2.193 25944 1397 1 3 . 1 1 46 46 GLN N N 46 120.394 120.394 118.661 1.733 25944 1398 1 3 . 1 1 46 46 GLN HA H 46 4.276 4.276 3.917 0.359 25944 1399 1 3 . 1 1 46 46 GLN C C 46 180.992 180.992 178.203 2.789 25944 1400 1 3 . 1 1 46 46 GLN CA C 46 59.809 59.809 59.077 0.732 25944 1401 1 3 . 1 1 46 46 GLN CB C 46 26.732 26.732 28.031 -1.299 25944 1402 1 3 . 1 1 46 46 GLN H H 46 8.652 8.652 8.288 0.364 25944 1403 1 3 . 1 1 47 47 HIS N N 47 118.999 118.999 116.558 2.441 25944 1404 1 3 . 1 1 47 47 HIS HA H 47 4.304 4.304 4.164 0.140 25944 1405 1 3 . 1 1 47 47 HIS C C 47 175.745 175.745 175.374 0.371 25944 1406 1 3 . 1 1 47 47 HIS CA C 47 53.405 53.405 57.996 -4.591 25944 1407 1 3 . 1 1 47 47 HIS CB C 47 28.839 28.839 29.575 -0.736 25944 1408 1 3 . 1 1 47 47 HIS H H 47 8.640 8.640 7.553 1.087 25944 1409 1 3 . 1 1 48 48 ASN N N 48 115.577 115.577 114.400 1.177 25944 1410 1 3 . 1 1 48 48 ASN HA H 48 4.387 4.387 4.661 -0.274 25944 1411 1 3 . 1 1 48 48 ASN C C 48 172.379 172.379 174.336 -1.957 25944 1412 1 3 . 1 1 48 48 ASN CA C 48 53.783 53.783 52.688 1.095 25944 1413 1 3 . 1 1 48 48 ASN CB C 48 38.582 38.582 38.122 0.460 25944 1414 1 3 . 1 1 48 48 ASN H H 48 7.851 7.851 7.558 0.293 25944 1415 1 3 . 1 1 49 49 ARG N N 49 114.746 114.746 117.088 -2.342 25944 1416 1 3 . 1 1 49 49 ARG HA H 49 3.837 3.837 3.953 -0.116 25944 1417 1 3 . 1 1 49 49 ARG C C 49 175.105 175.105 175.480 -0.375 25944 1418 1 3 . 1 1 49 49 ARG CA C 49 57.252 57.252 57.079 0.173 25944 1419 1 3 . 1 1 49 49 ARG CB C 49 26.100 26.100 27.428 -1.329 25944 1420 1 3 . 1 1 49 49 ARG H H 49 7.790 7.790 8.111 -0.321 25944 1421 1 3 . 1 1 50 50 VAL N N 50 120.612 120.612 118.845 1.767 25944 1422 1 3 . 1 1 50 50 VAL HA H 50 4.169 4.169 4.077 0.092 25944 1423 1 3 . 1 1 50 50 VAL C C 50 178.261 178.261 175.663 2.598 25944 1424 1 3 . 1 1 50 50 VAL CA C 50 63.272 63.272 62.311 0.961 25944 1425 1 3 . 1 1 50 50 VAL CB C 50 31.060 31.060 33.645 -2.585 25944 1426 1 3 . 1 1 50 50 VAL H H 50 8.556 8.556 7.728 0.828 25944 1427 1 3 . 1 1 51 51 THR N N 51 122.788 122.788 118.943 3.845 25944 1428 1 3 . 1 1 51 51 THR HA H 51 4.761 4.761 4.614 0.147 25944 1429 1 3 . 1 1 51 51 THR C C 51 176.097 176.097 175.194 0.903 25944 1430 1 3 . 1 1 51 51 THR CA C 51 60.823 60.823 59.868 0.955 25944 1431 1 3 . 1 1 51 51 THR CB C 51 71.497 71.497 70.850 0.647 25944 1432 1 3 . 1 1 51 51 THR H H 51 8.706 8.706 8.194 0.512 25944 1433 1 3 . 1 1 52 52 LEU N N 52 120.755 120.755 128.496 -7.741 25944 1434 1 3 . 1 1 52 52 LEU HA H 52 3.996 3.996 3.970 0.026 25944 1435 1 3 . 1 1 52 52 LEU C C 52 179.154 179.154 178.300 0.854 25944 1436 1 3 . 1 1 52 52 LEU CA C 52 58.472 58.472 57.645 0.827 25944 1437 1 3 . 1 1 52 52 LEU CB C 52 40.238 40.238 41.313 -1.075 25944 1438 1 3 . 1 1 52 52 LEU H H 52 8.990 8.990 8.854 0.136 25944 1439 1 3 . 1 1 53 53 ASP N N 53 117.391 117.391 117.150 0.241 25944 1440 1 3 . 1 1 53 53 ASP HA H 53 4.547 4.547 4.240 0.307 25944 1441 1 3 . 1 1 53 53 ASP C C 53 178.795 178.795 177.292 1.503 25944 1442 1 3 . 1 1 53 53 ASP CA C 53 57.267 57.267 56.894 0.373 25944 1443 1 3 . 1 1 53 53 ASP CB C 53 40.462 40.462 40.879 -0.417 25944 1444 1 3 . 1 1 53 53 ASP H H 53 8.204 8.204 7.940 0.264 25944 1445 1 3 . 1 1 54 54 GLN N N 54 119.886 119.886 118.327 1.559 25944 1446 1 3 . 1 1 54 54 GLN C C 54 179.913 179.913 178.196 1.717 25944 1447 1 3 . 1 1 54 54 GLN CA C 54 59.022 59.022 58.532 0.489 25944 1448 1 3 . 1 1 54 54 GLN CB C 54 29.100 29.100 28.995 0.105 25944 1449 1 3 . 1 1 54 54 GLN H H 54 7.761 7.761 7.596 0.165 25944 1450 1 3 . 1 1 55 55 ILE N N 55 121.501 121.501 120.224 1.277 25944 1451 1 3 . 1 1 55 55 ILE C C 55 177.425 177.425 177.915 -0.490 25944 1452 1 3 . 1 1 55 55 ILE CA C 55 61.603 61.603 63.622 -2.019 25944 1453 1 3 . 1 1 55 55 ILE CB C 55 33.900 33.900 36.333 -2.433 25944 1454 1 3 . 1 1 55 55 ILE H H 55 7.864 7.864 7.617 0.247 25944 1455 1 3 . 1 1 56 56 ASP N N 56 122.017 122.017 119.816 2.201 25944 1456 1 3 . 1 1 56 56 ASP HA H 56 4.337 4.337 3.381 0.956 25944 1457 1 3 . 1 1 56 56 ASP C C 56 177.692 177.692 178.070 -0.378 25944 1458 1 3 . 1 1 56 56 ASP CA C 56 58.337 58.337 57.428 0.909 25944 1459 1 3 . 1 1 56 56 ASP CB C 56 42.299 42.299 40.209 2.091 25944 1460 1 3 . 1 1 56 56 ASP H H 56 8.840 8.840 8.539 0.301 25944 1461 1 3 . 1 1 57 57 THR N N 57 114.652 114.652 114.964 -0.312 25944 1462 1 3 . 1 1 57 57 THR HA H 57 4.239 4.239 3.944 0.295 25944 1463 1 3 . 1 1 57 57 THR C C 57 176.138 176.138 176.330 -0.192 25944 1464 1 3 . 1 1 57 57 THR CA C 57 67.433 67.433 65.795 1.638 25944 1465 1 3 . 1 1 57 57 THR CB C 57 68.636 68.636 68.665 -0.029 25944 1466 1 3 . 1 1 57 57 THR H H 57 8.148 8.148 7.576 0.572 25944 1467 1 3 . 1 1 58 58 PHE N N 58 124.453 124.453 122.377 2.076 25944 1468 1 3 . 1 1 58 58 PHE HA H 58 4.598 4.598 4.310 0.288 25944 1469 1 3 . 1 1 58 58 PHE C C 58 176.122 176.122 176.087 0.035 25944 1470 1 3 . 1 1 58 58 PHE CA C 58 59.150 59.150 60.354 -1.204 25944 1471 1 3 . 1 1 58 58 PHE CB C 58 38.571 38.571 39.013 -0.442 25944 1472 1 3 . 1 1 58 58 PHE H H 58 7.650 7.650 7.089 0.561 25944 1473 1 3 . 1 1 59 59 LEU N N 59 120.652 120.652 121.097 -0.445 25944 1474 1 3 . 1 1 59 59 LEU HA H 59 3.423 3.423 3.231 0.192 25944 1475 1 3 . 1 1 59 59 LEU C C 59 179.603 179.603 178.609 0.994 25944 1476 1 3 . 1 1 59 59 LEU CA C 59 57.710 57.710 58.256 -0.546 25944 1477 1 3 . 1 1 59 59 LEU CB C 59 39.800 39.800 41.743 -1.943 25944 1478 1 3 . 1 1 59 59 LEU H H 59 8.543 8.543 8.637 -0.094 25944 1479 1 3 . 1 1 60 60 LYS N N 60 119.870 119.870 119.058 0.812 25944 1480 1 3 . 1 1 60 60 LYS HA H 60 3.563 3.563 3.698 -0.135 25944 1481 1 3 . 1 1 60 60 LYS C C 60 178.258 178.258 178.608 -0.350 25944 1482 1 3 . 1 1 60 60 LYS CA C 60 59.797 59.797 59.806 -0.009 25944 1483 1 3 . 1 1 60 60 LYS CB C 60 32.464 32.464 32.197 0.267 25944 1484 1 3 . 1 1 60 60 LYS H H 60 8.105 8.105 7.778 0.327 25944 1485 1 3 . 1 1 61 61 LEU N N 61 120.600 120.600 115.461 5.139 25944 1486 1 3 . 1 1 61 61 LEU HA H 61 4.117 4.117 4.012 0.105 25944 1487 1 3 . 1 1 61 61 LEU C C 61 178.029 178.029 177.593 0.436 25944 1488 1 3 . 1 1 61 61 LEU CA C 61 56.880 56.880 57.402 -0.522 25944 1489 1 3 . 1 1 61 61 LEU CB C 61 42.059 42.059 41.507 0.552 25944 1490 1 3 . 1 1 61 61 LEU H H 61 7.496 7.496 7.404 0.092 25944 1491 1 3 . 1 1 62 62 ALA N N 62 118.900 118.900 120.455 -1.555 25944 1492 1 3 . 1 1 62 62 ALA HA H 62 3.901 3.901 4.117 -0.216 25944 1493 1 3 . 1 1 62 62 ALA C C 62 178.505 178.505 178.679 -0.174 25944 1494 1 3 . 1 1 62 62 ALA CA C 62 54.603 54.603 53.490 1.113 25944 1495 1 3 . 1 1 62 62 ALA CB C 62 19.400 19.400 18.903 0.497 25944 1496 1 3 . 1 1 62 62 ALA H H 62 7.827 7.827 7.459 0.368 25944 1497 1 3 . 1 1 63 63 SER N N 63 111.351 111.351 114.385 -3.034 25944 1498 1 3 . 1 1 63 63 SER HA H 63 3.390 3.390 4.311 -0.921 25944 1499 1 3 . 1 1 63 63 SER C C 63 170.257 170.257 175.168 -4.911 25944 1500 1 3 . 1 1 63 63 SER CA C 63 59.687 59.687 60.588 -0.901 25944 1501 1 3 . 1 1 63 63 SER CB C 63 62.300 62.300 64.178 -1.878 25944 1502 1 3 . 1 1 63 63 SER H H 63 7.839 7.839 8.186 -0.347 25944 1503 1 3 . 1 1 67 67 GLN N N 67 122.300 122.300 116.226 6.074 25944 1504 1 3 . 1 1 67 67 GLN HA H 67 4.009 4.009 4.044 -0.035 25944 1505 1 3 . 1 1 67 67 GLN C C 67 176.000 176.000 175.595 0.405 25944 1506 1 3 . 1 1 67 67 GLN CA C 67 56.950 56.950 56.726 0.224 25944 1507 1 3 . 1 1 67 67 GLN CB C 67 26.500 26.500 27.384 -0.885 25944 1508 1 3 . 1 1 67 67 GLN H H 67 8.201 8.201 8.151 0.050 25944 1509 1 3 . 1 1 68 68 GLY N N 68 105.200 105.200 105.550 -0.350 25944 1510 1 3 . 1 1 68 68 GLY C C 68 174.914 174.914 174.554 0.360 25944 1511 1 3 . 1 1 68 68 GLY CA C 68 45.622 45.622 45.273 0.349 25944 1512 1 3 . 1 1 68 68 GLY H H 68 8.512 8.512 8.037 0.475 25944 1513 1 3 . 1 1 69 69 ALA N N 69 125.585 125.585 126.717 -1.132 25944 1514 1 3 . 1 1 69 69 ALA HA H 69 4.020 4.020 4.041 -0.021 25944 1515 1 3 . 1 1 69 69 ALA C C 69 180.176 180.176 179.028 1.148 25944 1516 1 3 . 1 1 69 69 ALA CA C 69 55.000 55.000 54.611 0.389 25944 1517 1 3 . 1 1 69 69 ALA CB C 69 18.200 18.200 18.949 -0.749 25944 1518 1 3 . 1 1 69 69 ALA H H 69 8.046 8.046 8.321 -0.275 25944 1519 1 3 . 1 1 70 70 LYS N N 70 116.500 116.500 118.832 -2.332 25944 1520 1 3 . 1 1 70 70 LYS HA H 70 3.923 3.923 4.112 -0.189 25944 1521 1 3 . 1 1 70 70 LYS C C 70 176.800 176.800 178.056 -1.256 25944 1522 1 3 . 1 1 70 70 LYS CA C 70 58.530 58.530 58.254 0.276 25944 1523 1 3 . 1 1 70 70 LYS H H 70 7.928 7.928 8.506 -0.578 25944 1524 1 3 . 1 1 71 71 TYR N N 71 116.400 116.400 118.289 -1.889 25944 1525 1 3 . 1 1 71 71 TYR HA H 71 5.173 5.173 4.281 0.892 25944 1526 1 3 . 1 1 71 71 TYR C C 71 175.800 175.800 176.487 -0.687 25944 1527 1 3 . 1 1 71 71 TYR CA C 71 55.810 55.810 60.098 -4.288 25944 1528 1 3 . 1 1 71 71 TYR CB C 71 40.500 40.500 37.922 2.578 25944 1529 1 3 . 1 1 71 71 TYR H H 71 7.465 7.465 8.219 -0.754 25944 1530 1 3 . 1 1 72 72 ASN N N 72 120.200 120.200 115.196 5.004 25944 1531 1 3 . 1 1 72 72 ASN HA H 72 4.421 4.421 4.137 0.284 25944 1532 1 3 . 1 1 72 72 ASN C C 72 176.000 176.000 176.891 -0.891 25944 1533 1 3 . 1 1 72 72 ASN CA C 72 56.600 56.600 54.640 1.960 25944 1534 1 3 . 1 1 72 72 ASN CB C 72 38.690 38.690 38.689 0.001 25944 1535 1 3 . 1 1 72 72 ASN H H 72 7.675 7.675 7.638 0.037 25944 1536 1 3 . 1 1 73 73 GLN N N 73 119.800 119.800 120.081 -0.281 25944 1537 1 3 . 1 1 73 73 GLN HA H 73 4.212 4.212 4.033 0.179 25944 1538 1 3 . 1 1 73 73 GLN C C 73 178.600 178.600 177.812 0.788 25944 1539 1 3 . 1 1 73 73 GLN CA C 73 59.610 59.610 58.412 1.198 25944 1540 1 3 . 1 1 73 73 GLN CB C 73 29.460 29.460 28.797 0.663 25944 1541 1 3 . 1 1 73 73 GLN H H 73 9.111 9.111 7.441 1.670 25944 1542 1 3 . 1 1 74 74 ILE N N 74 119.200 119.200 115.537 3.663 25944 1543 1 3 . 1 1 74 74 ILE HA H 74 4.409 4.409 3.903 0.506 25944 1544 1 3 . 1 1 74 74 ILE C C 74 177.100 177.100 177.188 -0.088 25944 1545 1 3 . 1 1 74 74 ILE CA C 74 63.410 63.410 63.166 0.244 25944 1546 1 3 . 1 1 74 74 ILE CB C 74 37.700 37.700 36.827 0.873 25944 1547 1 3 . 1 1 74 74 ILE H H 74 7.944 7.944 7.412 0.532 25944 1548 1 3 . 1 1 75 75 TYR N N 75 119.600 119.600 120.648 -1.048 25944 1549 1 3 . 1 1 75 75 TYR HA H 75 3.891 3.891 4.354 -0.463 25944 1550 1 3 . 1 1 75 75 TYR C C 75 176.800 176.800 176.866 -0.066 25944 1551 1 3 . 1 1 75 75 TYR CA C 75 62.650 62.650 60.602 2.048 25944 1552 1 3 . 1 1 75 75 TYR CB C 75 38.950 38.950 39.212 -0.262 25944 1553 1 3 . 1 1 75 75 TYR H H 75 6.718 6.718 7.622 -0.904 25944 1554 1 3 . 1 1 76 76 ASN N N 76 115.900 115.900 119.007 -3.107 25944 1555 1 3 . 1 1 76 76 ASN HA H 76 4.385 4.385 4.396 -0.011 25944 1556 1 3 . 1 1 76 76 ASN C C 76 178.600 178.600 177.246 1.354 25944 1557 1 3 . 1 1 76 76 ASN CA C 76 56.310 56.310 56.516 -0.206 25944 1558 1 3 . 1 1 76 76 ASN H H 76 8.901 8.901 7.904 0.997 25944 1559 1 3 . 1 1 77 77 SER N N 77 117.000 117.000 114.824 2.176 25944 1560 1 3 . 1 1 77 77 SER HA H 77 4.219 4.219 4.029 0.190 25944 1561 1 3 . 1 1 77 77 SER C C 77 176.800 176.800 176.320 0.480 25944 1562 1 3 . 1 1 77 77 SER CA C 77 62.600 62.600 61.144 1.456 25944 1563 1 3 . 1 1 77 77 SER H H 77 8.512 8.512 7.854 0.658 25944 1564 1 3 . 1 1 78 78 TYR N N 78 125.400 125.400 122.770 2.630 25944 1565 1 3 . 1 1 78 78 TYR HA H 78 4.379 4.379 4.417 -0.038 25944 1566 1 3 . 1 1 78 78 TYR C C 78 176.600 176.600 176.606 -0.006 25944 1567 1 3 . 1 1 78 78 TYR CA C 78 59.800 59.800 61.322 -1.522 25944 1568 1 3 . 1 1 78 78 TYR CB C 78 37.200 37.200 38.646 -1.446 25944 1569 1 3 . 1 1 78 78 TYR H H 78 8.299 8.299 8.100 0.199 25944 1570 1 3 . 1 1 79 79 MET N N 79 118.400 118.400 117.858 0.542 25944 1571 1 3 . 1 1 79 79 MET HA H 79 3.421 3.421 3.828 -0.407 25944 1572 1 3 . 1 1 79 79 MET C C 79 178.400 178.400 178.468 -0.068 25944 1573 1 3 . 1 1 79 79 MET CA C 79 60.400 60.400 59.461 0.939 25944 1574 1 3 . 1 1 79 79 MET CB C 79 32.750 32.750 32.908 -0.158 25944 1575 1 3 . 1 1 79 79 MET H H 79 8.264 8.264 7.650 0.614 25944 1576 1 3 . 1 1 80 80 MET N N 80 117.172 117.172 115.590 1.582 25944 1577 1 3 . 1 1 80 80 MET HA H 80 4.136 4.136 4.230 -0.094 25944 1578 1 3 . 1 1 80 80 MET C C 80 179.418 179.418 177.100 2.318 25944 1579 1 3 . 1 1 80 80 MET CA C 80 58.419 58.419 58.658 -0.239 25944 1580 1 3 . 1 1 80 80 MET CB C 80 32.400 32.400 32.222 0.178 25944 1581 1 3 . 1 1 80 80 MET H H 80 7.907 7.907 8.140 -0.233 25944 1582 1 3 . 1 1 81 81 HIS N N 81 121.510 121.510 119.234 2.276 25944 1583 1 3 . 1 1 81 81 HIS HA H 81 4.123 4.123 4.258 -0.135 25944 1584 1 3 . 1 1 81 81 HIS C C 81 177.339 177.339 176.847 0.492 25944 1585 1 3 . 1 1 81 81 HIS CA C 81 60.130 60.130 58.922 1.208 25944 1586 1 3 . 1 1 81 81 HIS CB C 81 29.556 29.556 30.461 -0.905 25944 1587 1 3 . 1 1 81 81 HIS H H 81 8.115 8.115 7.333 0.782 25944 1588 1 3 . 1 1 82 82 LEU N N 82 117.015 117.015 117.747 -0.732 25944 1589 1 3 . 1 1 82 82 LEU HA H 82 3.856 3.856 4.252 -0.396 25944 1590 1 3 . 1 1 82 82 LEU C C 82 178.330 178.330 177.170 1.160 25944 1591 1 3 . 1 1 82 82 LEU CA C 82 56.000 56.000 55.784 0.216 25944 1592 1 3 . 1 1 82 82 LEU CB C 82 42.503 42.503 42.950 -0.447 25944 1593 1 3 . 1 1 82 82 LEU H H 82 7.979 7.979 7.662 0.317 25944 1594 1 3 . 1 1 83 83 GLY N N 83 106.661 106.661 107.442 -0.781 25944 1595 1 3 . 1 1 83 83 GLY C C 83 174.964 174.964 174.874 0.090 25944 1596 1 3 . 1 1 83 83 GLY CA C 83 45.799 45.799 45.433 0.366 25944 1597 1 3 . 1 1 83 83 GLY H H 83 7.755 7.755 7.760 -0.005 25944 1598 1 3 . 1 1 84 84 LEU N N 84 120.273 120.273 114.929 5.344 25944 1599 1 3 . 1 1 84 84 LEU HA H 84 4.399 4.399 4.844 -0.445 25944 1600 1 3 . 1 1 84 84 LEU C C 84 177.302 177.302 177.321 -0.019 25944 1601 1 3 . 1 1 84 84 LEU CA C 84 55.048 55.048 53.858 1.190 25944 1602 1 3 . 1 1 84 84 LEU CB C 84 42.662 42.662 42.335 0.327 25944 1603 1 3 . 1 1 84 84 LEU H H 84 7.568 7.568 7.694 -0.126 25944 1604 1 3 . 1 1 85 85 THR N N 85 111.602 111.602 116.921 -5.319 25944 1605 1 3 . 1 1 85 85 THR HA H 85 4.291 4.291 4.458 -0.167 25944 1606 1 3 . 1 1 85 85 THR C C 85 175.115 175.115 175.209 -0.094 25944 1607 1 3 . 1 1 85 85 THR CA C 85 62.122 62.122 63.546 -1.424 25944 1608 1 3 . 1 1 85 85 THR CB C 85 69.882 69.882 69.466 0.416 25944 1609 1 3 . 1 1 85 85 THR H H 85 8.005 8.005 7.815 0.190 25944 1610 1 3 . 1 1 86 86 GLY N N 86 110.816 110.816 112.762 -1.946 25944 1611 1 3 . 1 1 86 86 GLY C C 86 173.491 173.491 173.196 0.295 25944 1612 1 3 . 1 1 86 86 GLY CA C 86 45.335 45.335 44.711 0.625 25944 1613 1 3 . 1 1 86 86 GLY H H 86 8.246 8.246 8.889 -0.643 25944 1614 1 3 . 1 1 87 87 TYR N N 87 119.845 119.845 119.919 -0.074 25944 1615 1 3 . 1 1 87 87 TYR HA H 87 4.505 4.505 4.718 -0.213 25944 1616 1 3 . 1 1 87 87 TYR C C 87 175.166 175.166 175.609 -0.443 25944 1617 1 3 . 1 1 87 87 TYR CA C 87 58.010 58.010 57.363 0.647 25944 1618 1 3 . 1 1 87 87 TYR CB C 87 39.058 39.058 39.693 -0.635 25944 1619 1 3 . 1 1 87 87 TYR H H 87 7.935 7.935 8.271 -0.336 25944 1620 1 3 . 1 1 88 88 GLU N N 88 125.299 125.299 120.827 4.472 25944 1621 1 3 . 1 1 88 88 GLU HA H 88 4.517 4.517 4.239 0.278 25944 1622 1 3 . 1 1 88 88 GLU C C 88 174.024 174.024 174.067 -0.043 25944 1623 1 3 . 1 1 88 88 GLU CA C 88 53.851 53.851 56.297 -2.446 25944 1624 1 3 . 1 1 88 88 GLU CB C 88 30.050 30.050 30.060 -0.010 25944 1625 1 3 . 1 1 88 88 GLU H H 88 8.205 8.205 8.511 -0.306 25944 1626 1 3 . 1 1 89 89 PRO HA H 89 4.302 4.302 4.422 -0.120 25944 1627 1 3 . 1 1 89 89 PRO C C 89 176.800 176.800 176.749 0.051 25944 1628 1 3 . 1 1 89 89 PRO CA C 89 63.237 63.237 62.953 0.284 25944 1629 1 3 . 1 1 89 89 PRO CB C 89 32.100 32.100 32.200 -0.101 25944 1630 1 3 . 1 1 90 90 ASN N N 90 118.411 118.411 122.501 -4.090 25944 1631 1 3 . 1 1 90 90 ASN HA H 90 4.658 4.658 4.902 -0.244 25944 1632 1 3 . 1 1 90 90 ASN C C 90 175.462 175.462 175.037 0.425 25944 1633 1 3 . 1 1 90 90 ASN CA C 90 53.497 53.497 53.010 0.487 25944 1634 1 3 . 1 1 90 90 ASN CB C 90 38.809 38.809 38.114 0.695 25944 1635 1 3 . 1 1 90 90 ASN H H 90 8.649 8.649 8.714 -0.065 25944 1636 1 3 . 1 1 91 91 SER N N 91 116.049 116.049 117.058 -1.009 25944 1637 1 3 . 1 1 91 91 SER HA H 91 4.396 4.396 4.407 -0.011 25944 1638 1 3 . 1 1 91 91 SER C C 91 174.844 174.844 174.531 0.313 25944 1639 1 3 . 1 1 91 91 SER CA C 91 58.769 58.769 59.217 -0.448 25944 1640 1 3 . 1 1 91 91 SER CB C 91 63.927 63.927 63.923 0.004 25944 1641 1 3 . 1 1 91 91 SER H H 91 8.255 8.255 8.676 -0.421 25944 1642 1 3 . 1 1 92 92 SER N N 92 117.736 117.736 113.908 3.828 25944 1643 1 3 . 1 1 92 92 SER HA H 92 4.414 4.414 4.665 -0.251 25944 1644 1 3 . 1 1 92 92 SER C C 92 174.749 174.749 173.099 1.650 25944 1645 1 3 . 1 1 92 92 SER CA C 92 58.651 58.651 57.784 0.867 25944 1646 1 3 . 1 1 92 92 SER CB C 92 63.952 63.952 63.861 0.091 25944 1647 1 3 . 1 1 92 92 SER H H 92 8.399 8.399 8.250 0.149 25944 1648 1 3 . 1 1 93 93 SER N N 93 117.731 117.731 116.286 1.445 25944 1649 1 3 . 1 1 93 93 SER HA H 93 4.437 4.437 5.003 -0.566 25944 1650 1 3 . 1 1 93 93 SER C C 93 174.918 174.918 172.609 2.309 25944 1651 1 3 . 1 1 93 93 SER CA C 93 58.696 58.696 58.214 0.482 25944 1652 1 3 . 1 1 93 93 SER CB C 93 63.822 63.822 65.088 -1.266 25944 1653 1 3 . 1 1 93 93 SER H H 93 8.308 8.308 8.247 0.061 25944 1654 1 3 . 1 1 94 94 VAL N N 94 121.028 121.028 120.757 0.271 25944 1655 1 3 . 1 1 94 94 VAL HA H 94 4.020 4.020 4.268 -0.248 25944 1656 1 3 . 1 1 94 94 VAL C C 94 176.301 176.301 173.870 2.431 25944 1657 1 3 . 1 1 94 94 VAL CA C 94 63.176 63.176 62.048 1.127 25944 1658 1 3 . 1 1 94 94 VAL CB C 94 32.797 32.797 34.012 -1.215 25944 1659 1 3 . 1 1 94 94 VAL H H 94 8.026 8.026 8.412 -0.387 25944 1660 1 3 . 1 1 95 95 ASP N N 95 122.997 122.997 126.843 -3.846 25944 1661 1 3 . 1 1 95 95 ASP HA H 95 4.537 4.537 4.907 -0.370 25944 1662 1 3 . 1 1 95 95 ASP C C 95 176.937 176.937 176.357 0.580 25944 1663 1 3 . 1 1 95 95 ASP CA C 95 54.806 54.806 53.987 0.819 25944 1664 1 3 . 1 1 95 95 ASP CB C 95 41.014 41.014 41.710 -0.696 25944 1665 1 3 . 1 1 95 95 ASP H H 95 8.274 8.274 8.613 -0.339 25944 1666 1 3 . 1 1 96 96 LYS N N 96 121.796 121.796 120.598 1.198 25944 1667 1 3 . 1 1 96 96 LYS HA H 96 4.163 4.163 4.133 0.030 25944 1668 1 3 . 1 1 96 96 LYS C C 96 177.534 177.534 177.490 0.044 25944 1669 1 3 . 1 1 96 96 LYS CA C 96 57.500 57.500 58.190 -0.690 25944 1670 1 3 . 1 1 96 96 LYS CB C 96 32.171 32.171 32.714 -0.543 25944 1671 1 3 . 1 1 96 96 LYS H H 96 8.159 8.159 8.082 0.077 25944 1672 1 3 . 1 1 97 97 LEU N N 97 121.703 121.703 113.674 8.029 25944 1673 1 3 . 1 1 97 97 LEU HA H 97 4.216 4.216 4.457 -0.241 25944 1674 1 3 . 1 1 97 97 LEU C C 97 177.892 177.892 177.866 0.026 25944 1675 1 3 . 1 1 97 97 LEU CA C 97 56.024 56.024 55.681 0.343 25944 1676 1 3 . 1 1 97 97 LEU CB C 97 41.755 41.755 41.181 0.574 25944 1677 1 3 . 1 1 97 97 LEU H H 97 8.097 8.097 7.515 0.582 25944 1678 1 3 . 1 1 98 98 ALA N N 98 123.261 123.261 123.072 0.189 25944 1679 1 3 . 1 1 98 98 ALA HA H 98 4.158 4.158 4.068 0.090 25944 1680 1 3 . 1 1 98 98 ALA C C 98 178.590 178.590 178.222 0.368 25944 1681 1 3 . 1 1 98 98 ALA CA C 98 53.201 53.201 53.933 -0.732 25944 1682 1 3 . 1 1 98 98 ALA CB C 98 18.643 18.643 18.611 0.032 25944 1683 1 3 . 1 1 98 98 ALA H H 98 7.998 7.998 7.842 0.156 25944 1684 1 3 . 1 1 99 99 ALA N N 99 121.686 121.686 121.345 0.341 25944 1685 1 3 . 1 1 99 99 ALA HA H 99 4.173 4.173 4.532 -0.359 25944 1686 1 3 . 1 1 99 99 ALA C C 99 178.303 178.303 175.952 2.351 25944 1687 1 3 . 1 1 99 99 ALA CA C 99 53.182 53.182 51.828 1.354 25944 1688 1 3 . 1 1 99 99 ALA CB C 99 18.638 18.638 19.062 -0.424 25944 1689 1 3 . 1 1 99 99 ALA H H 99 8.009 8.009 7.992 0.017 25944 1690 1 3 . 1 1 100 100 ALA N N 100 121.570 121.570 124.749 -3.179 25944 1691 1 3 . 1 1 100 100 ALA HA H 100 4.218 4.218 4.541 -0.323 25944 1692 1 3 . 1 1 100 100 ALA C C 100 178.276 178.276 175.665 2.611 25944 1693 1 3 . 1 1 100 100 ALA CA C 100 52.889 52.889 51.364 1.525 25944 1694 1 3 . 1 1 100 100 ALA CB C 100 18.756 18.756 21.061 -2.305 25944 1695 1 3 . 1 1 100 100 ALA H H 100 7.950 7.950 8.253 -0.303 25944 1696 1 3 . 1 1 101 101 LEU N N 101 120.160 120.160 122.245 -2.085 25944 1697 1 3 . 1 1 101 101 LEU HA H 101 4.223 4.223 4.692 -0.469 25944 1698 1 3 . 1 1 101 101 LEU C C 101 177.673 177.673 176.578 1.095 25944 1699 1 3 . 1 1 101 101 LEU CA C 101 55.529 55.529 55.237 0.292 25944 1700 1 3 . 1 1 101 101 LEU CB C 101 42.213 42.213 41.372 0.841 25944 1701 1 3 . 1 1 101 101 LEU H H 101 7.931 7.931 8.450 -0.519 25944 1702 1 4 . 1 1 2 2 ASN N N 2 118.138 118.138 117.593 0.545 25944 1703 1 4 . 1 1 2 2 ASN HA H 2 4.638 4.638 4.615 0.023 25944 1704 1 4 . 1 1 2 2 ASN C C 2 174.541 174.541 173.603 0.938 25944 1705 1 4 . 1 1 2 2 ASN CA C 2 53.194 53.194 53.123 0.071 25944 1706 1 4 . 1 1 2 2 ASN CB C 2 39.191 39.191 37.514 1.677 25944 1707 1 4 . 1 1 2 2 ASN H H 2 8.331 8.331 8.381 -0.050 25944 1708 1 4 . 1 1 3 3 PHE N N 3 121.233 121.233 119.430 1.803 25944 1709 1 4 . 1 1 3 3 PHE HA H 3 4.418 4.418 4.599 -0.181 25944 1710 1 4 . 1 1 3 3 PHE C C 3 174.939 174.939 175.657 -0.718 25944 1711 1 4 . 1 1 3 3 PHE CA C 3 57.817 57.817 58.519 -0.702 25944 1712 1 4 . 1 1 3 3 PHE CB C 3 39.377 39.377 38.378 0.999 25944 1713 1 4 . 1 1 3 3 PHE H H 3 8.358 8.358 8.305 0.053 25944 1714 1 4 . 1 1 4 4 ASN N N 4 121.091 121.091 121.582 -0.491 25944 1715 1 4 . 1 1 4 4 ASN HA H 4 4.614 4.614 4.826 -0.212 25944 1716 1 4 . 1 1 4 4 ASN C C 4 175.107 175.107 173.943 1.164 25944 1717 1 4 . 1 1 4 4 ASN CA C 4 52.869 52.869 52.296 0.573 25944 1718 1 4 . 1 1 4 4 ASN CB C 4 38.853 38.853 41.570 -2.717 25944 1719 1 4 . 1 1 4 4 ASN H H 4 8.333 8.333 8.384 -0.051 25944 1720 1 4 . 1 1 5 5 LEU N N 5 123.882 123.882 118.776 5.106 25944 1721 1 4 . 1 1 5 5 LEU HA H 5 4.597 4.597 4.947 -0.350 25944 1722 1 4 . 1 1 5 5 LEU C C 5 177.372 177.372 175.219 2.153 25944 1723 1 4 . 1 1 5 5 LEU CA C 5 56.030 56.030 53.075 2.955 25944 1724 1 4 . 1 1 5 5 LEU CB C 5 41.775 41.775 44.389 -2.614 25944 1725 1 4 . 1 1 5 5 LEU H H 5 8.259 8.259 8.290 -0.031 25944 1726 1 4 . 1 1 6 6 ALA N N 6 122.630 122.630 122.663 -0.033 25944 1727 1 4 . 1 1 6 6 ALA HA H 6 4.213 4.213 4.594 -0.381 25944 1728 1 4 . 1 1 6 6 ALA C C 6 178.088 178.088 176.679 1.409 25944 1729 1 4 . 1 1 6 6 ALA CA C 6 53.201 53.201 51.896 1.305 25944 1730 1 4 . 1 1 6 6 ALA CB C 6 18.533 18.533 20.310 -1.777 25944 1731 1 4 . 1 1 6 6 ALA H H 6 8.132 8.132 8.372 -0.240 25944 1732 1 4 . 1 1 7 7 SER N N 7 113.309 113.309 115.022 -1.713 25944 1733 1 4 . 1 1 7 7 SER HA H 7 4.333 4.333 4.470 -0.137 25944 1734 1 4 . 1 1 7 7 SER C C 7 174.347 174.347 173.761 0.586 25944 1735 1 4 . 1 1 7 7 SER CA C 7 58.244 58.244 58.046 0.198 25944 1736 1 4 . 1 1 7 7 SER CB C 7 63.655 63.655 64.108 -0.453 25944 1737 1 4 . 1 1 7 7 SER H H 7 7.866 7.866 8.053 -0.187 25944 1738 1 4 . 1 1 8 8 LEU N N 8 123.236 123.236 115.957 7.279 25944 1739 1 4 . 1 1 8 8 LEU HA H 8 4.156 4.156 4.855 -0.699 25944 1740 1 4 . 1 1 8 8 LEU C C 8 176.617 176.617 176.064 0.553 25944 1741 1 4 . 1 1 8 8 LEU CA C 8 55.368 55.368 54.334 1.034 25944 1742 1 4 . 1 1 8 8 LEU CB C 8 42.800 42.800 41.283 1.517 25944 1743 1 4 . 1 1 8 8 LEU H H 8 7.786 7.786 8.276 -0.490 25944 1744 1 4 . 1 1 9 9 ASN N N 9 120.087 120.087 121.141 -1.054 25944 1745 1 4 . 1 1 9 9 ASN HA H 9 4.502 4.502 4.726 -0.224 25944 1746 1 4 . 1 1 9 9 ASN C C 9 175.557 175.557 175.057 0.500 25944 1747 1 4 . 1 1 9 9 ASN CA C 9 52.922 52.922 53.360 -0.438 25944 1748 1 4 . 1 1 9 9 ASN CB C 9 38.529 38.529 38.196 0.333 25944 1749 1 4 . 1 1 9 9 ASN H H 9 8.127 8.127 7.878 0.249 25944 1750 1 4 . 1 1 10 10 GLU N N 10 121.943 121.943 121.596 0.347 25944 1751 1 4 . 1 1 10 10 GLU HA H 10 3.419 3.419 4.551 -1.132 25944 1752 1 4 . 1 1 10 10 GLU C C 10 176.176 176.176 175.824 0.352 25944 1753 1 4 . 1 1 10 10 GLU CA C 10 58.261 58.261 56.569 1.692 25944 1754 1 4 . 1 1 10 10 GLU CB C 10 29.371 29.371 29.778 -0.407 25944 1755 1 4 . 1 1 10 10 GLU H H 10 8.479 8.479 8.404 0.075 25944 1756 1 4 . 1 1 11 11 GLU N N 11 117.932 117.932 118.339 -0.407 25944 1757 1 4 . 1 1 11 11 GLU HA H 11 3.893 3.893 4.339 -0.446 25944 1758 1 4 . 1 1 11 11 GLU C C 11 178.292 178.292 175.866 2.426 25944 1759 1 4 . 1 1 11 11 GLU CA C 11 57.418 57.418 55.919 1.499 25944 1760 1 4 . 1 1 11 11 GLU CB C 11 28.967 28.967 29.211 -0.244 25944 1761 1 4 . 1 1 11 11 GLU H H 11 7.876 7.876 8.295 -0.419 25944 1762 1 4 . 1 1 12 12 MET N N 12 118.969 118.969 116.816 2.153 25944 1763 1 4 . 1 1 12 12 MET HA H 12 3.810 3.810 3.985 -0.175 25944 1764 1 4 . 1 1 12 12 MET C C 12 175.419 175.419 175.164 0.255 25944 1765 1 4 . 1 1 12 12 MET CA C 12 57.481 57.481 55.739 1.742 25944 1766 1 4 . 1 1 12 12 MET CB C 12 32.160 32.160 32.699 -0.539 25944 1767 1 4 . 1 1 12 12 MET H H 12 7.524 7.524 7.559 -0.035 25944 1768 1 4 . 1 1 13 13 PHE N N 13 113.294 113.294 114.103 -0.809 25944 1769 1 4 . 1 1 13 13 PHE HA H 13 4.463 4.463 4.465 -0.002 25944 1770 1 4 . 1 1 13 13 PHE C C 13 176.009 176.009 174.852 1.157 25944 1771 1 4 . 1 1 13 13 PHE CA C 13 54.932 54.932 57.494 -2.562 25944 1772 1 4 . 1 1 13 13 PHE CB C 13 37.856 37.856 39.348 -1.492 25944 1773 1 4 . 1 1 13 13 PHE H H 13 6.975 6.975 6.952 0.023 25944 1774 1 4 . 1 1 14 14 ASN N N 14 116.706 116.706 119.143 -2.437 25944 1775 1 4 . 1 1 14 14 ASN HA H 14 4.778 4.778 4.945 -0.167 25944 1776 1 4 . 1 1 14 14 ASN C C 14 176.202 176.202 176.687 -0.485 25944 1777 1 4 . 1 1 14 14 ASN CA C 14 52.333 52.333 53.320 -0.987 25944 1778 1 4 . 1 1 14 14 ASN CB C 14 36.421 36.421 38.239 -1.818 25944 1779 1 4 . 1 1 14 14 ASN H H 14 7.211 7.211 8.012 -0.801 25944 1780 1 4 . 1 1 15 15 VAL N N 15 121.352 121.352 117.324 4.028 25944 1781 1 4 . 1 1 15 15 VAL HA H 15 3.642 3.642 3.591 0.051 25944 1782 1 4 . 1 1 15 15 VAL C C 15 177.523 177.523 176.017 1.506 25944 1783 1 4 . 1 1 15 15 VAL CA C 15 63.407 63.407 64.490 -1.083 25944 1784 1 4 . 1 1 15 15 VAL CB C 15 31.120 31.120 31.388 -0.268 25944 1785 1 4 . 1 1 15 15 VAL H H 15 7.971 7.971 8.741 -0.770 25944 1786 1 4 . 1 1 16 16 ALA N N 16 124.345 124.345 119.266 5.079 25944 1787 1 4 . 1 1 16 16 ALA HA H 16 4.170 4.170 4.183 -0.013 25944 1788 1 4 . 1 1 16 16 ALA C C 16 178.288 178.288 177.534 0.754 25944 1789 1 4 . 1 1 16 16 ALA CA C 16 54.170 54.170 53.535 0.635 25944 1790 1 4 . 1 1 16 16 ALA CB C 16 17.945 17.945 18.768 -0.823 25944 1791 1 4 . 1 1 16 16 ALA H H 16 8.414 8.414 8.189 0.225 25944 1792 1 4 . 1 1 17 17 ALA N N 17 116.960 116.960 119.987 -3.027 25944 1793 1 4 . 1 1 17 17 ALA HA H 17 4.309 4.309 4.610 -0.301 25944 1794 1 4 . 1 1 17 17 ALA C C 17 177.660 177.660 177.316 0.344 25944 1795 1 4 . 1 1 17 17 ALA CA C 17 51.666 51.666 51.794 -0.128 25944 1796 1 4 . 1 1 17 17 ALA CB C 17 19.331 19.331 20.409 -1.078 25944 1797 1 4 . 1 1 17 17 ALA H H 17 7.099 7.099 8.060 -0.961 25944 1798 1 4 . 1 1 18 18 LEU N N 18 119.640 119.640 119.405 0.235 25944 1799 1 4 . 1 1 18 18 LEU HA H 18 4.479 4.479 4.628 -0.149 25944 1800 1 4 . 1 1 18 18 LEU C C 18 176.424 176.424 175.626 0.798 25944 1801 1 4 . 1 1 18 18 LEU CA C 18 54.960 54.960 54.842 0.118 25944 1802 1 4 . 1 1 18 18 LEU CB C 18 42.000 42.000 43.491 -1.491 25944 1803 1 4 . 1 1 18 18 LEU H H 18 7.256 7.256 7.678 -0.422 25944 1804 1 4 . 1 1 19 19 THR N N 19 110.240 110.240 114.005 -3.765 25944 1805 1 4 . 1 1 19 19 THR HA H 19 4.389 4.389 4.597 -0.208 25944 1806 1 4 . 1 1 19 19 THR C C 19 174.905 174.905 173.587 1.318 25944 1807 1 4 . 1 1 19 19 THR CA C 19 61.970 61.970 60.616 1.354 25944 1808 1 4 . 1 1 19 19 THR CB C 19 70.500 70.500 71.494 -0.994 25944 1809 1 4 . 1 1 19 19 THR H H 19 8.319 8.319 8.145 0.174 25944 1810 1 4 . 1 1 20 20 LYS N N 20 121.645 121.645 117.401 4.244 25944 1811 1 4 . 1 1 20 20 LYS HA H 20 4.724 4.724 4.013 0.711 25944 1812 1 4 . 1 1 20 20 LYS C C 20 177.100 177.100 176.802 0.298 25944 1813 1 4 . 1 1 20 20 LYS CA C 20 54.890 54.890 56.652 -1.762 25944 1814 1 4 . 1 1 20 20 LYS CB C 20 33.700 33.700 32.584 1.116 25944 1815 1 4 . 1 1 20 20 LYS H H 20 7.854 7.854 8.409 -0.555 25944 1816 1 4 . 1 1 21 21 ARG N N 21 126.200 126.200 121.573 4.627 25944 1817 1 4 . 1 1 21 21 ARG HA H 21 3.831 3.831 4.089 -0.258 25944 1818 1 4 . 1 1 21 21 ARG C C 21 178.431 178.431 177.867 0.564 25944 1819 1 4 . 1 1 21 21 ARG CA C 21 60.280 60.280 59.043 1.237 25944 1820 1 4 . 1 1 21 21 ARG CB C 21 30.600 30.600 30.234 0.366 25944 1821 1 4 . 1 1 21 21 ARG H H 21 9.171 9.171 8.735 0.436 25944 1822 1 4 . 1 1 22 22 ALA N N 22 118.555 118.555 122.305 -3.750 25944 1823 1 4 . 1 1 22 22 ALA HA H 22 4.053 4.053 4.075 -0.022 25944 1824 1 4 . 1 1 22 22 ALA C C 22 180.573 180.573 179.687 0.886 25944 1825 1 4 . 1 1 22 22 ALA CA C 22 55.480 55.480 55.082 0.398 25944 1826 1 4 . 1 1 22 22 ALA CB C 22 18.700 18.700 17.890 0.810 25944 1827 1 4 . 1 1 22 22 ALA H H 22 8.982 8.982 8.191 0.791 25944 1828 1 4 . 1 1 23 23 ASP N N 23 116.363 116.363 118.940 -2.577 25944 1829 1 4 . 1 1 23 23 ASP HA H 23 4.455 4.455 4.401 0.054 25944 1830 1 4 . 1 1 23 23 ASP C C 23 178.418 178.418 178.069 0.349 25944 1831 1 4 . 1 1 23 23 ASP CA C 23 56.697 56.697 56.660 0.036 25944 1832 1 4 . 1 1 23 23 ASP CB C 23 41.260 41.260 40.580 0.680 25944 1833 1 4 . 1 1 23 23 ASP H H 23 6.880 6.880 8.435 -1.555 25944 1834 1 4 . 1 1 24 24 ALA N N 24 124.072 124.072 122.106 1.966 25944 1835 1 4 . 1 1 24 24 ALA HA H 24 4.307 4.307 4.178 0.129 25944 1836 1 4 . 1 1 24 24 ALA C C 24 178.301 178.301 179.068 -0.767 25944 1837 1 4 . 1 1 24 24 ALA CA C 24 55.376 55.376 55.362 0.014 25944 1838 1 4 . 1 1 24 24 ALA CB C 24 17.900 17.900 18.570 -0.670 25944 1839 1 4 . 1 1 24 24 ALA H H 24 7.882 7.882 7.717 0.165 25944 1840 1 4 . 1 1 25 25 LYS N N 25 118.064 118.064 119.245 -1.181 25944 1841 1 4 . 1 1 25 25 LYS HA H 25 3.748 3.748 3.904 -0.156 25944 1842 1 4 . 1 1 25 25 LYS C C 25 177.149 177.149 178.612 -1.463 25944 1843 1 4 . 1 1 25 25 LYS CA C 25 60.613 60.613 59.187 1.426 25944 1844 1 4 . 1 1 25 25 LYS CB C 25 32.433 32.433 32.038 0.394 25944 1845 1 4 . 1 1 25 25 LYS H H 25 8.799 8.799 8.312 0.487 25944 1846 1 4 . 1 1 26 26 LYS N N 26 116.995 116.995 118.208 -1.213 25944 1847 1 4 . 1 1 26 26 LYS HA H 26 3.919 3.919 4.169 -0.250 25944 1848 1 4 . 1 1 26 26 LYS C C 26 179.262 179.262 178.383 0.879 25944 1849 1 4 . 1 1 26 26 LYS CA C 26 59.980 59.980 58.962 1.018 25944 1850 1 4 . 1 1 26 26 LYS CB C 26 32.370 32.370 32.421 -0.051 25944 1851 1 4 . 1 1 26 26 LYS H H 26 7.507 7.507 7.630 -0.123 25944 1852 1 4 . 1 1 27 27 LEU N N 27 118.319 118.319 119.088 -0.769 25944 1853 1 4 . 1 1 27 27 LEU HA H 27 4.387 4.387 4.377 0.010 25944 1854 1 4 . 1 1 27 27 LEU C C 27 178.187 178.187 178.579 -0.392 25944 1855 1 4 . 1 1 27 27 LEU CA C 27 57.928 57.928 56.759 1.169 25944 1856 1 4 . 1 1 27 27 LEU CB C 27 40.941 40.941 42.733 -1.792 25944 1857 1 4 . 1 1 27 27 LEU H H 27 7.359 7.359 7.796 -0.437 25944 1858 1 4 . 1 1 28 28 ALA N N 28 121.257 121.257 121.750 -0.493 25944 1859 1 4 . 1 1 28 28 ALA HA H 28 3.677 3.677 4.303 -0.626 25944 1860 1 4 . 1 1 28 28 ALA C C 28 179.000 179.000 178.692 0.308 25944 1861 1 4 . 1 1 28 28 ALA CA C 28 56.364 56.364 54.853 1.511 25944 1862 1 4 . 1 1 28 28 ALA CB C 28 16.138 16.138 18.192 -2.054 25944 1863 1 4 . 1 1 28 28 ALA H H 28 8.571 8.571 8.687 -0.116 25944 1864 1 4 . 1 1 29 29 LYS N N 29 114.495 114.495 116.801 -2.306 25944 1865 1 4 . 1 1 29 29 LYS HA H 29 3.834 3.834 3.988 -0.154 25944 1866 1 4 . 1 1 29 29 LYS C C 29 180.597 180.597 177.475 3.122 25944 1867 1 4 . 1 1 29 29 LYS CA C 29 60.073 60.073 58.872 1.201 25944 1868 1 4 . 1 1 29 29 LYS CB C 29 32.334 32.334 32.013 0.321 25944 1869 1 4 . 1 1 29 29 LYS H H 29 8.312 8.312 7.916 0.396 25944 1870 1 4 . 1 1 30 30 GLN N N 30 119.983 119.983 116.337 3.646 25944 1871 1 4 . 1 1 30 30 GLN HA H 30 4.120 4.120 4.376 -0.256 25944 1872 1 4 . 1 1 30 30 GLN C C 30 179.114 179.114 177.646 1.468 25944 1873 1 4 . 1 1 30 30 GLN CA C 30 59.063 59.063 57.102 1.961 25944 1874 1 4 . 1 1 30 30 GLN CB C 30 29.010 29.010 29.381 -0.371 25944 1875 1 4 . 1 1 30 30 GLN H H 30 7.793 7.793 7.475 0.318 25944 1876 1 4 . 1 1 31 31 LEU N N 31 117.633 117.633 120.581 -2.948 25944 1877 1 4 . 1 1 31 31 LEU HA H 31 3.927 3.927 4.409 -0.482 25944 1878 1 4 . 1 1 31 31 LEU C C 31 178.747 178.747 177.332 1.415 25944 1879 1 4 . 1 1 31 31 LEU CA C 31 57.608 57.608 56.503 1.105 25944 1880 1 4 . 1 1 31 31 LEU CB C 31 41.099 41.099 42.305 -1.206 25944 1881 1 4 . 1 1 31 31 LEU H H 31 8.348 8.348 7.489 0.859 25944 1882 1 4 . 1 1 32 32 MET N N 32 115.087 115.087 115.458 -0.371 25944 1883 1 4 . 1 1 32 32 MET HA H 32 4.291 4.291 4.662 -0.371 25944 1884 1 4 . 1 1 32 32 MET C C 32 178.337 178.337 177.598 0.739 25944 1885 1 4 . 1 1 32 32 MET CA C 32 56.190 56.190 56.601 -0.411 25944 1886 1 4 . 1 1 32 32 MET CB C 32 33.237 33.237 34.367 -1.131 25944 1887 1 4 . 1 1 32 32 MET H H 32 8.083 8.083 7.603 0.480 25944 1888 1 4 . 1 1 33 33 GLY N N 33 102.979 102.979 107.692 -4.713 25944 1889 1 4 . 1 1 33 33 GLY C C 33 173.716 173.716 174.341 -0.625 25944 1890 1 4 . 1 1 33 33 GLY CA C 33 45.341 45.341 45.096 0.245 25944 1891 1 4 . 1 1 33 33 GLY H H 33 7.514 7.514 8.179 -0.665 25944 1892 1 4 . 1 1 34 34 ASN N N 34 117.931 117.931 119.763 -1.832 25944 1893 1 4 . 1 1 34 34 ASN HA H 34 4.911 4.911 5.006 -0.095 25944 1894 1 4 . 1 1 34 34 ASN C C 34 173.721 173.721 174.770 -1.049 25944 1895 1 4 . 1 1 34 34 ASN CA C 34 52.465 52.465 52.458 0.007 25944 1896 1 4 . 1 1 34 34 ASN CB C 34 39.303 39.303 40.367 -1.064 25944 1897 1 4 . 1 1 34 34 ASN H H 34 7.176 7.176 7.613 -0.437 25944 1898 1 4 . 1 1 35 35 ASP N N 35 125.367 125.367 125.867 -0.500 25944 1899 1 4 . 1 1 35 35 ASP HA H 35 4.396 4.396 4.472 -0.076 25944 1900 1 4 . 1 1 35 35 ASP C C 35 177.810 177.810 177.618 0.192 25944 1901 1 4 . 1 1 35 35 ASP CA C 35 57.193 57.193 57.001 0.192 25944 1902 1 4 . 1 1 35 35 ASP CB C 35 40.007 40.007 41.006 -0.999 25944 1903 1 4 . 1 1 35 35 ASP H H 35 8.857 8.857 8.986 -0.129 25944 1904 1 4 . 1 1 36 36 LYS N N 36 119.269 119.269 120.647 -1.378 25944 1905 1 4 . 1 1 36 36 LYS HA H 36 4.146 4.146 4.112 0.034 25944 1906 1 4 . 1 1 36 36 LYS C C 36 179.704 179.704 178.130 1.574 25944 1907 1 4 . 1 1 36 36 LYS CA C 36 58.391 58.391 59.146 -0.755 25944 1908 1 4 . 1 1 36 36 LYS CB C 36 31.904 31.904 32.312 -0.408 25944 1909 1 4 . 1 1 36 36 LYS H H 36 7.972 7.972 8.054 -0.082 25944 1910 1 4 . 1 1 37 37 LEU N N 37 122.961 122.961 119.012 3.949 25944 1911 1 4 . 1 1 37 37 LEU HA H 37 3.938 3.938 4.278 -0.340 25944 1912 1 4 . 1 1 37 37 LEU C C 37 177.699 177.699 178.083 -0.384 25944 1913 1 4 . 1 1 37 37 LEU CA C 37 56.863 56.863 57.207 -0.344 25944 1914 1 4 . 1 1 37 37 LEU CB C 37 42.072 42.072 41.912 0.160 25944 1915 1 4 . 1 1 37 37 LEU H H 37 7.370 7.370 7.947 -0.577 25944 1916 1 4 . 1 1 38 38 ALA N N 38 120.603 120.603 121.534 -0.931 25944 1917 1 4 . 1 1 38 38 ALA HA H 38 3.270 3.270 3.872 -0.602 25944 1918 1 4 . 1 1 38 38 ALA C C 38 176.450 176.450 179.211 -2.761 25944 1919 1 4 . 1 1 38 38 ALA CA C 38 55.268 55.268 55.344 -0.076 25944 1920 1 4 . 1 1 38 38 ALA CB C 38 16.619 16.619 17.811 -1.192 25944 1921 1 4 . 1 1 38 38 ALA H H 38 7.918 7.918 8.041 -0.123 25944 1922 1 4 . 1 1 39 39 ASP N N 39 113.981 113.981 118.976 -4.995 25944 1923 1 4 . 1 1 39 39 ASP HA H 39 4.082 4.082 4.589 -0.507 25944 1924 1 4 . 1 1 39 39 ASP C C 39 178.258 178.258 177.797 0.461 25944 1925 1 4 . 1 1 39 39 ASP CA C 39 57.308 57.308 57.613 -0.305 25944 1926 1 4 . 1 1 39 39 ASP CB C 39 40.859 40.859 40.695 0.164 25944 1927 1 4 . 1 1 39 39 ASP H H 39 7.594 7.594 7.963 -0.369 25944 1928 1 4 . 1 1 40 40 ALA N N 40 119.475 119.475 120.960 -1.485 25944 1929 1 4 . 1 1 40 40 ALA HA H 40 3.831 3.831 4.149 -0.318 25944 1930 1 4 . 1 1 40 40 ALA C C 40 179.459 179.459 178.730 0.729 25944 1931 1 4 . 1 1 40 40 ALA CA C 40 54.590 54.590 53.843 0.747 25944 1932 1 4 . 1 1 40 40 ALA CB C 40 17.241 17.241 18.848 -1.607 25944 1933 1 4 . 1 1 40 40 ALA H H 40 6.934 6.934 7.766 -0.832 25944 1934 1 4 . 1 1 41 41 ALA N N 41 124.918 124.918 123.571 1.347 25944 1935 1 4 . 1 1 41 41 ALA HA H 41 1.920 1.920 2.779 -0.859 25944 1936 1 4 . 1 1 41 41 ALA C C 41 177.309 177.309 177.869 -0.560 25944 1937 1 4 . 1 1 41 41 ALA CA C 41 54.473 54.473 54.057 0.416 25944 1938 1 4 . 1 1 41 41 ALA CB C 41 16.412 16.412 18.212 -1.800 25944 1939 1 4 . 1 1 41 41 ALA H H 41 7.384 7.384 7.586 -0.202 25944 1940 1 4 . 1 1 42 42 TYR N N 42 115.340 115.340 117.199 -1.859 25944 1941 1 4 . 1 1 42 42 TYR HA H 42 4.164 4.164 4.370 -0.206 25944 1942 1 4 . 1 1 42 42 TYR C C 42 179.228 179.228 177.615 1.613 25944 1943 1 4 . 1 1 42 42 TYR CA C 42 58.300 58.300 60.795 -2.495 25944 1944 1 4 . 1 1 42 42 TYR CB C 42 35.365 35.365 37.787 -2.422 25944 1945 1 4 . 1 1 42 42 TYR H H 42 7.639 7.639 8.321 -0.682 25944 1946 1 4 . 1 1 43 43 ILE N N 43 117.754 117.754 118.171 -0.417 25944 1947 1 4 . 1 1 43 43 ILE HA H 43 3.839 3.839 3.351 0.488 25944 1948 1 4 . 1 1 43 43 ILE C C 43 178.090 178.090 177.166 0.924 25944 1949 1 4 . 1 1 43 43 ILE CA C 43 64.721 64.721 63.157 1.564 25944 1950 1 4 . 1 1 43 43 ILE CB C 43 39.511 39.511 37.620 1.891 25944 1951 1 4 . 1 1 43 43 ILE H H 43 7.321 7.321 6.984 0.337 25944 1952 1 4 . 1 1 44 44 TRP N N 44 124.439 124.439 122.603 1.836 25944 1953 1 4 . 1 1 44 44 TRP HA H 44 4.049 4.049 4.186 -0.137 25944 1954 1 4 . 1 1 44 44 TRP C C 44 181.073 181.073 177.626 3.447 25944 1955 1 4 . 1 1 44 44 TRP CA C 44 63.008 63.008 61.129 1.879 25944 1956 1 4 . 1 1 44 44 TRP CB C 44 30.286 30.286 29.265 1.021 25944 1957 1 4 . 1 1 44 44 TRP H H 44 8.016 8.016 7.071 0.945 25944 1958 1 4 . 1 1 45 45 TRP N N 45 121.640 121.640 117.624 4.016 25944 1959 1 4 . 1 1 45 45 TRP HA H 45 4.537 4.537 4.161 0.376 25944 1960 1 4 . 1 1 45 45 TRP C C 45 178.515 178.515 178.973 -0.458 25944 1961 1 4 . 1 1 45 45 TRP CA C 45 58.862 58.862 60.123 -1.261 25944 1962 1 4 . 1 1 45 45 TRP CB C 45 28.572 28.572 28.581 -0.009 25944 1963 1 4 . 1 1 45 45 TRP H H 45 10.044 10.044 7.993 2.051 25944 1964 1 4 . 1 1 46 46 GLN N N 46 120.394 120.394 118.384 2.010 25944 1965 1 4 . 1 1 46 46 GLN HA H 46 4.276 4.276 3.830 0.446 25944 1966 1 4 . 1 1 46 46 GLN C C 46 180.992 180.992 178.254 2.738 25944 1967 1 4 . 1 1 46 46 GLN CA C 46 59.809 59.809 58.384 1.425 25944 1968 1 4 . 1 1 46 46 GLN CB C 46 26.732 26.732 27.525 -0.793 25944 1969 1 4 . 1 1 46 46 GLN H H 46 8.652 8.652 8.185 0.467 25944 1970 1 4 . 1 1 47 47 HIS N N 47 118.999 118.999 117.172 1.827 25944 1971 1 4 . 1 1 47 47 HIS HA H 47 4.304 4.304 4.210 0.094 25944 1972 1 4 . 1 1 47 47 HIS C C 47 175.745 175.745 175.964 -0.219 25944 1973 1 4 . 1 1 47 47 HIS CA C 47 53.405 53.405 59.075 -5.670 25944 1974 1 4 . 1 1 47 47 HIS CB C 47 28.839 28.839 29.537 -0.698 25944 1975 1 4 . 1 1 47 47 HIS H H 47 8.640 8.640 7.623 1.017 25944 1976 1 4 . 1 1 48 48 ASN N N 48 115.577 115.577 115.251 0.326 25944 1977 1 4 . 1 1 48 48 ASN HA H 48 4.387 4.387 4.662 -0.275 25944 1978 1 4 . 1 1 48 48 ASN C C 48 172.379 172.379 174.277 -1.898 25944 1979 1 4 . 1 1 48 48 ASN CA C 48 53.783 53.783 52.805 0.978 25944 1980 1 4 . 1 1 48 48 ASN CB C 48 38.582 38.582 38.814 -0.232 25944 1981 1 4 . 1 1 48 48 ASN H H 48 7.851 7.851 7.587 0.264 25944 1982 1 4 . 1 1 49 49 ARG N N 49 114.746 114.746 116.224 -1.478 25944 1983 1 4 . 1 1 49 49 ARG HA H 49 3.837 3.837 3.939 -0.102 25944 1984 1 4 . 1 1 49 49 ARG C C 49 175.105 175.105 174.881 0.224 25944 1985 1 4 . 1 1 49 49 ARG CA C 49 57.252 57.252 56.584 0.668 25944 1986 1 4 . 1 1 49 49 ARG CB C 49 26.100 26.100 27.225 -1.125 25944 1987 1 4 . 1 1 49 49 ARG H H 49 7.790 7.790 8.020 -0.230 25944 1988 1 4 . 1 1 50 50 VAL N N 50 120.612 120.612 118.579 2.033 25944 1989 1 4 . 1 1 50 50 VAL HA H 50 4.169 4.169 4.063 0.106 25944 1990 1 4 . 1 1 50 50 VAL C C 50 178.261 178.261 176.062 2.199 25944 1991 1 4 . 1 1 50 50 VAL CA C 50 63.272 63.272 61.707 1.565 25944 1992 1 4 . 1 1 50 50 VAL CB C 50 31.060 31.060 33.415 -2.355 25944 1993 1 4 . 1 1 50 50 VAL H H 50 8.556 8.556 7.628 0.928 25944 1994 1 4 . 1 1 51 51 THR N N 51 122.788 122.788 118.220 4.568 25944 1995 1 4 . 1 1 51 51 THR HA H 51 4.761 4.761 4.661 0.100 25944 1996 1 4 . 1 1 51 51 THR C C 51 176.097 176.097 175.623 0.474 25944 1997 1 4 . 1 1 51 51 THR CA C 51 60.823 60.823 59.438 1.385 25944 1998 1 4 . 1 1 51 51 THR CB C 51 71.497 71.497 70.729 0.768 25944 1999 1 4 . 1 1 51 51 THR H H 51 8.706 8.706 8.420 0.286 25944 2000 1 4 . 1 1 52 52 LEU N N 52 120.755 120.755 127.267 -6.512 25944 2001 1 4 . 1 1 52 52 LEU HA H 52 3.996 3.996 4.104 -0.108 25944 2002 1 4 . 1 1 52 52 LEU C C 52 179.154 179.154 178.489 0.665 25944 2003 1 4 . 1 1 52 52 LEU CA C 52 58.472 58.472 57.994 0.478 25944 2004 1 4 . 1 1 52 52 LEU CB C 52 40.238 40.238 41.446 -1.208 25944 2005 1 4 . 1 1 52 52 LEU H H 52 8.990 8.990 9.162 -0.172 25944 2006 1 4 . 1 1 53 53 ASP N N 53 117.391 117.391 117.327 0.064 25944 2007 1 4 . 1 1 53 53 ASP HA H 53 4.547 4.547 4.187 0.360 25944 2008 1 4 . 1 1 53 53 ASP C C 53 178.795 178.795 177.804 0.991 25944 2009 1 4 . 1 1 53 53 ASP CA C 53 57.267 57.267 57.484 -0.217 25944 2010 1 4 . 1 1 53 53 ASP CB C 53 40.462 40.462 40.695 -0.233 25944 2011 1 4 . 1 1 53 53 ASP H H 53 8.204 8.204 7.828 0.376 25944 2012 1 4 . 1 1 54 54 GLN N N 54 119.886 119.886 119.097 0.789 25944 2013 1 4 . 1 1 54 54 GLN C C 54 179.913 179.913 178.205 1.708 25944 2014 1 4 . 1 1 54 54 GLN CA C 54 59.022 59.022 58.651 0.371 25944 2015 1 4 . 1 1 54 54 GLN CB C 54 29.100 29.100 28.992 0.108 25944 2016 1 4 . 1 1 54 54 GLN H H 54 7.761 7.761 7.628 0.133 25944 2017 1 4 . 1 1 55 55 ILE N N 55 121.501 121.501 120.309 1.192 25944 2018 1 4 . 1 1 55 55 ILE C C 55 177.425 177.425 178.001 -0.576 25944 2019 1 4 . 1 1 55 55 ILE CA C 55 61.603 61.603 63.869 -2.266 25944 2020 1 4 . 1 1 55 55 ILE CB C 55 33.900 33.900 36.458 -2.558 25944 2021 1 4 . 1 1 55 55 ILE H H 55 7.864 7.864 7.610 0.254 25944 2022 1 4 . 1 1 56 56 ASP N N 56 122.017 122.017 118.929 3.088 25944 2023 1 4 . 1 1 56 56 ASP HA H 56 4.337 4.337 3.147 1.190 25944 2024 1 4 . 1 1 56 56 ASP C C 56 177.692 177.692 178.350 -0.658 25944 2025 1 4 . 1 1 56 56 ASP CA C 56 58.337 58.337 56.940 1.397 25944 2026 1 4 . 1 1 56 56 ASP CB C 56 42.299 42.299 40.248 2.051 25944 2027 1 4 . 1 1 56 56 ASP H H 56 8.840 8.840 8.359 0.481 25944 2028 1 4 . 1 1 57 57 THR N N 57 114.652 114.652 115.078 -0.426 25944 2029 1 4 . 1 1 57 57 THR HA H 57 4.239 4.239 4.097 0.142 25944 2030 1 4 . 1 1 57 57 THR C C 57 176.138 176.138 175.675 0.463 25944 2031 1 4 . 1 1 57 57 THR CA C 57 67.433 67.433 64.703 2.730 25944 2032 1 4 . 1 1 57 57 THR CB C 57 68.636 68.636 69.132 -0.496 25944 2033 1 4 . 1 1 57 57 THR H H 57 8.148 8.148 7.516 0.632 25944 2034 1 4 . 1 1 58 58 PHE N N 58 124.453 124.453 122.964 1.489 25944 2035 1 4 . 1 1 58 58 PHE HA H 58 4.598 4.598 4.260 0.338 25944 2036 1 4 . 1 1 58 58 PHE C C 58 176.122 176.122 175.594 0.528 25944 2037 1 4 . 1 1 58 58 PHE CA C 58 59.150 59.150 60.407 -1.258 25944 2038 1 4 . 1 1 58 58 PHE CB C 58 38.571 38.571 39.221 -0.650 25944 2039 1 4 . 1 1 58 58 PHE H H 58 7.650 7.650 7.562 0.088 25944 2040 1 4 . 1 1 59 59 LEU N N 59 120.652 120.652 119.721 0.931 25944 2041 1 4 . 1 1 59 59 LEU HA H 59 3.423 3.423 3.369 0.054 25944 2042 1 4 . 1 1 59 59 LEU C C 59 179.603 179.603 178.371 1.232 25944 2043 1 4 . 1 1 59 59 LEU CA C 59 57.710 57.710 57.756 -0.046 25944 2044 1 4 . 1 1 59 59 LEU CB C 59 39.800 39.800 41.911 -2.111 25944 2045 1 4 . 1 1 59 59 LEU H H 59 8.543 8.543 8.535 0.008 25944 2046 1 4 . 1 1 60 60 LYS N N 60 119.870 119.870 118.634 1.236 25944 2047 1 4 . 1 1 60 60 LYS HA H 60 3.563 3.563 3.790 -0.227 25944 2048 1 4 . 1 1 60 60 LYS C C 60 178.258 178.258 177.946 0.312 25944 2049 1 4 . 1 1 60 60 LYS CA C 60 59.797 59.797 59.270 0.527 25944 2050 1 4 . 1 1 60 60 LYS CB C 60 32.464 32.464 32.263 0.201 25944 2051 1 4 . 1 1 60 60 LYS H H 60 8.105 8.105 7.202 0.903 25944 2052 1 4 . 1 1 61 61 LEU N N 61 120.600 120.600 116.348 4.252 25944 2053 1 4 . 1 1 61 61 LEU HA H 61 4.117 4.117 4.003 0.114 25944 2054 1 4 . 1 1 61 61 LEU C C 61 178.029 178.029 178.070 -0.041 25944 2055 1 4 . 1 1 61 61 LEU CA C 61 56.880 56.880 57.715 -0.835 25944 2056 1 4 . 1 1 61 61 LEU CB C 61 42.059 42.059 41.462 0.597 25944 2057 1 4 . 1 1 61 61 LEU H H 61 7.496 7.496 7.290 0.206 25944 2058 1 4 . 1 1 62 62 ALA N N 62 118.900 118.900 120.052 -1.152 25944 2059 1 4 . 1 1 62 62 ALA HA H 62 3.901 3.901 4.212 -0.311 25944 2060 1 4 . 1 1 62 62 ALA C C 62 178.505 178.505 178.096 0.409 25944 2061 1 4 . 1 1 62 62 ALA CA C 62 54.603 54.603 53.351 1.252 25944 2062 1 4 . 1 1 62 62 ALA CB C 62 19.400 19.400 19.140 0.260 25944 2063 1 4 . 1 1 62 62 ALA H H 62 7.827 7.827 7.704 0.123 25944 2064 1 4 . 1 1 63 63 SER N N 63 111.351 111.351 114.226 -2.875 25944 2065 1 4 . 1 1 63 63 SER HA H 63 3.390 3.390 4.613 -1.223 25944 2066 1 4 . 1 1 63 63 SER C C 63 170.257 170.257 174.445 -4.188 25944 2067 1 4 . 1 1 63 63 SER CA C 63 59.687 59.687 57.796 1.891 25944 2068 1 4 . 1 1 63 63 SER CB C 63 62.300 62.300 64.703 -2.403 25944 2069 1 4 . 1 1 63 63 SER H H 63 7.839 7.839 7.667 0.172 25944 2070 1 4 . 1 1 67 67 GLN N N 67 122.300 122.300 117.559 4.741 25944 2071 1 4 . 1 1 67 67 GLN HA H 67 4.009 4.009 4.021 -0.012 25944 2072 1 4 . 1 1 67 67 GLN C C 67 176.000 176.000 176.007 -0.007 25944 2073 1 4 . 1 1 67 67 GLN CA C 67 56.950 56.950 56.685 0.265 25944 2074 1 4 . 1 1 67 67 GLN CB C 67 26.500 26.500 26.993 -0.493 25944 2075 1 4 . 1 1 67 67 GLN H H 67 8.201 8.201 8.294 -0.093 25944 2076 1 4 . 1 1 68 68 GLY N N 68 105.200 105.200 104.589 0.611 25944 2077 1 4 . 1 1 68 68 GLY C C 68 174.914 174.914 174.424 0.490 25944 2078 1 4 . 1 1 68 68 GLY CA C 68 45.622 45.622 45.444 0.179 25944 2079 1 4 . 1 1 68 68 GLY H H 68 8.512 8.512 8.233 0.279 25944 2080 1 4 . 1 1 69 69 ALA N N 69 125.585 125.585 126.652 -1.067 25944 2081 1 4 . 1 1 69 69 ALA HA H 69 4.020 4.020 4.022 -0.002 25944 2082 1 4 . 1 1 69 69 ALA C C 69 180.176 180.176 179.179 0.997 25944 2083 1 4 . 1 1 69 69 ALA CA C 69 55.000 55.000 54.611 0.389 25944 2084 1 4 . 1 1 69 69 ALA CB C 69 18.200 18.200 18.965 -0.765 25944 2085 1 4 . 1 1 69 69 ALA H H 69 8.046 8.046 8.077 -0.031 25944 2086 1 4 . 1 1 70 70 LYS N N 70 116.500 116.500 119.177 -2.677 25944 2087 1 4 . 1 1 70 70 LYS HA H 70 3.923 3.923 4.016 -0.093 25944 2088 1 4 . 1 1 70 70 LYS C C 70 176.800 176.800 177.404 -0.604 25944 2089 1 4 . 1 1 70 70 LYS CA C 70 58.530 58.530 58.242 0.288 25944 2090 1 4 . 1 1 70 70 LYS H H 70 7.928 7.928 8.658 -0.730 25944 2091 1 4 . 1 1 71 71 TYR N N 71 116.400 116.400 117.687 -1.287 25944 2092 1 4 . 1 1 71 71 TYR HA H 71 5.173 5.173 4.326 0.847 25944 2093 1 4 . 1 1 71 71 TYR C C 71 175.800 175.800 176.325 -0.525 25944 2094 1 4 . 1 1 71 71 TYR CA C 71 55.810 55.810 59.327 -3.517 25944 2095 1 4 . 1 1 71 71 TYR CB C 71 40.500 40.500 38.019 2.481 25944 2096 1 4 . 1 1 71 71 TYR H H 71 7.465 7.465 8.099 -0.634 25944 2097 1 4 . 1 1 72 72 ASN N N 72 120.200 120.200 115.918 4.282 25944 2098 1 4 . 1 1 72 72 ASN HA H 72 4.421 4.421 4.078 0.343 25944 2099 1 4 . 1 1 72 72 ASN C C 72 176.000 176.000 177.246 -1.246 25944 2100 1 4 . 1 1 72 72 ASN CA C 72 56.600 56.600 54.775 1.825 25944 2101 1 4 . 1 1 72 72 ASN CB C 72 38.690 38.690 38.139 0.551 25944 2102 1 4 . 1 1 72 72 ASN H H 72 7.675 7.675 7.710 -0.035 25944 2103 1 4 . 1 1 73 73 GLN N N 73 119.800 119.800 121.284 -1.484 25944 2104 1 4 . 1 1 73 73 GLN HA H 73 4.212 4.212 4.089 0.123 25944 2105 1 4 . 1 1 73 73 GLN C C 73 178.600 178.600 177.556 1.044 25944 2106 1 4 . 1 1 73 73 GLN CA C 73 59.610 59.610 58.526 1.084 25944 2107 1 4 . 1 1 73 73 GLN CB C 73 29.460 29.460 28.442 1.018 25944 2108 1 4 . 1 1 73 73 GLN H H 73 9.111 9.111 7.316 1.795 25944 2109 1 4 . 1 1 74 74 ILE N N 74 119.200 119.200 116.268 2.932 25944 2110 1 4 . 1 1 74 74 ILE HA H 74 4.409 4.409 3.976 0.433 25944 2111 1 4 . 1 1 74 74 ILE C C 74 177.100 177.100 177.088 0.012 25944 2112 1 4 . 1 1 74 74 ILE CA C 74 63.410 63.410 62.833 0.577 25944 2113 1 4 . 1 1 74 74 ILE CB C 74 37.700 37.700 37.035 0.665 25944 2114 1 4 . 1 1 74 74 ILE H H 74 7.944 7.944 7.454 0.490 25944 2115 1 4 . 1 1 75 75 TYR N N 75 119.600 119.600 121.165 -1.565 25944 2116 1 4 . 1 1 75 75 TYR HA H 75 3.891 3.891 4.347 -0.456 25944 2117 1 4 . 1 1 75 75 TYR C C 75 176.800 176.800 176.684 0.116 25944 2118 1 4 . 1 1 75 75 TYR CA C 75 62.650 62.650 60.441 2.209 25944 2119 1 4 . 1 1 75 75 TYR CB C 75 38.950 38.950 39.338 -0.388 25944 2120 1 4 . 1 1 75 75 TYR H H 75 6.718 6.718 7.672 -0.954 25944 2121 1 4 . 1 1 76 76 ASN N N 76 115.900 115.900 118.881 -2.981 25944 2122 1 4 . 1 1 76 76 ASN HA H 76 4.385 4.385 4.368 0.017 25944 2123 1 4 . 1 1 76 76 ASN C C 76 178.600 178.600 177.125 1.475 25944 2124 1 4 . 1 1 76 76 ASN CA C 76 56.310 56.310 56.604 -0.294 25944 2125 1 4 . 1 1 76 76 ASN H H 76 8.901 8.901 8.083 0.818 25944 2126 1 4 . 1 1 77 77 SER N N 77 117.000 117.000 115.737 1.263 25944 2127 1 4 . 1 1 77 77 SER HA H 77 4.219 4.219 4.052 0.167 25944 2128 1 4 . 1 1 77 77 SER C C 77 176.800 176.800 176.620 0.180 25944 2129 1 4 . 1 1 77 77 SER CA C 77 62.600 62.600 61.665 0.935 25944 2130 1 4 . 1 1 77 77 SER H H 77 8.512 8.512 7.766 0.746 25944 2131 1 4 . 1 1 78 78 TYR N N 78 125.400 125.400 123.089 2.311 25944 2132 1 4 . 1 1 78 78 TYR HA H 78 4.379 4.379 4.549 -0.170 25944 2133 1 4 . 1 1 78 78 TYR C C 78 176.600 176.600 176.821 -0.221 25944 2134 1 4 . 1 1 78 78 TYR CA C 78 59.800 59.800 61.075 -1.275 25944 2135 1 4 . 1 1 78 78 TYR CB C 78 37.200 37.200 38.800 -1.600 25944 2136 1 4 . 1 1 78 78 TYR H H 78 8.299 8.299 8.147 0.152 25944 2137 1 4 . 1 1 79 79 MET N N 79 118.400 118.400 117.966 0.434 25944 2138 1 4 . 1 1 79 79 MET HA H 79 3.421 3.421 3.760 -0.339 25944 2139 1 4 . 1 1 79 79 MET C C 79 178.400 178.400 178.480 -0.080 25944 2140 1 4 . 1 1 79 79 MET CA C 79 60.400 60.400 59.090 1.310 25944 2141 1 4 . 1 1 79 79 MET CB C 79 32.750 32.750 32.568 0.182 25944 2142 1 4 . 1 1 79 79 MET H H 79 8.264 8.264 7.638 0.626 25944 2143 1 4 . 1 1 80 80 MET N N 80 117.172 117.172 116.482 0.690 25944 2144 1 4 . 1 1 80 80 MET HA H 80 4.136 4.136 4.167 -0.031 25944 2145 1 4 . 1 1 80 80 MET C C 80 179.418 179.418 177.427 1.991 25944 2146 1 4 . 1 1 80 80 MET CA C 80 58.419 58.419 57.411 1.008 25944 2147 1 4 . 1 1 80 80 MET CB C 80 32.400 32.400 32.299 0.101 25944 2148 1 4 . 1 1 80 80 MET H H 80 7.907 7.907 8.319 -0.412 25944 2149 1 4 . 1 1 81 81 HIS N N 81 121.510 121.510 118.193 3.317 25944 2150 1 4 . 1 1 81 81 HIS HA H 81 4.123 4.123 4.251 -0.128 25944 2151 1 4 . 1 1 81 81 HIS C C 81 177.339 177.339 177.991 -0.652 25944 2152 1 4 . 1 1 81 81 HIS CA C 81 60.130 60.130 59.258 0.872 25944 2153 1 4 . 1 1 81 81 HIS CB C 81 29.556 29.556 30.061 -0.505 25944 2154 1 4 . 1 1 81 81 HIS H H 81 8.115 8.115 7.550 0.565 25944 2155 1 4 . 1 1 82 82 LEU N N 82 117.015 117.015 117.214 -0.199 25944 2156 1 4 . 1 1 82 82 LEU HA H 82 3.856 3.856 4.170 -0.314 25944 2157 1 4 . 1 1 82 82 LEU C C 82 178.330 178.330 177.882 0.448 25944 2158 1 4 . 1 1 82 82 LEU CA C 82 56.000 56.000 55.981 0.019 25944 2159 1 4 . 1 1 82 82 LEU CB C 82 42.503 42.503 41.611 0.892 25944 2160 1 4 . 1 1 82 82 LEU H H 82 7.979 7.979 7.812 0.167 25944 2161 1 4 . 1 1 83 83 GLY N N 83 106.661 106.661 107.550 -0.889 25944 2162 1 4 . 1 1 83 83 GLY C C 83 174.964 174.964 174.950 0.014 25944 2163 1 4 . 1 1 83 83 GLY CA C 83 45.799 45.799 45.833 -0.034 25944 2164 1 4 . 1 1 83 83 GLY H H 83 7.755 7.755 7.793 -0.038 25944 2165 1 4 . 1 1 84 84 LEU N N 84 120.273 120.273 115.874 4.399 25944 2166 1 4 . 1 1 84 84 LEU HA H 84 4.399 4.399 4.770 -0.371 25944 2167 1 4 . 1 1 84 84 LEU C C 84 177.302 177.302 176.808 0.494 25944 2168 1 4 . 1 1 84 84 LEU CA C 84 55.048 55.048 53.212 1.837 25944 2169 1 4 . 1 1 84 84 LEU CB C 84 42.662 42.662 41.215 1.447 25944 2170 1 4 . 1 1 84 84 LEU H H 84 7.568 7.568 7.521 0.047 25944 2171 1 4 . 1 1 85 85 THR N N 85 111.602 111.602 115.482 -3.880 25944 2172 1 4 . 1 1 85 85 THR HA H 85 4.291 4.291 4.372 -0.081 25944 2173 1 4 . 1 1 85 85 THR C C 85 175.115 175.115 175.361 -0.246 25944 2174 1 4 . 1 1 85 85 THR CA C 85 62.122 62.122 62.707 -0.585 25944 2175 1 4 . 1 1 85 85 THR CB C 85 69.882 69.882 70.174 -0.292 25944 2176 1 4 . 1 1 85 85 THR H H 85 8.005 8.005 7.617 0.388 25944 2177 1 4 . 1 1 86 86 GLY N N 86 110.816 110.816 110.071 0.745 25944 2178 1 4 . 1 1 86 86 GLY C C 86 173.491 173.491 174.984 -1.493 25944 2179 1 4 . 1 1 86 86 GLY CA C 86 45.335 45.335 45.036 0.299 25944 2180 1 4 . 1 1 86 86 GLY H H 86 8.246 8.246 8.688 -0.442 25944 2181 1 4 . 1 1 87 87 TYR N N 87 119.845 119.845 120.810 -0.965 25944 2182 1 4 . 1 1 87 87 TYR HA H 87 4.505 4.505 4.250 0.255 25944 2183 1 4 . 1 1 87 87 TYR C C 87 175.166 175.166 176.498 -1.332 25944 2184 1 4 . 1 1 87 87 TYR CA C 87 58.010 58.010 60.143 -2.133 25944 2185 1 4 . 1 1 87 87 TYR CB C 87 39.058 39.058 38.880 0.178 25944 2186 1 4 . 1 1 87 87 TYR H H 87 7.935 7.935 7.984 -0.049 25944 2187 1 4 . 1 1 88 88 GLU N N 88 125.299 125.299 117.375 7.924 25944 2188 1 4 . 1 1 88 88 GLU HA H 88 4.517 4.517 4.674 -0.157 25944 2189 1 4 . 1 1 88 88 GLU C C 88 174.024 174.024 174.077 -0.053 25944 2190 1 4 . 1 1 88 88 GLU CA C 88 53.851 53.851 54.621 -0.770 25944 2191 1 4 . 1 1 88 88 GLU CB C 88 30.050 30.050 30.463 -0.413 25944 2192 1 4 . 1 1 88 88 GLU H H 88 8.205 8.205 8.610 -0.405 25944 2193 1 4 . 1 1 89 89 PRO HA H 89 4.302 4.302 4.610 -0.308 25944 2194 1 4 . 1 1 89 89 PRO C C 89 176.800 176.800 175.820 0.980 25944 2195 1 4 . 1 1 89 89 PRO CA C 89 63.237 63.237 63.176 0.061 25944 2196 1 4 . 1 1 89 89 PRO CB C 89 32.100 32.100 32.240 -0.140 25944 2197 1 4 . 1 1 90 90 ASN N N 90 118.411 118.411 117.255 1.156 25944 2198 1 4 . 1 1 90 90 ASN HA H 90 4.658 4.658 4.801 -0.143 25944 2199 1 4 . 1 1 90 90 ASN C C 90 175.462 175.462 174.539 0.923 25944 2200 1 4 . 1 1 90 90 ASN CA C 90 53.497 53.497 52.308 1.189 25944 2201 1 4 . 1 1 90 90 ASN CB C 90 38.809 38.809 39.825 -1.016 25944 2202 1 4 . 1 1 90 90 ASN H H 90 8.649 8.649 8.339 0.310 25944 2203 1 4 . 1 1 91 91 SER N N 91 116.049 116.049 116.277 -0.228 25944 2204 1 4 . 1 1 91 91 SER HA H 91 4.396 4.396 4.471 -0.075 25944 2205 1 4 . 1 1 91 91 SER C C 91 174.844 174.844 174.387 0.457 25944 2206 1 4 . 1 1 91 91 SER CA C 91 58.769 58.769 57.961 0.808 25944 2207 1 4 . 1 1 91 91 SER CB C 91 63.927 63.927 62.996 0.930 25944 2208 1 4 . 1 1 91 91 SER H H 91 8.255 8.255 8.503 -0.248 25944 2209 1 4 . 1 1 92 92 SER N N 92 117.736 117.736 120.611 -2.875 25944 2210 1 4 . 1 1 92 92 SER HA H 92 4.414 4.414 4.462 -0.048 25944 2211 1 4 . 1 1 92 92 SER C C 92 174.749 174.749 174.323 0.426 25944 2212 1 4 . 1 1 92 92 SER CA C 92 58.651 58.651 59.368 -0.717 25944 2213 1 4 . 1 1 92 92 SER CB C 92 63.952 63.952 64.103 -0.151 25944 2214 1 4 . 1 1 92 92 SER H H 92 8.399 8.399 8.121 0.278 25944 2215 1 4 . 1 1 93 93 SER N N 93 117.731 117.731 123.116 -5.385 25944 2216 1 4 . 1 1 93 93 SER HA H 93 4.437 4.437 4.676 -0.239 25944 2217 1 4 . 1 1 93 93 SER C C 93 174.918 174.918 173.177 1.741 25944 2218 1 4 . 1 1 93 93 SER CA C 93 58.696 58.696 58.181 0.515 25944 2219 1 4 . 1 1 93 93 SER CB C 93 63.822 63.822 63.327 0.495 25944 2220 1 4 . 1 1 93 93 SER H H 93 8.308 8.308 8.629 -0.321 25944 2221 1 4 . 1 1 94 94 VAL N N 94 121.028 121.028 121.343 -0.315 25944 2222 1 4 . 1 1 94 94 VAL HA H 94 4.020 4.020 4.280 -0.260 25944 2223 1 4 . 1 1 94 94 VAL C C 94 176.301 176.301 174.925 1.376 25944 2224 1 4 . 1 1 94 94 VAL CA C 94 63.176 63.176 62.470 0.706 25944 2225 1 4 . 1 1 94 94 VAL CB C 94 32.797 32.797 33.470 -0.673 25944 2226 1 4 . 1 1 94 94 VAL H H 94 8.026 8.026 7.665 0.361 25944 2227 1 4 . 1 1 95 95 ASP N N 95 122.997 122.997 125.179 -2.182 25944 2228 1 4 . 1 1 95 95 ASP HA H 95 4.537 4.537 4.754 -0.217 25944 2229 1 4 . 1 1 95 95 ASP C C 95 176.937 176.937 176.104 0.833 25944 2230 1 4 . 1 1 95 95 ASP CA C 95 54.806 54.806 54.188 0.618 25944 2231 1 4 . 1 1 95 95 ASP CB C 95 41.014 41.014 40.945 0.069 25944 2232 1 4 . 1 1 95 95 ASP H H 95 8.274 8.274 8.662 -0.388 25944 2233 1 4 . 1 1 96 96 LYS N N 96 121.796 121.796 119.419 2.377 25944 2234 1 4 . 1 1 96 96 LYS HA H 96 4.163 4.163 4.172 -0.009 25944 2235 1 4 . 1 1 96 96 LYS C C 96 177.534 177.534 178.033 -0.499 25944 2236 1 4 . 1 1 96 96 LYS CA C 96 57.500 57.500 58.706 -1.206 25944 2237 1 4 . 1 1 96 96 LYS CB C 96 32.171 32.171 32.236 -0.064 25944 2238 1 4 . 1 1 96 96 LYS H H 96 8.159 8.159 8.395 -0.236 25944 2239 1 4 . 1 1 97 97 LEU N N 97 121.703 121.703 117.505 4.198 25944 2240 1 4 . 1 1 97 97 LEU HA H 97 4.216 4.216 4.196 0.020 25944 2241 1 4 . 1 1 97 97 LEU C C 97 177.892 177.892 178.286 -0.394 25944 2242 1 4 . 1 1 97 97 LEU CA C 97 56.024 56.024 57.115 -1.091 25944 2243 1 4 . 1 1 97 97 LEU CB C 97 41.755 41.755 41.221 0.534 25944 2244 1 4 . 1 1 97 97 LEU H H 97 8.097 8.097 7.947 0.150 25944 2245 1 4 . 1 1 98 98 ALA N N 98 123.261 123.261 121.980 1.281 25944 2246 1 4 . 1 1 98 98 ALA HA H 98 4.158 4.158 4.159 -0.001 25944 2247 1 4 . 1 1 98 98 ALA C C 98 178.590 178.590 178.529 0.061 25944 2248 1 4 . 1 1 98 98 ALA CA C 98 53.201 53.201 54.166 -0.965 25944 2249 1 4 . 1 1 98 98 ALA CB C 98 18.643 18.643 18.163 0.480 25944 2250 1 4 . 1 1 98 98 ALA H H 98 7.998 7.998 8.304 -0.306 25944 2251 1 4 . 1 1 99 99 ALA N N 99 121.686 121.686 121.809 -0.123 25944 2252 1 4 . 1 1 99 99 ALA HA H 99 4.173 4.173 4.496 -0.323 25944 2253 1 4 . 1 1 99 99 ALA C C 99 178.303 178.303 176.100 2.203 25944 2254 1 4 . 1 1 99 99 ALA CA C 99 53.182 53.182 51.156 2.026 25944 2255 1 4 . 1 1 99 99 ALA CB C 99 18.638 18.638 17.943 0.695 25944 2256 1 4 . 1 1 99 99 ALA H H 99 8.009 8.009 7.537 0.472 25944 2257 1 4 . 1 1 100 100 ALA N N 100 121.570 121.570 122.637 -1.067 25944 2258 1 4 . 1 1 100 100 ALA HA H 100 4.218 4.218 4.579 -0.361 25944 2259 1 4 . 1 1 100 100 ALA C C 100 178.276 178.276 176.484 1.792 25944 2260 1 4 . 1 1 100 100 ALA CA C 100 52.889 52.889 51.454 1.435 25944 2261 1 4 . 1 1 100 100 ALA CB C 100 18.756 18.756 20.136 -1.380 25944 2262 1 4 . 1 1 100 100 ALA H H 100 7.950 7.950 7.367 0.583 25944 2263 1 4 . 1 1 101 101 LEU N N 101 120.160 120.160 122.720 -2.560 25944 2264 1 4 . 1 1 101 101 LEU HA H 101 4.223 4.223 4.578 -0.355 25944 2265 1 4 . 1 1 101 101 LEU C C 101 177.673 177.673 176.339 1.334 25944 2266 1 4 . 1 1 101 101 LEU CA C 101 55.529 55.529 54.907 0.622 25944 2267 1 4 . 1 1 101 101 LEU CB C 101 42.213 42.213 43.245 -1.032 25944 2268 1 4 . 1 1 101 101 LEU H H 101 7.931 7.931 8.449 -0.518 25944 2269 1 5 . 1 1 2 2 ASN N N 2 118.138 118.138 117.477 0.661 25944 2270 1 5 . 1 1 2 2 ASN HA H 2 4.638 4.638 4.393 0.245 25944 2271 1 5 . 1 1 2 2 ASN C C 2 174.541 174.541 174.444 0.097 25944 2272 1 5 . 1 1 2 2 ASN CA C 2 53.194 53.194 53.570 -0.376 25944 2273 1 5 . 1 1 2 2 ASN CB C 2 39.191 39.191 37.063 2.128 25944 2274 1 5 . 1 1 2 2 ASN H H 2 8.331 8.331 8.246 0.085 25944 2275 1 5 . 1 1 3 3 PHE N N 3 121.233 121.233 119.824 1.409 25944 2276 1 5 . 1 1 3 3 PHE HA H 3 4.418 4.418 4.548 -0.130 25944 2277 1 5 . 1 1 3 3 PHE C C 3 174.939 174.939 175.925 -0.986 25944 2278 1 5 . 1 1 3 3 PHE CA C 3 57.817 57.817 56.731 1.086 25944 2279 1 5 . 1 1 3 3 PHE CB C 3 39.377 39.377 40.257 -0.880 25944 2280 1 5 . 1 1 3 3 PHE H H 3 8.358 8.358 7.684 0.674 25944 2281 1 5 . 1 1 4 4 ASN N N 4 121.091 121.091 119.827 1.264 25944 2282 1 5 . 1 1 4 4 ASN HA H 4 4.614 4.614 5.128 -0.514 25944 2283 1 5 . 1 1 4 4 ASN C C 4 175.107 175.107 174.647 0.460 25944 2284 1 5 . 1 1 4 4 ASN CA C 4 52.869 52.869 52.998 -0.129 25944 2285 1 5 . 1 1 4 4 ASN CB C 4 38.853 38.853 39.797 -0.944 25944 2286 1 5 . 1 1 4 4 ASN H H 4 8.333 8.333 8.700 -0.367 25944 2287 1 5 . 1 1 5 5 LEU N N 5 123.882 123.882 122.547 1.335 25944 2288 1 5 . 1 1 5 5 LEU HA H 5 4.597 4.597 4.726 -0.129 25944 2289 1 5 . 1 1 5 5 LEU C C 5 177.372 177.372 177.322 0.050 25944 2290 1 5 . 1 1 5 5 LEU CA C 5 56.030 56.030 55.524 0.506 25944 2291 1 5 . 1 1 5 5 LEU CB C 5 41.775 41.775 41.734 0.041 25944 2292 1 5 . 1 1 5 5 LEU H H 5 8.259 8.259 8.525 -0.266 25944 2293 1 5 . 1 1 6 6 ALA N N 6 122.630 122.630 121.197 1.433 25944 2294 1 5 . 1 1 6 6 ALA HA H 6 4.213 4.213 4.021 0.192 25944 2295 1 5 . 1 1 6 6 ALA C C 6 178.088 178.088 176.648 1.440 25944 2296 1 5 . 1 1 6 6 ALA CA C 6 53.201 53.201 52.701 0.500 25944 2297 1 5 . 1 1 6 6 ALA CB C 6 18.533 18.533 17.600 0.933 25944 2298 1 5 . 1 1 6 6 ALA H H 6 8.132 8.132 8.250 -0.118 25944 2299 1 5 . 1 1 7 7 SER N N 7 113.309 113.309 112.187 1.122 25944 2300 1 5 . 1 1 7 7 SER HA H 7 4.333 4.333 4.547 -0.214 25944 2301 1 5 . 1 1 7 7 SER C C 7 174.347 174.347 172.824 1.523 25944 2302 1 5 . 1 1 7 7 SER CA C 7 58.244 58.244 57.387 0.857 25944 2303 1 5 . 1 1 7 7 SER CB C 7 63.655 63.655 63.928 -0.273 25944 2304 1 5 . 1 1 7 7 SER H H 7 7.866 7.866 7.968 -0.102 25944 2305 1 5 . 1 1 8 8 LEU N N 8 123.236 123.236 118.757 4.479 25944 2306 1 5 . 1 1 8 8 LEU HA H 8 4.156 4.156 4.844 -0.688 25944 2307 1 5 . 1 1 8 8 LEU C C 8 176.617 176.617 175.574 1.043 25944 2308 1 5 . 1 1 8 8 LEU CA C 8 55.368 55.368 54.454 0.914 25944 2309 1 5 . 1 1 8 8 LEU CB C 8 42.800 42.800 43.218 -0.418 25944 2310 1 5 . 1 1 8 8 LEU H H 8 7.786 7.786 8.201 -0.415 25944 2311 1 5 . 1 1 9 9 ASN N N 9 120.087 120.087 119.527 0.560 25944 2312 1 5 . 1 1 9 9 ASN HA H 9 4.502 4.502 4.932 -0.430 25944 2313 1 5 . 1 1 9 9 ASN C C 9 175.557 175.557 174.420 1.137 25944 2314 1 5 . 1 1 9 9 ASN CA C 9 52.922 52.922 53.321 -0.399 25944 2315 1 5 . 1 1 9 9 ASN CB C 9 38.529 38.529 40.414 -1.885 25944 2316 1 5 . 1 1 9 9 ASN H H 9 8.127 8.127 8.715 -0.588 25944 2317 1 5 . 1 1 10 10 GLU N N 10 121.943 121.943 121.177 0.766 25944 2318 1 5 . 1 1 10 10 GLU HA H 10 3.419 3.419 4.648 -1.229 25944 2319 1 5 . 1 1 10 10 GLU C C 10 176.176 176.176 175.660 0.516 25944 2320 1 5 . 1 1 10 10 GLU CA C 10 58.261 58.261 56.541 1.720 25944 2321 1 5 . 1 1 10 10 GLU CB C 10 29.371 29.371 30.820 -1.449 25944 2322 1 5 . 1 1 10 10 GLU H H 10 8.479 8.479 8.666 -0.187 25944 2323 1 5 . 1 1 11 11 GLU N N 11 117.932 117.932 119.556 -1.624 25944 2324 1 5 . 1 1 11 11 GLU HA H 11 3.893 3.893 4.346 -0.453 25944 2325 1 5 . 1 1 11 11 GLU C C 11 178.292 178.292 175.462 2.830 25944 2326 1 5 . 1 1 11 11 GLU CA C 11 57.418 57.418 56.347 1.071 25944 2327 1 5 . 1 1 11 11 GLU CB C 11 28.967 28.967 29.382 -0.415 25944 2328 1 5 . 1 1 11 11 GLU H H 11 7.876 7.876 8.368 -0.492 25944 2329 1 5 . 1 1 12 12 MET N N 12 118.969 118.969 116.575 2.394 25944 2330 1 5 . 1 1 12 12 MET HA H 12 3.810 3.810 3.988 -0.178 25944 2331 1 5 . 1 1 12 12 MET C C 12 175.419 175.419 175.755 -0.336 25944 2332 1 5 . 1 1 12 12 MET CA C 12 57.481 57.481 55.987 1.494 25944 2333 1 5 . 1 1 12 12 MET CB C 12 32.160 32.160 31.874 0.286 25944 2334 1 5 . 1 1 12 12 MET H H 12 7.524 7.524 7.431 0.093 25944 2335 1 5 . 1 1 13 13 PHE N N 13 113.294 113.294 112.286 1.008 25944 2336 1 5 . 1 1 13 13 PHE HA H 13 4.463 4.463 4.563 -0.100 25944 2337 1 5 . 1 1 13 13 PHE C C 13 176.009 176.009 174.598 1.411 25944 2338 1 5 . 1 1 13 13 PHE CA C 13 54.932 54.932 57.408 -2.476 25944 2339 1 5 . 1 1 13 13 PHE CB C 13 37.856 37.856 39.196 -1.340 25944 2340 1 5 . 1 1 13 13 PHE H H 13 6.975 6.975 6.792 0.183 25944 2341 1 5 . 1 1 14 14 ASN N N 14 116.706 116.706 117.721 -1.015 25944 2342 1 5 . 1 1 14 14 ASN HA H 14 4.778 4.778 4.807 -0.029 25944 2343 1 5 . 1 1 14 14 ASN C C 14 176.202 176.202 175.746 0.456 25944 2344 1 5 . 1 1 14 14 ASN CA C 14 52.333 52.333 53.437 -1.104 25944 2345 1 5 . 1 1 14 14 ASN CB C 14 36.421 36.421 37.497 -1.076 25944 2346 1 5 . 1 1 14 14 ASN H H 14 7.211 7.211 7.873 -0.662 25944 2347 1 5 . 1 1 15 15 VAL N N 15 121.352 121.352 117.163 4.189 25944 2348 1 5 . 1 1 15 15 VAL HA H 15 3.642 3.642 3.523 0.119 25944 2349 1 5 . 1 1 15 15 VAL C C 15 177.523 177.523 176.746 0.777 25944 2350 1 5 . 1 1 15 15 VAL CA C 15 63.407 63.407 64.831 -1.424 25944 2351 1 5 . 1 1 15 15 VAL CB C 15 31.120 31.120 30.838 0.282 25944 2352 1 5 . 1 1 15 15 VAL H H 15 7.971 7.971 8.905 -0.934 25944 2353 1 5 . 1 1 16 16 ALA N N 16 124.345 124.345 118.616 5.729 25944 2354 1 5 . 1 1 16 16 ALA HA H 16 4.170 4.170 4.218 -0.048 25944 2355 1 5 . 1 1 16 16 ALA C C 16 178.288 178.288 177.124 1.164 25944 2356 1 5 . 1 1 16 16 ALA CA C 16 54.170 54.170 53.343 0.827 25944 2357 1 5 . 1 1 16 16 ALA CB C 16 17.945 17.945 18.744 -0.799 25944 2358 1 5 . 1 1 16 16 ALA H H 16 8.414 8.414 8.191 0.223 25944 2359 1 5 . 1 1 17 17 ALA N N 17 116.960 116.960 120.119 -3.159 25944 2360 1 5 . 1 1 17 17 ALA HA H 17 4.309 4.309 4.610 -0.301 25944 2361 1 5 . 1 1 17 17 ALA C C 17 177.660 177.660 177.039 0.621 25944 2362 1 5 . 1 1 17 17 ALA CA C 17 51.666 51.666 51.748 -0.082 25944 2363 1 5 . 1 1 17 17 ALA CB C 17 19.331 19.331 20.360 -1.029 25944 2364 1 5 . 1 1 17 17 ALA H H 17 7.099 7.099 7.647 -0.548 25944 2365 1 5 . 1 1 18 18 LEU N N 18 119.640 119.640 119.786 -0.146 25944 2366 1 5 . 1 1 18 18 LEU HA H 18 4.479 4.479 4.707 -0.228 25944 2367 1 5 . 1 1 18 18 LEU C C 18 176.424 176.424 175.734 0.690 25944 2368 1 5 . 1 1 18 18 LEU CA C 18 54.960 54.960 54.933 0.027 25944 2369 1 5 . 1 1 18 18 LEU CB C 18 42.000 42.000 43.305 -1.305 25944 2370 1 5 . 1 1 18 18 LEU H H 18 7.256 7.256 7.535 -0.279 25944 2371 1 5 . 1 1 19 19 THR N N 19 110.240 110.240 115.536 -5.296 25944 2372 1 5 . 1 1 19 19 THR HA H 19 4.389 4.389 4.600 -0.211 25944 2373 1 5 . 1 1 19 19 THR C C 19 174.905 174.905 174.026 0.879 25944 2374 1 5 . 1 1 19 19 THR CA C 19 61.970 61.970 61.694 0.276 25944 2375 1 5 . 1 1 19 19 THR CB C 19 70.500 70.500 70.040 0.461 25944 2376 1 5 . 1 1 19 19 THR H H 19 8.319 8.319 8.339 -0.020 25944 2377 1 5 . 1 1 20 20 LYS N N 20 121.645 121.645 124.621 -2.976 25944 2378 1 5 . 1 1 20 20 LYS HA H 20 4.724 4.724 4.378 0.346 25944 2379 1 5 . 1 1 20 20 LYS C C 20 177.100 177.100 175.514 1.586 25944 2380 1 5 . 1 1 20 20 LYS CA C 20 54.890 54.890 56.118 -1.228 25944 2381 1 5 . 1 1 20 20 LYS CB C 20 33.700 33.700 33.955 -0.255 25944 2382 1 5 . 1 1 20 20 LYS H H 20 7.854 7.854 8.183 -0.329 25944 2383 1 5 . 1 1 21 21 ARG N N 21 126.200 126.200 120.406 5.794 25944 2384 1 5 . 1 1 21 21 ARG HA H 21 3.831 3.831 4.092 -0.261 25944 2385 1 5 . 1 1 21 21 ARG C C 21 178.431 178.431 178.228 0.203 25944 2386 1 5 . 1 1 21 21 ARG CA C 21 60.280 60.280 58.299 1.981 25944 2387 1 5 . 1 1 21 21 ARG CB C 21 30.600 30.600 30.413 0.187 25944 2388 1 5 . 1 1 21 21 ARG H H 21 9.171 9.171 8.487 0.684 25944 2389 1 5 . 1 1 22 22 ALA N N 22 118.555 118.555 122.551 -3.996 25944 2390 1 5 . 1 1 22 22 ALA HA H 22 4.053 4.053 4.186 -0.133 25944 2391 1 5 . 1 1 22 22 ALA C C 22 180.573 180.573 178.811 1.762 25944 2392 1 5 . 1 1 22 22 ALA CA C 22 55.480 55.480 54.680 0.800 25944 2393 1 5 . 1 1 22 22 ALA CB C 22 18.700 18.700 18.047 0.653 25944 2394 1 5 . 1 1 22 22 ALA H H 22 8.982 8.982 8.300 0.682 25944 2395 1 5 . 1 1 23 23 ASP N N 23 116.363 116.363 119.673 -3.310 25944 2396 1 5 . 1 1 23 23 ASP HA H 23 4.455 4.455 4.440 0.015 25944 2397 1 5 . 1 1 23 23 ASP C C 23 178.418 178.418 178.200 0.218 25944 2398 1 5 . 1 1 23 23 ASP CA C 23 56.697 56.697 57.006 -0.309 25944 2399 1 5 . 1 1 23 23 ASP CB C 23 41.260 41.260 40.410 0.850 25944 2400 1 5 . 1 1 23 23 ASP H H 23 6.880 6.880 8.725 -1.845 25944 2401 1 5 . 1 1 24 24 ALA N N 24 124.072 124.072 120.516 3.556 25944 2402 1 5 . 1 1 24 24 ALA HA H 24 4.307 4.307 4.310 -0.003 25944 2403 1 5 . 1 1 24 24 ALA C C 24 178.301 178.301 179.149 -0.848 25944 2404 1 5 . 1 1 24 24 ALA CA C 24 55.376 55.376 55.082 0.294 25944 2405 1 5 . 1 1 24 24 ALA CB C 24 17.900 17.900 18.550 -0.650 25944 2406 1 5 . 1 1 24 24 ALA H H 24 7.882 7.882 8.229 -0.347 25944 2407 1 5 . 1 1 25 25 LYS N N 25 118.064 118.064 119.541 -1.477 25944 2408 1 5 . 1 1 25 25 LYS HA H 25 3.748 3.748 3.888 -0.140 25944 2409 1 5 . 1 1 25 25 LYS C C 25 177.149 177.149 178.429 -1.280 25944 2410 1 5 . 1 1 25 25 LYS CA C 25 60.613 60.613 59.001 1.612 25944 2411 1 5 . 1 1 25 25 LYS CB C 25 32.433 32.433 31.934 0.499 25944 2412 1 5 . 1 1 25 25 LYS H H 25 8.799 8.799 7.528 1.271 25944 2413 1 5 . 1 1 26 26 LYS N N 26 116.995 116.995 119.913 -2.918 25944 2414 1 5 . 1 1 26 26 LYS HA H 26 3.919 3.919 4.058 -0.139 25944 2415 1 5 . 1 1 26 26 LYS C C 26 179.262 179.262 178.764 0.498 25944 2416 1 5 . 1 1 26 26 LYS CA C 26 59.980 59.980 59.686 0.294 25944 2417 1 5 . 1 1 26 26 LYS CB C 26 32.370 32.370 32.255 0.114 25944 2418 1 5 . 1 1 26 26 LYS H H 26 7.507 7.507 8.043 -0.536 25944 2419 1 5 . 1 1 27 27 LEU N N 27 118.319 118.319 118.655 -0.336 25944 2420 1 5 . 1 1 27 27 LEU HA H 27 4.387 4.387 4.061 0.326 25944 2421 1 5 . 1 1 27 27 LEU C C 27 178.187 178.187 179.309 -1.122 25944 2422 1 5 . 1 1 27 27 LEU CA C 27 57.928 57.928 58.057 -0.129 25944 2423 1 5 . 1 1 27 27 LEU CB C 27 40.941 40.941 42.136 -1.195 25944 2424 1 5 . 1 1 27 27 LEU H H 27 7.359 7.359 7.620 -0.261 25944 2425 1 5 . 1 1 28 28 ALA N N 28 121.257 121.257 120.634 0.623 25944 2426 1 5 . 1 1 28 28 ALA HA H 28 3.677 3.677 4.389 -0.712 25944 2427 1 5 . 1 1 28 28 ALA C C 28 179.000 179.000 179.047 -0.047 25944 2428 1 5 . 1 1 28 28 ALA CA C 28 56.364 56.364 54.781 1.583 25944 2429 1 5 . 1 1 28 28 ALA CB C 28 16.138 16.138 17.954 -1.816 25944 2430 1 5 . 1 1 28 28 ALA H H 28 8.571 8.571 7.623 0.948 25944 2431 1 5 . 1 1 29 29 LYS N N 29 114.495 114.495 120.473 -5.978 25944 2432 1 5 . 1 1 29 29 LYS HA H 29 3.834 3.834 3.948 -0.114 25944 2433 1 5 . 1 1 29 29 LYS C C 29 180.597 180.597 179.287 1.310 25944 2434 1 5 . 1 1 29 29 LYS CA C 29 60.073 60.073 59.326 0.747 25944 2435 1 5 . 1 1 29 29 LYS CB C 29 32.334 32.334 32.168 0.166 25944 2436 1 5 . 1 1 29 29 LYS H H 29 8.312 8.312 8.069 0.243 25944 2437 1 5 . 1 1 30 30 GLN N N 30 119.983 119.983 117.338 2.645 25944 2438 1 5 . 1 1 30 30 GLN HA H 30 4.120 4.120 4.125 -0.005 25944 2439 1 5 . 1 1 30 30 GLN C C 30 179.114 179.114 178.387 0.727 25944 2440 1 5 . 1 1 30 30 GLN CA C 30 59.063 59.063 58.624 0.439 25944 2441 1 5 . 1 1 30 30 GLN CB C 30 29.010 29.010 27.993 1.017 25944 2442 1 5 . 1 1 30 30 GLN H H 30 7.793 7.793 7.864 -0.071 25944 2443 1 5 . 1 1 31 31 LEU N N 31 117.633 117.633 118.351 -0.718 25944 2444 1 5 . 1 1 31 31 LEU HA H 31 3.927 3.927 4.308 -0.381 25944 2445 1 5 . 1 1 31 31 LEU C C 31 178.747 178.747 178.160 0.587 25944 2446 1 5 . 1 1 31 31 LEU CA C 31 57.608 57.608 56.684 0.924 25944 2447 1 5 . 1 1 31 31 LEU CB C 31 41.099 41.099 42.497 -1.398 25944 2448 1 5 . 1 1 31 31 LEU H H 31 8.348 8.348 7.351 0.997 25944 2449 1 5 . 1 1 32 32 MET N N 32 115.087 115.087 114.859 0.228 25944 2450 1 5 . 1 1 32 32 MET HA H 32 4.291 4.291 4.607 -0.316 25944 2451 1 5 . 1 1 32 32 MET C C 32 178.337 178.337 177.242 1.095 25944 2452 1 5 . 1 1 32 32 MET CA C 32 56.190 56.190 56.299 -0.109 25944 2453 1 5 . 1 1 32 32 MET CB C 32 33.237 33.237 33.235 0.002 25944 2454 1 5 . 1 1 32 32 MET H H 32 8.083 8.083 8.085 -0.002 25944 2455 1 5 . 1 1 33 33 GLY N N 33 102.979 102.979 108.044 -5.065 25944 2456 1 5 . 1 1 33 33 GLY C C 33 173.716 173.716 173.868 -0.152 25944 2457 1 5 . 1 1 33 33 GLY CA C 33 45.341 45.341 45.088 0.253 25944 2458 1 5 . 1 1 33 33 GLY H H 33 7.514 7.514 7.920 -0.406 25944 2459 1 5 . 1 1 34 34 ASN N N 34 117.931 117.931 120.536 -2.605 25944 2460 1 5 . 1 1 34 34 ASN HA H 34 4.911 4.911 5.064 -0.153 25944 2461 1 5 . 1 1 34 34 ASN C C 34 173.721 173.721 174.894 -1.173 25944 2462 1 5 . 1 1 34 34 ASN CA C 34 52.465 52.465 52.330 0.135 25944 2463 1 5 . 1 1 34 34 ASN CB C 34 39.303 39.303 40.846 -1.543 25944 2464 1 5 . 1 1 34 34 ASN H H 34 7.176 7.176 7.815 -0.639 25944 2465 1 5 . 1 1 35 35 ASP N N 35 125.367 125.367 125.840 -0.473 25944 2466 1 5 . 1 1 35 35 ASP HA H 35 4.396 4.396 4.408 -0.012 25944 2467 1 5 . 1 1 35 35 ASP C C 35 177.810 177.810 177.430 0.380 25944 2468 1 5 . 1 1 35 35 ASP CA C 35 57.193 57.193 56.612 0.581 25944 2469 1 5 . 1 1 35 35 ASP CB C 35 40.007 40.007 40.976 -0.969 25944 2470 1 5 . 1 1 35 35 ASP H H 35 8.857 8.857 8.949 -0.092 25944 2471 1 5 . 1 1 36 36 LYS N N 36 119.269 119.269 121.118 -1.849 25944 2472 1 5 . 1 1 36 36 LYS HA H 36 4.146 4.146 4.195 -0.049 25944 2473 1 5 . 1 1 36 36 LYS C C 36 179.704 179.704 177.893 1.811 25944 2474 1 5 . 1 1 36 36 LYS CA C 36 58.391 58.391 58.792 -0.401 25944 2475 1 5 . 1 1 36 36 LYS CB C 36 31.904 31.904 31.901 0.003 25944 2476 1 5 . 1 1 36 36 LYS H H 36 7.972 7.972 8.132 -0.160 25944 2477 1 5 . 1 1 37 37 LEU N N 37 122.961 122.961 118.645 4.316 25944 2478 1 5 . 1 1 37 37 LEU HA H 37 3.938 3.938 4.307 -0.369 25944 2479 1 5 . 1 1 37 37 LEU C C 37 177.699 177.699 178.044 -0.345 25944 2480 1 5 . 1 1 37 37 LEU CA C 37 56.863 56.863 57.149 -0.286 25944 2481 1 5 . 1 1 37 37 LEU CB C 37 42.072 42.072 41.952 0.120 25944 2482 1 5 . 1 1 37 37 LEU H H 37 7.370 7.370 7.918 -0.548 25944 2483 1 5 . 1 1 38 38 ALA N N 38 120.603 120.603 121.549 -0.946 25944 2484 1 5 . 1 1 38 38 ALA HA H 38 3.270 3.270 3.829 -0.559 25944 2485 1 5 . 1 1 38 38 ALA C C 38 176.450 176.450 179.282 -2.832 25944 2486 1 5 . 1 1 38 38 ALA CA C 38 55.268 55.268 55.314 -0.046 25944 2487 1 5 . 1 1 38 38 ALA CB C 38 16.619 16.619 17.866 -1.247 25944 2488 1 5 . 1 1 38 38 ALA H H 38 7.918 7.918 8.036 -0.118 25944 2489 1 5 . 1 1 39 39 ASP N N 39 113.981 113.981 119.250 -5.269 25944 2490 1 5 . 1 1 39 39 ASP HA H 39 4.082 4.082 4.567 -0.485 25944 2491 1 5 . 1 1 39 39 ASP C C 39 178.258 178.258 177.941 0.317 25944 2492 1 5 . 1 1 39 39 ASP CA C 39 57.308 57.308 57.448 -0.140 25944 2493 1 5 . 1 1 39 39 ASP CB C 39 40.859 40.859 40.707 0.152 25944 2494 1 5 . 1 1 39 39 ASP H H 39 7.594 7.594 8.018 -0.423 25944 2495 1 5 . 1 1 40 40 ALA N N 40 119.475 119.475 120.279 -0.804 25944 2496 1 5 . 1 1 40 40 ALA HA H 40 3.831 3.831 4.289 -0.458 25944 2497 1 5 . 1 1 40 40 ALA C C 40 179.459 179.459 178.864 0.595 25944 2498 1 5 . 1 1 40 40 ALA CA C 40 54.590 54.590 53.868 0.722 25944 2499 1 5 . 1 1 40 40 ALA CB C 40 17.241 17.241 18.607 -1.366 25944 2500 1 5 . 1 1 40 40 ALA H H 40 6.934 6.934 7.748 -0.814 25944 2501 1 5 . 1 1 41 41 ALA N N 41 124.918 124.918 123.577 1.341 25944 2502 1 5 . 1 1 41 41 ALA HA H 41 1.920 1.920 2.622 -0.702 25944 2503 1 5 . 1 1 41 41 ALA C C 41 177.309 177.309 177.877 -0.568 25944 2504 1 5 . 1 1 41 41 ALA CA C 41 54.473 54.473 53.985 0.488 25944 2505 1 5 . 1 1 41 41 ALA CB C 41 16.412 16.412 18.132 -1.720 25944 2506 1 5 . 1 1 41 41 ALA H H 41 7.384 7.384 7.517 -0.133 25944 2507 1 5 . 1 1 42 42 TYR N N 42 115.340 115.340 117.271 -1.931 25944 2508 1 5 . 1 1 42 42 TYR HA H 42 4.164 4.164 4.385 -0.221 25944 2509 1 5 . 1 1 42 42 TYR C C 42 179.228 179.228 177.598 1.630 25944 2510 1 5 . 1 1 42 42 TYR CA C 42 58.300 58.300 60.743 -2.443 25944 2511 1 5 . 1 1 42 42 TYR CB C 42 35.365 35.365 37.959 -2.594 25944 2512 1 5 . 1 1 42 42 TYR H H 42 7.639 7.639 8.406 -0.767 25944 2513 1 5 . 1 1 43 43 ILE N N 43 117.754 117.754 119.028 -1.274 25944 2514 1 5 . 1 1 43 43 ILE HA H 43 3.839 3.839 3.441 0.398 25944 2515 1 5 . 1 1 43 43 ILE C C 43 178.090 178.090 177.230 0.860 25944 2516 1 5 . 1 1 43 43 ILE CA C 43 64.721 64.721 61.076 3.645 25944 2517 1 5 . 1 1 43 43 ILE CB C 43 39.511 39.511 36.951 2.560 25944 2518 1 5 . 1 1 43 43 ILE H H 43 7.321 7.321 7.033 0.288 25944 2519 1 5 . 1 1 44 44 TRP N N 44 124.439 124.439 123.096 1.343 25944 2520 1 5 . 1 1 44 44 TRP HA H 44 4.049 4.049 4.213 -0.164 25944 2521 1 5 . 1 1 44 44 TRP C C 44 181.073 181.073 178.118 2.955 25944 2522 1 5 . 1 1 44 44 TRP CA C 44 63.008 63.008 61.184 1.824 25944 2523 1 5 . 1 1 44 44 TRP CB C 44 30.286 30.286 29.205 1.081 25944 2524 1 5 . 1 1 44 44 TRP H H 44 8.016 8.016 6.910 1.106 25944 2525 1 5 . 1 1 45 45 TRP N N 45 121.640 121.640 118.174 3.466 25944 2526 1 5 . 1 1 45 45 TRP HA H 45 4.537 4.537 4.567 -0.030 25944 2527 1 5 . 1 1 45 45 TRP C C 45 178.515 178.515 179.268 -0.753 25944 2528 1 5 . 1 1 45 45 TRP CA C 45 58.862 58.862 59.510 -0.648 25944 2529 1 5 . 1 1 45 45 TRP CB C 45 28.572 28.572 28.488 0.084 25944 2530 1 5 . 1 1 45 45 TRP H H 45 10.044 10.044 8.054 1.990 25944 2531 1 5 . 1 1 46 46 GLN N N 46 120.394 120.394 118.554 1.840 25944 2532 1 5 . 1 1 46 46 GLN HA H 46 4.276 4.276 3.995 0.281 25944 2533 1 5 . 1 1 46 46 GLN C C 46 180.992 180.992 178.283 2.709 25944 2534 1 5 . 1 1 46 46 GLN CA C 46 59.809 59.809 58.860 0.949 25944 2535 1 5 . 1 1 46 46 GLN CB C 46 26.732 26.732 28.127 -1.395 25944 2536 1 5 . 1 1 46 46 GLN H H 46 8.652 8.652 8.264 0.388 25944 2537 1 5 . 1 1 47 47 HIS N N 47 118.999 118.999 119.009 -0.010 25944 2538 1 5 . 1 1 47 47 HIS HA H 47 4.304 4.304 4.281 0.023 25944 2539 1 5 . 1 1 47 47 HIS C C 47 175.745 175.745 175.597 0.148 25944 2540 1 5 . 1 1 47 47 HIS CA C 47 53.405 53.405 57.755 -4.350 25944 2541 1 5 . 1 1 47 47 HIS CB C 47 28.839 28.839 29.680 -0.841 25944 2542 1 5 . 1 1 47 47 HIS H H 47 8.640 8.640 7.791 0.849 25944 2543 1 5 . 1 1 48 48 ASN N N 48 115.577 115.577 114.880 0.697 25944 2544 1 5 . 1 1 48 48 ASN HA H 48 4.387 4.387 4.689 -0.302 25944 2545 1 5 . 1 1 48 48 ASN C C 48 172.379 172.379 174.001 -1.622 25944 2546 1 5 . 1 1 48 48 ASN CA C 48 53.783 53.783 52.138 1.645 25944 2547 1 5 . 1 1 48 48 ASN CB C 48 38.582 38.582 38.221 0.361 25944 2548 1 5 . 1 1 48 48 ASN H H 48 7.851 7.851 7.638 0.213 25944 2549 1 5 . 1 1 49 49 ARG N N 49 114.746 114.746 118.821 -4.075 25944 2550 1 5 . 1 1 49 49 ARG HA H 49 3.837 3.837 3.956 -0.119 25944 2551 1 5 . 1 1 49 49 ARG C C 49 175.105 175.105 175.367 -0.262 25944 2552 1 5 . 1 1 49 49 ARG CA C 49 57.252 57.252 57.042 0.210 25944 2553 1 5 . 1 1 49 49 ARG CB C 49 26.100 26.100 28.240 -2.140 25944 2554 1 5 . 1 1 49 49 ARG H H 49 7.790 7.790 7.848 -0.058 25944 2555 1 5 . 1 1 50 50 VAL N N 50 120.612 120.612 118.687 1.925 25944 2556 1 5 . 1 1 50 50 VAL HA H 50 4.169 4.169 4.053 0.116 25944 2557 1 5 . 1 1 50 50 VAL C C 50 178.261 178.261 175.115 3.146 25944 2558 1 5 . 1 1 50 50 VAL CA C 50 63.272 63.272 62.624 0.648 25944 2559 1 5 . 1 1 50 50 VAL CB C 50 31.060 31.060 33.374 -2.314 25944 2560 1 5 . 1 1 50 50 VAL H H 50 8.556 8.556 7.677 0.879 25944 2561 1 5 . 1 1 51 51 THR N N 51 122.788 122.788 119.161 3.627 25944 2562 1 5 . 1 1 51 51 THR HA H 51 4.761 4.761 4.576 0.185 25944 2563 1 5 . 1 1 51 51 THR C C 51 176.097 176.097 175.776 0.321 25944 2564 1 5 . 1 1 51 51 THR CA C 51 60.823 60.823 60.164 0.659 25944 2565 1 5 . 1 1 51 51 THR CB C 51 71.497 71.497 70.885 0.612 25944 2566 1 5 . 1 1 51 51 THR H H 51 8.706 8.706 8.395 0.311 25944 2567 1 5 . 1 1 52 52 LEU N N 52 120.755 120.755 128.276 -7.521 25944 2568 1 5 . 1 1 52 52 LEU HA H 52 3.996 3.996 3.993 0.003 25944 2569 1 5 . 1 1 52 52 LEU C C 52 179.154 179.154 178.660 0.494 25944 2570 1 5 . 1 1 52 52 LEU CA C 52 58.472 58.472 58.067 0.405 25944 2571 1 5 . 1 1 52 52 LEU CB C 52 40.238 40.238 41.452 -1.214 25944 2572 1 5 . 1 1 52 52 LEU H H 52 8.990 8.990 8.923 0.067 25944 2573 1 5 . 1 1 53 53 ASP N N 53 117.391 117.391 117.370 0.021 25944 2574 1 5 . 1 1 53 53 ASP HA H 53 4.547 4.547 4.266 0.281 25944 2575 1 5 . 1 1 53 53 ASP C C 53 178.795 178.795 178.600 0.195 25944 2576 1 5 . 1 1 53 53 ASP CA C 53 57.267 57.267 57.309 -0.042 25944 2577 1 5 . 1 1 53 53 ASP CB C 53 40.462 40.462 40.753 -0.291 25944 2578 1 5 . 1 1 53 53 ASP H H 53 8.204 8.204 8.006 0.198 25944 2579 1 5 . 1 1 54 54 GLN N N 54 119.886 119.886 119.759 0.127 25944 2580 1 5 . 1 1 54 54 GLN C C 54 179.913 179.913 178.084 1.829 25944 2581 1 5 . 1 1 54 54 GLN CA C 54 59.022 59.022 58.498 0.524 25944 2582 1 5 . 1 1 54 54 GLN CB C 54 29.100 29.100 29.062 0.038 25944 2583 1 5 . 1 1 54 54 GLN H H 54 7.761 7.761 7.672 0.089 25944 2584 1 5 . 1 1 55 55 ILE N N 55 121.501 121.501 120.294 1.207 25944 2585 1 5 . 1 1 55 55 ILE C C 55 177.425 177.425 177.935 -0.510 25944 2586 1 5 . 1 1 55 55 ILE CA C 55 61.603 61.603 63.688 -2.085 25944 2587 1 5 . 1 1 55 55 ILE CB C 55 33.900 33.900 36.375 -2.475 25944 2588 1 5 . 1 1 55 55 ILE H H 55 7.864 7.864 7.592 0.272 25944 2589 1 5 . 1 1 56 56 ASP N N 56 122.017 122.017 119.635 2.382 25944 2590 1 5 . 1 1 56 56 ASP HA H 56 4.337 4.337 3.275 1.062 25944 2591 1 5 . 1 1 56 56 ASP C C 56 177.692 177.692 178.077 -0.385 25944 2592 1 5 . 1 1 56 56 ASP CA C 56 58.337 58.337 57.415 0.922 25944 2593 1 5 . 1 1 56 56 ASP CB C 56 42.299 42.299 40.248 2.051 25944 2594 1 5 . 1 1 56 56 ASP H H 56 8.840 8.840 8.514 0.326 25944 2595 1 5 . 1 1 57 57 THR N N 57 114.652 114.652 114.909 -0.257 25944 2596 1 5 . 1 1 57 57 THR HA H 57 4.239 4.239 3.945 0.294 25944 2597 1 5 . 1 1 57 57 THR C C 57 176.138 176.138 176.387 -0.249 25944 2598 1 5 . 1 1 57 57 THR CA C 57 67.433 67.433 65.417 2.016 25944 2599 1 5 . 1 1 57 57 THR CB C 57 68.636 68.636 68.557 0.079 25944 2600 1 5 . 1 1 57 57 THR H H 57 8.148 8.148 7.599 0.549 25944 2601 1 5 . 1 1 58 58 PHE N N 58 124.453 124.453 122.762 1.691 25944 2602 1 5 . 1 1 58 58 PHE HA H 58 4.598 4.598 4.309 0.289 25944 2603 1 5 . 1 1 58 58 PHE C C 58 176.122 176.122 176.115 0.007 25944 2604 1 5 . 1 1 58 58 PHE CA C 58 59.150 59.150 60.614 -1.464 25944 2605 1 5 . 1 1 58 58 PHE CB C 58 38.571 38.571 39.026 -0.455 25944 2606 1 5 . 1 1 58 58 PHE H H 58 7.650 7.650 7.148 0.502 25944 2607 1 5 . 1 1 59 59 LEU N N 59 120.652 120.652 120.372 0.280 25944 2608 1 5 . 1 1 59 59 LEU HA H 59 3.423 3.423 3.314 0.109 25944 2609 1 5 . 1 1 59 59 LEU C C 59 179.603 179.603 178.679 0.924 25944 2610 1 5 . 1 1 59 59 LEU CA C 59 57.710 57.710 58.344 -0.635 25944 2611 1 5 . 1 1 59 59 LEU CB C 59 39.800 39.800 41.838 -2.038 25944 2612 1 5 . 1 1 59 59 LEU H H 59 8.543 8.543 8.660 -0.117 25944 2613 1 5 . 1 1 60 60 LYS N N 60 119.870 119.870 118.557 1.313 25944 2614 1 5 . 1 1 60 60 LYS HA H 60 3.563 3.563 3.751 -0.188 25944 2615 1 5 . 1 1 60 60 LYS C C 60 178.258 178.258 178.166 0.092 25944 2616 1 5 . 1 1 60 60 LYS CA C 60 59.797 59.797 59.190 0.607 25944 2617 1 5 . 1 1 60 60 LYS CB C 60 32.464 32.464 32.210 0.254 25944 2618 1 5 . 1 1 60 60 LYS H H 60 8.105 8.105 7.843 0.262 25944 2619 1 5 . 1 1 61 61 LEU N N 61 120.600 120.600 115.858 4.742 25944 2620 1 5 . 1 1 61 61 LEU HA H 61 4.117 4.117 3.999 0.118 25944 2621 1 5 . 1 1 61 61 LEU C C 61 178.029 178.029 177.132 0.897 25944 2622 1 5 . 1 1 61 61 LEU CA C 61 56.880 56.880 56.860 0.020 25944 2623 1 5 . 1 1 61 61 LEU CB C 61 42.059 42.059 41.284 0.775 25944 2624 1 5 . 1 1 61 61 LEU H H 61 7.496 7.496 7.244 0.252 25944 2625 1 5 . 1 1 62 62 ALA N N 62 118.900 118.900 121.338 -2.438 25944 2626 1 5 . 1 1 62 62 ALA HA H 62 3.901 3.901 4.164 -0.263 25944 2627 1 5 . 1 1 62 62 ALA C C 62 178.505 178.505 178.290 0.215 25944 2628 1 5 . 1 1 62 62 ALA CA C 62 54.603 54.603 52.801 1.802 25944 2629 1 5 . 1 1 62 62 ALA CB C 62 19.400 19.400 19.052 0.348 25944 2630 1 5 . 1 1 62 62 ALA H H 62 7.827 7.827 7.466 0.361 25944 2631 1 5 . 1 1 63 63 SER N N 63 111.351 111.351 113.965 -2.614 25944 2632 1 5 . 1 1 63 63 SER HA H 63 3.390 3.390 4.406 -1.016 25944 2633 1 5 . 1 1 63 63 SER C C 63 170.257 170.257 174.087 -3.830 25944 2634 1 5 . 1 1 63 63 SER CA C 63 59.687 59.687 58.210 1.477 25944 2635 1 5 . 1 1 63 63 SER CB C 63 62.300 62.300 63.917 -1.617 25944 2636 1 5 . 1 1 63 63 SER H H 63 7.839 7.839 7.719 0.120 25944 2637 1 5 . 1 1 67 67 GLN N N 67 122.300 122.300 122.400 -0.100 25944 2638 1 5 . 1 1 67 67 GLN HA H 67 4.009 4.009 3.972 0.037 25944 2639 1 5 . 1 1 67 67 GLN C C 67 176.000 176.000 175.815 0.185 25944 2640 1 5 . 1 1 67 67 GLN CA C 67 56.950 56.950 57.121 -0.171 25944 2641 1 5 . 1 1 67 67 GLN CB C 67 26.500 26.500 28.413 -1.913 25944 2642 1 5 . 1 1 67 67 GLN H H 67 8.201 8.201 8.726 -0.525 25944 2643 1 5 . 1 1 68 68 GLY N N 68 105.200 105.200 106.217 -1.017 25944 2644 1 5 . 1 1 68 68 GLY C C 68 174.914 174.914 174.964 -0.050 25944 2645 1 5 . 1 1 68 68 GLY CA C 68 45.622 45.622 45.172 0.450 25944 2646 1 5 . 1 1 68 68 GLY H H 68 8.512 8.512 7.583 0.929 25944 2647 1 5 . 1 1 69 69 ALA N N 69 125.585 125.585 127.312 -1.727 25944 2648 1 5 . 1 1 69 69 ALA HA H 69 4.020 4.020 4.148 -0.128 25944 2649 1 5 . 1 1 69 69 ALA C C 69 180.176 180.176 179.623 0.553 25944 2650 1 5 . 1 1 69 69 ALA CA C 69 55.000 55.000 54.395 0.605 25944 2651 1 5 . 1 1 69 69 ALA CB C 69 18.200 18.200 19.124 -0.924 25944 2652 1 5 . 1 1 69 69 ALA H H 69 8.046 8.046 8.529 -0.483 25944 2653 1 5 . 1 1 70 70 LYS N N 70 116.500 116.500 119.226 -2.726 25944 2654 1 5 . 1 1 70 70 LYS HA H 70 3.923 3.923 4.091 -0.168 25944 2655 1 5 . 1 1 70 70 LYS C C 70 176.800 176.800 178.075 -1.275 25944 2656 1 5 . 1 1 70 70 LYS CA C 70 58.530 58.530 58.521 0.009 25944 2657 1 5 . 1 1 70 70 LYS H H 70 7.928 7.928 8.567 -0.639 25944 2658 1 5 . 1 1 71 71 TYR N N 71 116.400 116.400 119.117 -2.717 25944 2659 1 5 . 1 1 71 71 TYR HA H 71 5.173 5.173 4.307 0.866 25944 2660 1 5 . 1 1 71 71 TYR C C 71 175.800 175.800 176.521 -0.721 25944 2661 1 5 . 1 1 71 71 TYR CA C 71 55.810 55.810 59.959 -4.149 25944 2662 1 5 . 1 1 71 71 TYR CB C 71 40.500 40.500 38.110 2.390 25944 2663 1 5 . 1 1 71 71 TYR H H 71 7.465 7.465 8.011 -0.546 25944 2664 1 5 . 1 1 72 72 ASN N N 72 120.200 120.200 115.770 4.430 25944 2665 1 5 . 1 1 72 72 ASN HA H 72 4.421 4.421 4.171 0.250 25944 2666 1 5 . 1 1 72 72 ASN C C 72 176.000 176.000 177.224 -1.224 25944 2667 1 5 . 1 1 72 72 ASN CA C 72 56.600 56.600 54.318 2.282 25944 2668 1 5 . 1 1 72 72 ASN CB C 72 38.690 38.690 38.213 0.477 25944 2669 1 5 . 1 1 72 72 ASN H H 72 7.675 7.675 7.523 0.152 25944 2670 1 5 . 1 1 73 73 GLN N N 73 119.800 119.800 119.377 0.423 25944 2671 1 5 . 1 1 73 73 GLN HA H 73 4.212 4.212 4.094 0.118 25944 2672 1 5 . 1 1 73 73 GLN C C 73 178.600 178.600 178.131 0.469 25944 2673 1 5 . 1 1 73 73 GLN CA C 73 59.610 59.610 58.474 1.136 25944 2674 1 5 . 1 1 73 73 GLN CB C 73 29.460 29.460 28.502 0.958 25944 2675 1 5 . 1 1 73 73 GLN H H 73 9.111 9.111 7.524 1.587 25944 2676 1 5 . 1 1 74 74 ILE N N 74 119.200 119.200 115.561 3.639 25944 2677 1 5 . 1 1 74 74 ILE HA H 74 4.409 4.409 3.973 0.436 25944 2678 1 5 . 1 1 74 74 ILE C C 74 177.100 177.100 177.158 -0.058 25944 2679 1 5 . 1 1 74 74 ILE CA C 74 63.410 63.410 63.167 0.242 25944 2680 1 5 . 1 1 74 74 ILE CB C 74 37.700 37.700 37.153 0.547 25944 2681 1 5 . 1 1 74 74 ILE H H 74 7.944 7.944 7.450 0.494 25944 2682 1 5 . 1 1 75 75 TYR N N 75 119.600 119.600 121.191 -1.591 25944 2683 1 5 . 1 1 75 75 TYR HA H 75 3.891 3.891 4.380 -0.489 25944 2684 1 5 . 1 1 75 75 TYR C C 75 176.800 176.800 176.712 0.088 25944 2685 1 5 . 1 1 75 75 TYR CA C 75 62.650 62.650 60.572 2.079 25944 2686 1 5 . 1 1 75 75 TYR CB C 75 38.950 38.950 39.189 -0.239 25944 2687 1 5 . 1 1 75 75 TYR H H 75 6.718 6.718 7.665 -0.947 25944 2688 1 5 . 1 1 76 76 ASN N N 76 115.900 115.900 119.287 -3.387 25944 2689 1 5 . 1 1 76 76 ASN HA H 76 4.385 4.385 4.337 0.048 25944 2690 1 5 . 1 1 76 76 ASN C C 76 178.600 178.600 177.284 1.316 25944 2691 1 5 . 1 1 76 76 ASN CA C 76 56.310 56.310 56.181 0.129 25944 2692 1 5 . 1 1 76 76 ASN H H 76 8.901 8.901 8.068 0.833 25944 2693 1 5 . 1 1 77 77 SER N N 77 117.000 117.000 114.944 2.056 25944 2694 1 5 . 1 1 77 77 SER HA H 77 4.219 4.219 4.034 0.185 25944 2695 1 5 . 1 1 77 77 SER C C 77 176.800 176.800 176.127 0.673 25944 2696 1 5 . 1 1 77 77 SER CA C 77 62.600 62.600 60.975 1.625 25944 2697 1 5 . 1 1 77 77 SER H H 77 8.512 8.512 7.886 0.626 25944 2698 1 5 . 1 1 78 78 TYR N N 78 125.400 125.400 123.093 2.307 25944 2699 1 5 . 1 1 78 78 TYR HA H 78 4.379 4.379 4.503 -0.124 25944 2700 1 5 . 1 1 78 78 TYR C C 78 176.600 176.600 177.092 -0.492 25944 2701 1 5 . 1 1 78 78 TYR CA C 78 59.800 59.800 61.318 -1.518 25944 2702 1 5 . 1 1 78 78 TYR CB C 78 37.200 37.200 38.599 -1.399 25944 2703 1 5 . 1 1 78 78 TYR H H 78 8.299 8.299 8.165 0.134 25944 2704 1 5 . 1 1 79 79 MET N N 79 118.400 118.400 118.290 0.110 25944 2705 1 5 . 1 1 79 79 MET HA H 79 3.421 3.421 3.839 -0.418 25944 2706 1 5 . 1 1 79 79 MET C C 79 178.400 178.400 178.488 -0.088 25944 2707 1 5 . 1 1 79 79 MET CA C 79 60.400 60.400 59.582 0.818 25944 2708 1 5 . 1 1 79 79 MET CB C 79 32.750 32.750 32.690 0.061 25944 2709 1 5 . 1 1 79 79 MET H H 79 8.264 8.264 7.739 0.525 25944 2710 1 5 . 1 1 80 80 MET N N 80 117.172 117.172 117.118 0.054 25944 2711 1 5 . 1 1 80 80 MET HA H 80 4.136 4.136 4.107 0.029 25944 2712 1 5 . 1 1 80 80 MET C C 80 179.418 179.418 177.180 2.238 25944 2713 1 5 . 1 1 80 80 MET CA C 80 58.419 58.419 58.454 -0.035 25944 2714 1 5 . 1 1 80 80 MET CB C 80 32.400 32.400 32.641 -0.241 25944 2715 1 5 . 1 1 80 80 MET H H 80 7.907 7.907 8.216 -0.309 25944 2716 1 5 . 1 1 81 81 HIS N N 81 121.510 121.510 117.994 3.516 25944 2717 1 5 . 1 1 81 81 HIS HA H 81 4.123 4.123 4.239 -0.116 25944 2718 1 5 . 1 1 81 81 HIS C C 81 177.339 177.339 177.723 -0.384 25944 2719 1 5 . 1 1 81 81 HIS CA C 81 60.130 60.130 58.735 1.395 25944 2720 1 5 . 1 1 81 81 HIS CB C 81 29.556 29.556 30.359 -0.803 25944 2721 1 5 . 1 1 81 81 HIS H H 81 8.115 8.115 7.556 0.559 25944 2722 1 5 . 1 1 82 82 LEU N N 82 117.015 117.015 117.242 -0.227 25944 2723 1 5 . 1 1 82 82 LEU HA H 82 3.856 3.856 4.107 -0.251 25944 2724 1 5 . 1 1 82 82 LEU C C 82 178.330 178.330 177.412 0.918 25944 2725 1 5 . 1 1 82 82 LEU CA C 82 56.000 56.000 55.742 0.258 25944 2726 1 5 . 1 1 82 82 LEU CB C 82 42.503 42.503 42.597 -0.094 25944 2727 1 5 . 1 1 82 82 LEU H H 82 7.979 7.979 7.714 0.265 25944 2728 1 5 . 1 1 83 83 GLY N N 83 106.661 106.661 107.225 -0.564 25944 2729 1 5 . 1 1 83 83 GLY C C 83 174.964 174.964 175.030 -0.066 25944 2730 1 5 . 1 1 83 83 GLY CA C 83 45.799 45.799 45.719 0.080 25944 2731 1 5 . 1 1 83 83 GLY H H 83 7.755 7.755 7.717 0.038 25944 2732 1 5 . 1 1 84 84 LEU N N 84 120.273 120.273 115.231 5.042 25944 2733 1 5 . 1 1 84 84 LEU HA H 84 4.399 4.399 4.791 -0.392 25944 2734 1 5 . 1 1 84 84 LEU C C 84 177.302 177.302 177.409 -0.107 25944 2735 1 5 . 1 1 84 84 LEU CA C 84 55.048 55.048 53.577 1.471 25944 2736 1 5 . 1 1 84 84 LEU CB C 84 42.662 42.662 41.892 0.770 25944 2737 1 5 . 1 1 84 84 LEU H H 84 7.568 7.568 7.663 -0.095 25944 2738 1 5 . 1 1 85 85 THR N N 85 111.602 111.602 116.522 -4.920 25944 2739 1 5 . 1 1 85 85 THR HA H 85 4.291 4.291 4.496 -0.205 25944 2740 1 5 . 1 1 85 85 THR C C 85 175.115 175.115 175.613 -0.498 25944 2741 1 5 . 1 1 85 85 THR CA C 85 62.122 62.122 63.042 -0.920 25944 2742 1 5 . 1 1 85 85 THR CB C 85 69.882 69.882 69.505 0.377 25944 2743 1 5 . 1 1 85 85 THR H H 85 8.005 8.005 7.786 0.219 25944 2744 1 5 . 1 1 86 86 GLY N N 86 110.816 110.816 112.293 -1.477 25944 2745 1 5 . 1 1 86 86 GLY C C 86 173.491 173.491 173.920 -0.429 25944 2746 1 5 . 1 1 86 86 GLY CA C 86 45.335 45.335 45.128 0.207 25944 2747 1 5 . 1 1 86 86 GLY H H 86 8.246 8.246 8.702 -0.456 25944 2748 1 5 . 1 1 87 87 TYR N N 87 119.845 119.845 119.701 0.144 25944 2749 1 5 . 1 1 87 87 TYR HA H 87 4.505 4.505 4.656 -0.151 25944 2750 1 5 . 1 1 87 87 TYR C C 87 175.166 175.166 175.237 -0.071 25944 2751 1 5 . 1 1 87 87 TYR CA C 87 58.010 58.010 56.538 1.472 25944 2752 1 5 . 1 1 87 87 TYR CB C 87 39.058 39.058 38.887 0.171 25944 2753 1 5 . 1 1 87 87 TYR H H 87 7.935 7.935 8.271 -0.336 25944 2754 1 5 . 1 1 88 88 GLU N N 88 125.299 125.299 119.854 5.445 25944 2755 1 5 . 1 1 88 88 GLU HA H 88 4.517 4.517 4.200 0.317 25944 2756 1 5 . 1 1 88 88 GLU C C 88 174.024 174.024 174.619 -0.595 25944 2757 1 5 . 1 1 88 88 GLU CA C 88 53.851 53.851 56.148 -2.297 25944 2758 1 5 . 1 1 88 88 GLU CB C 88 30.050 30.050 28.746 1.304 25944 2759 1 5 . 1 1 88 88 GLU H H 88 8.205 8.205 8.303 -0.098 25944 2760 1 5 . 1 1 89 89 PRO HA H 89 4.302 4.302 4.544 -0.242 25944 2761 1 5 . 1 1 89 89 PRO C C 89 176.800 176.800 176.529 0.271 25944 2762 1 5 . 1 1 89 89 PRO CA C 89 63.237 63.237 63.051 0.186 25944 2763 1 5 . 1 1 89 89 PRO CB C 89 32.100 32.100 32.297 -0.197 25944 2764 1 5 . 1 1 90 90 ASN N N 90 118.411 118.411 121.014 -2.603 25944 2765 1 5 . 1 1 90 90 ASN HA H 90 4.658 4.658 4.813 -0.155 25944 2766 1 5 . 1 1 90 90 ASN C C 90 175.462 175.462 175.452 0.010 25944 2767 1 5 . 1 1 90 90 ASN CA C 90 53.497 53.497 53.508 -0.011 25944 2768 1 5 . 1 1 90 90 ASN CB C 90 38.809 38.809 38.724 0.085 25944 2769 1 5 . 1 1 90 90 ASN H H 90 8.649 8.649 8.611 0.038 25944 2770 1 5 . 1 1 91 91 SER N N 91 116.049 116.049 116.594 -0.545 25944 2771 1 5 . 1 1 91 91 SER HA H 91 4.396 4.396 4.461 -0.065 25944 2772 1 5 . 1 1 91 91 SER C C 91 174.844 174.844 175.030 -0.186 25944 2773 1 5 . 1 1 91 91 SER CA C 91 58.769 58.769 58.440 0.329 25944 2774 1 5 . 1 1 91 91 SER CB C 91 63.927 63.927 63.626 0.301 25944 2775 1 5 . 1 1 91 91 SER H H 91 8.255 8.255 8.552 -0.297 25944 2776 1 5 . 1 1 92 92 SER N N 92 117.736 117.736 117.996 -0.260 25944 2777 1 5 . 1 1 92 92 SER HA H 92 4.414 4.414 4.436 -0.022 25944 2778 1 5 . 1 1 92 92 SER C C 92 174.749 174.749 173.791 0.958 25944 2779 1 5 . 1 1 92 92 SER CA C 92 58.651 58.651 59.268 -0.617 25944 2780 1 5 . 1 1 92 92 SER CB C 92 63.952 63.952 63.351 0.601 25944 2781 1 5 . 1 1 92 92 SER H H 92 8.399 8.399 7.972 0.427 25944 2782 1 5 . 1 1 93 93 SER N N 93 117.731 117.731 119.851 -2.120 25944 2783 1 5 . 1 1 93 93 SER HA H 93 4.437 4.437 4.860 -0.423 25944 2784 1 5 . 1 1 93 93 SER C C 93 174.918 174.918 172.961 1.957 25944 2785 1 5 . 1 1 93 93 SER CA C 93 58.696 58.696 57.440 1.256 25944 2786 1 5 . 1 1 93 93 SER CB C 93 63.822 63.822 65.327 -1.505 25944 2787 1 5 . 1 1 93 93 SER H H 93 8.308 8.308 8.240 0.068 25944 2788 1 5 . 1 1 94 94 VAL N N 94 121.028 121.028 119.516 1.512 25944 2789 1 5 . 1 1 94 94 VAL HA H 94 4.020 4.020 4.541 -0.521 25944 2790 1 5 . 1 1 94 94 VAL C C 94 176.301 176.301 174.859 1.442 25944 2791 1 5 . 1 1 94 94 VAL CA C 94 63.176 63.176 61.534 1.642 25944 2792 1 5 . 1 1 94 94 VAL CB C 94 32.797 32.797 33.468 -0.670 25944 2793 1 5 . 1 1 94 94 VAL H H 94 8.026 8.026 8.233 -0.207 25944 2794 1 5 . 1 1 95 95 ASP N N 95 122.997 122.997 123.582 -0.585 25944 2795 1 5 . 1 1 95 95 ASP HA H 95 4.537 4.537 4.683 -0.146 25944 2796 1 5 . 1 1 95 95 ASP C C 95 176.937 176.937 177.437 -0.500 25944 2797 1 5 . 1 1 95 95 ASP CA C 95 54.806 54.806 55.053 -0.247 25944 2798 1 5 . 1 1 95 95 ASP CB C 95 41.014 41.014 41.853 -0.839 25944 2799 1 5 . 1 1 95 95 ASP H H 95 8.274 8.274 8.700 -0.426 25944 2800 1 5 . 1 1 96 96 LYS N N 96 121.796 121.796 120.403 1.393 25944 2801 1 5 . 1 1 96 96 LYS HA H 96 4.163 4.163 4.061 0.102 25944 2802 1 5 . 1 1 96 96 LYS C C 96 177.534 177.534 178.610 -1.076 25944 2803 1 5 . 1 1 96 96 LYS CA C 96 57.500 57.500 59.044 -1.544 25944 2804 1 5 . 1 1 96 96 LYS CB C 96 32.171 32.171 32.345 -0.174 25944 2805 1 5 . 1 1 96 96 LYS H H 96 8.159 8.159 8.383 -0.224 25944 2806 1 5 . 1 1 97 97 LEU N N 97 121.703 121.703 117.173 4.530 25944 2807 1 5 . 1 1 97 97 LEU HA H 97 4.216 4.216 4.116 0.100 25944 2808 1 5 . 1 1 97 97 LEU C C 97 177.892 177.892 178.051 -0.159 25944 2809 1 5 . 1 1 97 97 LEU CA C 97 56.024 56.024 56.802 -0.778 25944 2810 1 5 . 1 1 97 97 LEU CB C 97 41.755 41.755 41.480 0.275 25944 2811 1 5 . 1 1 97 97 LEU H H 97 8.097 8.097 7.809 0.288 25944 2812 1 5 . 1 1 98 98 ALA N N 98 123.261 123.261 121.009 2.252 25944 2813 1 5 . 1 1 98 98 ALA HA H 98 4.158 4.158 4.054 0.104 25944 2814 1 5 . 1 1 98 98 ALA C C 98 178.590 178.590 178.779 -0.189 25944 2815 1 5 . 1 1 98 98 ALA CA C 98 53.201 53.201 54.488 -1.287 25944 2816 1 5 . 1 1 98 98 ALA CB C 98 18.643 18.643 18.681 -0.038 25944 2817 1 5 . 1 1 98 98 ALA H H 98 7.998 7.998 7.823 0.175 25944 2818 1 5 . 1 1 99 99 ALA N N 99 121.686 121.686 117.988 3.698 25944 2819 1 5 . 1 1 99 99 ALA HA H 99 4.173 4.173 4.264 -0.091 25944 2820 1 5 . 1 1 99 99 ALA C C 99 178.303 178.303 177.202 1.101 25944 2821 1 5 . 1 1 99 99 ALA CA C 99 53.182 53.182 52.331 0.851 25944 2822 1 5 . 1 1 99 99 ALA CB C 99 18.638 18.638 19.282 -0.644 25944 2823 1 5 . 1 1 99 99 ALA H H 99 8.009 8.009 8.114 -0.105 25944 2824 1 5 . 1 1 100 100 ALA N N 100 121.570 121.570 119.015 2.555 25944 2825 1 5 . 1 1 100 100 ALA HA H 100 4.218 4.218 4.053 0.165 25944 2826 1 5 . 1 1 100 100 ALA C C 100 178.276 178.276 176.597 1.679 25944 2827 1 5 . 1 1 100 100 ALA CA C 100 52.889 52.889 52.618 0.271 25944 2828 1 5 . 1 1 100 100 ALA CB C 100 18.756 18.756 17.101 1.655 25944 2829 1 5 . 1 1 100 100 ALA H H 100 7.950 7.950 7.438 0.512 25944 2830 1 5 . 1 1 101 101 LEU N N 101 120.160 120.160 122.149 -1.989 25944 2831 1 5 . 1 1 101 101 LEU HA H 101 4.223 4.223 4.286 -0.063 25944 2832 1 5 . 1 1 101 101 LEU C C 101 177.673 177.673 176.621 1.052 25944 2833 1 5 . 1 1 101 101 LEU CA C 101 55.529 55.529 54.706 0.823 25944 2834 1 5 . 1 1 101 101 LEU CB C 101 42.213 42.213 40.817 1.396 25944 2835 1 5 . 1 1 101 101 LEU H H 101 7.931 7.931 7.831 0.100 25944 2836 1 6 . 1 1 2 2 ASN N N 2 118.138 118.138 116.822 1.316 25944 2837 1 6 . 1 1 2 2 ASN HA H 2 4.638 4.638 4.771 -0.133 25944 2838 1 6 . 1 1 2 2 ASN C C 2 174.541 174.541 174.291 0.250 25944 2839 1 6 . 1 1 2 2 ASN CA C 2 53.194 53.194 52.848 0.346 25944 2840 1 6 . 1 1 2 2 ASN CB C 2 39.191 39.191 38.590 0.601 25944 2841 1 6 . 1 1 2 2 ASN H H 2 8.331 8.331 7.924 0.407 25944 2842 1 6 . 1 1 3 3 PHE N N 3 121.233 121.233 119.580 1.653 25944 2843 1 6 . 1 1 3 3 PHE HA H 3 4.418 4.418 4.637 -0.219 25944 2844 1 6 . 1 1 3 3 PHE C C 3 174.939 174.939 175.032 -0.093 25944 2845 1 6 . 1 1 3 3 PHE CA C 3 57.817 57.817 57.196 0.621 25944 2846 1 6 . 1 1 3 3 PHE CB C 3 39.377 39.377 39.164 0.213 25944 2847 1 6 . 1 1 3 3 PHE H H 3 8.358 8.358 7.697 0.661 25944 2848 1 6 . 1 1 4 4 ASN N N 4 121.091 121.091 118.649 2.442 25944 2849 1 6 . 1 1 4 4 ASN HA H 4 4.614 4.614 5.015 -0.401 25944 2850 1 6 . 1 1 4 4 ASN C C 4 175.107 175.107 175.130 -0.023 25944 2851 1 6 . 1 1 4 4 ASN CA C 4 52.869 52.869 52.915 -0.046 25944 2852 1 6 . 1 1 4 4 ASN CB C 4 38.853 38.853 41.109 -2.256 25944 2853 1 6 . 1 1 4 4 ASN H H 4 8.333 8.333 7.984 0.349 25944 2854 1 6 . 1 1 5 5 LEU N N 5 123.882 123.882 123.036 0.846 25944 2855 1 6 . 1 1 5 5 LEU HA H 5 4.597 4.597 4.427 0.170 25944 2856 1 6 . 1 1 5 5 LEU C C 5 177.372 177.372 177.734 -0.362 25944 2857 1 6 . 1 1 5 5 LEU CA C 5 56.030 56.030 55.283 0.747 25944 2858 1 6 . 1 1 5 5 LEU CB C 5 41.775 41.775 42.424 -0.649 25944 2859 1 6 . 1 1 5 5 LEU H H 5 8.259 8.259 8.486 -0.227 25944 2860 1 6 . 1 1 6 6 ALA N N 6 122.630 122.630 123.076 -0.446 25944 2861 1 6 . 1 1 6 6 ALA HA H 6 4.213 4.213 4.648 -0.435 25944 2862 1 6 . 1 1 6 6 ALA C C 6 178.088 178.088 176.969 1.119 25944 2863 1 6 . 1 1 6 6 ALA CA C 6 53.201 53.201 51.809 1.392 25944 2864 1 6 . 1 1 6 6 ALA CB C 6 18.533 18.533 19.608 -1.075 25944 2865 1 6 . 1 1 6 6 ALA H H 6 8.132 8.132 7.840 0.292 25944 2866 1 6 . 1 1 7 7 SER N N 7 113.309 113.309 115.823 -2.514 25944 2867 1 6 . 1 1 7 7 SER HA H 7 4.333 4.333 4.692 -0.359 25944 2868 1 6 . 1 1 7 7 SER C C 7 174.347 174.347 173.011 1.336 25944 2869 1 6 . 1 1 7 7 SER CA C 7 58.244 58.244 58.437 -0.193 25944 2870 1 6 . 1 1 7 7 SER CB C 7 63.655 63.655 65.478 -1.823 25944 2871 1 6 . 1 1 7 7 SER H H 7 7.866 7.866 8.437 -0.571 25944 2872 1 6 . 1 1 8 8 LEU N N 8 123.236 123.236 122.517 0.719 25944 2873 1 6 . 1 1 8 8 LEU HA H 8 4.156 4.156 4.799 -0.643 25944 2874 1 6 . 1 1 8 8 LEU C C 8 176.617 176.617 175.613 1.004 25944 2875 1 6 . 1 1 8 8 LEU CA C 8 55.368 55.368 54.877 0.492 25944 2876 1 6 . 1 1 8 8 LEU CB C 8 42.800 42.800 43.313 -0.513 25944 2877 1 6 . 1 1 8 8 LEU H H 8 7.786 7.786 8.400 -0.614 25944 2878 1 6 . 1 1 9 9 ASN N N 9 120.087 120.087 122.846 -2.759 25944 2879 1 6 . 1 1 9 9 ASN HA H 9 4.502 4.502 4.944 -0.442 25944 2880 1 6 . 1 1 9 9 ASN C C 9 175.557 175.557 174.574 0.983 25944 2881 1 6 . 1 1 9 9 ASN CA C 9 52.922 52.922 53.294 -0.372 25944 2882 1 6 . 1 1 9 9 ASN CB C 9 38.529 38.529 39.403 -0.874 25944 2883 1 6 . 1 1 9 9 ASN H H 9 8.127 8.127 8.782 -0.655 25944 2884 1 6 . 1 1 10 10 GLU N N 10 121.943 121.943 121.280 0.663 25944 2885 1 6 . 1 1 10 10 GLU HA H 10 3.419 3.419 4.800 -1.381 25944 2886 1 6 . 1 1 10 10 GLU C C 10 176.176 176.176 175.773 0.403 25944 2887 1 6 . 1 1 10 10 GLU CA C 10 58.261 58.261 56.797 1.464 25944 2888 1 6 . 1 1 10 10 GLU CB C 10 29.371 29.371 30.399 -1.028 25944 2889 1 6 . 1 1 10 10 GLU H H 10 8.479 8.479 8.792 -0.313 25944 2890 1 6 . 1 1 11 11 GLU N N 11 117.932 117.932 119.282 -1.350 25944 2891 1 6 . 1 1 11 11 GLU HA H 11 3.893 3.893 4.252 -0.358 25944 2892 1 6 . 1 1 11 11 GLU C C 11 178.292 178.292 175.570 2.722 25944 2893 1 6 . 1 1 11 11 GLU CA C 11 57.418 57.418 56.484 0.934 25944 2894 1 6 . 1 1 11 11 GLU CB C 11 28.967 28.967 29.143 -0.176 25944 2895 1 6 . 1 1 11 11 GLU H H 11 7.876 7.876 8.242 -0.366 25944 2896 1 6 . 1 1 12 12 MET N N 12 118.969 118.969 116.606 2.363 25944 2897 1 6 . 1 1 12 12 MET HA H 12 3.810 3.810 3.949 -0.139 25944 2898 1 6 . 1 1 12 12 MET C C 12 175.419 175.419 175.387 0.032 25944 2899 1 6 . 1 1 12 12 MET CA C 12 57.481 57.481 55.970 1.511 25944 2900 1 6 . 1 1 12 12 MET CB C 12 32.160 32.160 32.383 -0.223 25944 2901 1 6 . 1 1 12 12 MET H H 12 7.524 7.524 7.607 -0.083 25944 2902 1 6 . 1 1 13 13 PHE N N 13 113.294 113.294 114.437 -1.143 25944 2903 1 6 . 1 1 13 13 PHE HA H 13 4.463 4.463 4.441 0.022 25944 2904 1 6 . 1 1 13 13 PHE C C 13 176.009 176.009 174.788 1.221 25944 2905 1 6 . 1 1 13 13 PHE CA C 13 54.932 54.932 57.405 -2.473 25944 2906 1 6 . 1 1 13 13 PHE CB C 13 37.856 37.856 39.367 -1.510 25944 2907 1 6 . 1 1 13 13 PHE H H 13 6.975 6.975 6.953 0.022 25944 2908 1 6 . 1 1 14 14 ASN N N 14 116.706 116.706 118.791 -2.085 25944 2909 1 6 . 1 1 14 14 ASN HA H 14 4.778 4.778 5.046 -0.268 25944 2910 1 6 . 1 1 14 14 ASN C C 14 176.202 176.202 176.376 -0.174 25944 2911 1 6 . 1 1 14 14 ASN CA C 14 52.333 52.333 53.179 -0.846 25944 2912 1 6 . 1 1 14 14 ASN CB C 14 36.421 36.421 38.356 -1.935 25944 2913 1 6 . 1 1 14 14 ASN H H 14 7.211 7.211 7.925 -0.714 25944 2914 1 6 . 1 1 15 15 VAL N N 15 121.352 121.352 113.545 7.807 25944 2915 1 6 . 1 1 15 15 VAL HA H 15 3.642 3.642 3.634 0.008 25944 2916 1 6 . 1 1 15 15 VAL C C 15 177.523 177.523 175.660 1.863 25944 2917 1 6 . 1 1 15 15 VAL CA C 15 63.407 63.407 64.007 -0.600 25944 2918 1 6 . 1 1 15 15 VAL CB C 15 31.120 31.120 31.232 -0.112 25944 2919 1 6 . 1 1 15 15 VAL H H 15 7.971 7.971 8.592 -0.621 25944 2920 1 6 . 1 1 16 16 ALA N N 16 124.345 124.345 120.578 3.767 25944 2921 1 6 . 1 1 16 16 ALA HA H 16 4.170 4.170 4.251 -0.081 25944 2922 1 6 . 1 1 16 16 ALA C C 16 178.288 178.288 177.505 0.783 25944 2923 1 6 . 1 1 16 16 ALA CA C 16 54.170 54.170 53.194 0.976 25944 2924 1 6 . 1 1 16 16 ALA CB C 16 17.945 17.945 19.095 -1.150 25944 2925 1 6 . 1 1 16 16 ALA H H 16 8.414 8.414 7.848 0.566 25944 2926 1 6 . 1 1 17 17 ALA N N 17 116.960 116.960 120.443 -3.483 25944 2927 1 6 . 1 1 17 17 ALA HA H 17 4.309 4.309 4.626 -0.317 25944 2928 1 6 . 1 1 17 17 ALA C C 17 177.660 177.660 177.246 0.414 25944 2929 1 6 . 1 1 17 17 ALA CA C 17 51.666 51.666 51.888 -0.222 25944 2930 1 6 . 1 1 17 17 ALA CB C 17 19.331 19.331 20.564 -1.232 25944 2931 1 6 . 1 1 17 17 ALA H H 17 7.099 7.099 8.099 -1.000 25944 2932 1 6 . 1 1 18 18 LEU N N 18 119.640 119.640 119.551 0.089 25944 2933 1 6 . 1 1 18 18 LEU HA H 18 4.479 4.479 4.645 -0.166 25944 2934 1 6 . 1 1 18 18 LEU C C 18 176.424 176.424 175.731 0.693 25944 2935 1 6 . 1 1 18 18 LEU CA C 18 54.960 54.960 55.285 -0.325 25944 2936 1 6 . 1 1 18 18 LEU CB C 18 42.000 42.000 42.803 -0.803 25944 2937 1 6 . 1 1 18 18 LEU H H 18 7.256 7.256 7.915 -0.659 25944 2938 1 6 . 1 1 19 19 THR N N 19 110.240 110.240 116.069 -5.829 25944 2939 1 6 . 1 1 19 19 THR HA H 19 4.389 4.389 4.585 -0.196 25944 2940 1 6 . 1 1 19 19 THR C C 19 174.905 174.905 173.967 0.938 25944 2941 1 6 . 1 1 19 19 THR CA C 19 61.970 61.970 61.592 0.378 25944 2942 1 6 . 1 1 19 19 THR CB C 19 70.500 70.500 69.608 0.892 25944 2943 1 6 . 1 1 19 19 THR H H 19 8.319 8.319 8.339 -0.020 25944 2944 1 6 . 1 1 20 20 LYS N N 20 121.645 121.645 124.475 -2.830 25944 2945 1 6 . 1 1 20 20 LYS HA H 20 4.724 4.724 4.414 0.310 25944 2946 1 6 . 1 1 20 20 LYS C C 20 177.100 177.100 175.673 1.427 25944 2947 1 6 . 1 1 20 20 LYS CA C 20 54.890 54.890 56.236 -1.346 25944 2948 1 6 . 1 1 20 20 LYS CB C 20 33.700 33.700 34.416 -0.716 25944 2949 1 6 . 1 1 20 20 LYS H H 20 7.854 7.854 8.123 -0.269 25944 2950 1 6 . 1 1 21 21 ARG N N 21 126.200 126.200 120.736 5.464 25944 2951 1 6 . 1 1 21 21 ARG HA H 21 3.831 3.831 4.283 -0.452 25944 2952 1 6 . 1 1 21 21 ARG C C 21 178.431 178.431 178.198 0.233 25944 2953 1 6 . 1 1 21 21 ARG CA C 21 60.280 60.280 58.068 2.212 25944 2954 1 6 . 1 1 21 21 ARG CB C 21 30.600 30.600 30.275 0.325 25944 2955 1 6 . 1 1 21 21 ARG H H 21 9.171 9.171 8.743 0.428 25944 2956 1 6 . 1 1 22 22 ALA N N 22 118.555 118.555 122.800 -4.245 25944 2957 1 6 . 1 1 22 22 ALA HA H 22 4.053 4.053 4.208 -0.155 25944 2958 1 6 . 1 1 22 22 ALA C C 22 180.573 180.573 179.086 1.487 25944 2959 1 6 . 1 1 22 22 ALA CA C 22 55.480 55.480 54.809 0.671 25944 2960 1 6 . 1 1 22 22 ALA CB C 22 18.700 18.700 18.227 0.473 25944 2961 1 6 . 1 1 22 22 ALA H H 22 8.982 8.982 8.313 0.669 25944 2962 1 6 . 1 1 23 23 ASP N N 23 116.363 116.363 119.651 -3.288 25944 2963 1 6 . 1 1 23 23 ASP HA H 23 4.455 4.455 4.408 0.047 25944 2964 1 6 . 1 1 23 23 ASP C C 23 178.418 178.418 178.358 0.060 25944 2965 1 6 . 1 1 23 23 ASP CA C 23 56.697 56.697 57.599 -0.902 25944 2966 1 6 . 1 1 23 23 ASP CB C 23 41.260 41.260 40.453 0.807 25944 2967 1 6 . 1 1 23 23 ASP H H 23 6.880 6.880 8.607 -1.727 25944 2968 1 6 . 1 1 24 24 ALA N N 24 124.072 124.072 120.976 3.096 25944 2969 1 6 . 1 1 24 24 ALA HA H 24 4.307 4.307 4.376 -0.069 25944 2970 1 6 . 1 1 24 24 ALA C C 24 178.301 178.301 179.409 -1.108 25944 2971 1 6 . 1 1 24 24 ALA CA C 24 55.376 55.376 55.101 0.275 25944 2972 1 6 . 1 1 24 24 ALA CB C 24 17.900 17.900 18.243 -0.343 25944 2973 1 6 . 1 1 24 24 ALA H H 24 7.882 7.882 8.265 -0.383 25944 2974 1 6 . 1 1 25 25 LYS N N 25 118.064 118.064 118.795 -0.731 25944 2975 1 6 . 1 1 25 25 LYS HA H 25 3.748 3.748 3.904 -0.155 25944 2976 1 6 . 1 1 25 25 LYS C C 25 177.149 177.149 178.432 -1.283 25944 2977 1 6 . 1 1 25 25 LYS CA C 25 60.613 60.613 59.029 1.584 25944 2978 1 6 . 1 1 25 25 LYS CB C 25 32.433 32.433 31.968 0.464 25944 2979 1 6 . 1 1 25 25 LYS H H 25 8.799 8.799 7.603 1.196 25944 2980 1 6 . 1 1 26 26 LYS N N 26 116.995 116.995 119.838 -2.843 25944 2981 1 6 . 1 1 26 26 LYS HA H 26 3.919 3.919 4.145 -0.226 25944 2982 1 6 . 1 1 26 26 LYS C C 26 179.262 179.262 178.713 0.549 25944 2983 1 6 . 1 1 26 26 LYS CA C 26 59.980 59.980 59.234 0.746 25944 2984 1 6 . 1 1 26 26 LYS CB C 26 32.370 32.370 32.480 -0.111 25944 2985 1 6 . 1 1 26 26 LYS H H 26 7.507 7.507 7.524 -0.017 25944 2986 1 6 . 1 1 27 27 LEU N N 27 118.319 118.319 119.620 -1.301 25944 2987 1 6 . 1 1 27 27 LEU HA H 27 4.387 4.387 4.121 0.266 25944 2988 1 6 . 1 1 27 27 LEU C C 27 178.187 178.187 179.619 -1.432 25944 2989 1 6 . 1 1 27 27 LEU CA C 27 57.928 57.928 58.282 -0.354 25944 2990 1 6 . 1 1 27 27 LEU CB C 27 40.941 40.941 41.351 -0.410 25944 2991 1 6 . 1 1 27 27 LEU H H 27 7.359 7.359 7.798 -0.439 25944 2992 1 6 . 1 1 28 28 ALA N N 28 121.257 121.257 119.870 1.387 25944 2993 1 6 . 1 1 28 28 ALA HA H 28 3.677 3.677 4.371 -0.694 25944 2994 1 6 . 1 1 28 28 ALA C C 28 179.000 179.000 178.976 0.024 25944 2995 1 6 . 1 1 28 28 ALA CA C 28 56.364 56.364 54.827 1.537 25944 2996 1 6 . 1 1 28 28 ALA CB C 28 16.138 16.138 18.141 -2.003 25944 2997 1 6 . 1 1 28 28 ALA H H 28 8.571 8.571 8.002 0.569 25944 2998 1 6 . 1 1 29 29 LYS N N 29 114.495 114.495 120.310 -5.815 25944 2999 1 6 . 1 1 29 29 LYS HA H 29 3.834 3.834 3.926 -0.092 25944 3000 1 6 . 1 1 29 29 LYS C C 29 180.597 180.597 178.565 2.032 25944 3001 1 6 . 1 1 29 29 LYS CA C 29 60.073 60.073 59.655 0.418 25944 3002 1 6 . 1 1 29 29 LYS CB C 29 32.334 32.334 32.139 0.195 25944 3003 1 6 . 1 1 29 29 LYS H H 29 8.312 8.312 7.600 0.712 25944 3004 1 6 . 1 1 30 30 GLN N N 30 119.983 119.983 116.936 3.047 25944 3005 1 6 . 1 1 30 30 GLN HA H 30 4.120 4.120 4.172 -0.052 25944 3006 1 6 . 1 1 30 30 GLN C C 30 179.114 179.114 178.699 0.415 25944 3007 1 6 . 1 1 30 30 GLN CA C 30 59.063 59.063 58.692 0.371 25944 3008 1 6 . 1 1 30 30 GLN CB C 30 29.010 29.010 28.151 0.859 25944 3009 1 6 . 1 1 30 30 GLN H H 30 7.793 7.793 7.773 0.020 25944 3010 1 6 . 1 1 31 31 LEU N N 31 117.633 117.633 118.412 -0.779 25944 3011 1 6 . 1 1 31 31 LEU HA H 31 3.927 3.927 4.380 -0.453 25944 3012 1 6 . 1 1 31 31 LEU C C 31 178.747 178.747 177.687 1.060 25944 3013 1 6 . 1 1 31 31 LEU CA C 31 57.608 57.608 56.360 1.248 25944 3014 1 6 . 1 1 31 31 LEU CB C 31 41.099 41.099 42.312 -1.213 25944 3015 1 6 . 1 1 31 31 LEU H H 31 8.348 8.348 7.403 0.945 25944 3016 1 6 . 1 1 32 32 MET N N 32 115.087 115.087 115.144 -0.057 25944 3017 1 6 . 1 1 32 32 MET HA H 32 4.291 4.291 4.516 -0.225 25944 3018 1 6 . 1 1 32 32 MET C C 32 178.337 178.337 177.542 0.795 25944 3019 1 6 . 1 1 32 32 MET CA C 32 56.190 56.190 57.293 -1.103 25944 3020 1 6 . 1 1 32 32 MET CB C 32 33.237 33.237 33.935 -0.698 25944 3021 1 6 . 1 1 32 32 MET H H 32 8.083 8.083 7.795 0.288 25944 3022 1 6 . 1 1 33 33 GLY N N 33 102.979 102.979 106.884 -3.905 25944 3023 1 6 . 1 1 33 33 GLY C C 33 173.716 173.716 174.219 -0.503 25944 3024 1 6 . 1 1 33 33 GLY CA C 33 45.341 45.341 44.899 0.442 25944 3025 1 6 . 1 1 33 33 GLY H H 33 7.514 7.514 7.865 -0.351 25944 3026 1 6 . 1 1 34 34 ASN N N 34 117.931 117.931 122.139 -4.208 25944 3027 1 6 . 1 1 34 34 ASN HA H 34 4.911 4.911 4.710 0.201 25944 3028 1 6 . 1 1 34 34 ASN C C 34 173.721 173.721 175.014 -1.293 25944 3029 1 6 . 1 1 34 34 ASN CA C 34 52.465 52.465 53.594 -1.129 25944 3030 1 6 . 1 1 34 34 ASN CB C 34 39.303 39.303 38.841 0.462 25944 3031 1 6 . 1 1 34 34 ASN H H 34 7.176 7.176 8.221 -1.045 25944 3032 1 6 . 1 1 35 35 ASP N N 35 125.367 125.367 126.793 -1.426 25944 3033 1 6 . 1 1 35 35 ASP HA H 35 4.396 4.396 4.326 0.070 25944 3034 1 6 . 1 1 35 35 ASP C C 35 177.810 177.810 177.526 0.284 25944 3035 1 6 . 1 1 35 35 ASP CA C 35 57.193 57.193 57.493 -0.300 25944 3036 1 6 . 1 1 35 35 ASP CB C 35 40.007 40.007 41.200 -1.193 25944 3037 1 6 . 1 1 35 35 ASP H H 35 8.857 8.857 8.663 0.194 25944 3038 1 6 . 1 1 36 36 LYS N N 36 119.269 119.269 119.409 -0.140 25944 3039 1 6 . 1 1 36 36 LYS HA H 36 4.146 4.146 4.099 0.047 25944 3040 1 6 . 1 1 36 36 LYS C C 36 179.704 179.704 178.182 1.522 25944 3041 1 6 . 1 1 36 36 LYS CA C 36 58.391 58.391 58.890 -0.499 25944 3042 1 6 . 1 1 36 36 LYS CB C 36 31.904 31.904 30.835 1.069 25944 3043 1 6 . 1 1 36 36 LYS H H 36 7.972 7.972 8.596 -0.624 25944 3044 1 6 . 1 1 37 37 LEU N N 37 122.961 122.961 120.255 2.706 25944 3045 1 6 . 1 1 37 37 LEU HA H 37 3.938 3.938 4.407 -0.469 25944 3046 1 6 . 1 1 37 37 LEU C C 37 177.699 177.699 178.345 -0.646 25944 3047 1 6 . 1 1 37 37 LEU CA C 37 56.863 56.863 56.260 0.603 25944 3048 1 6 . 1 1 37 37 LEU CB C 37 42.072 42.072 41.766 0.306 25944 3049 1 6 . 1 1 37 37 LEU H H 37 7.370 7.370 7.489 -0.119 25944 3050 1 6 . 1 1 38 38 ALA N N 38 120.603 120.603 121.918 -1.315 25944 3051 1 6 . 1 1 38 38 ALA HA H 38 3.270 3.270 3.963 -0.693 25944 3052 1 6 . 1 1 38 38 ALA C C 38 176.450 176.450 179.527 -3.077 25944 3053 1 6 . 1 1 38 38 ALA CA C 38 55.268 55.268 55.200 0.068 25944 3054 1 6 . 1 1 38 38 ALA CB C 38 16.619 16.619 17.898 -1.279 25944 3055 1 6 . 1 1 38 38 ALA H H 38 7.918 7.918 8.275 -0.357 25944 3056 1 6 . 1 1 39 39 ASP N N 39 113.981 113.981 118.766 -4.785 25944 3057 1 6 . 1 1 39 39 ASP HA H 39 4.082 4.082 4.661 -0.579 25944 3058 1 6 . 1 1 39 39 ASP C C 39 178.258 178.258 177.706 0.552 25944 3059 1 6 . 1 1 39 39 ASP CA C 39 57.308 57.308 57.635 -0.327 25944 3060 1 6 . 1 1 39 39 ASP CB C 39 40.859 40.859 40.925 -0.066 25944 3061 1 6 . 1 1 39 39 ASP H H 39 7.594 7.594 8.463 -0.869 25944 3062 1 6 . 1 1 40 40 ALA N N 40 119.475 119.475 120.998 -1.523 25944 3063 1 6 . 1 1 40 40 ALA HA H 40 3.831 3.831 4.295 -0.464 25944 3064 1 6 . 1 1 40 40 ALA C C 40 179.459 179.459 178.905 0.554 25944 3065 1 6 . 1 1 40 40 ALA CA C 40 54.590 54.590 53.907 0.683 25944 3066 1 6 . 1 1 40 40 ALA CB C 40 17.241 17.241 18.777 -1.536 25944 3067 1 6 . 1 1 40 40 ALA H H 40 6.934 6.934 7.635 -0.701 25944 3068 1 6 . 1 1 41 41 ALA N N 41 124.918 124.918 123.411 1.507 25944 3069 1 6 . 1 1 41 41 ALA HA H 41 1.920 1.920 2.975 -1.055 25944 3070 1 6 . 1 1 41 41 ALA C C 41 177.309 177.309 177.964 -0.655 25944 3071 1 6 . 1 1 41 41 ALA CA C 41 54.473 54.473 54.124 0.349 25944 3072 1 6 . 1 1 41 41 ALA CB C 41 16.412 16.412 18.275 -1.863 25944 3073 1 6 . 1 1 41 41 ALA H H 41 7.384 7.384 7.542 -0.158 25944 3074 1 6 . 1 1 42 42 TYR N N 42 115.340 115.340 117.347 -2.007 25944 3075 1 6 . 1 1 42 42 TYR HA H 42 4.164 4.164 4.561 -0.397 25944 3076 1 6 . 1 1 42 42 TYR C C 42 179.228 179.228 177.644 1.584 25944 3077 1 6 . 1 1 42 42 TYR CA C 42 58.300 58.300 60.873 -2.573 25944 3078 1 6 . 1 1 42 42 TYR CB C 42 35.365 35.365 38.083 -2.718 25944 3079 1 6 . 1 1 42 42 TYR H H 42 7.639 7.639 8.459 -0.820 25944 3080 1 6 . 1 1 43 43 ILE N N 43 117.754 117.754 118.515 -0.761 25944 3081 1 6 . 1 1 43 43 ILE HA H 43 3.839 3.839 3.596 0.243 25944 3082 1 6 . 1 1 43 43 ILE C C 43 178.090 178.090 177.504 0.586 25944 3083 1 6 . 1 1 43 43 ILE CA C 43 64.721 64.721 61.064 3.657 25944 3084 1 6 . 1 1 43 43 ILE CB C 43 39.511 39.511 36.924 2.587 25944 3085 1 6 . 1 1 43 43 ILE H H 43 7.321 7.321 7.067 0.254 25944 3086 1 6 . 1 1 44 44 TRP N N 44 124.439 124.439 123.510 0.929 25944 3087 1 6 . 1 1 44 44 TRP HA H 44 4.049 4.049 4.187 -0.138 25944 3088 1 6 . 1 1 44 44 TRP C C 44 181.073 181.073 178.136 2.937 25944 3089 1 6 . 1 1 44 44 TRP CA C 44 63.008 63.008 61.499 1.509 25944 3090 1 6 . 1 1 44 44 TRP CB C 44 30.286 30.286 29.062 1.224 25944 3091 1 6 . 1 1 44 44 TRP H H 44 8.016 8.016 7.020 0.996 25944 3092 1 6 . 1 1 45 45 TRP N N 45 121.640 121.640 117.581 4.059 25944 3093 1 6 . 1 1 45 45 TRP HA H 45 4.537 4.537 4.159 0.378 25944 3094 1 6 . 1 1 45 45 TRP C C 45 178.515 178.515 179.057 -0.542 25944 3095 1 6 . 1 1 45 45 TRP CA C 45 58.862 58.862 60.221 -1.359 25944 3096 1 6 . 1 1 45 45 TRP CB C 45 28.572 28.572 28.612 -0.040 25944 3097 1 6 . 1 1 45 45 TRP H H 45 10.044 10.044 7.700 2.344 25944 3098 1 6 . 1 1 46 46 GLN N N 46 120.394 120.394 118.645 1.749 25944 3099 1 6 . 1 1 46 46 GLN HA H 46 4.276 4.276 3.922 0.354 25944 3100 1 6 . 1 1 46 46 GLN C C 46 180.992 180.992 178.275 2.717 25944 3101 1 6 . 1 1 46 46 GLN CA C 46 59.809 59.809 59.040 0.769 25944 3102 1 6 . 1 1 46 46 GLN CB C 46 26.732 26.732 28.059 -1.327 25944 3103 1 6 . 1 1 46 46 GLN H H 46 8.652 8.652 8.358 0.294 25944 3104 1 6 . 1 1 47 47 HIS N N 47 118.999 118.999 117.670 1.329 25944 3105 1 6 . 1 1 47 47 HIS HA H 47 4.304 4.304 4.233 0.071 25944 3106 1 6 . 1 1 47 47 HIS C C 47 175.745 175.745 175.958 -0.213 25944 3107 1 6 . 1 1 47 47 HIS CA C 47 53.405 53.405 58.614 -5.209 25944 3108 1 6 . 1 1 47 47 HIS CB C 47 28.839 28.839 29.560 -0.721 25944 3109 1 6 . 1 1 47 47 HIS H H 47 8.640 8.640 7.678 0.962 25944 3110 1 6 . 1 1 48 48 ASN N N 48 115.577 115.577 115.020 0.557 25944 3111 1 6 . 1 1 48 48 ASN HA H 48 4.387 4.387 4.647 -0.260 25944 3112 1 6 . 1 1 48 48 ASN C C 48 172.379 172.379 174.508 -2.129 25944 3113 1 6 . 1 1 48 48 ASN CA C 48 53.783 53.783 53.142 0.641 25944 3114 1 6 . 1 1 48 48 ASN CB C 48 38.582 38.582 38.559 0.023 25944 3115 1 6 . 1 1 48 48 ASN H H 48 7.851 7.851 7.726 0.125 25944 3116 1 6 . 1 1 49 49 ARG N N 49 114.746 114.746 115.778 -1.032 25944 3117 1 6 . 1 1 49 49 ARG HA H 49 3.837 3.837 3.997 -0.160 25944 3118 1 6 . 1 1 49 49 ARG C C 49 175.105 175.105 175.328 -0.223 25944 3119 1 6 . 1 1 49 49 ARG CA C 49 57.252 57.252 56.638 0.614 25944 3120 1 6 . 1 1 49 49 ARG CB C 49 26.100 26.100 27.021 -0.921 25944 3121 1 6 . 1 1 49 49 ARG H H 49 7.790 7.790 8.150 -0.360 25944 3122 1 6 . 1 1 50 50 VAL N N 50 120.612 120.612 119.571 1.041 25944 3123 1 6 . 1 1 50 50 VAL HA H 50 4.169 4.169 4.115 0.054 25944 3124 1 6 . 1 1 50 50 VAL C C 50 178.261 178.261 176.487 1.774 25944 3125 1 6 . 1 1 50 50 VAL CA C 50 63.272 63.272 62.166 1.106 25944 3126 1 6 . 1 1 50 50 VAL CB C 50 31.060 31.060 33.061 -2.001 25944 3127 1 6 . 1 1 50 50 VAL H H 50 8.556 8.556 7.917 0.639 25944 3128 1 6 . 1 1 51 51 THR N N 51 122.788 122.788 120.445 2.343 25944 3129 1 6 . 1 1 51 51 THR HA H 51 4.761 4.761 4.513 0.248 25944 3130 1 6 . 1 1 51 51 THR C C 51 176.097 176.097 175.528 0.569 25944 3131 1 6 . 1 1 51 51 THR CA C 51 60.823 60.823 60.279 0.544 25944 3132 1 6 . 1 1 51 51 THR CB C 51 71.497 71.497 70.657 0.840 25944 3133 1 6 . 1 1 51 51 THR H H 51 8.706 8.706 8.078 0.628 25944 3134 1 6 . 1 1 52 52 LEU N N 52 120.755 120.755 128.449 -7.694 25944 3135 1 6 . 1 1 52 52 LEU HA H 52 3.996 3.996 4.049 -0.053 25944 3136 1 6 . 1 1 52 52 LEU C C 52 179.154 179.154 178.487 0.667 25944 3137 1 6 . 1 1 52 52 LEU CA C 52 58.472 58.472 57.823 0.649 25944 3138 1 6 . 1 1 52 52 LEU CB C 52 40.238 40.238 41.457 -1.219 25944 3139 1 6 . 1 1 52 52 LEU H H 52 8.990 8.990 8.827 0.163 25944 3140 1 6 . 1 1 53 53 ASP N N 53 117.391 117.391 116.679 0.712 25944 3141 1 6 . 1 1 53 53 ASP HA H 53 4.547 4.547 4.300 0.247 25944 3142 1 6 . 1 1 53 53 ASP C C 53 178.795 178.795 177.355 1.440 25944 3143 1 6 . 1 1 53 53 ASP CA C 53 57.267 57.267 56.428 0.839 25944 3144 1 6 . 1 1 53 53 ASP CB C 53 40.462 40.462 40.902 -0.440 25944 3145 1 6 . 1 1 53 53 ASP H H 53 8.204 8.204 7.828 0.376 25944 3146 1 6 . 1 1 54 54 GLN N N 54 119.886 119.886 118.096 1.790 25944 3147 1 6 . 1 1 54 54 GLN C C 54 179.913 179.913 177.956 1.957 25944 3148 1 6 . 1 1 54 54 GLN CA C 54 59.022 59.022 58.212 0.810 25944 3149 1 6 . 1 1 54 54 GLN CB C 54 29.100 29.100 29.349 -0.249 25944 3150 1 6 . 1 1 54 54 GLN H H 54 7.761 7.761 7.593 0.168 25944 3151 1 6 . 1 1 55 55 ILE N N 55 121.501 121.501 120.357 1.144 25944 3152 1 6 . 1 1 55 55 ILE C C 55 177.425 177.425 178.034 -0.609 25944 3153 1 6 . 1 1 55 55 ILE CA C 55 61.603 61.603 63.980 -2.377 25944 3154 1 6 . 1 1 55 55 ILE CB C 55 33.900 33.900 36.554 -2.654 25944 3155 1 6 . 1 1 55 55 ILE H H 55 7.864 7.864 7.464 0.400 25944 3156 1 6 . 1 1 56 56 ASP N N 56 122.017 122.017 118.352 3.665 25944 3157 1 6 . 1 1 56 56 ASP HA H 56 4.337 4.337 3.350 0.987 25944 3158 1 6 . 1 1 56 56 ASP C C 56 177.692 177.692 178.027 -0.335 25944 3159 1 6 . 1 1 56 56 ASP CA C 56 58.337 58.337 56.576 1.761 25944 3160 1 6 . 1 1 56 56 ASP CB C 56 42.299 42.299 40.388 1.911 25944 3161 1 6 . 1 1 56 56 ASP H H 56 8.840 8.840 8.185 0.655 25944 3162 1 6 . 1 1 57 57 THR N N 57 114.652 114.652 114.756 -0.104 25944 3163 1 6 . 1 1 57 57 THR HA H 57 4.239 4.239 4.098 0.141 25944 3164 1 6 . 1 1 57 57 THR C C 57 176.138 176.138 175.438 0.700 25944 3165 1 6 . 1 1 57 57 THR CA C 57 67.433 67.433 64.471 2.962 25944 3166 1 6 . 1 1 57 57 THR CB C 57 68.636 68.636 69.260 -0.624 25944 3167 1 6 . 1 1 57 57 THR H H 57 8.148 8.148 7.595 0.553 25944 3168 1 6 . 1 1 58 58 PHE N N 58 124.453 124.453 123.280 1.173 25944 3169 1 6 . 1 1 58 58 PHE HA H 58 4.598 4.598 4.271 0.327 25944 3170 1 6 . 1 1 58 58 PHE C C 58 176.122 176.122 175.884 0.238 25944 3171 1 6 . 1 1 58 58 PHE CA C 58 59.150 59.150 60.429 -1.279 25944 3172 1 6 . 1 1 58 58 PHE CB C 58 38.571 38.571 38.934 -0.363 25944 3173 1 6 . 1 1 58 58 PHE H H 58 7.650 7.650 7.618 0.032 25944 3174 1 6 . 1 1 59 59 LEU N N 59 120.652 120.652 119.385 1.267 25944 3175 1 6 . 1 1 59 59 LEU HA H 59 3.423 3.423 3.207 0.216 25944 3176 1 6 . 1 1 59 59 LEU C C 59 179.603 179.603 178.991 0.612 25944 3177 1 6 . 1 1 59 59 LEU CA C 59 57.710 57.710 58.047 -0.338 25944 3178 1 6 . 1 1 59 59 LEU CB C 59 39.800 39.800 41.521 -1.721 25944 3179 1 6 . 1 1 59 59 LEU H H 59 8.543 8.543 8.198 0.345 25944 3180 1 6 . 1 1 60 60 LYS N N 60 119.870 119.870 118.863 1.007 25944 3181 1 6 . 1 1 60 60 LYS HA H 60 3.563 3.563 3.818 -0.255 25944 3182 1 6 . 1 1 60 60 LYS C C 60 178.258 178.258 178.641 -0.383 25944 3183 1 6 . 1 1 60 60 LYS CA C 60 59.797 59.797 59.003 0.794 25944 3184 1 6 . 1 1 60 60 LYS CB C 60 32.464 32.464 31.843 0.621 25944 3185 1 6 . 1 1 60 60 LYS H H 60 8.105 8.105 7.450 0.655 25944 3186 1 6 . 1 1 61 61 LEU N N 61 120.600 120.600 116.380 4.220 25944 3187 1 6 . 1 1 61 61 LEU HA H 61 4.117 4.117 4.004 0.113 25944 3188 1 6 . 1 1 61 61 LEU C C 61 178.029 178.029 177.158 0.871 25944 3189 1 6 . 1 1 61 61 LEU CA C 61 56.880 56.880 57.151 -0.271 25944 3190 1 6 . 1 1 61 61 LEU CB C 61 42.059 42.059 41.343 0.716 25944 3191 1 6 . 1 1 61 61 LEU H H 61 7.496 7.496 7.309 0.187 25944 3192 1 6 . 1 1 62 62 ALA N N 62 118.900 118.900 119.967 -1.067 25944 3193 1 6 . 1 1 62 62 ALA HA H 62 3.901 3.901 4.134 -0.233 25944 3194 1 6 . 1 1 62 62 ALA C C 62 178.505 178.505 177.908 0.597 25944 3195 1 6 . 1 1 62 62 ALA CA C 62 54.603 54.603 53.124 1.479 25944 3196 1 6 . 1 1 62 62 ALA CB C 62 19.400 19.400 19.137 0.263 25944 3197 1 6 . 1 1 62 62 ALA H H 62 7.827 7.827 7.553 0.274 25944 3198 1 6 . 1 1 63 63 SER N N 63 111.351 111.351 114.226 -2.875 25944 3199 1 6 . 1 1 63 63 SER HA H 63 3.390 3.390 4.599 -1.209 25944 3200 1 6 . 1 1 63 63 SER C C 63 170.257 170.257 173.862 -3.605 25944 3201 1 6 . 1 1 63 63 SER CA C 63 59.687 59.687 57.560 2.127 25944 3202 1 6 . 1 1 63 63 SER CB C 63 62.300 62.300 64.371 -2.071 25944 3203 1 6 . 1 1 63 63 SER H H 63 7.839 7.839 7.628 0.211 25944 3204 1 6 . 1 1 67 67 GLN N N 67 122.300 122.300 117.527 4.773 25944 3205 1 6 . 1 1 67 67 GLN HA H 67 4.009 4.009 4.029 -0.020 25944 3206 1 6 . 1 1 67 67 GLN C C 67 176.000 176.000 175.786 0.214 25944 3207 1 6 . 1 1 67 67 GLN CA C 67 56.950 56.950 56.392 0.558 25944 3208 1 6 . 1 1 67 67 GLN CB C 67 26.500 26.500 27.077 -0.577 25944 3209 1 6 . 1 1 67 67 GLN H H 67 8.201 8.201 7.666 0.535 25944 3210 1 6 . 1 1 68 68 GLY N N 68 105.200 105.200 105.667 -0.467 25944 3211 1 6 . 1 1 68 68 GLY C C 68 174.914 174.914 174.840 0.074 25944 3212 1 6 . 1 1 68 68 GLY CA C 68 45.622 45.622 45.290 0.332 25944 3213 1 6 . 1 1 68 68 GLY H H 68 8.512 8.512 8.266 0.246 25944 3214 1 6 . 1 1 69 69 ALA N N 69 125.585 125.585 126.319 -0.734 25944 3215 1 6 . 1 1 69 69 ALA HA H 69 4.020 4.020 4.113 -0.093 25944 3216 1 6 . 1 1 69 69 ALA C C 69 180.176 180.176 179.339 0.837 25944 3217 1 6 . 1 1 69 69 ALA CA C 69 55.000 55.000 54.282 0.718 25944 3218 1 6 . 1 1 69 69 ALA CB C 69 18.200 18.200 19.076 -0.876 25944 3219 1 6 . 1 1 69 69 ALA H H 69 8.046 8.046 8.512 -0.466 25944 3220 1 6 . 1 1 70 70 LYS N N 70 116.500 116.500 118.524 -2.024 25944 3221 1 6 . 1 1 70 70 LYS HA H 70 3.923 3.923 4.116 -0.193 25944 3222 1 6 . 1 1 70 70 LYS C C 70 176.800 176.800 178.178 -1.378 25944 3223 1 6 . 1 1 70 70 LYS CA C 70 58.530 58.530 57.827 0.703 25944 3224 1 6 . 1 1 70 70 LYS H H 70 7.928 7.928 8.565 -0.637 25944 3225 1 6 . 1 1 71 71 TYR N N 71 116.400 116.400 120.001 -3.601 25944 3226 1 6 . 1 1 71 71 TYR HA H 71 5.173 5.173 4.183 0.990 25944 3227 1 6 . 1 1 71 71 TYR C C 71 175.800 175.800 177.063 -1.263 25944 3228 1 6 . 1 1 71 71 TYR CA C 71 55.810 55.810 60.695 -4.885 25944 3229 1 6 . 1 1 71 71 TYR CB C 71 40.500 40.500 37.766 2.735 25944 3230 1 6 . 1 1 71 71 TYR H H 71 7.465 7.465 7.996 -0.531 25944 3231 1 6 . 1 1 72 72 ASN N N 72 120.200 120.200 115.252 4.948 25944 3232 1 6 . 1 1 72 72 ASN HA H 72 4.421 4.421 4.155 0.266 25944 3233 1 6 . 1 1 72 72 ASN C C 72 176.000 176.000 177.329 -1.329 25944 3234 1 6 . 1 1 72 72 ASN CA C 72 56.600 56.600 54.821 1.779 25944 3235 1 6 . 1 1 72 72 ASN CB C 72 38.690 38.690 38.416 0.274 25944 3236 1 6 . 1 1 72 72 ASN H H 72 7.675 7.675 7.684 -0.009 25944 3237 1 6 . 1 1 73 73 GLN N N 73 119.800 119.800 120.416 -0.616 25944 3238 1 6 . 1 1 73 73 GLN HA H 73 4.212 4.212 4.092 0.120 25944 3239 1 6 . 1 1 73 73 GLN C C 73 178.600 178.600 177.901 0.699 25944 3240 1 6 . 1 1 73 73 GLN CA C 73 59.610 59.610 58.663 0.947 25944 3241 1 6 . 1 1 73 73 GLN CB C 73 29.460 29.460 28.654 0.806 25944 3242 1 6 . 1 1 73 73 GLN H H 73 9.111 9.111 7.433 1.678 25944 3243 1 6 . 1 1 74 74 ILE N N 74 119.200 119.200 115.381 3.819 25944 3244 1 6 . 1 1 74 74 ILE HA H 74 4.409 4.409 3.961 0.448 25944 3245 1 6 . 1 1 74 74 ILE C C 74 177.100 177.100 177.329 -0.229 25944 3246 1 6 . 1 1 74 74 ILE CA C 74 63.410 63.410 63.029 0.381 25944 3247 1 6 . 1 1 74 74 ILE CB C 74 37.700 37.700 36.858 0.842 25944 3248 1 6 . 1 1 74 74 ILE H H 74 7.944 7.944 7.490 0.454 25944 3249 1 6 . 1 1 75 75 TYR N N 75 119.600 119.600 121.270 -1.670 25944 3250 1 6 . 1 1 75 75 TYR HA H 75 3.891 3.891 4.412 -0.521 25944 3251 1 6 . 1 1 75 75 TYR C C 75 176.800 176.800 176.720 0.080 25944 3252 1 6 . 1 1 75 75 TYR CA C 75 62.650 62.650 60.513 2.137 25944 3253 1 6 . 1 1 75 75 TYR CB C 75 38.950 38.950 39.115 -0.165 25944 3254 1 6 . 1 1 75 75 TYR H H 75 6.718 6.718 7.693 -0.975 25944 3255 1 6 . 1 1 76 76 ASN N N 76 115.900 115.900 118.941 -3.041 25944 3256 1 6 . 1 1 76 76 ASN HA H 76 4.385 4.385 4.338 0.047 25944 3257 1 6 . 1 1 76 76 ASN C C 76 178.600 178.600 177.405 1.195 25944 3258 1 6 . 1 1 76 76 ASN CA C 76 56.310 56.310 56.445 -0.135 25944 3259 1 6 . 1 1 76 76 ASN H H 76 8.901 8.901 8.023 0.878 25944 3260 1 6 . 1 1 77 77 SER N N 77 117.000 117.000 115.256 1.744 25944 3261 1 6 . 1 1 77 77 SER HA H 77 4.219 4.219 3.952 0.267 25944 3262 1 6 . 1 1 77 77 SER C C 77 176.800 176.800 176.152 0.648 25944 3263 1 6 . 1 1 77 77 SER CA C 77 62.600 62.600 61.521 1.079 25944 3264 1 6 . 1 1 77 77 SER H H 77 8.512 8.512 7.864 0.648 25944 3265 1 6 . 1 1 78 78 TYR N N 78 125.400 125.400 123.221 2.179 25944 3266 1 6 . 1 1 78 78 TYR HA H 78 4.379 4.379 4.496 -0.117 25944 3267 1 6 . 1 1 78 78 TYR C C 78 176.600 176.600 176.688 -0.088 25944 3268 1 6 . 1 1 78 78 TYR CA C 78 59.800 59.800 61.414 -1.614 25944 3269 1 6 . 1 1 78 78 TYR CB C 78 37.200 37.200 38.780 -1.580 25944 3270 1 6 . 1 1 78 78 TYR H H 78 8.299 8.299 8.179 0.120 25944 3271 1 6 . 1 1 79 79 MET N N 79 118.400 118.400 118.359 0.041 25944 3272 1 6 . 1 1 79 79 MET HA H 79 3.421 3.421 3.913 -0.492 25944 3273 1 6 . 1 1 79 79 MET C C 79 178.400 178.400 178.550 -0.150 25944 3274 1 6 . 1 1 79 79 MET CA C 79 60.400 60.400 58.439 1.961 25944 3275 1 6 . 1 1 79 79 MET CB C 79 32.750 32.750 32.239 0.511 25944 3276 1 6 . 1 1 79 79 MET H H 79 8.264 8.264 7.697 0.567 25944 3277 1 6 . 1 1 80 80 MET N N 80 117.172 117.172 116.347 0.825 25944 3278 1 6 . 1 1 80 80 MET HA H 80 4.136 4.136 4.061 0.075 25944 3279 1 6 . 1 1 80 80 MET C C 80 179.418 179.418 177.875 1.543 25944 3280 1 6 . 1 1 80 80 MET CA C 80 58.419 58.419 58.356 0.063 25944 3281 1 6 . 1 1 80 80 MET CB C 80 32.400 32.400 32.635 -0.235 25944 3282 1 6 . 1 1 80 80 MET H H 80 7.907 7.907 8.191 -0.284 25944 3283 1 6 . 1 1 81 81 HIS N N 81 121.510 121.510 118.022 3.488 25944 3284 1 6 . 1 1 81 81 HIS HA H 81 4.123 4.123 4.287 -0.164 25944 3285 1 6 . 1 1 81 81 HIS C C 81 177.339 177.339 178.009 -0.670 25944 3286 1 6 . 1 1 81 81 HIS CA C 81 60.130 60.130 59.122 1.008 25944 3287 1 6 . 1 1 81 81 HIS CB C 81 29.556 29.556 30.149 -0.593 25944 3288 1 6 . 1 1 81 81 HIS H H 81 8.115 8.115 7.495 0.620 25944 3289 1 6 . 1 1 82 82 LEU N N 82 117.015 117.015 117.108 -0.093 25944 3290 1 6 . 1 1 82 82 LEU HA H 82 3.856 3.856 4.078 -0.222 25944 3291 1 6 . 1 1 82 82 LEU C C 82 178.330 178.330 177.630 0.700 25944 3292 1 6 . 1 1 82 82 LEU CA C 82 56.000 56.000 55.760 0.240 25944 3293 1 6 . 1 1 82 82 LEU CB C 82 42.503 42.503 42.306 0.196 25944 3294 1 6 . 1 1 82 82 LEU H H 82 7.979 7.979 7.823 0.156 25944 3295 1 6 . 1 1 83 83 GLY N N 83 106.661 106.661 106.936 -0.275 25944 3296 1 6 . 1 1 83 83 GLY C C 83 174.964 174.964 175.279 -0.315 25944 3297 1 6 . 1 1 83 83 GLY CA C 83 45.799 45.799 46.075 -0.276 25944 3298 1 6 . 1 1 83 83 GLY H H 83 7.755 7.755 7.498 0.257 25944 3299 1 6 . 1 1 84 84 LEU N N 84 120.273 120.273 115.074 5.199 25944 3300 1 6 . 1 1 84 84 LEU HA H 84 4.399 4.399 4.546 -0.147 25944 3301 1 6 . 1 1 84 84 LEU C C 84 177.302 177.302 176.497 0.805 25944 3302 1 6 . 1 1 84 84 LEU CA C 84 55.048 55.048 54.514 0.534 25944 3303 1 6 . 1 1 84 84 LEU CB C 84 42.662 42.662 41.146 1.516 25944 3304 1 6 . 1 1 84 84 LEU H H 84 7.568 7.568 7.508 0.060 25944 3305 1 6 . 1 1 85 85 THR N N 85 111.602 111.602 114.245 -2.643 25944 3306 1 6 . 1 1 85 85 THR HA H 85 4.291 4.291 4.351 -0.060 25944 3307 1 6 . 1 1 85 85 THR C C 85 175.115 175.115 175.606 -0.491 25944 3308 1 6 . 1 1 85 85 THR CA C 85 62.122 62.122 63.837 -1.715 25944 3309 1 6 . 1 1 85 85 THR CB C 85 69.882 69.882 69.437 0.445 25944 3310 1 6 . 1 1 85 85 THR H H 85 8.005 8.005 7.315 0.690 25944 3311 1 6 . 1 1 86 86 GLY N N 86 110.816 110.816 111.542 -0.726 25944 3312 1 6 . 1 1 86 86 GLY C C 86 173.491 173.491 173.529 -0.038 25944 3313 1 6 . 1 1 86 86 GLY CA C 86 45.335 45.335 44.790 0.545 25944 3314 1 6 . 1 1 86 86 GLY H H 86 8.246 8.246 8.775 -0.529 25944 3315 1 6 . 1 1 87 87 TYR N N 87 119.845 119.845 119.843 0.002 25944 3316 1 6 . 1 1 87 87 TYR HA H 87 4.505 4.505 4.508 -0.003 25944 3317 1 6 . 1 1 87 87 TYR C C 87 175.166 175.166 176.374 -1.208 25944 3318 1 6 . 1 1 87 87 TYR CA C 87 58.010 58.010 59.147 -1.137 25944 3319 1 6 . 1 1 87 87 TYR CB C 87 39.058 39.058 39.232 -0.174 25944 3320 1 6 . 1 1 87 87 TYR H H 87 7.935 7.935 8.523 -0.588 25944 3321 1 6 . 1 1 88 88 GLU N N 88 125.299 125.299 118.870 6.429 25944 3322 1 6 . 1 1 88 88 GLU HA H 88 4.517 4.517 4.751 -0.234 25944 3323 1 6 . 1 1 88 88 GLU C C 88 174.024 174.024 174.301 -0.277 25944 3324 1 6 . 1 1 88 88 GLU CA C 88 53.851 53.851 54.106 -0.255 25944 3325 1 6 . 1 1 88 88 GLU CB C 88 30.050 30.050 30.207 -0.157 25944 3326 1 6 . 1 1 88 88 GLU H H 88 8.205 8.205 8.190 0.015 25944 3327 1 6 . 1 1 89 89 PRO HA H 89 4.302 4.302 4.496 -0.194 25944 3328 1 6 . 1 1 89 89 PRO C C 89 176.800 176.800 176.075 0.725 25944 3329 1 6 . 1 1 89 89 PRO CA C 89 63.237 63.237 62.981 0.256 25944 3330 1 6 . 1 1 89 89 PRO CB C 89 32.100 32.100 32.362 -0.262 25944 3331 1 6 . 1 1 90 90 ASN N N 90 118.411 118.411 119.705 -1.294 25944 3332 1 6 . 1 1 90 90 ASN HA H 90 4.658 4.658 4.982 -0.324 25944 3333 1 6 . 1 1 90 90 ASN C C 90 175.462 175.462 174.624 0.838 25944 3334 1 6 . 1 1 90 90 ASN CA C 90 53.497 53.497 52.579 0.918 25944 3335 1 6 . 1 1 90 90 ASN CB C 90 38.809 38.809 40.347 -1.538 25944 3336 1 6 . 1 1 90 90 ASN H H 90 8.649 8.649 8.540 0.109 25944 3337 1 6 . 1 1 91 91 SER N N 91 116.049 116.049 116.121 -0.072 25944 3338 1 6 . 1 1 91 91 SER HA H 91 4.396 4.396 4.761 -0.365 25944 3339 1 6 . 1 1 91 91 SER C C 91 174.844 174.844 174.295 0.549 25944 3340 1 6 . 1 1 91 91 SER CA C 91 58.769 58.769 57.693 1.076 25944 3341 1 6 . 1 1 91 91 SER CB C 91 63.927 63.927 64.681 -0.754 25944 3342 1 6 . 1 1 91 91 SER H H 91 8.255 8.255 8.305 -0.050 25944 3343 1 6 . 1 1 92 92 SER N N 92 117.736 117.736 120.321 -2.585 25944 3344 1 6 . 1 1 92 92 SER HA H 92 4.414 4.414 4.712 -0.298 25944 3345 1 6 . 1 1 92 92 SER C C 92 174.749 174.749 173.938 0.811 25944 3346 1 6 . 1 1 92 92 SER CA C 92 58.651 58.651 58.136 0.515 25944 3347 1 6 . 1 1 92 92 SER CB C 92 63.952 63.952 63.762 0.190 25944 3348 1 6 . 1 1 92 92 SER H H 92 8.399 8.399 8.499 -0.100 25944 3349 1 6 . 1 1 93 93 SER N N 93 117.731 117.731 116.551 1.180 25944 3350 1 6 . 1 1 93 93 SER HA H 93 4.437 4.437 4.645 -0.208 25944 3351 1 6 . 1 1 93 93 SER C C 93 174.918 174.918 172.511 2.407 25944 3352 1 6 . 1 1 93 93 SER CA C 93 58.696 58.696 57.651 1.045 25944 3353 1 6 . 1 1 93 93 SER CB C 93 63.822 63.822 64.328 -0.506 25944 3354 1 6 . 1 1 93 93 SER H H 93 8.308 8.308 8.372 -0.064 25944 3355 1 6 . 1 1 94 94 VAL N N 94 121.028 121.028 117.130 3.898 25944 3356 1 6 . 1 1 94 94 VAL HA H 94 4.020 4.020 4.417 -0.397 25944 3357 1 6 . 1 1 94 94 VAL C C 94 176.301 176.301 174.643 1.658 25944 3358 1 6 . 1 1 94 94 VAL CA C 94 63.176 63.176 62.124 1.052 25944 3359 1 6 . 1 1 94 94 VAL CB C 94 32.797 32.797 34.389 -1.592 25944 3360 1 6 . 1 1 94 94 VAL H H 94 8.026 8.026 8.226 -0.200 25944 3361 1 6 . 1 1 95 95 ASP N N 95 122.997 122.997 121.996 1.001 25944 3362 1 6 . 1 1 95 95 ASP HA H 95 4.537 4.537 4.659 -0.122 25944 3363 1 6 . 1 1 95 95 ASP C C 95 176.937 176.937 176.418 0.519 25944 3364 1 6 . 1 1 95 95 ASP CA C 95 54.806 54.806 53.620 1.186 25944 3365 1 6 . 1 1 95 95 ASP CB C 95 41.014 41.014 41.529 -0.515 25944 3366 1 6 . 1 1 95 95 ASP H H 95 8.274 8.274 8.414 -0.140 25944 3367 1 6 . 1 1 96 96 LYS N N 96 121.796 121.796 120.095 1.701 25944 3368 1 6 . 1 1 96 96 LYS HA H 96 4.163 4.163 4.084 0.079 25944 3369 1 6 . 1 1 96 96 LYS C C 96 177.534 177.534 177.394 0.140 25944 3370 1 6 . 1 1 96 96 LYS CA C 96 57.500 57.500 57.883 -0.383 25944 3371 1 6 . 1 1 96 96 LYS CB C 96 32.171 32.171 32.003 0.168 25944 3372 1 6 . 1 1 96 96 LYS H H 96 8.159 8.159 8.233 -0.074 25944 3373 1 6 . 1 1 97 97 LEU N N 97 121.703 121.703 117.847 3.856 25944 3374 1 6 . 1 1 97 97 LEU HA H 97 4.216 4.216 4.252 -0.036 25944 3375 1 6 . 1 1 97 97 LEU C C 97 177.892 177.892 178.560 -0.668 25944 3376 1 6 . 1 1 97 97 LEU CA C 97 56.024 56.024 56.332 -0.308 25944 3377 1 6 . 1 1 97 97 LEU CB C 97 41.755 41.755 41.837 -0.083 25944 3378 1 6 . 1 1 97 97 LEU H H 97 8.097 8.097 7.587 0.510 25944 3379 1 6 . 1 1 98 98 ALA N N 98 123.261 123.261 121.359 1.902 25944 3380 1 6 . 1 1 98 98 ALA HA H 98 4.158 4.158 4.162 -0.004 25944 3381 1 6 . 1 1 98 98 ALA C C 98 178.590 178.590 178.063 0.527 25944 3382 1 6 . 1 1 98 98 ALA CA C 98 53.201 53.201 53.400 -0.199 25944 3383 1 6 . 1 1 98 98 ALA CB C 98 18.643 18.643 18.643 -0.000 25944 3384 1 6 . 1 1 98 98 ALA H H 98 7.998 7.998 7.898 0.100 25944 3385 1 6 . 1 1 99 99 ALA N N 99 121.686 121.686 121.042 0.644 25944 3386 1 6 . 1 1 99 99 ALA HA H 99 4.173 4.173 4.514 -0.341 25944 3387 1 6 . 1 1 99 99 ALA C C 99 178.303 178.303 175.486 2.817 25944 3388 1 6 . 1 1 99 99 ALA CA C 99 53.182 53.182 51.895 1.287 25944 3389 1 6 . 1 1 99 99 ALA CB C 99 18.638 18.638 20.092 -1.454 25944 3390 1 6 . 1 1 99 99 ALA H H 99 8.009 8.009 7.492 0.517 25944 3391 1 6 . 1 1 100 100 ALA N N 100 121.570 121.570 122.443 -0.873 25944 3392 1 6 . 1 1 100 100 ALA HA H 100 4.218 4.218 4.435 -0.217 25944 3393 1 6 . 1 1 100 100 ALA C C 100 178.276 178.276 175.368 2.908 25944 3394 1 6 . 1 1 100 100 ALA CA C 100 52.889 52.889 51.744 1.145 25944 3395 1 6 . 1 1 100 100 ALA CB C 100 18.756 18.756 20.002 -1.246 25944 3396 1 6 . 1 1 100 100 ALA H H 100 7.950 7.950 8.050 -0.100 25944 3397 1 6 . 1 1 101 101 LEU N N 101 120.160 120.160 121.429 -1.269 25944 3398 1 6 . 1 1 101 101 LEU HA H 101 4.223 4.223 4.923 -0.700 25944 3399 1 6 . 1 1 101 101 LEU C C 101 177.673 177.673 177.774 -0.101 25944 3400 1 6 . 1 1 101 101 LEU CA C 101 55.529 55.529 54.383 1.146 25944 3401 1 6 . 1 1 101 101 LEU CB C 101 42.213 42.213 43.141 -0.928 25944 3402 1 6 . 1 1 101 101 LEU H H 101 7.931 7.931 9.034 -1.103 25944 3403 1 7 . 1 1 2 2 ASN N N 2 118.138 118.138 119.047 -0.909 25944 3404 1 7 . 1 1 2 2 ASN HA H 2 4.638 4.638 4.561 0.077 25944 3405 1 7 . 1 1 2 2 ASN C C 2 174.541 174.541 174.074 0.467 25944 3406 1 7 . 1 1 2 2 ASN CA C 2 53.194 53.194 53.603 -0.409 25944 3407 1 7 . 1 1 2 2 ASN CB C 2 39.191 39.191 37.842 1.349 25944 3408 1 7 . 1 1 2 2 ASN H H 2 8.331 8.331 8.635 -0.304 25944 3409 1 7 . 1 1 3 3 PHE N N 3 121.233 121.233 117.400 3.833 25944 3410 1 7 . 1 1 3 3 PHE HA H 3 4.418 4.418 4.652 -0.234 25944 3411 1 7 . 1 1 3 3 PHE C C 3 174.939 174.939 175.507 -0.568 25944 3412 1 7 . 1 1 3 3 PHE CA C 3 57.817 57.817 56.416 1.401 25944 3413 1 7 . 1 1 3 3 PHE CB C 3 39.377 39.377 39.916 -0.539 25944 3414 1 7 . 1 1 3 3 PHE H H 3 8.358 8.358 7.658 0.700 25944 3415 1 7 . 1 1 4 4 ASN N N 4 121.091 121.091 117.580 3.511 25944 3416 1 7 . 1 1 4 4 ASN HA H 4 4.614 4.614 4.479 0.135 25944 3417 1 7 . 1 1 4 4 ASN C C 4 175.107 175.107 174.905 0.202 25944 3418 1 7 . 1 1 4 4 ASN CA C 4 52.869 52.869 53.475 -0.606 25944 3419 1 7 . 1 1 4 4 ASN CB C 4 38.853 38.853 37.362 1.491 25944 3420 1 7 . 1 1 4 4 ASN H H 4 8.333 8.333 8.871 -0.538 25944 3421 1 7 . 1 1 5 5 LEU N N 5 123.882 123.882 119.854 4.028 25944 3422 1 7 . 1 1 5 5 LEU HA H 5 4.597 4.597 4.034 0.563 25944 3423 1 7 . 1 1 5 5 LEU C C 5 177.372 177.372 178.198 -0.826 25944 3424 1 7 . 1 1 5 5 LEU CA C 5 56.030 56.030 56.438 -0.408 25944 3425 1 7 . 1 1 5 5 LEU CB C 5 41.775 41.775 41.669 0.106 25944 3426 1 7 . 1 1 5 5 LEU H H 5 8.259 8.259 8.399 -0.140 25944 3427 1 7 . 1 1 6 6 ALA N N 6 122.630 122.630 118.247 4.383 25944 3428 1 7 . 1 1 6 6 ALA HA H 6 4.213 4.213 4.021 0.192 25944 3429 1 7 . 1 1 6 6 ALA C C 6 178.088 178.088 177.515 0.573 25944 3430 1 7 . 1 1 6 6 ALA CA C 6 53.201 53.201 52.552 0.649 25944 3431 1 7 . 1 1 6 6 ALA CB C 6 18.533 18.533 17.843 0.690 25944 3432 1 7 . 1 1 6 6 ALA H H 6 8.132 8.132 8.155 -0.023 25944 3433 1 7 . 1 1 7 7 SER N N 7 113.309 113.309 111.722 1.587 25944 3434 1 7 . 1 1 7 7 SER HA H 7 4.333 4.333 4.531 -0.198 25944 3435 1 7 . 1 1 7 7 SER C C 7 174.347 174.347 172.506 1.841 25944 3436 1 7 . 1 1 7 7 SER CA C 7 58.244 58.244 58.399 -0.155 25944 3437 1 7 . 1 1 7 7 SER CB C 7 63.655 63.655 64.106 -0.451 25944 3438 1 7 . 1 1 7 7 SER H H 7 7.866 7.866 7.706 0.160 25944 3439 1 7 . 1 1 8 8 LEU N N 8 123.236 123.236 120.383 2.853 25944 3440 1 7 . 1 1 8 8 LEU HA H 8 4.156 4.156 4.812 -0.656 25944 3441 1 7 . 1 1 8 8 LEU C C 8 176.617 176.617 175.282 1.335 25944 3442 1 7 . 1 1 8 8 LEU CA C 8 55.368 55.368 55.028 0.340 25944 3443 1 7 . 1 1 8 8 LEU CB C 8 42.800 42.800 44.376 -1.576 25944 3444 1 7 . 1 1 8 8 LEU H H 8 7.786 7.786 8.367 -0.581 25944 3445 1 7 . 1 1 9 9 ASN N N 9 120.087 120.087 119.652 0.435 25944 3446 1 7 . 1 1 9 9 ASN HA H 9 4.502 4.502 4.881 -0.379 25944 3447 1 7 . 1 1 9 9 ASN C C 9 175.557 175.557 174.534 1.023 25944 3448 1 7 . 1 1 9 9 ASN CA C 9 52.922 52.922 53.035 -0.113 25944 3449 1 7 . 1 1 9 9 ASN CB C 9 38.529 38.529 39.871 -1.342 25944 3450 1 7 . 1 1 9 9 ASN H H 9 8.127 8.127 8.709 -0.582 25944 3451 1 7 . 1 1 10 10 GLU N N 10 121.943 121.943 119.684 2.259 25944 3452 1 7 . 1 1 10 10 GLU HA H 10 3.419 3.419 4.698 -1.279 25944 3453 1 7 . 1 1 10 10 GLU C C 10 176.176 176.176 176.324 -0.148 25944 3454 1 7 . 1 1 10 10 GLU CA C 10 58.261 58.261 57.562 0.699 25944 3455 1 7 . 1 1 10 10 GLU CB C 10 29.371 29.371 29.973 -0.602 25944 3456 1 7 . 1 1 10 10 GLU H H 10 8.479 8.479 8.403 0.076 25944 3457 1 7 . 1 1 11 11 GLU N N 11 117.932 117.932 116.098 1.834 25944 3458 1 7 . 1 1 11 11 GLU HA H 11 3.893 3.893 4.322 -0.429 25944 3459 1 7 . 1 1 11 11 GLU C C 11 178.292 178.292 176.096 2.196 25944 3460 1 7 . 1 1 11 11 GLU CA C 11 57.418 57.418 56.525 0.893 25944 3461 1 7 . 1 1 11 11 GLU CB C 11 28.967 28.967 28.543 0.424 25944 3462 1 7 . 1 1 11 11 GLU H H 11 7.876 7.876 8.373 -0.497 25944 3463 1 7 . 1 1 12 12 MET N N 12 118.969 118.969 117.295 1.674 25944 3464 1 7 . 1 1 12 12 MET HA H 12 3.810 3.810 3.909 -0.099 25944 3465 1 7 . 1 1 12 12 MET C C 12 175.419 175.419 174.981 0.438 25944 3466 1 7 . 1 1 12 12 MET CA C 12 57.481 57.481 55.570 1.911 25944 3467 1 7 . 1 1 12 12 MET CB C 12 32.160 32.160 31.884 0.276 25944 3468 1 7 . 1 1 12 12 MET H H 12 7.524 7.524 7.404 0.120 25944 3469 1 7 . 1 1 13 13 PHE N N 13 113.294 113.294 113.314 -0.020 25944 3470 1 7 . 1 1 13 13 PHE HA H 13 4.463 4.463 4.445 0.018 25944 3471 1 7 . 1 1 13 13 PHE C C 13 176.009 176.009 174.764 1.245 25944 3472 1 7 . 1 1 13 13 PHE CA C 13 54.932 54.932 57.338 -2.406 25944 3473 1 7 . 1 1 13 13 PHE CB C 13 37.856 37.856 39.160 -1.304 25944 3474 1 7 . 1 1 13 13 PHE H H 13 6.975 6.975 6.687 0.288 25944 3475 1 7 . 1 1 14 14 ASN N N 14 116.706 116.706 119.474 -2.768 25944 3476 1 7 . 1 1 14 14 ASN HA H 14 4.778 4.778 5.020 -0.242 25944 3477 1 7 . 1 1 14 14 ASN C C 14 176.202 176.202 176.644 -0.442 25944 3478 1 7 . 1 1 14 14 ASN CA C 14 52.333 52.333 53.758 -1.425 25944 3479 1 7 . 1 1 14 14 ASN CB C 14 36.421 36.421 38.133 -1.712 25944 3480 1 7 . 1 1 14 14 ASN H H 14 7.211 7.211 8.196 -0.985 25944 3481 1 7 . 1 1 15 15 VAL N N 15 121.352 121.352 114.450 6.902 25944 3482 1 7 . 1 1 15 15 VAL HA H 15 3.642 3.642 3.637 0.005 25944 3483 1 7 . 1 1 15 15 VAL C C 15 177.523 177.523 175.997 1.526 25944 3484 1 7 . 1 1 15 15 VAL CA C 15 63.407 63.407 64.414 -1.007 25944 3485 1 7 . 1 1 15 15 VAL CB C 15 31.120 31.120 30.559 0.561 25944 3486 1 7 . 1 1 15 15 VAL H H 15 7.971 7.971 8.924 -0.953 25944 3487 1 7 . 1 1 16 16 ALA N N 16 124.345 124.345 119.927 4.418 25944 3488 1 7 . 1 1 16 16 ALA HA H 16 4.170 4.170 4.389 -0.219 25944 3489 1 7 . 1 1 16 16 ALA C C 16 178.288 178.288 177.635 0.653 25944 3490 1 7 . 1 1 16 16 ALA CA C 16 54.170 54.170 53.016 1.154 25944 3491 1 7 . 1 1 16 16 ALA CB C 16 17.945 17.945 19.126 -1.181 25944 3492 1 7 . 1 1 16 16 ALA H H 16 8.414 8.414 7.977 0.437 25944 3493 1 7 . 1 1 17 17 ALA N N 17 116.960 116.960 120.369 -3.409 25944 3494 1 7 . 1 1 17 17 ALA HA H 17 4.309 4.309 4.625 -0.316 25944 3495 1 7 . 1 1 17 17 ALA C C 17 177.660 177.660 177.279 0.381 25944 3496 1 7 . 1 1 17 17 ALA CA C 17 51.666 51.666 51.892 -0.226 25944 3497 1 7 . 1 1 17 17 ALA CB C 17 19.331 19.331 20.547 -1.216 25944 3498 1 7 . 1 1 17 17 ALA H H 17 7.099 7.099 8.107 -1.008 25944 3499 1 7 . 1 1 18 18 LEU N N 18 119.640 119.640 119.945 -0.305 25944 3500 1 7 . 1 1 18 18 LEU HA H 18 4.479 4.479 4.635 -0.156 25944 3501 1 7 . 1 1 18 18 LEU C C 18 176.424 176.424 175.892 0.532 25944 3502 1 7 . 1 1 18 18 LEU CA C 18 54.960 54.960 55.208 -0.248 25944 3503 1 7 . 1 1 18 18 LEU CB C 18 42.000 42.000 42.840 -0.840 25944 3504 1 7 . 1 1 18 18 LEU H H 18 7.256 7.256 7.839 -0.583 25944 3505 1 7 . 1 1 19 19 THR N N 19 110.240 110.240 115.242 -5.002 25944 3506 1 7 . 1 1 19 19 THR HA H 19 4.389 4.389 4.546 -0.157 25944 3507 1 7 . 1 1 19 19 THR C C 19 174.905 174.905 174.128 0.777 25944 3508 1 7 . 1 1 19 19 THR CA C 19 61.970 61.970 61.799 0.171 25944 3509 1 7 . 1 1 19 19 THR CB C 19 70.500 70.500 70.585 -0.085 25944 3510 1 7 . 1 1 19 19 THR H H 19 8.319 8.319 8.250 0.069 25944 3511 1 7 . 1 1 20 20 LYS N N 20 121.645 121.645 124.057 -2.412 25944 3512 1 7 . 1 1 20 20 LYS HA H 20 4.724 4.724 4.353 0.371 25944 3513 1 7 . 1 1 20 20 LYS C C 20 177.100 177.100 176.885 0.215 25944 3514 1 7 . 1 1 20 20 LYS CA C 20 54.890 54.890 56.656 -1.766 25944 3515 1 7 . 1 1 20 20 LYS CB C 20 33.700 33.700 35.346 -1.646 25944 3516 1 7 . 1 1 20 20 LYS H H 20 7.854 7.854 8.433 -0.579 25944 3517 1 7 . 1 1 21 21 ARG N N 21 126.200 126.200 122.393 3.807 25944 3518 1 7 . 1 1 21 21 ARG HA H 21 3.831 3.831 4.107 -0.276 25944 3519 1 7 . 1 1 21 21 ARG C C 21 178.431 178.431 176.910 1.521 25944 3520 1 7 . 1 1 21 21 ARG CA C 21 60.280 60.280 58.600 1.679 25944 3521 1 7 . 1 1 21 21 ARG CB C 21 30.600 30.600 30.200 0.400 25944 3522 1 7 . 1 1 21 21 ARG H H 21 9.171 9.171 8.650 0.521 25944 3523 1 7 . 1 1 22 22 ALA N N 22 118.555 118.555 123.318 -4.763 25944 3524 1 7 . 1 1 22 22 ALA HA H 22 4.053 4.053 4.155 -0.102 25944 3525 1 7 . 1 1 22 22 ALA C C 22 180.573 180.573 179.240 1.333 25944 3526 1 7 . 1 1 22 22 ALA CA C 22 55.480 55.480 54.425 1.055 25944 3527 1 7 . 1 1 22 22 ALA CB C 22 18.700 18.700 18.371 0.329 25944 3528 1 7 . 1 1 22 22 ALA H H 22 8.982 8.982 8.099 0.883 25944 3529 1 7 . 1 1 23 23 ASP N N 23 116.363 116.363 119.049 -2.686 25944 3530 1 7 . 1 1 23 23 ASP HA H 23 4.455 4.455 4.395 0.060 25944 3531 1 7 . 1 1 23 23 ASP C C 23 178.418 178.418 178.313 0.105 25944 3532 1 7 . 1 1 23 23 ASP CA C 23 56.697 56.697 57.198 -0.501 25944 3533 1 7 . 1 1 23 23 ASP CB C 23 41.260 41.260 40.452 0.808 25944 3534 1 7 . 1 1 23 23 ASP H H 23 6.880 6.880 8.534 -1.654 25944 3535 1 7 . 1 1 24 24 ALA N N 24 124.072 124.072 121.023 3.049 25944 3536 1 7 . 1 1 24 24 ALA HA H 24 4.307 4.307 4.389 -0.082 25944 3537 1 7 . 1 1 24 24 ALA C C 24 178.301 178.301 179.759 -1.458 25944 3538 1 7 . 1 1 24 24 ALA CA C 24 55.376 55.376 55.216 0.160 25944 3539 1 7 . 1 1 24 24 ALA CB C 24 17.900 17.900 18.505 -0.605 25944 3540 1 7 . 1 1 24 24 ALA H H 24 7.882 7.882 7.789 0.093 25944 3541 1 7 . 1 1 25 25 LYS N N 25 118.064 118.064 117.505 0.559 25944 3542 1 7 . 1 1 25 25 LYS HA H 25 3.748 3.748 4.021 -0.273 25944 3543 1 7 . 1 1 25 25 LYS C C 25 177.149 177.149 178.565 -1.416 25944 3544 1 7 . 1 1 25 25 LYS CA C 25 60.613 60.613 59.188 1.425 25944 3545 1 7 . 1 1 25 25 LYS CB C 25 32.433 32.433 32.224 0.209 25944 3546 1 7 . 1 1 25 25 LYS H H 25 8.799 8.799 7.970 0.829 25944 3547 1 7 . 1 1 26 26 LYS N N 26 116.995 116.995 120.199 -3.204 25944 3548 1 7 . 1 1 26 26 LYS HA H 26 3.919 3.919 4.162 -0.243 25944 3549 1 7 . 1 1 26 26 LYS C C 26 179.262 179.262 178.838 0.424 25944 3550 1 7 . 1 1 26 26 LYS CA C 26 59.980 59.980 58.975 1.005 25944 3551 1 7 . 1 1 26 26 LYS CB C 26 32.370 32.370 32.198 0.172 25944 3552 1 7 . 1 1 26 26 LYS H H 26 7.507 7.507 7.700 -0.193 25944 3553 1 7 . 1 1 27 27 LEU N N 27 118.319 118.319 120.368 -2.049 25944 3554 1 7 . 1 1 27 27 LEU HA H 27 4.387 4.387 4.089 0.298 25944 3555 1 7 . 1 1 27 27 LEU C C 27 178.187 178.187 179.153 -0.966 25944 3556 1 7 . 1 1 27 27 LEU CA C 27 57.928 57.928 58.035 -0.107 25944 3557 1 7 . 1 1 27 27 LEU CB C 27 40.941 40.941 42.249 -1.308 25944 3558 1 7 . 1 1 27 27 LEU H H 27 7.359 7.359 8.514 -1.155 25944 3559 1 7 . 1 1 28 28 ALA N N 28 121.257 121.257 119.678 1.579 25944 3560 1 7 . 1 1 28 28 ALA HA H 28 3.677 3.677 4.338 -0.661 25944 3561 1 7 . 1 1 28 28 ALA C C 28 179.000 179.000 178.914 0.086 25944 3562 1 7 . 1 1 28 28 ALA CA C 28 56.364 56.364 54.781 1.583 25944 3563 1 7 . 1 1 28 28 ALA CB C 28 16.138 16.138 17.898 -1.760 25944 3564 1 7 . 1 1 28 28 ALA H H 28 8.571 8.571 8.112 0.459 25944 3565 1 7 . 1 1 29 29 LYS N N 29 114.495 114.495 119.919 -5.424 25944 3566 1 7 . 1 1 29 29 LYS HA H 29 3.834 3.834 3.956 -0.122 25944 3567 1 7 . 1 1 29 29 LYS C C 29 180.597 180.597 179.344 1.253 25944 3568 1 7 . 1 1 29 29 LYS CA C 29 60.073 60.073 59.398 0.675 25944 3569 1 7 . 1 1 29 29 LYS CB C 29 32.334 32.334 32.210 0.124 25944 3570 1 7 . 1 1 29 29 LYS H H 29 8.312 8.312 7.714 0.598 25944 3571 1 7 . 1 1 30 30 GLN N N 30 119.983 119.983 117.842 2.141 25944 3572 1 7 . 1 1 30 30 GLN HA H 30 4.120 4.120 4.165 -0.045 25944 3573 1 7 . 1 1 30 30 GLN C C 30 179.114 179.114 178.250 0.864 25944 3574 1 7 . 1 1 30 30 GLN CA C 30 59.063 59.063 58.587 0.476 25944 3575 1 7 . 1 1 30 30 GLN CB C 30 29.010 29.010 28.159 0.851 25944 3576 1 7 . 1 1 30 30 GLN H H 30 7.793 7.793 7.761 0.032 25944 3577 1 7 . 1 1 31 31 LEU N N 31 117.633 117.633 119.479 -1.846 25944 3578 1 7 . 1 1 31 31 LEU HA H 31 3.927 3.927 4.325 -0.398 25944 3579 1 7 . 1 1 31 31 LEU C C 31 178.747 178.747 177.978 0.769 25944 3580 1 7 . 1 1 31 31 LEU CA C 31 57.608 57.608 56.715 0.893 25944 3581 1 7 . 1 1 31 31 LEU CB C 31 41.099 41.099 42.397 -1.298 25944 3582 1 7 . 1 1 31 31 LEU H H 31 8.348 8.348 7.268 1.080 25944 3583 1 7 . 1 1 32 32 MET N N 32 115.087 115.087 114.469 0.618 25944 3584 1 7 . 1 1 32 32 MET HA H 32 4.291 4.291 4.568 -0.277 25944 3585 1 7 . 1 1 32 32 MET C C 32 178.337 178.337 176.831 1.506 25944 3586 1 7 . 1 1 32 32 MET CA C 32 56.190 56.190 56.308 -0.118 25944 3587 1 7 . 1 1 32 32 MET CB C 32 33.237 33.237 32.925 0.312 25944 3588 1 7 . 1 1 32 32 MET H H 32 8.083 8.083 8.015 0.068 25944 3589 1 7 . 1 1 33 33 GLY N N 33 102.979 102.979 108.319 -5.340 25944 3590 1 7 . 1 1 33 33 GLY C C 33 173.716 173.716 174.118 -0.402 25944 3591 1 7 . 1 1 33 33 GLY CA C 33 45.341 45.341 45.119 0.222 25944 3592 1 7 . 1 1 33 33 GLY H H 33 7.514 7.514 7.538 -0.024 25944 3593 1 7 . 1 1 34 34 ASN N N 34 117.931 117.931 122.235 -4.304 25944 3594 1 7 . 1 1 34 34 ASN HA H 34 4.911 4.911 4.817 0.094 25944 3595 1 7 . 1 1 34 34 ASN C C 34 173.721 173.721 175.582 -1.861 25944 3596 1 7 . 1 1 34 34 ASN CA C 34 52.465 52.465 53.538 -1.073 25944 3597 1 7 . 1 1 34 34 ASN CB C 34 39.303 39.303 38.947 0.356 25944 3598 1 7 . 1 1 34 34 ASN H H 34 7.176 7.176 8.271 -1.095 25944 3599 1 7 . 1 1 35 35 ASP N N 35 125.367 125.367 126.840 -1.473 25944 3600 1 7 . 1 1 35 35 ASP HA H 35 4.396 4.396 4.329 0.067 25944 3601 1 7 . 1 1 35 35 ASP C C 35 177.810 177.810 177.574 0.236 25944 3602 1 7 . 1 1 35 35 ASP CA C 35 57.193 57.193 57.982 -0.789 25944 3603 1 7 . 1 1 35 35 ASP CB C 35 40.007 40.007 40.850 -0.843 25944 3604 1 7 . 1 1 35 35 ASP H H 35 8.857 8.857 8.762 0.095 25944 3605 1 7 . 1 1 36 36 LYS N N 36 119.269 119.269 119.911 -0.642 25944 3606 1 7 . 1 1 36 36 LYS HA H 36 4.146 4.146 4.143 0.003 25944 3607 1 7 . 1 1 36 36 LYS C C 36 179.704 179.704 178.019 1.685 25944 3608 1 7 . 1 1 36 36 LYS CA C 36 58.391 58.391 58.476 -0.085 25944 3609 1 7 . 1 1 36 36 LYS CB C 36 31.904 31.904 30.892 1.012 25944 3610 1 7 . 1 1 36 36 LYS H H 36 7.972 7.972 8.506 -0.534 25944 3611 1 7 . 1 1 37 37 LEU N N 37 122.961 122.961 120.966 1.995 25944 3612 1 7 . 1 1 37 37 LEU HA H 37 3.938 3.938 4.364 -0.426 25944 3613 1 7 . 1 1 37 37 LEU C C 37 177.699 177.699 178.351 -0.652 25944 3614 1 7 . 1 1 37 37 LEU CA C 37 56.863 56.863 56.354 0.509 25944 3615 1 7 . 1 1 37 37 LEU CB C 37 42.072 42.072 41.806 0.266 25944 3616 1 7 . 1 1 37 37 LEU H H 37 7.370 7.370 7.330 0.040 25944 3617 1 7 . 1 1 38 38 ALA N N 38 120.603 120.603 121.535 -0.932 25944 3618 1 7 . 1 1 38 38 ALA HA H 38 3.270 3.270 3.889 -0.619 25944 3619 1 7 . 1 1 38 38 ALA C C 38 176.450 176.450 179.555 -3.105 25944 3620 1 7 . 1 1 38 38 ALA CA C 38 55.268 55.268 55.305 -0.037 25944 3621 1 7 . 1 1 38 38 ALA CB C 38 16.619 16.619 17.943 -1.324 25944 3622 1 7 . 1 1 38 38 ALA H H 38 7.918 7.918 8.465 -0.547 25944 3623 1 7 . 1 1 39 39 ASP N N 39 113.981 113.981 119.370 -5.389 25944 3624 1 7 . 1 1 39 39 ASP HA H 39 4.082 4.082 4.582 -0.500 25944 3625 1 7 . 1 1 39 39 ASP C C 39 178.258 178.258 177.998 0.260 25944 3626 1 7 . 1 1 39 39 ASP CA C 39 57.308 57.308 57.531 -0.223 25944 3627 1 7 . 1 1 39 39 ASP CB C 39 40.859 40.859 40.741 0.118 25944 3628 1 7 . 1 1 39 39 ASP H H 39 7.594 7.594 8.341 -0.747 25944 3629 1 7 . 1 1 40 40 ALA N N 40 119.475 119.475 120.508 -1.033 25944 3630 1 7 . 1 1 40 40 ALA HA H 40 3.831 3.831 4.321 -0.490 25944 3631 1 7 . 1 1 40 40 ALA C C 40 179.459 179.459 178.926 0.533 25944 3632 1 7 . 1 1 40 40 ALA CA C 40 54.590 54.590 53.941 0.649 25944 3633 1 7 . 1 1 40 40 ALA CB C 40 17.241 17.241 18.599 -1.358 25944 3634 1 7 . 1 1 40 40 ALA H H 40 6.934 6.934 7.623 -0.689 25944 3635 1 7 . 1 1 41 41 ALA N N 41 124.918 124.918 123.393 1.525 25944 3636 1 7 . 1 1 41 41 ALA HA H 41 1.920 1.920 3.076 -1.156 25944 3637 1 7 . 1 1 41 41 ALA C C 41 177.309 177.309 177.981 -0.672 25944 3638 1 7 . 1 1 41 41 ALA CA C 41 54.473 54.473 54.154 0.319 25944 3639 1 7 . 1 1 41 41 ALA CB C 41 16.412 16.412 18.259 -1.847 25944 3640 1 7 . 1 1 41 41 ALA H H 41 7.384 7.384 7.659 -0.275 25944 3641 1 7 . 1 1 42 42 TYR N N 42 115.340 115.340 117.296 -1.956 25944 3642 1 7 . 1 1 42 42 TYR HA H 42 4.164 4.164 4.512 -0.348 25944 3643 1 7 . 1 1 42 42 TYR C C 42 179.228 179.228 177.599 1.629 25944 3644 1 7 . 1 1 42 42 TYR CA C 42 58.300 58.300 60.836 -2.536 25944 3645 1 7 . 1 1 42 42 TYR CB C 42 35.365 35.365 38.082 -2.717 25944 3646 1 7 . 1 1 42 42 TYR H H 42 7.639 7.639 8.463 -0.824 25944 3647 1 7 . 1 1 43 43 ILE N N 43 117.754 117.754 118.043 -0.289 25944 3648 1 7 . 1 1 43 43 ILE HA H 43 3.839 3.839 3.592 0.247 25944 3649 1 7 . 1 1 43 43 ILE C C 43 178.090 178.090 177.108 0.982 25944 3650 1 7 . 1 1 43 43 ILE CA C 43 64.721 64.721 60.858 3.863 25944 3651 1 7 . 1 1 43 43 ILE CB C 43 39.511 39.511 36.955 2.556 25944 3652 1 7 . 1 1 43 43 ILE H H 43 7.321 7.321 7.070 0.251 25944 3653 1 7 . 1 1 44 44 TRP N N 44 124.439 124.439 123.656 0.783 25944 3654 1 7 . 1 1 44 44 TRP HA H 44 4.049 4.049 4.311 -0.262 25944 3655 1 7 . 1 1 44 44 TRP C C 44 181.073 181.073 178.215 2.858 25944 3656 1 7 . 1 1 44 44 TRP CA C 44 63.008 63.008 61.107 1.901 25944 3657 1 7 . 1 1 44 44 TRP CB C 44 30.286 30.286 29.430 0.856 25944 3658 1 7 . 1 1 44 44 TRP H H 44 8.016 8.016 7.432 0.584 25944 3659 1 7 . 1 1 45 45 TRP N N 45 121.640 121.640 118.558 3.082 25944 3660 1 7 . 1 1 45 45 TRP HA H 45 4.537 4.537 4.533 0.004 25944 3661 1 7 . 1 1 45 45 TRP C C 45 178.515 178.515 179.274 -0.759 25944 3662 1 7 . 1 1 45 45 TRP CA C 45 58.862 58.862 59.902 -1.040 25944 3663 1 7 . 1 1 45 45 TRP CB C 45 28.572 28.572 28.482 0.090 25944 3664 1 7 . 1 1 45 45 TRP H H 45 10.044 10.044 7.928 2.116 25944 3665 1 7 . 1 1 46 46 GLN N N 46 120.394 120.394 118.524 1.870 25944 3666 1 7 . 1 1 46 46 GLN HA H 46 4.276 4.276 3.953 0.323 25944 3667 1 7 . 1 1 46 46 GLN C C 46 180.992 180.992 178.393 2.599 25944 3668 1 7 . 1 1 46 46 GLN CA C 46 59.809 59.809 58.986 0.823 25944 3669 1 7 . 1 1 46 46 GLN CB C 46 26.732 26.732 28.079 -1.347 25944 3670 1 7 . 1 1 46 46 GLN H H 46 8.652 8.652 8.353 0.299 25944 3671 1 7 . 1 1 47 47 HIS N N 47 118.999 118.999 118.731 0.268 25944 3672 1 7 . 1 1 47 47 HIS HA H 47 4.304 4.304 4.263 0.041 25944 3673 1 7 . 1 1 47 47 HIS C C 47 175.745 175.745 175.936 -0.191 25944 3674 1 7 . 1 1 47 47 HIS CA C 47 53.405 53.405 57.764 -4.359 25944 3675 1 7 . 1 1 47 47 HIS CB C 47 28.839 28.839 29.711 -0.872 25944 3676 1 7 . 1 1 47 47 HIS H H 47 8.640 8.640 7.817 0.823 25944 3677 1 7 . 1 1 48 48 ASN N N 48 115.577 115.577 115.021 0.556 25944 3678 1 7 . 1 1 48 48 ASN HA H 48 4.387 4.387 4.707 -0.320 25944 3679 1 7 . 1 1 48 48 ASN C C 48 172.379 172.379 173.912 -1.533 25944 3680 1 7 . 1 1 48 48 ASN CA C 48 53.783 53.783 52.638 1.145 25944 3681 1 7 . 1 1 48 48 ASN CB C 48 38.582 38.582 38.201 0.381 25944 3682 1 7 . 1 1 48 48 ASN H H 48 7.851 7.851 7.566 0.285 25944 3683 1 7 . 1 1 49 49 ARG N N 49 114.746 114.746 116.622 -1.876 25944 3684 1 7 . 1 1 49 49 ARG HA H 49 3.837 3.837 4.010 -0.173 25944 3685 1 7 . 1 1 49 49 ARG C C 49 175.105 175.105 175.423 -0.318 25944 3686 1 7 . 1 1 49 49 ARG CA C 49 57.252 57.252 56.947 0.305 25944 3687 1 7 . 1 1 49 49 ARG CB C 49 26.100 26.100 27.484 -1.384 25944 3688 1 7 . 1 1 49 49 ARG H H 49 7.790 7.790 8.089 -0.299 25944 3689 1 7 . 1 1 50 50 VAL N N 50 120.612 120.612 119.808 0.804 25944 3690 1 7 . 1 1 50 50 VAL HA H 50 4.169 4.169 4.151 0.018 25944 3691 1 7 . 1 1 50 50 VAL C C 50 178.261 178.261 175.638 2.623 25944 3692 1 7 . 1 1 50 50 VAL CA C 50 63.272 63.272 62.251 1.021 25944 3693 1 7 . 1 1 50 50 VAL CB C 50 31.060 31.060 33.532 -2.472 25944 3694 1 7 . 1 1 50 50 VAL H H 50 8.556 8.556 7.789 0.767 25944 3695 1 7 . 1 1 51 51 THR N N 51 122.788 122.788 121.173 1.615 25944 3696 1 7 . 1 1 51 51 THR HA H 51 4.761 4.761 4.591 0.170 25944 3697 1 7 . 1 1 51 51 THR C C 51 176.097 176.097 175.437 0.660 25944 3698 1 7 . 1 1 51 51 THR CA C 51 60.823 60.823 59.983 0.840 25944 3699 1 7 . 1 1 51 51 THR CB C 51 71.497 71.497 70.795 0.702 25944 3700 1 7 . 1 1 51 51 THR H H 51 8.706 8.706 8.210 0.496 25944 3701 1 7 . 1 1 52 52 LEU N N 52 120.755 120.755 128.409 -7.654 25944 3702 1 7 . 1 1 52 52 LEU HA H 52 3.996 3.996 4.020 -0.024 25944 3703 1 7 . 1 1 52 52 LEU C C 52 179.154 179.154 178.288 0.866 25944 3704 1 7 . 1 1 52 52 LEU CA C 52 58.472 58.472 57.766 0.706 25944 3705 1 7 . 1 1 52 52 LEU CB C 52 40.238 40.238 41.455 -1.217 25944 3706 1 7 . 1 1 52 52 LEU H H 52 8.990 8.990 8.859 0.131 25944 3707 1 7 . 1 1 53 53 ASP N N 53 117.391 117.391 116.973 0.418 25944 3708 1 7 . 1 1 53 53 ASP HA H 53 4.547 4.547 4.310 0.237 25944 3709 1 7 . 1 1 53 53 ASP C C 53 178.795 178.795 177.329 1.466 25944 3710 1 7 . 1 1 53 53 ASP CA C 53 57.267 57.267 56.491 0.776 25944 3711 1 7 . 1 1 53 53 ASP CB C 53 40.462 40.462 41.040 -0.578 25944 3712 1 7 . 1 1 53 53 ASP H H 53 8.204 8.204 7.965 0.239 25944 3713 1 7 . 1 1 54 54 GLN N N 54 119.886 119.886 118.109 1.777 25944 3714 1 7 . 1 1 54 54 GLN C C 54 179.913 179.913 177.906 2.007 25944 3715 1 7 . 1 1 54 54 GLN CA C 54 59.022 59.022 58.044 0.978 25944 3716 1 7 . 1 1 54 54 GLN CB C 54 29.100 29.100 29.249 -0.149 25944 3717 1 7 . 1 1 54 54 GLN H H 54 7.761 7.761 7.604 0.157 25944 3718 1 7 . 1 1 55 55 ILE N N 55 121.501 121.501 120.720 0.781 25944 3719 1 7 . 1 1 55 55 ILE C C 55 177.425 177.425 178.044 -0.619 25944 3720 1 7 . 1 1 55 55 ILE CA C 55 61.603 61.603 64.260 -2.658 25944 3721 1 7 . 1 1 55 55 ILE CB C 55 33.900 33.900 36.381 -2.481 25944 3722 1 7 . 1 1 55 55 ILE H H 55 7.864 7.864 7.505 0.359 25944 3723 1 7 . 1 1 56 56 ASP N N 56 122.017 122.017 118.249 3.768 25944 3724 1 7 . 1 1 56 56 ASP HA H 56 4.337 4.337 3.217 1.120 25944 3725 1 7 . 1 1 56 56 ASP C C 56 177.692 177.692 178.413 -0.721 25944 3726 1 7 . 1 1 56 56 ASP CA C 56 58.337 58.337 56.847 1.490 25944 3727 1 7 . 1 1 56 56 ASP CB C 56 42.299 42.299 40.233 2.066 25944 3728 1 7 . 1 1 56 56 ASP H H 56 8.840 8.840 8.339 0.501 25944 3729 1 7 . 1 1 57 57 THR N N 57 114.652 114.652 114.920 -0.268 25944 3730 1 7 . 1 1 57 57 THR HA H 57 4.239 4.239 4.111 0.128 25944 3731 1 7 . 1 1 57 57 THR C C 57 176.138 176.138 175.762 0.376 25944 3732 1 7 . 1 1 57 57 THR CA C 57 67.433 67.433 64.777 2.656 25944 3733 1 7 . 1 1 57 57 THR CB C 57 68.636 68.636 68.976 -0.340 25944 3734 1 7 . 1 1 57 57 THR H H 57 8.148 8.148 7.482 0.666 25944 3735 1 7 . 1 1 58 58 PHE N N 58 124.453 124.453 123.960 0.493 25944 3736 1 7 . 1 1 58 58 PHE HA H 58 4.598 4.598 4.225 0.373 25944 3737 1 7 . 1 1 58 58 PHE C C 58 176.122 176.122 176.133 -0.011 25944 3738 1 7 . 1 1 58 58 PHE CA C 58 59.150 59.150 60.740 -1.590 25944 3739 1 7 . 1 1 58 58 PHE CB C 58 38.571 38.571 38.622 -0.051 25944 3740 1 7 . 1 1 58 58 PHE H H 58 7.650 7.650 7.520 0.130 25944 3741 1 7 . 1 1 59 59 LEU N N 59 120.652 120.652 119.212 1.440 25944 3742 1 7 . 1 1 59 59 LEU HA H 59 3.423 3.423 3.212 0.211 25944 3743 1 7 . 1 1 59 59 LEU C C 59 179.603 179.603 178.558 1.045 25944 3744 1 7 . 1 1 59 59 LEU CA C 59 57.710 57.710 58.064 -0.354 25944 3745 1 7 . 1 1 59 59 LEU CB C 59 39.800 39.800 41.594 -1.794 25944 3746 1 7 . 1 1 59 59 LEU H H 59 8.543 8.543 8.299 0.244 25944 3747 1 7 . 1 1 60 60 LYS N N 60 119.870 119.870 118.864 1.006 25944 3748 1 7 . 1 1 60 60 LYS HA H 60 3.563 3.563 3.838 -0.275 25944 3749 1 7 . 1 1 60 60 LYS C C 60 178.258 178.258 179.208 -0.950 25944 3750 1 7 . 1 1 60 60 LYS CA C 60 59.797 59.797 58.894 0.903 25944 3751 1 7 . 1 1 60 60 LYS CB C 60 32.464 32.464 31.876 0.588 25944 3752 1 7 . 1 1 60 60 LYS H H 60 8.105 8.105 7.289 0.816 25944 3753 1 7 . 1 1 61 61 LEU N N 61 120.600 120.600 116.337 4.263 25944 3754 1 7 . 1 1 61 61 LEU HA H 61 4.117 4.117 4.007 0.110 25944 3755 1 7 . 1 1 61 61 LEU C C 61 178.029 178.029 176.947 1.082 25944 3756 1 7 . 1 1 61 61 LEU CA C 61 56.880 56.880 57.340 -0.460 25944 3757 1 7 . 1 1 61 61 LEU CB C 61 42.059 42.059 41.464 0.595 25944 3758 1 7 . 1 1 61 61 LEU H H 61 7.496 7.496 7.390 0.106 25944 3759 1 7 . 1 1 62 62 ALA N N 62 118.900 118.900 118.829 0.071 25944 3760 1 7 . 1 1 62 62 ALA HA H 62 3.901 3.901 4.150 -0.249 25944 3761 1 7 . 1 1 62 62 ALA C C 62 178.505 178.505 177.504 1.001 25944 3762 1 7 . 1 1 62 62 ALA CA C 62 54.603 54.603 52.864 1.739 25944 3763 1 7 . 1 1 62 62 ALA CB C 62 19.400 19.400 19.720 -0.320 25944 3764 1 7 . 1 1 62 62 ALA H H 62 7.827 7.827 7.481 0.346 25944 3765 1 7 . 1 1 63 63 SER N N 63 111.351 111.351 113.934 -2.583 25944 3766 1 7 . 1 1 63 63 SER HA H 63 3.390 3.390 4.515 -1.125 25944 3767 1 7 . 1 1 63 63 SER C C 63 170.257 170.257 174.198 -3.941 25944 3768 1 7 . 1 1 63 63 SER CA C 63 59.687 59.687 57.066 2.621 25944 3769 1 7 . 1 1 63 63 SER CB C 63 62.300 62.300 64.744 -2.444 25944 3770 1 7 . 1 1 63 63 SER H H 63 7.839 7.839 7.786 0.053 25944 3771 1 7 . 1 1 67 67 GLN N N 67 122.300 122.300 118.427 3.873 25944 3772 1 7 . 1 1 67 67 GLN HA H 67 4.009 4.009 4.001 0.008 25944 3773 1 7 . 1 1 67 67 GLN C C 67 176.000 176.000 176.167 -0.167 25944 3774 1 7 . 1 1 67 67 GLN CA C 67 56.950 56.950 56.764 0.186 25944 3775 1 7 . 1 1 67 67 GLN CB C 67 26.500 26.500 27.142 -0.642 25944 3776 1 7 . 1 1 67 67 GLN H H 67 8.201 8.201 7.942 0.259 25944 3777 1 7 . 1 1 68 68 GLY N N 68 105.200 105.200 104.205 0.995 25944 3778 1 7 . 1 1 68 68 GLY C C 68 174.914 174.914 174.570 0.344 25944 3779 1 7 . 1 1 68 68 GLY CA C 68 45.622 45.622 45.389 0.233 25944 3780 1 7 . 1 1 68 68 GLY H H 68 8.512 8.512 8.148 0.364 25944 3781 1 7 . 1 1 69 69 ALA N N 69 125.585 125.585 126.128 -0.543 25944 3782 1 7 . 1 1 69 69 ALA HA H 69 4.020 4.020 4.076 -0.056 25944 3783 1 7 . 1 1 69 69 ALA C C 69 180.176 180.176 178.982 1.194 25944 3784 1 7 . 1 1 69 69 ALA CA C 69 55.000 55.000 54.400 0.600 25944 3785 1 7 . 1 1 69 69 ALA CB C 69 18.200 18.200 19.024 -0.824 25944 3786 1 7 . 1 1 69 69 ALA H H 69 8.046 8.046 8.385 -0.339 25944 3787 1 7 . 1 1 70 70 LYS N N 70 116.500 116.500 117.572 -1.072 25944 3788 1 7 . 1 1 70 70 LYS HA H 70 3.923 3.923 4.094 -0.171 25944 3789 1 7 . 1 1 70 70 LYS C C 70 176.800 176.800 178.009 -1.209 25944 3790 1 7 . 1 1 70 70 LYS CA C 70 58.530 58.530 57.903 0.627 25944 3791 1 7 . 1 1 70 70 LYS H H 70 7.928 7.928 8.548 -0.620 25944 3792 1 7 . 1 1 71 71 TYR N N 71 116.400 116.400 120.121 -3.721 25944 3793 1 7 . 1 1 71 71 TYR HA H 71 5.173 5.173 4.198 0.975 25944 3794 1 7 . 1 1 71 71 TYR C C 71 175.800 175.800 176.743 -0.943 25944 3795 1 7 . 1 1 71 71 TYR CA C 71 55.810 55.810 60.506 -4.696 25944 3796 1 7 . 1 1 71 71 TYR CB C 71 40.500 40.500 37.973 2.527 25944 3797 1 7 . 1 1 71 71 TYR H H 71 7.465 7.465 8.102 -0.637 25944 3798 1 7 . 1 1 72 72 ASN N N 72 120.200 120.200 115.929 4.271 25944 3799 1 7 . 1 1 72 72 ASN HA H 72 4.421 4.421 4.034 0.387 25944 3800 1 7 . 1 1 72 72 ASN C C 72 176.000 176.000 177.070 -1.070 25944 3801 1 7 . 1 1 72 72 ASN CA C 72 56.600 56.600 53.955 2.645 25944 3802 1 7 . 1 1 72 72 ASN CB C 72 38.690 38.690 38.206 0.484 25944 3803 1 7 . 1 1 72 72 ASN H H 72 7.675 7.675 7.650 0.025 25944 3804 1 7 . 1 1 73 73 GLN N N 73 119.800 119.800 120.183 -0.383 25944 3805 1 7 . 1 1 73 73 GLN HA H 73 4.212 4.212 4.089 0.123 25944 3806 1 7 . 1 1 73 73 GLN C C 73 178.600 178.600 177.934 0.666 25944 3807 1 7 . 1 1 73 73 GLN CA C 73 59.610 59.610 58.969 0.641 25944 3808 1 7 . 1 1 73 73 GLN CB C 73 29.460 29.460 28.647 0.813 25944 3809 1 7 . 1 1 73 73 GLN H H 73 9.111 9.111 7.277 1.834 25944 3810 1 7 . 1 1 74 74 ILE N N 74 119.200 119.200 115.731 3.469 25944 3811 1 7 . 1 1 74 74 ILE HA H 74 4.409 4.409 3.953 0.456 25944 3812 1 7 . 1 1 74 74 ILE C C 74 177.100 177.100 177.016 0.084 25944 3813 1 7 . 1 1 74 74 ILE CA C 74 63.410 63.410 62.940 0.470 25944 3814 1 7 . 1 1 74 74 ILE CB C 74 37.700 37.700 37.128 0.572 25944 3815 1 7 . 1 1 74 74 ILE H H 74 7.944 7.944 7.491 0.453 25944 3816 1 7 . 1 1 75 75 TYR N N 75 119.600 119.600 121.091 -1.491 25944 3817 1 7 . 1 1 75 75 TYR HA H 75 3.891 3.891 4.389 -0.498 25944 3818 1 7 . 1 1 75 75 TYR C C 75 176.800 176.800 176.730 0.070 25944 3819 1 7 . 1 1 75 75 TYR CA C 75 62.650 62.650 60.448 2.202 25944 3820 1 7 . 1 1 75 75 TYR CB C 75 38.950 38.950 39.171 -0.221 25944 3821 1 7 . 1 1 75 75 TYR H H 75 6.718 6.718 7.685 -0.967 25944 3822 1 7 . 1 1 76 76 ASN N N 76 115.900 115.900 119.058 -3.158 25944 3823 1 7 . 1 1 76 76 ASN HA H 76 4.385 4.385 4.297 0.088 25944 3824 1 7 . 1 1 76 76 ASN C C 76 178.600 178.600 177.048 1.552 25944 3825 1 7 . 1 1 76 76 ASN CA C 76 56.310 56.310 56.296 0.014 25944 3826 1 7 . 1 1 76 76 ASN H H 76 8.901 8.901 8.004 0.897 25944 3827 1 7 . 1 1 77 77 SER N N 77 117.000 117.000 115.981 1.019 25944 3828 1 7 . 1 1 77 77 SER HA H 77 4.219 4.219 3.912 0.307 25944 3829 1 7 . 1 1 77 77 SER C C 77 176.800 176.800 176.346 0.454 25944 3830 1 7 . 1 1 77 77 SER CA C 77 62.600 62.600 61.063 1.537 25944 3831 1 7 . 1 1 77 77 SER H H 77 8.512 8.512 7.769 0.743 25944 3832 1 7 . 1 1 78 78 TYR N N 78 125.400 125.400 122.744 2.656 25944 3833 1 7 . 1 1 78 78 TYR HA H 78 4.379 4.379 4.533 -0.154 25944 3834 1 7 . 1 1 78 78 TYR C C 78 176.600 176.600 176.814 -0.214 25944 3835 1 7 . 1 1 78 78 TYR CA C 78 59.800 59.800 61.142 -1.342 25944 3836 1 7 . 1 1 78 78 TYR CB C 78 37.200 37.200 38.777 -1.577 25944 3837 1 7 . 1 1 78 78 TYR H H 78 8.299 8.299 8.095 0.204 25944 3838 1 7 . 1 1 79 79 MET N N 79 118.400 118.400 118.616 -0.216 25944 3839 1 7 . 1 1 79 79 MET HA H 79 3.421 3.421 3.804 -0.383 25944 3840 1 7 . 1 1 79 79 MET C C 79 178.400 178.400 178.692 -0.292 25944 3841 1 7 . 1 1 79 79 MET CA C 79 60.400 60.400 59.248 1.152 25944 3842 1 7 . 1 1 79 79 MET CB C 79 32.750 32.750 32.740 0.010 25944 3843 1 7 . 1 1 79 79 MET H H 79 8.264 8.264 7.648 0.616 25944 3844 1 7 . 1 1 80 80 MET N N 80 117.172 117.172 117.910 -0.738 25944 3845 1 7 . 1 1 80 80 MET HA H 80 4.136 4.136 4.148 -0.012 25944 3846 1 7 . 1 1 80 80 MET C C 80 179.418 179.418 177.413 2.005 25944 3847 1 7 . 1 1 80 80 MET CA C 80 58.419 58.419 58.943 -0.524 25944 3848 1 7 . 1 1 80 80 MET CB C 80 32.400 32.400 32.530 -0.130 25944 3849 1 7 . 1 1 80 80 MET H H 80 7.907 7.907 8.207 -0.300 25944 3850 1 7 . 1 1 81 81 HIS N N 81 121.510 121.510 118.645 2.865 25944 3851 1 7 . 1 1 81 81 HIS HA H 81 4.123 4.123 4.251 -0.128 25944 3852 1 7 . 1 1 81 81 HIS C C 81 177.339 177.339 177.697 -0.358 25944 3853 1 7 . 1 1 81 81 HIS CA C 81 60.130 60.130 58.334 1.796 25944 3854 1 7 . 1 1 81 81 HIS CB C 81 29.556 29.556 30.072 -0.516 25944 3855 1 7 . 1 1 81 81 HIS H H 81 8.115 8.115 7.383 0.732 25944 3856 1 7 . 1 1 82 82 LEU N N 82 117.015 117.015 117.109 -0.094 25944 3857 1 7 . 1 1 82 82 LEU HA H 82 3.856 3.856 4.008 -0.152 25944 3858 1 7 . 1 1 82 82 LEU C C 82 178.330 178.330 177.765 0.565 25944 3859 1 7 . 1 1 82 82 LEU CA C 82 56.000 56.000 55.960 0.040 25944 3860 1 7 . 1 1 82 82 LEU CB C 82 42.503 42.503 41.740 0.763 25944 3861 1 7 . 1 1 82 82 LEU H H 82 7.979 7.979 7.798 0.181 25944 3862 1 7 . 1 1 83 83 GLY N N 83 106.661 106.661 107.231 -0.570 25944 3863 1 7 . 1 1 83 83 GLY C C 83 174.964 174.964 175.027 -0.063 25944 3864 1 7 . 1 1 83 83 GLY CA C 83 45.799 45.799 45.748 0.051 25944 3865 1 7 . 1 1 83 83 GLY H H 83 7.755 7.755 7.783 -0.028 25944 3866 1 7 . 1 1 84 84 LEU N N 84 120.273 120.273 114.782 5.491 25944 3867 1 7 . 1 1 84 84 LEU HA H 84 4.399 4.399 4.808 -0.409 25944 3868 1 7 . 1 1 84 84 LEU C C 84 177.302 177.302 177.436 -0.134 25944 3869 1 7 . 1 1 84 84 LEU CA C 84 55.048 55.048 53.286 1.762 25944 3870 1 7 . 1 1 84 84 LEU CB C 84 42.662 42.662 41.941 0.720 25944 3871 1 7 . 1 1 84 84 LEU H H 84 7.568 7.568 7.675 -0.107 25944 3872 1 7 . 1 1 85 85 THR N N 85 111.602 111.602 115.694 -4.092 25944 3873 1 7 . 1 1 85 85 THR HA H 85 4.291 4.291 4.503 -0.212 25944 3874 1 7 . 1 1 85 85 THR C C 85 175.115 175.115 175.646 -0.531 25944 3875 1 7 . 1 1 85 85 THR CA C 85 62.122 62.122 63.080 -0.957 25944 3876 1 7 . 1 1 85 85 THR CB C 85 69.882 69.882 69.384 0.498 25944 3877 1 7 . 1 1 85 85 THR H H 85 8.005 8.005 7.840 0.165 25944 3878 1 7 . 1 1 86 86 GLY N N 86 110.816 110.816 110.931 -0.115 25944 3879 1 7 . 1 1 86 86 GLY C C 86 173.491 173.491 174.040 -0.549 25944 3880 1 7 . 1 1 86 86 GLY CA C 86 45.335 45.335 44.839 0.496 25944 3881 1 7 . 1 1 86 86 GLY H H 86 8.246 8.246 8.878 -0.632 25944 3882 1 7 . 1 1 87 87 TYR N N 87 119.845 119.845 120.057 -0.212 25944 3883 1 7 . 1 1 87 87 TYR HA H 87 4.505 4.505 4.423 0.082 25944 3884 1 7 . 1 1 87 87 TYR C C 87 175.166 175.166 176.582 -1.416 25944 3885 1 7 . 1 1 87 87 TYR CA C 87 58.010 58.010 59.832 -1.822 25944 3886 1 7 . 1 1 87 87 TYR CB C 87 39.058 39.058 39.432 -0.374 25944 3887 1 7 . 1 1 87 87 TYR H H 87 7.935 7.935 8.426 -0.491 25944 3888 1 7 . 1 1 88 88 GLU N N 88 125.299 125.299 118.520 6.779 25944 3889 1 7 . 1 1 88 88 GLU HA H 88 4.517 4.517 4.793 -0.276 25944 3890 1 7 . 1 1 88 88 GLU C C 88 174.024 174.024 174.470 -0.446 25944 3891 1 7 . 1 1 88 88 GLU CA C 88 53.851 53.851 53.563 0.288 25944 3892 1 7 . 1 1 88 88 GLU CB C 88 30.050 30.050 30.201 -0.151 25944 3893 1 7 . 1 1 88 88 GLU H H 88 8.205 8.205 8.388 -0.183 25944 3894 1 7 . 1 1 89 89 PRO HA H 89 4.302 4.302 4.601 -0.299 25944 3895 1 7 . 1 1 89 89 PRO C C 89 176.800 176.800 175.942 0.858 25944 3896 1 7 . 1 1 89 89 PRO CA C 89 63.237 63.237 62.904 0.333 25944 3897 1 7 . 1 1 89 89 PRO CB C 89 32.100 32.100 32.303 -0.203 25944 3898 1 7 . 1 1 90 90 ASN N N 90 118.411 118.411 117.570 0.841 25944 3899 1 7 . 1 1 90 90 ASN HA H 90 4.658 4.658 4.743 -0.085 25944 3900 1 7 . 1 1 90 90 ASN C C 90 175.462 175.462 173.856 1.606 25944 3901 1 7 . 1 1 90 90 ASN CA C 90 53.497 53.497 52.565 0.933 25944 3902 1 7 . 1 1 90 90 ASN CB C 90 38.809 38.809 39.832 -1.023 25944 3903 1 7 . 1 1 90 90 ASN H H 90 8.649 8.649 8.318 0.331 25944 3904 1 7 . 1 1 91 91 SER N N 91 116.049 116.049 118.800 -2.751 25944 3905 1 7 . 1 1 91 91 SER HA H 91 4.396 4.396 4.759 -0.363 25944 3906 1 7 . 1 1 91 91 SER C C 91 174.844 174.844 174.032 0.812 25944 3907 1 7 . 1 1 91 91 SER CA C 91 58.769 58.769 58.641 0.129 25944 3908 1 7 . 1 1 91 91 SER CB C 91 63.927 63.927 63.688 0.238 25944 3909 1 7 . 1 1 91 91 SER H H 91 8.255 8.255 8.673 -0.418 25944 3910 1 7 . 1 1 92 92 SER N N 92 117.736 117.736 119.226 -1.490 25944 3911 1 7 . 1 1 92 92 SER HA H 92 4.414 4.414 4.651 -0.237 25944 3912 1 7 . 1 1 92 92 SER C C 92 174.749 174.749 172.757 1.992 25944 3913 1 7 . 1 1 92 92 SER CA C 92 58.651 58.651 58.661 -0.010 25944 3914 1 7 . 1 1 92 92 SER CB C 92 63.952 63.952 63.955 -0.003 25944 3915 1 7 . 1 1 92 92 SER H H 92 8.399 8.399 8.582 -0.183 25944 3916 1 7 . 1 1 93 93 SER N N 93 117.731 117.731 121.687 -3.956 25944 3917 1 7 . 1 1 93 93 SER HA H 93 4.437 4.437 4.826 -0.389 25944 3918 1 7 . 1 1 93 93 SER C C 93 174.918 174.918 172.788 2.130 25944 3919 1 7 . 1 1 93 93 SER CA C 93 58.696 58.696 57.711 0.986 25944 3920 1 7 . 1 1 93 93 SER CB C 93 63.822 63.822 64.963 -1.141 25944 3921 1 7 . 1 1 93 93 SER H H 93 8.308 8.308 8.254 0.054 25944 3922 1 7 . 1 1 94 94 VAL N N 94 121.028 121.028 119.391 1.637 25944 3923 1 7 . 1 1 94 94 VAL HA H 94 4.020 4.020 4.492 -0.472 25944 3924 1 7 . 1 1 94 94 VAL C C 94 176.301 176.301 175.077 1.224 25944 3925 1 7 . 1 1 94 94 VAL CA C 94 63.176 63.176 61.799 1.377 25944 3926 1 7 . 1 1 94 94 VAL CB C 94 32.797 32.797 32.758 0.039 25944 3927 1 7 . 1 1 94 94 VAL H H 94 8.026 8.026 8.273 -0.247 25944 3928 1 7 . 1 1 95 95 ASP N N 95 122.997 122.997 125.990 -2.993 25944 3929 1 7 . 1 1 95 95 ASP HA H 95 4.537 4.537 4.756 -0.219 25944 3930 1 7 . 1 1 95 95 ASP C C 95 176.937 176.937 177.000 -0.063 25944 3931 1 7 . 1 1 95 95 ASP CA C 95 54.806 54.806 54.975 -0.169 25944 3932 1 7 . 1 1 95 95 ASP CB C 95 41.014 41.014 42.224 -1.210 25944 3933 1 7 . 1 1 95 95 ASP H H 95 8.274 8.274 8.856 -0.582 25944 3934 1 7 . 1 1 96 96 LYS N N 96 121.796 121.796 121.283 0.513 25944 3935 1 7 . 1 1 96 96 LYS HA H 96 4.163 4.163 4.079 0.084 25944 3936 1 7 . 1 1 96 96 LYS C C 96 177.534 177.534 177.607 -0.073 25944 3937 1 7 . 1 1 96 96 LYS CA C 96 57.500 57.500 59.042 -1.542 25944 3938 1 7 . 1 1 96 96 LYS CB C 96 32.171 32.171 32.270 -0.099 25944 3939 1 7 . 1 1 96 96 LYS H H 96 8.159 8.159 8.252 -0.093 25944 3940 1 7 . 1 1 97 97 LEU N N 97 121.703 121.703 117.216 4.487 25944 3941 1 7 . 1 1 97 97 LEU HA H 97 4.216 4.216 4.019 0.197 25944 3942 1 7 . 1 1 97 97 LEU C C 97 177.892 177.892 179.009 -1.117 25944 3943 1 7 . 1 1 97 97 LEU CA C 97 56.024 56.024 57.123 -1.099 25944 3944 1 7 . 1 1 97 97 LEU CB C 97 41.755 41.755 41.258 0.497 25944 3945 1 7 . 1 1 97 97 LEU H H 97 8.097 8.097 7.956 0.141 25944 3946 1 7 . 1 1 98 98 ALA N N 98 123.261 123.261 121.555 1.706 25944 3947 1 7 . 1 1 98 98 ALA HA H 98 4.158 4.158 4.165 -0.007 25944 3948 1 7 . 1 1 98 98 ALA C C 98 178.590 178.590 177.837 0.753 25944 3949 1 7 . 1 1 98 98 ALA CA C 98 53.201 53.201 53.103 0.098 25944 3950 1 7 . 1 1 98 98 ALA CB C 98 18.643 18.643 18.863 -0.220 25944 3951 1 7 . 1 1 98 98 ALA H H 98 7.998 7.998 7.801 0.197 25944 3952 1 7 . 1 1 99 99 ALA N N 99 121.686 121.686 122.050 -0.364 25944 3953 1 7 . 1 1 99 99 ALA HA H 99 4.173 4.173 4.291 -0.118 25944 3954 1 7 . 1 1 99 99 ALA C C 99 178.303 178.303 176.040 2.263 25944 3955 1 7 . 1 1 99 99 ALA CA C 99 53.182 53.182 52.727 0.454 25944 3956 1 7 . 1 1 99 99 ALA CB C 99 18.638 18.638 18.932 -0.294 25944 3957 1 7 . 1 1 99 99 ALA H H 99 8.009 8.009 7.820 0.189 25944 3958 1 7 . 1 1 100 100 ALA N N 100 121.570 121.570 124.548 -2.978 25944 3959 1 7 . 1 1 100 100 ALA HA H 100 4.218 4.218 4.537 -0.319 25944 3960 1 7 . 1 1 100 100 ALA C C 100 178.276 178.276 176.055 2.221 25944 3961 1 7 . 1 1 100 100 ALA CA C 100 52.889 52.889 51.489 1.400 25944 3962 1 7 . 1 1 100 100 ALA CB C 100 18.756 18.756 20.541 -1.784 25944 3963 1 7 . 1 1 100 100 ALA H H 100 7.950 7.950 8.091 -0.141 25944 3964 1 7 . 1 1 101 101 LEU N N 101 120.160 120.160 119.605 0.555 25944 3965 1 7 . 1 1 101 101 LEU HA H 101 4.223 4.223 5.111 -0.888 25944 3966 1 7 . 1 1 101 101 LEU C C 101 177.673 177.673 177.508 0.165 25944 3967 1 7 . 1 1 101 101 LEU CA C 101 55.529 55.529 54.352 1.177 25944 3968 1 7 . 1 1 101 101 LEU CB C 101 42.213 42.213 42.033 0.180 25944 3969 1 7 . 1 1 101 101 LEU H H 101 7.931 7.931 9.080 -1.149 25944 3970 1 8 . 1 1 2 2 ASN N N 2 118.138 118.138 117.906 0.232 25944 3971 1 8 . 1 1 2 2 ASN HA H 2 4.638 4.638 4.844 -0.206 25944 3972 1 8 . 1 1 2 2 ASN C C 2 174.541 174.541 173.731 0.810 25944 3973 1 8 . 1 1 2 2 ASN CA C 2 53.194 53.194 52.974 0.220 25944 3974 1 8 . 1 1 2 2 ASN CB C 2 39.191 39.191 38.519 0.673 25944 3975 1 8 . 1 1 2 2 ASN H H 2 8.331 8.331 8.188 0.143 25944 3976 1 8 . 1 1 3 3 PHE N N 3 121.233 121.233 119.989 1.244 25944 3977 1 8 . 1 1 3 3 PHE HA H 3 4.418 4.418 4.470 -0.052 25944 3978 1 8 . 1 1 3 3 PHE C C 3 174.939 174.939 176.164 -1.225 25944 3979 1 8 . 1 1 3 3 PHE CA C 3 57.817 57.817 57.953 -0.136 25944 3980 1 8 . 1 1 3 3 PHE CB C 3 39.377 39.377 39.829 -0.452 25944 3981 1 8 . 1 1 3 3 PHE H H 3 8.358 8.358 7.756 0.602 25944 3982 1 8 . 1 1 4 4 ASN N N 4 121.091 121.091 122.896 -1.805 25944 3983 1 8 . 1 1 4 4 ASN HA H 4 4.614 4.614 4.847 -0.233 25944 3984 1 8 . 1 1 4 4 ASN C C 4 175.107 175.107 176.585 -1.478 25944 3985 1 8 . 1 1 4 4 ASN CA C 4 52.869 52.869 52.822 0.047 25944 3986 1 8 . 1 1 4 4 ASN CB C 4 38.853 38.853 39.809 -0.956 25944 3987 1 8 . 1 1 4 4 ASN H H 4 8.333 8.333 8.518 -0.185 25944 3988 1 8 . 1 1 5 5 LEU N N 5 123.882 123.882 123.780 0.102 25944 3989 1 8 . 1 1 5 5 LEU HA H 5 4.597 4.597 4.210 0.387 25944 3990 1 8 . 1 1 5 5 LEU C C 5 177.372 177.372 177.381 -0.009 25944 3991 1 8 . 1 1 5 5 LEU CA C 5 56.030 56.030 56.349 -0.319 25944 3992 1 8 . 1 1 5 5 LEU CB C 5 41.775 41.775 42.127 -0.352 25944 3993 1 8 . 1 1 5 5 LEU H H 5 8.259 8.259 8.372 -0.113 25944 3994 1 8 . 1 1 6 6 ALA N N 6 122.630 122.630 121.723 0.907 25944 3995 1 8 . 1 1 6 6 ALA HA H 6 4.213 4.213 4.448 -0.235 25944 3996 1 8 . 1 1 6 6 ALA C C 6 178.088 178.088 177.045 1.043 25944 3997 1 8 . 1 1 6 6 ALA CA C 6 53.201 53.201 53.154 0.048 25944 3998 1 8 . 1 1 6 6 ALA CB C 6 18.533 18.533 18.954 -0.421 25944 3999 1 8 . 1 1 6 6 ALA H H 6 8.132 8.132 7.962 0.170 25944 4000 1 8 . 1 1 7 7 SER N N 7 113.309 113.309 117.061 -3.752 25944 4001 1 8 . 1 1 7 7 SER HA H 7 4.333 4.333 4.823 -0.490 25944 4002 1 8 . 1 1 7 7 SER C C 7 174.347 174.347 174.039 0.308 25944 4003 1 8 . 1 1 7 7 SER CA C 7 58.244 58.244 57.850 0.394 25944 4004 1 8 . 1 1 7 7 SER CB C 7 63.655 63.655 64.807 -1.152 25944 4005 1 8 . 1 1 7 7 SER H H 7 7.866 7.866 8.106 -0.240 25944 4006 1 8 . 1 1 8 8 LEU N N 8 123.236 123.236 118.362 4.874 25944 4007 1 8 . 1 1 8 8 LEU HA H 8 4.156 4.156 4.786 -0.630 25944 4008 1 8 . 1 1 8 8 LEU C C 8 176.617 176.617 176.073 0.544 25944 4009 1 8 . 1 1 8 8 LEU CA C 8 55.368 55.368 54.861 0.507 25944 4010 1 8 . 1 1 8 8 LEU CB C 8 42.800 42.800 42.015 0.785 25944 4011 1 8 . 1 1 8 8 LEU H H 8 7.786 7.786 8.335 -0.549 25944 4012 1 8 . 1 1 9 9 ASN N N 9 120.087 120.087 117.551 2.536 25944 4013 1 8 . 1 1 9 9 ASN HA H 9 4.502 4.502 4.833 -0.331 25944 4014 1 8 . 1 1 9 9 ASN C C 9 175.557 175.557 175.288 0.269 25944 4015 1 8 . 1 1 9 9 ASN CA C 9 52.922 52.922 52.384 0.538 25944 4016 1 8 . 1 1 9 9 ASN CB C 9 38.529 38.529 37.915 0.614 25944 4017 1 8 . 1 1 9 9 ASN H H 9 8.127 8.127 8.225 -0.098 25944 4018 1 8 . 1 1 10 10 GLU N N 10 121.943 121.943 120.957 0.986 25944 4019 1 8 . 1 1 10 10 GLU HA H 10 3.419 3.419 4.642 -1.223 25944 4020 1 8 . 1 1 10 10 GLU C C 10 176.176 176.176 175.781 0.395 25944 4021 1 8 . 1 1 10 10 GLU CA C 10 58.261 58.261 56.802 1.459 25944 4022 1 8 . 1 1 10 10 GLU CB C 10 29.371 29.371 30.054 -0.683 25944 4023 1 8 . 1 1 10 10 GLU H H 10 8.479 8.479 8.832 -0.353 25944 4024 1 8 . 1 1 11 11 GLU N N 11 117.932 117.932 117.680 0.252 25944 4025 1 8 . 1 1 11 11 GLU HA H 11 3.893 3.893 4.301 -0.408 25944 4026 1 8 . 1 1 11 11 GLU C C 11 178.292 178.292 175.883 2.409 25944 4027 1 8 . 1 1 11 11 GLU CA C 11 57.418 57.418 56.271 1.147 25944 4028 1 8 . 1 1 11 11 GLU CB C 11 28.967 28.967 29.052 -0.085 25944 4029 1 8 . 1 1 11 11 GLU H H 11 7.876 7.876 8.216 -0.340 25944 4030 1 8 . 1 1 12 12 MET N N 12 118.969 118.969 117.167 1.802 25944 4031 1 8 . 1 1 12 12 MET HA H 12 3.810 3.810 3.952 -0.142 25944 4032 1 8 . 1 1 12 12 MET C C 12 175.419 175.419 175.358 0.061 25944 4033 1 8 . 1 1 12 12 MET CA C 12 57.481 57.481 55.870 1.611 25944 4034 1 8 . 1 1 12 12 MET CB C 12 32.160 32.160 32.445 -0.285 25944 4035 1 8 . 1 1 12 12 MET H H 12 7.524 7.524 7.588 -0.064 25944 4036 1 8 . 1 1 13 13 PHE N N 13 113.294 113.294 114.446 -1.152 25944 4037 1 8 . 1 1 13 13 PHE HA H 13 4.463 4.463 4.505 -0.042 25944 4038 1 8 . 1 1 13 13 PHE C C 13 176.009 176.009 174.853 1.156 25944 4039 1 8 . 1 1 13 13 PHE CA C 13 54.932 54.932 57.210 -2.278 25944 4040 1 8 . 1 1 13 13 PHE CB C 13 37.856 37.856 39.421 -1.565 25944 4041 1 8 . 1 1 13 13 PHE H H 13 6.975 6.975 6.851 0.124 25944 4042 1 8 . 1 1 14 14 ASN N N 14 116.706 116.706 118.976 -2.270 25944 4043 1 8 . 1 1 14 14 ASN HA H 14 4.778 4.778 4.879 -0.101 25944 4044 1 8 . 1 1 14 14 ASN C C 14 176.202 176.202 176.020 0.182 25944 4045 1 8 . 1 1 14 14 ASN CA C 14 52.333 52.333 53.185 -0.852 25944 4046 1 8 . 1 1 14 14 ASN CB C 14 36.421 36.421 38.617 -2.196 25944 4047 1 8 . 1 1 14 14 ASN H H 14 7.211 7.211 8.141 -0.930 25944 4048 1 8 . 1 1 15 15 VAL N N 15 121.352 121.352 117.440 3.912 25944 4049 1 8 . 1 1 15 15 VAL HA H 15 3.642 3.642 3.505 0.137 25944 4050 1 8 . 1 1 15 15 VAL C C 15 177.523 177.523 176.616 0.907 25944 4051 1 8 . 1 1 15 15 VAL CA C 15 63.407 63.407 65.274 -1.867 25944 4052 1 8 . 1 1 15 15 VAL CB C 15 31.120 31.120 31.324 -0.204 25944 4053 1 8 . 1 1 15 15 VAL H H 15 7.971 7.971 9.018 -1.047 25944 4054 1 8 . 1 1 16 16 ALA N N 16 124.345 124.345 117.991 6.354 25944 4055 1 8 . 1 1 16 16 ALA HA H 16 4.170 4.170 4.143 0.027 25944 4056 1 8 . 1 1 16 16 ALA C C 16 178.288 178.288 177.163 1.125 25944 4057 1 8 . 1 1 16 16 ALA CA C 16 54.170 54.170 53.361 0.809 25944 4058 1 8 . 1 1 16 16 ALA CB C 16 17.945 17.945 18.741 -0.795 25944 4059 1 8 . 1 1 16 16 ALA H H 16 8.414 8.414 8.012 0.402 25944 4060 1 8 . 1 1 17 17 ALA N N 17 116.960 116.960 120.299 -3.339 25944 4061 1 8 . 1 1 17 17 ALA HA H 17 4.309 4.309 4.618 -0.309 25944 4062 1 8 . 1 1 17 17 ALA C C 17 177.660 177.660 177.240 0.420 25944 4063 1 8 . 1 1 17 17 ALA CA C 17 51.666 51.666 51.920 -0.254 25944 4064 1 8 . 1 1 17 17 ALA CB C 17 19.331 19.331 20.529 -1.198 25944 4065 1 8 . 1 1 17 17 ALA H H 17 7.099 7.099 8.020 -0.921 25944 4066 1 8 . 1 1 18 18 LEU N N 18 119.640 119.640 120.009 -0.369 25944 4067 1 8 . 1 1 18 18 LEU HA H 18 4.479 4.479 4.640 -0.161 25944 4068 1 8 . 1 1 18 18 LEU C C 18 176.424 176.424 175.832 0.592 25944 4069 1 8 . 1 1 18 18 LEU CA C 18 54.960 54.960 55.142 -0.181 25944 4070 1 8 . 1 1 18 18 LEU CB C 18 42.000 42.000 42.556 -0.556 25944 4071 1 8 . 1 1 18 18 LEU H H 18 7.256 7.256 7.876 -0.620 25944 4072 1 8 . 1 1 19 19 THR N N 19 110.240 110.240 115.978 -5.738 25944 4073 1 8 . 1 1 19 19 THR HA H 19 4.389 4.389 4.596 -0.207 25944 4074 1 8 . 1 1 19 19 THR C C 19 174.905 174.905 174.060 0.845 25944 4075 1 8 . 1 1 19 19 THR CA C 19 61.970 61.970 61.601 0.369 25944 4076 1 8 . 1 1 19 19 THR CB C 19 70.500 70.500 70.103 0.397 25944 4077 1 8 . 1 1 19 19 THR H H 19 8.319 8.319 8.371 -0.052 25944 4078 1 8 . 1 1 20 20 LYS N N 20 121.645 121.645 124.732 -3.087 25944 4079 1 8 . 1 1 20 20 LYS HA H 20 4.724 4.724 4.391 0.333 25944 4080 1 8 . 1 1 20 20 LYS C C 20 177.100 177.100 175.546 1.554 25944 4081 1 8 . 1 1 20 20 LYS CA C 20 54.890 54.890 55.732 -0.842 25944 4082 1 8 . 1 1 20 20 LYS CB C 20 33.700 33.700 33.858 -0.158 25944 4083 1 8 . 1 1 20 20 LYS H H 20 7.854 7.854 8.142 -0.288 25944 4084 1 8 . 1 1 21 21 ARG N N 21 126.200 126.200 120.357 5.843 25944 4085 1 8 . 1 1 21 21 ARG HA H 21 3.831 3.831 4.079 -0.248 25944 4086 1 8 . 1 1 21 21 ARG C C 21 178.431 178.431 178.164 0.267 25944 4087 1 8 . 1 1 21 21 ARG CA C 21 60.280 60.280 58.463 1.817 25944 4088 1 8 . 1 1 21 21 ARG CB C 21 30.600 30.600 30.387 0.213 25944 4089 1 8 . 1 1 21 21 ARG H H 21 9.171 9.171 8.454 0.717 25944 4090 1 8 . 1 1 22 22 ALA N N 22 118.555 118.555 122.401 -3.846 25944 4091 1 8 . 1 1 22 22 ALA HA H 22 4.053 4.053 4.179 -0.126 25944 4092 1 8 . 1 1 22 22 ALA C C 22 180.573 180.573 178.851 1.722 25944 4093 1 8 . 1 1 22 22 ALA CA C 22 55.480 55.480 54.667 0.813 25944 4094 1 8 . 1 1 22 22 ALA CB C 22 18.700 18.700 18.025 0.675 25944 4095 1 8 . 1 1 22 22 ALA H H 22 8.982 8.982 8.309 0.673 25944 4096 1 8 . 1 1 23 23 ASP N N 23 116.363 116.363 119.673 -3.310 25944 4097 1 8 . 1 1 23 23 ASP HA H 23 4.455 4.455 4.429 0.026 25944 4098 1 8 . 1 1 23 23 ASP C C 23 178.418 178.418 178.172 0.246 25944 4099 1 8 . 1 1 23 23 ASP CA C 23 56.697 56.697 57.052 -0.355 25944 4100 1 8 . 1 1 23 23 ASP CB C 23 41.260 41.260 40.476 0.784 25944 4101 1 8 . 1 1 23 23 ASP H H 23 6.880 6.880 8.706 -1.826 25944 4102 1 8 . 1 1 24 24 ALA N N 24 124.072 124.072 120.458 3.614 25944 4103 1 8 . 1 1 24 24 ALA HA H 24 4.307 4.307 4.252 0.055 25944 4104 1 8 . 1 1 24 24 ALA C C 24 178.301 178.301 179.045 -0.744 25944 4105 1 8 . 1 1 24 24 ALA CA C 24 55.376 55.376 55.061 0.315 25944 4106 1 8 . 1 1 24 24 ALA CB C 24 17.900 17.900 18.689 -0.789 25944 4107 1 8 . 1 1 24 24 ALA H H 24 7.882 7.882 8.101 -0.219 25944 4108 1 8 . 1 1 25 25 LYS N N 25 118.064 118.064 119.754 -1.690 25944 4109 1 8 . 1 1 25 25 LYS HA H 25 3.748 3.748 3.848 -0.100 25944 4110 1 8 . 1 1 25 25 LYS C C 25 177.149 177.149 178.384 -1.235 25944 4111 1 8 . 1 1 25 25 LYS CA C 25 60.613 60.613 59.275 1.338 25944 4112 1 8 . 1 1 25 25 LYS CB C 25 32.433 32.433 32.185 0.248 25944 4113 1 8 . 1 1 25 25 LYS H H 25 8.799 8.799 7.502 1.297 25944 4114 1 8 . 1 1 26 26 LYS N N 26 116.995 116.995 118.432 -1.437 25944 4115 1 8 . 1 1 26 26 LYS HA H 26 3.919 3.919 4.104 -0.185 25944 4116 1 8 . 1 1 26 26 LYS C C 26 179.262 179.262 179.092 0.170 25944 4117 1 8 . 1 1 26 26 LYS CA C 26 59.980 59.980 59.245 0.735 25944 4118 1 8 . 1 1 26 26 LYS CB C 26 32.370 32.370 32.303 0.067 25944 4119 1 8 . 1 1 26 26 LYS H H 26 7.507 7.507 8.191 -0.684 25944 4120 1 8 . 1 1 27 27 LEU N N 27 118.319 118.319 119.811 -1.492 25944 4121 1 8 . 1 1 27 27 LEU HA H 27 4.387 4.387 4.259 0.128 25944 4122 1 8 . 1 1 27 27 LEU C C 27 178.187 178.187 178.859 -0.672 25944 4123 1 8 . 1 1 27 27 LEU CA C 27 57.928 57.928 57.513 0.415 25944 4124 1 8 . 1 1 27 27 LEU CB C 27 40.941 40.941 42.441 -1.500 25944 4125 1 8 . 1 1 27 27 LEU H H 27 7.359 7.359 7.705 -0.346 25944 4126 1 8 . 1 1 28 28 ALA N N 28 121.257 121.257 121.307 -0.050 25944 4127 1 8 . 1 1 28 28 ALA HA H 28 3.677 3.677 4.275 -0.598 25944 4128 1 8 . 1 1 28 28 ALA C C 28 179.000 179.000 178.996 0.004 25944 4129 1 8 . 1 1 28 28 ALA CA C 28 56.364 56.364 54.848 1.516 25944 4130 1 8 . 1 1 28 28 ALA CB C 28 16.138 16.138 17.735 -1.597 25944 4131 1 8 . 1 1 28 28 ALA H H 28 8.571 8.571 8.183 0.388 25944 4132 1 8 . 1 1 29 29 LYS N N 29 114.495 114.495 119.451 -4.956 25944 4133 1 8 . 1 1 29 29 LYS HA H 29 3.834 3.834 3.918 -0.084 25944 4134 1 8 . 1 1 29 29 LYS C C 29 180.597 180.597 178.467 2.130 25944 4135 1 8 . 1 1 29 29 LYS CA C 29 60.073 60.073 59.734 0.339 25944 4136 1 8 . 1 1 29 29 LYS CB C 29 32.334 32.334 32.375 -0.041 25944 4137 1 8 . 1 1 29 29 LYS H H 29 8.312 8.312 8.297 0.015 25944 4138 1 8 . 1 1 30 30 GLN N N 30 119.983 119.983 117.569 2.414 25944 4139 1 8 . 1 1 30 30 GLN HA H 30 4.120 4.120 4.232 -0.112 25944 4140 1 8 . 1 1 30 30 GLN C C 30 179.114 179.114 178.682 0.432 25944 4141 1 8 . 1 1 30 30 GLN CA C 30 59.063 59.063 58.483 0.580 25944 4142 1 8 . 1 1 30 30 GLN CB C 30 29.010 29.010 28.195 0.815 25944 4143 1 8 . 1 1 30 30 GLN H H 30 7.793 7.793 7.790 0.003 25944 4144 1 8 . 1 1 31 31 LEU N N 31 117.633 117.633 119.684 -2.051 25944 4145 1 8 . 1 1 31 31 LEU HA H 31 3.927 3.927 4.289 -0.362 25944 4146 1 8 . 1 1 31 31 LEU C C 31 178.747 178.747 178.136 0.611 25944 4147 1 8 . 1 1 31 31 LEU CA C 31 57.608 57.608 56.875 0.733 25944 4148 1 8 . 1 1 31 31 LEU CB C 31 41.099 41.099 42.222 -1.123 25944 4149 1 8 . 1 1 31 31 LEU H H 31 8.348 8.348 7.357 0.991 25944 4150 1 8 . 1 1 32 32 MET N N 32 115.087 115.087 114.906 0.181 25944 4151 1 8 . 1 1 32 32 MET HA H 32 4.291 4.291 4.488 -0.197 25944 4152 1 8 . 1 1 32 32 MET C C 32 178.337 178.337 177.253 1.084 25944 4153 1 8 . 1 1 32 32 MET CA C 32 56.190 56.190 57.402 -1.212 25944 4154 1 8 . 1 1 32 32 MET CB C 32 33.237 33.237 33.758 -0.521 25944 4155 1 8 . 1 1 32 32 MET H H 32 8.083 8.083 7.932 0.151 25944 4156 1 8 . 1 1 33 33 GLY N N 33 102.979 102.979 106.960 -3.981 25944 4157 1 8 . 1 1 33 33 GLY C C 33 173.716 173.716 174.505 -0.789 25944 4158 1 8 . 1 1 33 33 GLY CA C 33 45.341 45.341 44.847 0.494 25944 4159 1 8 . 1 1 33 33 GLY H H 33 7.514 7.514 7.664 -0.150 25944 4160 1 8 . 1 1 34 34 ASN N N 34 117.931 117.931 122.460 -4.529 25944 4161 1 8 . 1 1 34 34 ASN HA H 34 4.911 4.911 4.627 0.284 25944 4162 1 8 . 1 1 34 34 ASN C C 34 173.721 173.721 175.949 -2.228 25944 4163 1 8 . 1 1 34 34 ASN CA C 34 52.465 52.465 54.289 -1.824 25944 4164 1 8 . 1 1 34 34 ASN CB C 34 39.303 39.303 38.423 0.880 25944 4165 1 8 . 1 1 34 34 ASN H H 34 7.176 7.176 8.145 -0.969 25944 4166 1 8 . 1 1 35 35 ASP N N 35 125.367 125.367 126.381 -1.014 25944 4167 1 8 . 1 1 35 35 ASP HA H 35 4.396 4.396 4.307 0.089 25944 4168 1 8 . 1 1 35 35 ASP C C 35 177.810 177.810 177.421 0.389 25944 4169 1 8 . 1 1 35 35 ASP CA C 35 57.193 57.193 57.464 -0.271 25944 4170 1 8 . 1 1 35 35 ASP CB C 35 40.007 40.007 40.828 -0.821 25944 4171 1 8 . 1 1 35 35 ASP H H 35 8.857 8.857 8.683 0.174 25944 4172 1 8 . 1 1 36 36 LYS N N 36 119.269 119.269 120.706 -1.437 25944 4173 1 8 . 1 1 36 36 LYS HA H 36 4.146 4.146 4.097 0.049 25944 4174 1 8 . 1 1 36 36 LYS C C 36 179.704 179.704 177.830 1.874 25944 4175 1 8 . 1 1 36 36 LYS CA C 36 58.391 58.391 58.395 -0.004 25944 4176 1 8 . 1 1 36 36 LYS CB C 36 31.904 31.904 30.735 1.169 25944 4177 1 8 . 1 1 36 36 LYS H H 36 7.972 7.972 8.421 -0.449 25944 4178 1 8 . 1 1 37 37 LEU N N 37 122.961 122.961 120.202 2.759 25944 4179 1 8 . 1 1 37 37 LEU HA H 37 3.938 3.938 4.296 -0.358 25944 4180 1 8 . 1 1 37 37 LEU C C 37 177.699 177.699 178.218 -0.519 25944 4181 1 8 . 1 1 37 37 LEU CA C 37 56.863 56.863 56.771 0.092 25944 4182 1 8 . 1 1 37 37 LEU CB C 37 42.072 42.072 41.778 0.294 25944 4183 1 8 . 1 1 37 37 LEU H H 37 7.370 7.370 7.671 -0.301 25944 4184 1 8 . 1 1 38 38 ALA N N 38 120.603 120.603 121.925 -1.322 25944 4185 1 8 . 1 1 38 38 ALA HA H 38 3.270 3.270 3.822 -0.552 25944 4186 1 8 . 1 1 38 38 ALA C C 38 176.450 176.450 179.384 -2.934 25944 4187 1 8 . 1 1 38 38 ALA CA C 38 55.268 55.268 55.183 0.085 25944 4188 1 8 . 1 1 38 38 ALA CB C 38 16.619 16.619 17.848 -1.229 25944 4189 1 8 . 1 1 38 38 ALA H H 38 7.918 7.918 8.175 -0.257 25944 4190 1 8 . 1 1 39 39 ASP N N 39 113.981 113.981 119.276 -5.295 25944 4191 1 8 . 1 1 39 39 ASP HA H 39 4.082 4.082 4.523 -0.441 25944 4192 1 8 . 1 1 39 39 ASP C C 39 178.258 178.258 177.983 0.275 25944 4193 1 8 . 1 1 39 39 ASP CA C 39 57.308 57.308 57.697 -0.389 25944 4194 1 8 . 1 1 39 39 ASP CB C 39 40.859 40.859 40.778 0.081 25944 4195 1 8 . 1 1 39 39 ASP H H 39 7.594 7.594 8.298 -0.704 25944 4196 1 8 . 1 1 40 40 ALA N N 40 119.475 119.475 120.219 -0.744 25944 4197 1 8 . 1 1 40 40 ALA HA H 40 3.831 3.831 4.195 -0.364 25944 4198 1 8 . 1 1 40 40 ALA C C 40 179.459 179.459 178.729 0.730 25944 4199 1 8 . 1 1 40 40 ALA CA C 40 54.590 54.590 53.812 0.778 25944 4200 1 8 . 1 1 40 40 ALA CB C 40 17.241 17.241 18.497 -1.256 25944 4201 1 8 . 1 1 40 40 ALA H H 40 6.934 6.934 7.738 -0.804 25944 4202 1 8 . 1 1 41 41 ALA N N 41 124.918 124.918 123.357 1.561 25944 4203 1 8 . 1 1 41 41 ALA HA H 41 1.920 1.920 2.740 -0.820 25944 4204 1 8 . 1 1 41 41 ALA C C 41 177.309 177.309 177.918 -0.609 25944 4205 1 8 . 1 1 41 41 ALA CA C 41 54.473 54.473 54.009 0.464 25944 4206 1 8 . 1 1 41 41 ALA CB C 41 16.412 16.412 18.154 -1.742 25944 4207 1 8 . 1 1 41 41 ALA H H 41 7.384 7.384 7.386 -0.002 25944 4208 1 8 . 1 1 42 42 TYR N N 42 115.340 115.340 117.153 -1.813 25944 4209 1 8 . 1 1 42 42 TYR HA H 42 4.164 4.164 4.399 -0.235 25944 4210 1 8 . 1 1 42 42 TYR C C 42 179.228 179.228 177.539 1.689 25944 4211 1 8 . 1 1 42 42 TYR CA C 42 58.300 58.300 60.721 -2.421 25944 4212 1 8 . 1 1 42 42 TYR CB C 42 35.365 35.365 37.981 -2.616 25944 4213 1 8 . 1 1 42 42 TYR H H 42 7.639 7.639 8.409 -0.770 25944 4214 1 8 . 1 1 43 43 ILE N N 43 117.754 117.754 118.167 -0.413 25944 4215 1 8 . 1 1 43 43 ILE HA H 43 3.839 3.839 3.479 0.360 25944 4216 1 8 . 1 1 43 43 ILE C C 43 178.090 178.090 176.864 1.226 25944 4217 1 8 . 1 1 43 43 ILE CA C 43 64.721 64.721 60.795 3.926 25944 4218 1 8 . 1 1 43 43 ILE CB C 43 39.511 39.511 36.850 2.661 25944 4219 1 8 . 1 1 43 43 ILE H H 43 7.321 7.321 7.039 0.282 25944 4220 1 8 . 1 1 44 44 TRP N N 44 124.439 124.439 123.418 1.021 25944 4221 1 8 . 1 1 44 44 TRP HA H 44 4.049 4.049 4.158 -0.109 25944 4222 1 8 . 1 1 44 44 TRP C C 44 181.073 181.073 177.939 3.134 25944 4223 1 8 . 1 1 44 44 TRP CA C 44 63.008 63.008 61.451 1.557 25944 4224 1 8 . 1 1 44 44 TRP CB C 44 30.286 30.286 29.249 1.037 25944 4225 1 8 . 1 1 44 44 TRP H H 44 8.016 8.016 7.307 0.709 25944 4226 1 8 . 1 1 45 45 TRP N N 45 121.640 121.640 118.554 3.086 25944 4227 1 8 . 1 1 45 45 TRP HA H 45 4.537 4.537 4.516 0.021 25944 4228 1 8 . 1 1 45 45 TRP C C 45 178.515 178.515 179.253 -0.738 25944 4229 1 8 . 1 1 45 45 TRP CA C 45 58.862 58.862 59.701 -0.839 25944 4230 1 8 . 1 1 45 45 TRP CB C 45 28.572 28.572 28.436 0.136 25944 4231 1 8 . 1 1 45 45 TRP H H 45 10.044 10.044 7.956 2.088 25944 4232 1 8 . 1 1 46 46 GLN N N 46 120.394 120.394 118.285 2.109 25944 4233 1 8 . 1 1 46 46 GLN HA H 46 4.276 4.276 3.912 0.364 25944 4234 1 8 . 1 1 46 46 GLN C C 46 180.992 180.992 178.340 2.652 25944 4235 1 8 . 1 1 46 46 GLN CA C 46 59.809 59.809 58.909 0.900 25944 4236 1 8 . 1 1 46 46 GLN CB C 46 26.732 26.732 28.036 -1.304 25944 4237 1 8 . 1 1 46 46 GLN H H 46 8.652 8.652 8.199 0.453 25944 4238 1 8 . 1 1 47 47 HIS N N 47 118.999 118.999 117.096 1.903 25944 4239 1 8 . 1 1 47 47 HIS HA H 47 4.304 4.304 4.258 0.046 25944 4240 1 8 . 1 1 47 47 HIS C C 47 175.745 175.745 175.897 -0.152 25944 4241 1 8 . 1 1 47 47 HIS CA C 47 53.405 53.405 58.646 -5.241 25944 4242 1 8 . 1 1 47 47 HIS CB C 47 28.839 28.839 29.682 -0.843 25944 4243 1 8 . 1 1 47 47 HIS H H 47 8.640 8.640 7.840 0.800 25944 4244 1 8 . 1 1 48 48 ASN N N 48 115.577 115.577 115.737 -0.160 25944 4245 1 8 . 1 1 48 48 ASN HA H 48 4.387 4.387 4.661 -0.274 25944 4246 1 8 . 1 1 48 48 ASN C C 48 172.379 172.379 174.190 -1.811 25944 4247 1 8 . 1 1 48 48 ASN CA C 48 53.783 53.783 52.710 1.073 25944 4248 1 8 . 1 1 48 48 ASN CB C 48 38.582 38.582 38.376 0.206 25944 4249 1 8 . 1 1 48 48 ASN H H 48 7.851 7.851 7.619 0.232 25944 4250 1 8 . 1 1 49 49 ARG N N 49 114.746 114.746 115.664 -0.918 25944 4251 1 8 . 1 1 49 49 ARG HA H 49 3.837 3.837 3.956 -0.119 25944 4252 1 8 . 1 1 49 49 ARG C C 49 175.105 175.105 175.459 -0.354 25944 4253 1 8 . 1 1 49 49 ARG CA C 49 57.252 57.252 56.701 0.551 25944 4254 1 8 . 1 1 49 49 ARG CB C 49 26.100 26.100 26.667 -0.567 25944 4255 1 8 . 1 1 49 49 ARG H H 49 7.790 7.790 8.040 -0.250 25944 4256 1 8 . 1 1 50 50 VAL N N 50 120.612 120.612 118.795 1.817 25944 4257 1 8 . 1 1 50 50 VAL HA H 50 4.169 4.169 4.032 0.137 25944 4258 1 8 . 1 1 50 50 VAL C C 50 178.261 178.261 176.346 1.915 25944 4259 1 8 . 1 1 50 50 VAL CA C 50 63.272 63.272 62.433 0.839 25944 4260 1 8 . 1 1 50 50 VAL CB C 50 31.060 31.060 32.974 -1.914 25944 4261 1 8 . 1 1 50 50 VAL H H 50 8.556 8.556 7.851 0.705 25944 4262 1 8 . 1 1 51 51 THR N N 51 122.788 122.788 118.656 4.132 25944 4263 1 8 . 1 1 51 51 THR HA H 51 4.761 4.761 4.597 0.164 25944 4264 1 8 . 1 1 51 51 THR C C 51 176.097 176.097 175.305 0.792 25944 4265 1 8 . 1 1 51 51 THR CA C 51 60.823 60.823 60.220 0.603 25944 4266 1 8 . 1 1 51 51 THR CB C 51 71.497 71.497 70.769 0.728 25944 4267 1 8 . 1 1 51 51 THR H H 51 8.706 8.706 7.989 0.717 25944 4268 1 8 . 1 1 52 52 LEU N N 52 120.755 120.755 127.382 -6.627 25944 4269 1 8 . 1 1 52 52 LEU HA H 52 3.996 3.996 3.976 0.020 25944 4270 1 8 . 1 1 52 52 LEU C C 52 179.154 179.154 178.380 0.774 25944 4271 1 8 . 1 1 52 52 LEU CA C 52 58.472 58.472 58.266 0.206 25944 4272 1 8 . 1 1 52 52 LEU CB C 52 40.238 40.238 41.451 -1.213 25944 4273 1 8 . 1 1 52 52 LEU H H 52 8.990 8.990 9.126 -0.136 25944 4274 1 8 . 1 1 53 53 ASP N N 53 117.391 117.391 117.536 -0.145 25944 4275 1 8 . 1 1 53 53 ASP HA H 53 4.547 4.547 4.250 0.297 25944 4276 1 8 . 1 1 53 53 ASP C C 53 178.795 178.795 178.938 -0.143 25944 4277 1 8 . 1 1 53 53 ASP CA C 53 57.267 57.267 57.100 0.167 25944 4278 1 8 . 1 1 53 53 ASP CB C 53 40.462 40.462 40.193 0.269 25944 4279 1 8 . 1 1 53 53 ASP H H 53 8.204 8.204 8.010 0.194 25944 4280 1 8 . 1 1 54 54 GLN N N 54 119.886 119.886 119.537 0.349 25944 4281 1 8 . 1 1 54 54 GLN C C 54 179.913 179.913 177.908 2.005 25944 4282 1 8 . 1 1 54 54 GLN CA C 54 59.022 59.022 57.608 1.414 25944 4283 1 8 . 1 1 54 54 GLN CB C 54 29.100 29.100 28.694 0.406 25944 4284 1 8 . 1 1 54 54 GLN H H 54 7.761 7.761 7.675 0.086 25944 4285 1 8 . 1 1 55 55 ILE N N 55 121.501 121.501 120.229 1.272 25944 4286 1 8 . 1 1 55 55 ILE C C 55 177.425 177.425 177.649 -0.224 25944 4287 1 8 . 1 1 55 55 ILE CA C 55 61.603 61.603 63.878 -2.275 25944 4288 1 8 . 1 1 55 55 ILE CB C 55 33.900 33.900 35.937 -2.037 25944 4289 1 8 . 1 1 55 55 ILE H H 55 7.864 7.864 7.721 0.143 25944 4290 1 8 . 1 1 56 56 ASP N N 56 122.017 122.017 120.131 1.886 25944 4291 1 8 . 1 1 56 56 ASP HA H 56 4.337 4.337 3.303 1.034 25944 4292 1 8 . 1 1 56 56 ASP C C 56 177.692 177.692 177.797 -0.105 25944 4293 1 8 . 1 1 56 56 ASP CA C 56 58.337 58.337 57.716 0.621 25944 4294 1 8 . 1 1 56 56 ASP CB C 56 42.299 42.299 40.670 1.629 25944 4295 1 8 . 1 1 56 56 ASP H H 56 8.840 8.840 8.507 0.333 25944 4296 1 8 . 1 1 57 57 THR N N 57 114.652 114.652 112.962 1.690 25944 4297 1 8 . 1 1 57 57 THR HA H 57 4.239 4.239 3.880 0.359 25944 4298 1 8 . 1 1 57 57 THR C C 57 176.138 176.138 176.672 -0.534 25944 4299 1 8 . 1 1 57 57 THR CA C 57 67.433 67.433 64.918 2.515 25944 4300 1 8 . 1 1 57 57 THR CB C 57 68.636 68.636 68.688 -0.052 25944 4301 1 8 . 1 1 57 57 THR H H 57 8.148 8.148 7.447 0.701 25944 4302 1 8 . 1 1 58 58 PHE N N 58 124.453 124.453 122.582 1.871 25944 4303 1 8 . 1 1 58 58 PHE HA H 58 4.598 4.598 4.319 0.279 25944 4304 1 8 . 1 1 58 58 PHE C C 58 176.122 176.122 175.984 0.138 25944 4305 1 8 . 1 1 58 58 PHE CA C 58 59.150 59.150 60.438 -1.288 25944 4306 1 8 . 1 1 58 58 PHE CB C 58 38.571 38.571 39.357 -0.786 25944 4307 1 8 . 1 1 58 58 PHE H H 58 7.650 7.650 7.259 0.391 25944 4308 1 8 . 1 1 59 59 LEU N N 59 120.652 120.652 120.392 0.260 25944 4309 1 8 . 1 1 59 59 LEU HA H 59 3.423 3.423 3.255 0.168 25944 4310 1 8 . 1 1 59 59 LEU C C 59 179.603 179.603 178.708 0.895 25944 4311 1 8 . 1 1 59 59 LEU CA C 59 57.710 57.710 57.992 -0.282 25944 4312 1 8 . 1 1 59 59 LEU CB C 59 39.800 39.800 41.874 -2.074 25944 4313 1 8 . 1 1 59 59 LEU H H 59 8.543 8.543 8.398 0.145 25944 4314 1 8 . 1 1 60 60 LYS N N 60 119.870 119.870 118.901 0.969 25944 4315 1 8 . 1 1 60 60 LYS HA H 60 3.563 3.563 3.787 -0.224 25944 4316 1 8 . 1 1 60 60 LYS C C 60 178.258 178.258 179.105 -0.847 25944 4317 1 8 . 1 1 60 60 LYS CA C 60 59.797 59.797 59.319 0.478 25944 4318 1 8 . 1 1 60 60 LYS CB C 60 32.464 32.464 32.111 0.353 25944 4319 1 8 . 1 1 60 60 LYS H H 60 8.105 8.105 7.848 0.257 25944 4320 1 8 . 1 1 61 61 LEU N N 61 120.600 120.600 115.828 4.772 25944 4321 1 8 . 1 1 61 61 LEU HA H 61 4.117 4.117 3.990 0.127 25944 4322 1 8 . 1 1 61 61 LEU C C 61 178.029 178.029 177.136 0.893 25944 4323 1 8 . 1 1 61 61 LEU CA C 61 56.880 56.880 57.313 -0.433 25944 4324 1 8 . 1 1 61 61 LEU CB C 61 42.059 42.059 41.331 0.728 25944 4325 1 8 . 1 1 61 61 LEU H H 61 7.496 7.496 7.337 0.159 25944 4326 1 8 . 1 1 62 62 ALA N N 62 118.900 118.900 119.098 -0.198 25944 4327 1 8 . 1 1 62 62 ALA HA H 62 3.901 3.901 4.118 -0.217 25944 4328 1 8 . 1 1 62 62 ALA C C 62 178.505 178.505 177.614 0.891 25944 4329 1 8 . 1 1 62 62 ALA CA C 62 54.603 54.603 53.112 1.491 25944 4330 1 8 . 1 1 62 62 ALA CB C 62 19.400 19.400 19.468 -0.068 25944 4331 1 8 . 1 1 62 62 ALA H H 62 7.827 7.827 7.605 0.222 25944 4332 1 8 . 1 1 63 63 SER N N 63 111.351 111.351 113.572 -2.221 25944 4333 1 8 . 1 1 63 63 SER HA H 63 3.390 3.390 4.658 -1.268 25944 4334 1 8 . 1 1 63 63 SER C C 63 170.257 170.257 173.308 -3.051 25944 4335 1 8 . 1 1 63 63 SER CA C 63 59.687 59.687 57.255 2.432 25944 4336 1 8 . 1 1 63 63 SER CB C 63 62.300 62.300 64.337 -2.037 25944 4337 1 8 . 1 1 63 63 SER H H 63 7.839 7.839 7.578 0.261 25944 4338 1 8 . 1 1 67 67 GLN N N 67 122.300 122.300 116.617 5.683 25944 4339 1 8 . 1 1 67 67 GLN HA H 67 4.009 4.009 4.016 -0.007 25944 4340 1 8 . 1 1 67 67 GLN C C 67 176.000 176.000 176.400 -0.400 25944 4341 1 8 . 1 1 67 67 GLN CA C 67 56.950 56.950 56.666 0.284 25944 4342 1 8 . 1 1 67 67 GLN CB C 67 26.500 26.500 27.195 -0.695 25944 4343 1 8 . 1 1 67 67 GLN H H 67 8.201 8.201 8.357 -0.156 25944 4344 1 8 . 1 1 68 68 GLY N N 68 105.200 105.200 106.258 -1.058 25944 4345 1 8 . 1 1 68 68 GLY C C 68 174.914 174.914 174.709 0.205 25944 4346 1 8 . 1 1 68 68 GLY CA C 68 45.622 45.622 45.375 0.247 25944 4347 1 8 . 1 1 68 68 GLY H H 68 8.512 8.512 7.948 0.564 25944 4348 1 8 . 1 1 69 69 ALA N N 69 125.585 125.585 126.459 -0.874 25944 4349 1 8 . 1 1 69 69 ALA HA H 69 4.020 4.020 4.066 -0.046 25944 4350 1 8 . 1 1 69 69 ALA C C 69 180.176 180.176 179.028 1.148 25944 4351 1 8 . 1 1 69 69 ALA CA C 69 55.000 55.000 54.123 0.877 25944 4352 1 8 . 1 1 69 69 ALA CB C 69 18.200 18.200 19.009 -0.809 25944 4353 1 8 . 1 1 69 69 ALA H H 69 8.046 8.046 8.564 -0.518 25944 4354 1 8 . 1 1 70 70 LYS N N 70 116.500 116.500 118.987 -2.487 25944 4355 1 8 . 1 1 70 70 LYS HA H 70 3.923 3.923 4.054 -0.131 25944 4356 1 8 . 1 1 70 70 LYS C C 70 176.800 176.800 178.080 -1.280 25944 4357 1 8 . 1 1 70 70 LYS CA C 70 58.530 58.530 58.451 0.079 25944 4358 1 8 . 1 1 70 70 LYS H H 70 7.928 7.928 8.530 -0.602 25944 4359 1 8 . 1 1 71 71 TYR N N 71 116.400 116.400 118.593 -2.193 25944 4360 1 8 . 1 1 71 71 TYR HA H 71 5.173 5.173 4.236 0.937 25944 4361 1 8 . 1 1 71 71 TYR C C 71 175.800 175.800 176.822 -1.022 25944 4362 1 8 . 1 1 71 71 TYR CA C 71 55.810 55.810 60.147 -4.337 25944 4363 1 8 . 1 1 71 71 TYR CB C 71 40.500 40.500 37.742 2.758 25944 4364 1 8 . 1 1 71 71 TYR H H 71 7.465 7.465 8.130 -0.665 25944 4365 1 8 . 1 1 72 72 ASN N N 72 120.200 120.200 115.756 4.444 25944 4366 1 8 . 1 1 72 72 ASN HA H 72 4.421 4.421 4.084 0.337 25944 4367 1 8 . 1 1 72 72 ASN C C 72 176.000 176.000 176.926 -0.926 25944 4368 1 8 . 1 1 72 72 ASN CA C 72 56.600 56.600 54.700 1.900 25944 4369 1 8 . 1 1 72 72 ASN CB C 72 38.690 38.690 38.097 0.593 25944 4370 1 8 . 1 1 72 72 ASN H H 72 7.675 7.675 7.627 0.049 25944 4371 1 8 . 1 1 73 73 GLN N N 73 119.800 119.800 121.031 -1.231 25944 4372 1 8 . 1 1 73 73 GLN HA H 73 4.212 4.212 4.115 0.097 25944 4373 1 8 . 1 1 73 73 GLN C C 73 178.600 178.600 177.637 0.963 25944 4374 1 8 . 1 1 73 73 GLN CA C 73 59.610 59.610 58.516 1.094 25944 4375 1 8 . 1 1 73 73 GLN CB C 73 29.460 29.460 28.578 0.882 25944 4376 1 8 . 1 1 73 73 GLN H H 73 9.111 9.111 7.262 1.849 25944 4377 1 8 . 1 1 74 74 ILE N N 74 119.200 119.200 116.243 2.957 25944 4378 1 8 . 1 1 74 74 ILE HA H 74 4.409 4.409 3.923 0.486 25944 4379 1 8 . 1 1 74 74 ILE C C 74 177.100 177.100 177.301 -0.201 25944 4380 1 8 . 1 1 74 74 ILE CA C 74 63.410 63.410 63.595 -0.185 25944 4381 1 8 . 1 1 74 74 ILE CB C 74 37.700 37.700 37.072 0.628 25944 4382 1 8 . 1 1 74 74 ILE H H 74 7.944 7.944 7.567 0.377 25944 4383 1 8 . 1 1 75 75 TYR N N 75 119.600 119.600 121.007 -1.407 25944 4384 1 8 . 1 1 75 75 TYR HA H 75 3.891 3.891 4.373 -0.482 25944 4385 1 8 . 1 1 75 75 TYR C C 75 176.800 176.800 176.855 -0.055 25944 4386 1 8 . 1 1 75 75 TYR CA C 75 62.650 62.650 60.778 1.872 25944 4387 1 8 . 1 1 75 75 TYR CB C 75 38.950 38.950 39.099 -0.149 25944 4388 1 8 . 1 1 75 75 TYR H H 75 6.718 6.718 7.637 -0.919 25944 4389 1 8 . 1 1 76 76 ASN N N 76 115.900 115.900 118.850 -2.950 25944 4390 1 8 . 1 1 76 76 ASN HA H 76 4.385 4.385 4.369 0.016 25944 4391 1 8 . 1 1 76 76 ASN C C 76 178.600 178.600 177.204 1.396 25944 4392 1 8 . 1 1 76 76 ASN CA C 76 56.310 56.310 56.383 -0.073 25944 4393 1 8 . 1 1 76 76 ASN H H 76 8.901 8.901 8.001 0.900 25944 4394 1 8 . 1 1 77 77 SER N N 77 117.000 117.000 114.796 2.204 25944 4395 1 8 . 1 1 77 77 SER HA H 77 4.219 4.219 4.024 0.195 25944 4396 1 8 . 1 1 77 77 SER C C 77 176.800 176.800 176.316 0.484 25944 4397 1 8 . 1 1 77 77 SER CA C 77 62.600 62.600 61.141 1.459 25944 4398 1 8 . 1 1 77 77 SER H H 77 8.512 8.512 7.769 0.743 25944 4399 1 8 . 1 1 78 78 TYR N N 78 125.400 125.400 122.605 2.795 25944 4400 1 8 . 1 1 78 78 TYR HA H 78 4.379 4.379 4.483 -0.104 25944 4401 1 8 . 1 1 78 78 TYR C C 78 176.600 176.600 176.982 -0.382 25944 4402 1 8 . 1 1 78 78 TYR CA C 78 59.800 59.800 61.225 -1.425 25944 4403 1 8 . 1 1 78 78 TYR CB C 78 37.200 37.200 38.759 -1.559 25944 4404 1 8 . 1 1 78 78 TYR H H 78 8.299 8.299 8.174 0.125 25944 4405 1 8 . 1 1 79 79 MET N N 79 118.400 118.400 118.348 0.052 25944 4406 1 8 . 1 1 79 79 MET HA H 79 3.421 3.421 3.813 -0.392 25944 4407 1 8 . 1 1 79 79 MET C C 79 178.400 178.400 178.409 -0.009 25944 4408 1 8 . 1 1 79 79 MET CA C 79 60.400 60.400 59.173 1.227 25944 4409 1 8 . 1 1 79 79 MET CB C 79 32.750 32.750 32.785 -0.035 25944 4410 1 8 . 1 1 79 79 MET H H 79 8.264 8.264 7.704 0.560 25944 4411 1 8 . 1 1 80 80 MET N N 80 117.172 117.172 116.273 0.899 25944 4412 1 8 . 1 1 80 80 MET HA H 80 4.136 4.136 4.180 -0.044 25944 4413 1 8 . 1 1 80 80 MET C C 80 179.418 179.418 177.465 1.953 25944 4414 1 8 . 1 1 80 80 MET CA C 80 58.419 58.419 57.233 1.186 25944 4415 1 8 . 1 1 80 80 MET CB C 80 32.400 32.400 32.111 0.289 25944 4416 1 8 . 1 1 80 80 MET H H 80 7.907 7.907 8.247 -0.340 25944 4417 1 8 . 1 1 81 81 HIS N N 81 121.510 121.510 118.497 3.013 25944 4418 1 8 . 1 1 81 81 HIS HA H 81 4.123 4.123 4.261 -0.138 25944 4419 1 8 . 1 1 81 81 HIS C C 81 177.339 177.339 177.786 -0.447 25944 4420 1 8 . 1 1 81 81 HIS CA C 81 60.130 60.130 58.734 1.395 25944 4421 1 8 . 1 1 81 81 HIS CB C 81 29.556 29.556 30.355 -0.799 25944 4422 1 8 . 1 1 81 81 HIS H H 81 8.115 8.115 7.494 0.621 25944 4423 1 8 . 1 1 82 82 LEU N N 82 117.015 117.015 117.125 -0.110 25944 4424 1 8 . 1 1 82 82 LEU HA H 82 3.856 3.856 4.062 -0.206 25944 4425 1 8 . 1 1 82 82 LEU C C 82 178.330 178.330 177.669 0.661 25944 4426 1 8 . 1 1 82 82 LEU CA C 82 56.000 56.000 55.769 0.231 25944 4427 1 8 . 1 1 82 82 LEU CB C 82 42.503 42.503 41.769 0.734 25944 4428 1 8 . 1 1 82 82 LEU H H 82 7.979 7.979 7.814 0.165 25944 4429 1 8 . 1 1 83 83 GLY N N 83 106.661 106.661 107.651 -0.990 25944 4430 1 8 . 1 1 83 83 GLY C C 83 174.964 174.964 174.979 -0.015 25944 4431 1 8 . 1 1 83 83 GLY CA C 83 45.799 45.799 45.836 -0.037 25944 4432 1 8 . 1 1 83 83 GLY H H 83 7.755 7.755 7.784 -0.029 25944 4433 1 8 . 1 1 84 84 LEU N N 84 120.273 120.273 115.478 4.795 25944 4434 1 8 . 1 1 84 84 LEU HA H 84 4.399 4.399 4.743 -0.344 25944 4435 1 8 . 1 1 84 84 LEU C C 84 177.302 177.302 177.051 0.251 25944 4436 1 8 . 1 1 84 84 LEU CA C 84 55.048 55.048 53.172 1.876 25944 4437 1 8 . 1 1 84 84 LEU CB C 84 42.662 42.662 41.131 1.531 25944 4438 1 8 . 1 1 84 84 LEU H H 84 7.568 7.568 7.624 -0.056 25944 4439 1 8 . 1 1 85 85 THR N N 85 111.602 111.602 116.691 -5.089 25944 4440 1 8 . 1 1 85 85 THR HA H 85 4.291 4.291 4.454 -0.163 25944 4441 1 8 . 1 1 85 85 THR C C 85 175.115 175.115 174.988 0.127 25944 4442 1 8 . 1 1 85 85 THR CA C 85 62.122 62.122 63.276 -1.153 25944 4443 1 8 . 1 1 85 85 THR CB C 85 69.882 69.882 69.566 0.316 25944 4444 1 8 . 1 1 85 85 THR H H 85 8.005 8.005 7.807 0.198 25944 4445 1 8 . 1 1 86 86 GLY N N 86 110.816 110.816 113.961 -3.145 25944 4446 1 8 . 1 1 86 86 GLY C C 86 173.491 173.491 173.076 0.415 25944 4447 1 8 . 1 1 86 86 GLY CA C 86 45.335 45.335 44.854 0.481 25944 4448 1 8 . 1 1 86 86 GLY H H 86 8.246 8.246 8.576 -0.330 25944 4449 1 8 . 1 1 87 87 TYR N N 87 119.845 119.845 119.884 -0.039 25944 4450 1 8 . 1 1 87 87 TYR HA H 87 4.505 4.505 4.819 -0.314 25944 4451 1 8 . 1 1 87 87 TYR C C 87 175.166 175.166 175.571 -0.405 25944 4452 1 8 . 1 1 87 87 TYR CA C 87 58.010 58.010 56.205 1.805 25944 4453 1 8 . 1 1 87 87 TYR CB C 87 39.058 39.058 39.462 -0.404 25944 4454 1 8 . 1 1 87 87 TYR H H 87 7.935 7.935 8.055 -0.120 25944 4455 1 8 . 1 1 88 88 GLU N N 88 125.299 125.299 122.558 2.741 25944 4456 1 8 . 1 1 88 88 GLU HA H 88 4.517 4.517 4.376 0.141 25944 4457 1 8 . 1 1 88 88 GLU C C 88 174.024 174.024 175.090 -1.066 25944 4458 1 8 . 1 1 88 88 GLU CA C 88 53.851 53.851 55.344 -1.493 25944 4459 1 8 . 1 1 88 88 GLU CB C 88 30.050 30.050 30.136 -0.086 25944 4460 1 8 . 1 1 88 88 GLU H H 88 8.205 8.205 8.511 -0.306 25944 4461 1 8 . 1 1 89 89 PRO HA H 89 4.302 4.302 4.554 -0.252 25944 4462 1 8 . 1 1 89 89 PRO C C 89 176.800 176.800 175.836 0.964 25944 4463 1 8 . 1 1 89 89 PRO CA C 89 63.237 63.237 63.197 0.041 25944 4464 1 8 . 1 1 89 89 PRO CB C 89 32.100 32.100 32.240 -0.140 25944 4465 1 8 . 1 1 90 90 ASN N N 90 118.411 118.411 121.555 -3.144 25944 4466 1 8 . 1 1 90 90 ASN HA H 90 4.658 4.658 4.872 -0.214 25944 4467 1 8 . 1 1 90 90 ASN C C 90 175.462 175.462 174.275 1.187 25944 4468 1 8 . 1 1 90 90 ASN CA C 90 53.497 53.497 52.212 1.285 25944 4469 1 8 . 1 1 90 90 ASN CB C 90 38.809 38.809 40.325 -1.516 25944 4470 1 8 . 1 1 90 90 ASN H H 90 8.649 8.649 8.502 0.147 25944 4471 1 8 . 1 1 91 91 SER N N 91 116.049 116.049 116.632 -0.583 25944 4472 1 8 . 1 1 91 91 SER HA H 91 4.396 4.396 4.722 -0.326 25944 4473 1 8 . 1 1 91 91 SER C C 91 174.844 174.844 173.699 1.145 25944 4474 1 8 . 1 1 91 91 SER CA C 91 58.769 58.769 58.379 0.390 25944 4475 1 8 . 1 1 91 91 SER CB C 91 63.927 63.927 62.654 1.273 25944 4476 1 8 . 1 1 91 91 SER H H 91 8.255 8.255 8.471 -0.216 25944 4477 1 8 . 1 1 92 92 SER N N 92 117.736 117.736 121.529 -3.793 25944 4478 1 8 . 1 1 92 92 SER HA H 92 4.414 4.414 4.698 -0.284 25944 4479 1 8 . 1 1 92 92 SER C C 92 174.749 174.749 172.518 2.231 25944 4480 1 8 . 1 1 92 92 SER CA C 92 58.651 58.651 58.150 0.501 25944 4481 1 8 . 1 1 92 92 SER CB C 92 63.952 63.952 64.343 -0.391 25944 4482 1 8 . 1 1 92 92 SER H H 92 8.399 8.399 8.330 0.069 25944 4483 1 8 . 1 1 93 93 SER N N 93 117.731 117.731 117.053 0.678 25944 4484 1 8 . 1 1 93 93 SER HA H 93 4.437 4.437 4.793 -0.356 25944 4485 1 8 . 1 1 93 93 SER C C 93 174.918 174.918 172.535 2.383 25944 4486 1 8 . 1 1 93 93 SER CA C 93 58.696 58.696 57.889 0.807 25944 4487 1 8 . 1 1 93 93 SER CB C 93 63.822 63.822 63.889 -0.067 25944 4488 1 8 . 1 1 93 93 SER H H 93 8.308 8.308 8.386 -0.078 25944 4489 1 8 . 1 1 94 94 VAL N N 94 121.028 121.028 120.725 0.303 25944 4490 1 8 . 1 1 94 94 VAL HA H 94 4.020 4.020 4.195 -0.175 25944 4491 1 8 . 1 1 94 94 VAL C C 94 176.301 176.301 174.282 2.019 25944 4492 1 8 . 1 1 94 94 VAL CA C 94 63.176 63.176 61.715 1.461 25944 4493 1 8 . 1 1 94 94 VAL CB C 94 32.797 32.797 33.553 -0.756 25944 4494 1 8 . 1 1 94 94 VAL H H 94 8.026 8.026 8.032 -0.006 25944 4495 1 8 . 1 1 95 95 ASP N N 95 122.997 122.997 127.098 -4.101 25944 4496 1 8 . 1 1 95 95 ASP HA H 95 4.537 4.537 4.598 -0.061 25944 4497 1 8 . 1 1 95 95 ASP C C 95 176.937 176.937 177.020 -0.083 25944 4498 1 8 . 1 1 95 95 ASP CA C 95 54.806 54.806 54.311 0.495 25944 4499 1 8 . 1 1 95 95 ASP CB C 95 41.014 41.014 41.379 -0.365 25944 4500 1 8 . 1 1 95 95 ASP H H 95 8.274 8.274 8.590 -0.316 25944 4501 1 8 . 1 1 96 96 LYS N N 96 121.796 121.796 122.112 -0.316 25944 4502 1 8 . 1 1 96 96 LYS HA H 96 4.163 4.163 4.066 0.097 25944 4503 1 8 . 1 1 96 96 LYS C C 96 177.534 177.534 178.582 -1.048 25944 4504 1 8 . 1 1 96 96 LYS CA C 96 57.500 57.500 58.923 -1.423 25944 4505 1 8 . 1 1 96 96 LYS CB C 96 32.171 32.171 32.027 0.144 25944 4506 1 8 . 1 1 96 96 LYS H H 96 8.159 8.159 8.447 -0.288 25944 4507 1 8 . 1 1 97 97 LEU N N 97 121.703 121.703 115.919 5.784 25944 4508 1 8 . 1 1 97 97 LEU HA H 97 4.216 4.216 4.149 0.067 25944 4509 1 8 . 1 1 97 97 LEU C C 97 177.892 177.892 177.825 0.067 25944 4510 1 8 . 1 1 97 97 LEU CA C 97 56.024 56.024 56.733 -0.709 25944 4511 1 8 . 1 1 97 97 LEU CB C 97 41.755 41.755 41.278 0.478 25944 4512 1 8 . 1 1 97 97 LEU H H 97 8.097 8.097 7.834 0.263 25944 4513 1 8 . 1 1 98 98 ALA N N 98 123.261 123.261 121.159 2.102 25944 4514 1 8 . 1 1 98 98 ALA HA H 98 4.158 4.158 4.091 0.067 25944 4515 1 8 . 1 1 98 98 ALA C C 98 178.590 178.590 177.874 0.716 25944 4516 1 8 . 1 1 98 98 ALA CA C 98 53.201 53.201 53.041 0.160 25944 4517 1 8 . 1 1 98 98 ALA CB C 98 18.643 18.643 19.111 -0.468 25944 4518 1 8 . 1 1 98 98 ALA H H 98 7.998 7.998 8.148 -0.150 25944 4519 1 8 . 1 1 99 99 ALA N N 99 121.686 121.686 119.088 2.598 25944 4520 1 8 . 1 1 99 99 ALA HA H 99 4.173 4.173 3.954 0.219 25944 4521 1 8 . 1 1 99 99 ALA C C 99 178.303 178.303 177.203 1.100 25944 4522 1 8 . 1 1 99 99 ALA CA C 99 53.182 53.182 52.459 0.723 25944 4523 1 8 . 1 1 99 99 ALA CB C 99 18.638 18.638 16.669 1.969 25944 4524 1 8 . 1 1 99 99 ALA H H 99 8.009 8.009 7.590 0.419 25944 4525 1 8 . 1 1 100 100 ALA N N 100 121.570 121.570 121.127 0.443 25944 4526 1 8 . 1 1 100 100 ALA HA H 100 4.218 4.218 4.180 0.038 25944 4527 1 8 . 1 1 100 100 ALA C C 100 178.276 178.276 176.973 1.303 25944 4528 1 8 . 1 1 100 100 ALA CA C 100 52.889 52.889 52.639 0.250 25944 4529 1 8 . 1 1 100 100 ALA CB C 100 18.756 18.756 19.438 -0.682 25944 4530 1 8 . 1 1 100 100 ALA H H 100 7.950 7.950 8.038 -0.088 25944 4531 1 8 . 1 1 101 101 LEU N N 101 120.160 120.160 124.455 -4.295 25944 4532 1 8 . 1 1 101 101 LEU HA H 101 4.223 4.223 4.551 -0.328 25944 4533 1 8 . 1 1 101 101 LEU C C 101 177.673 177.673 176.658 1.015 25944 4534 1 8 . 1 1 101 101 LEU CA C 101 55.529 55.529 54.645 0.884 25944 4535 1 8 . 1 1 101 101 LEU CB C 101 42.213 42.213 41.483 0.730 25944 4536 1 8 . 1 1 101 101 LEU H H 101 7.931 7.931 8.404 -0.473 25944 4537 1 9 . 1 1 2 2 ASN N N 2 118.138 118.138 118.047 0.091 25944 4538 1 9 . 1 1 2 2 ASN HA H 2 4.638 4.638 4.776 -0.138 25944 4539 1 9 . 1 1 2 2 ASN C C 2 174.541 174.541 173.830 0.711 25944 4540 1 9 . 1 1 2 2 ASN CA C 2 53.194 53.194 52.866 0.328 25944 4541 1 9 . 1 1 2 2 ASN CB C 2 39.191 39.191 38.984 0.207 25944 4542 1 9 . 1 1 2 2 ASN H H 2 8.331 8.331 7.948 0.383 25944 4543 1 9 . 1 1 3 3 PHE N N 3 121.233 121.233 122.221 -0.988 25944 4544 1 9 . 1 1 3 3 PHE HA H 3 4.418 4.418 4.606 -0.188 25944 4545 1 9 . 1 1 3 3 PHE C C 3 174.939 174.939 175.272 -0.333 25944 4546 1 9 . 1 1 3 3 PHE CA C 3 57.817 57.817 56.853 0.964 25944 4547 1 9 . 1 1 3 3 PHE CB C 3 39.377 39.377 38.158 1.219 25944 4548 1 9 . 1 1 3 3 PHE H H 3 8.358 8.358 7.842 0.516 25944 4549 1 9 . 1 1 4 4 ASN N N 4 121.091 121.091 124.655 -3.564 25944 4550 1 9 . 1 1 4 4 ASN HA H 4 4.614 4.614 5.095 -0.481 25944 4551 1 9 . 1 1 4 4 ASN C C 4 175.107 175.107 175.159 -0.052 25944 4552 1 9 . 1 1 4 4 ASN CA C 4 52.869 52.869 53.080 -0.211 25944 4553 1 9 . 1 1 4 4 ASN CB C 4 38.853 38.853 38.948 -0.095 25944 4554 1 9 . 1 1 4 4 ASN H H 4 8.333 8.333 8.668 -0.335 25944 4555 1 9 . 1 1 5 5 LEU N N 5 123.882 123.882 120.803 3.079 25944 4556 1 9 . 1 1 5 5 LEU HA H 5 4.597 4.597 4.692 -0.095 25944 4557 1 9 . 1 1 5 5 LEU C C 5 177.372 177.372 176.545 0.827 25944 4558 1 9 . 1 1 5 5 LEU CA C 5 56.030 56.030 54.512 1.518 25944 4559 1 9 . 1 1 5 5 LEU CB C 5 41.775 41.775 41.484 0.291 25944 4560 1 9 . 1 1 5 5 LEU H H 5 8.259 8.259 8.130 0.129 25944 4561 1 9 . 1 1 6 6 ALA N N 6 122.630 122.630 122.505 0.125 25944 4562 1 9 . 1 1 6 6 ALA HA H 6 4.213 4.213 4.772 -0.559 25944 4563 1 9 . 1 1 6 6 ALA C C 6 178.088 178.088 176.876 1.212 25944 4564 1 9 . 1 1 6 6 ALA CA C 6 53.201 53.201 51.334 1.867 25944 4565 1 9 . 1 1 6 6 ALA CB C 6 18.533 18.533 20.199 -1.666 25944 4566 1 9 . 1 1 6 6 ALA H H 6 8.132 8.132 7.772 0.360 25944 4567 1 9 . 1 1 7 7 SER N N 7 113.309 113.309 115.417 -2.108 25944 4568 1 9 . 1 1 7 7 SER HA H 7 4.333 4.333 4.607 -0.274 25944 4569 1 9 . 1 1 7 7 SER C C 7 174.347 174.347 173.495 0.852 25944 4570 1 9 . 1 1 7 7 SER CA C 7 58.244 58.244 57.776 0.468 25944 4571 1 9 . 1 1 7 7 SER CB C 7 63.655 63.655 64.227 -0.572 25944 4572 1 9 . 1 1 7 7 SER H H 7 7.866 7.866 8.399 -0.533 25944 4573 1 9 . 1 1 8 8 LEU N N 8 123.236 123.236 123.083 0.153 25944 4574 1 9 . 1 1 8 8 LEU HA H 8 4.156 4.156 4.684 -0.528 25944 4575 1 9 . 1 1 8 8 LEU C C 8 176.617 176.617 175.856 0.761 25944 4576 1 9 . 1 1 8 8 LEU CA C 8 55.368 55.368 54.500 0.868 25944 4577 1 9 . 1 1 8 8 LEU CB C 8 42.800 42.800 42.675 0.125 25944 4578 1 9 . 1 1 8 8 LEU H H 8 7.786 7.786 8.416 -0.630 25944 4579 1 9 . 1 1 9 9 ASN N N 9 120.087 120.087 125.437 -5.350 25944 4580 1 9 . 1 1 9 9 ASN HA H 9 4.502 4.502 4.807 -0.305 25944 4581 1 9 . 1 1 9 9 ASN C C 9 175.557 175.557 174.886 0.671 25944 4582 1 9 . 1 1 9 9 ASN CA C 9 52.922 52.922 53.412 -0.490 25944 4583 1 9 . 1 1 9 9 ASN CB C 9 38.529 38.529 38.694 -0.166 25944 4584 1 9 . 1 1 9 9 ASN H H 9 8.127 8.127 8.960 -0.833 25944 4585 1 9 . 1 1 10 10 GLU N N 10 121.943 121.943 120.851 1.092 25944 4586 1 9 . 1 1 10 10 GLU HA H 10 3.419 3.419 4.679 -1.260 25944 4587 1 9 . 1 1 10 10 GLU C C 10 176.176 176.176 176.035 0.141 25944 4588 1 9 . 1 1 10 10 GLU CA C 10 58.261 58.261 56.679 1.582 25944 4589 1 9 . 1 1 10 10 GLU CB C 10 29.371 29.371 30.083 -0.712 25944 4590 1 9 . 1 1 10 10 GLU H H 10 8.479 8.479 8.572 -0.093 25944 4591 1 9 . 1 1 11 11 GLU N N 11 117.932 117.932 120.008 -2.076 25944 4592 1 9 . 1 1 11 11 GLU HA H 11 3.893 3.893 4.330 -0.437 25944 4593 1 9 . 1 1 11 11 GLU C C 11 178.292 178.292 175.588 2.704 25944 4594 1 9 . 1 1 11 11 GLU CA C 11 57.418 57.418 56.094 1.324 25944 4595 1 9 . 1 1 11 11 GLU CB C 11 28.967 28.967 29.726 -0.759 25944 4596 1 9 . 1 1 11 11 GLU H H 11 7.876 7.876 8.483 -0.607 25944 4597 1 9 . 1 1 12 12 MET N N 12 118.969 118.969 116.379 2.590 25944 4598 1 9 . 1 1 12 12 MET HA H 12 3.810 3.810 3.944 -0.134 25944 4599 1 9 . 1 1 12 12 MET C C 12 175.419 175.419 175.326 0.093 25944 4600 1 9 . 1 1 12 12 MET CA C 12 57.481 57.481 56.067 1.414 25944 4601 1 9 . 1 1 12 12 MET CB C 12 32.160 32.160 32.432 -0.272 25944 4602 1 9 . 1 1 12 12 MET H H 12 7.524 7.524 7.550 -0.026 25944 4603 1 9 . 1 1 13 13 PHE N N 13 113.294 113.294 112.709 0.585 25944 4604 1 9 . 1 1 13 13 PHE HA H 13 4.463 4.463 4.508 -0.045 25944 4605 1 9 . 1 1 13 13 PHE C C 13 176.009 176.009 174.438 1.571 25944 4606 1 9 . 1 1 13 13 PHE CA C 13 54.932 54.932 57.425 -2.493 25944 4607 1 9 . 1 1 13 13 PHE CB C 13 37.856 37.856 39.890 -2.034 25944 4608 1 9 . 1 1 13 13 PHE H H 13 6.975 6.975 6.985 -0.010 25944 4609 1 9 . 1 1 14 14 ASN N N 14 116.706 116.706 117.644 -0.938 25944 4610 1 9 . 1 1 14 14 ASN HA H 14 4.778 4.778 4.832 -0.054 25944 4611 1 9 . 1 1 14 14 ASN C C 14 176.202 176.202 175.720 0.482 25944 4612 1 9 . 1 1 14 14 ASN CA C 14 52.333 52.333 53.475 -1.142 25944 4613 1 9 . 1 1 14 14 ASN CB C 14 36.421 36.421 37.379 -0.958 25944 4614 1 9 . 1 1 14 14 ASN H H 14 7.211 7.211 7.861 -0.650 25944 4615 1 9 . 1 1 15 15 VAL N N 15 121.352 121.352 116.711 4.641 25944 4616 1 9 . 1 1 15 15 VAL HA H 15 3.642 3.642 3.541 0.101 25944 4617 1 9 . 1 1 15 15 VAL C C 15 177.523 177.523 176.614 0.909 25944 4618 1 9 . 1 1 15 15 VAL CA C 15 63.407 63.407 64.948 -1.541 25944 4619 1 9 . 1 1 15 15 VAL CB C 15 31.120 31.120 30.591 0.529 25944 4620 1 9 . 1 1 15 15 VAL H H 15 7.971 7.971 8.972 -1.001 25944 4621 1 9 . 1 1 16 16 ALA N N 16 124.345 124.345 118.165 6.180 25944 4622 1 9 . 1 1 16 16 ALA HA H 16 4.170 4.170 4.258 -0.088 25944 4623 1 9 . 1 1 16 16 ALA C C 16 178.288 178.288 177.259 1.029 25944 4624 1 9 . 1 1 16 16 ALA CA C 16 54.170 54.170 53.174 0.996 25944 4625 1 9 . 1 1 16 16 ALA CB C 16 17.945 17.945 18.724 -0.779 25944 4626 1 9 . 1 1 16 16 ALA H H 16 8.414 8.414 8.204 0.210 25944 4627 1 9 . 1 1 17 17 ALA N N 17 116.960 116.960 120.087 -3.127 25944 4628 1 9 . 1 1 17 17 ALA HA H 17 4.309 4.309 4.605 -0.296 25944 4629 1 9 . 1 1 17 17 ALA C C 17 177.660 177.660 177.067 0.593 25944 4630 1 9 . 1 1 17 17 ALA CA C 17 51.666 51.666 51.748 -0.082 25944 4631 1 9 . 1 1 17 17 ALA CB C 17 19.331 19.331 20.343 -1.012 25944 4632 1 9 . 1 1 17 17 ALA H H 17 7.099 7.099 7.628 -0.529 25944 4633 1 9 . 1 1 18 18 LEU N N 18 119.640 119.640 118.585 1.055 25944 4634 1 9 . 1 1 18 18 LEU HA H 18 4.479 4.479 4.765 -0.286 25944 4635 1 9 . 1 1 18 18 LEU C C 18 176.424 176.424 175.429 0.995 25944 4636 1 9 . 1 1 18 18 LEU CA C 18 54.960 54.960 54.897 0.063 25944 4637 1 9 . 1 1 18 18 LEU CB C 18 42.000 42.000 43.595 -1.595 25944 4638 1 9 . 1 1 18 18 LEU H H 18 7.256 7.256 7.525 -0.269 25944 4639 1 9 . 1 1 19 19 THR N N 19 110.240 110.240 115.438 -5.198 25944 4640 1 9 . 1 1 19 19 THR HA H 19 4.389 4.389 4.591 -0.202 25944 4641 1 9 . 1 1 19 19 THR C C 19 174.905 174.905 174.025 0.880 25944 4642 1 9 . 1 1 19 19 THR CA C 19 61.970 61.970 61.749 0.221 25944 4643 1 9 . 1 1 19 19 THR CB C 19 70.500 70.500 70.053 0.447 25944 4644 1 9 . 1 1 19 19 THR H H 19 8.319 8.319 8.318 0.001 25944 4645 1 9 . 1 1 20 20 LYS N N 20 121.645 121.645 124.258 -2.613 25944 4646 1 9 . 1 1 20 20 LYS HA H 20 4.724 4.724 4.392 0.332 25944 4647 1 9 . 1 1 20 20 LYS C C 20 177.100 177.100 175.609 1.491 25944 4648 1 9 . 1 1 20 20 LYS CA C 20 54.890 54.890 56.211 -1.321 25944 4649 1 9 . 1 1 20 20 LYS CB C 20 33.700 33.700 34.067 -0.367 25944 4650 1 9 . 1 1 20 20 LYS H H 20 7.854 7.854 8.206 -0.352 25944 4651 1 9 . 1 1 21 21 ARG N N 21 126.200 126.200 120.729 5.471 25944 4652 1 9 . 1 1 21 21 ARG HA H 21 3.831 3.831 4.160 -0.329 25944 4653 1 9 . 1 1 21 21 ARG C C 21 178.431 178.431 178.250 0.181 25944 4654 1 9 . 1 1 21 21 ARG CA C 21 60.280 60.280 58.555 1.725 25944 4655 1 9 . 1 1 21 21 ARG CB C 21 30.600 30.600 30.430 0.170 25944 4656 1 9 . 1 1 21 21 ARG H H 21 9.171 9.171 8.570 0.601 25944 4657 1 9 . 1 1 22 22 ALA N N 22 118.555 118.555 122.350 -3.795 25944 4658 1 9 . 1 1 22 22 ALA HA H 22 4.053 4.053 4.180 -0.127 25944 4659 1 9 . 1 1 22 22 ALA C C 22 180.573 180.573 178.736 1.837 25944 4660 1 9 . 1 1 22 22 ALA CA C 22 55.480 55.480 54.801 0.679 25944 4661 1 9 . 1 1 22 22 ALA CB C 22 18.700 18.700 18.098 0.602 25944 4662 1 9 . 1 1 22 22 ALA H H 22 8.982 8.982 8.371 0.611 25944 4663 1 9 . 1 1 23 23 ASP N N 23 116.363 116.363 119.643 -3.280 25944 4664 1 9 . 1 1 23 23 ASP HA H 23 4.455 4.455 4.455 -0.000 25944 4665 1 9 . 1 1 23 23 ASP C C 23 178.418 178.418 178.282 0.136 25944 4666 1 9 . 1 1 23 23 ASP CA C 23 56.697 56.697 56.602 0.095 25944 4667 1 9 . 1 1 23 23 ASP CB C 23 41.260 41.260 40.482 0.778 25944 4668 1 9 . 1 1 23 23 ASP H H 23 6.880 6.880 8.674 -1.794 25944 4669 1 9 . 1 1 24 24 ALA N N 24 124.072 124.072 121.502 2.570 25944 4670 1 9 . 1 1 24 24 ALA HA H 24 4.307 4.307 4.236 0.071 25944 4671 1 9 . 1 1 24 24 ALA C C 24 178.301 178.301 179.067 -0.766 25944 4672 1 9 . 1 1 24 24 ALA CA C 24 55.376 55.376 55.360 0.016 25944 4673 1 9 . 1 1 24 24 ALA CB C 24 17.900 17.900 18.597 -0.697 25944 4674 1 9 . 1 1 24 24 ALA H H 24 7.882 7.882 8.139 -0.257 25944 4675 1 9 . 1 1 25 25 LYS N N 25 118.064 118.064 119.337 -1.273 25944 4676 1 9 . 1 1 25 25 LYS HA H 25 3.748 3.748 3.838 -0.090 25944 4677 1 9 . 1 1 25 25 LYS C C 25 177.149 177.149 178.357 -1.208 25944 4678 1 9 . 1 1 25 25 LYS CA C 25 60.613 60.613 58.991 1.622 25944 4679 1 9 . 1 1 25 25 LYS CB C 25 32.433 32.433 31.974 0.459 25944 4680 1 9 . 1 1 25 25 LYS H H 25 8.799 8.799 7.666 1.133 25944 4681 1 9 . 1 1 26 26 LYS N N 26 116.995 116.995 118.922 -1.927 25944 4682 1 9 . 1 1 26 26 LYS HA H 26 3.919 3.919 4.090 -0.171 25944 4683 1 9 . 1 1 26 26 LYS C C 26 179.262 179.262 179.188 0.074 25944 4684 1 9 . 1 1 26 26 LYS CA C 26 59.980 59.980 59.467 0.513 25944 4685 1 9 . 1 1 26 26 LYS CB C 26 32.370 32.370 32.329 0.041 25944 4686 1 9 . 1 1 26 26 LYS H H 26 7.507 7.507 7.716 -0.209 25944 4687 1 9 . 1 1 27 27 LEU N N 27 118.319 118.319 119.365 -1.046 25944 4688 1 9 . 1 1 27 27 LEU HA H 27 4.387 4.387 4.325 0.062 25944 4689 1 9 . 1 1 27 27 LEU C C 27 178.187 178.187 178.734 -0.547 25944 4690 1 9 . 1 1 27 27 LEU CA C 27 57.928 57.928 57.400 0.528 25944 4691 1 9 . 1 1 27 27 LEU CB C 27 40.941 40.941 42.580 -1.639 25944 4692 1 9 . 1 1 27 27 LEU H H 27 7.359 7.359 7.896 -0.537 25944 4693 1 9 . 1 1 28 28 ALA N N 28 121.257 121.257 121.703 -0.446 25944 4694 1 9 . 1 1 28 28 ALA HA H 28 3.677 3.677 4.273 -0.596 25944 4695 1 9 . 1 1 28 28 ALA C C 28 179.000 179.000 179.160 -0.160 25944 4696 1 9 . 1 1 28 28 ALA CA C 28 56.364 56.364 55.135 1.229 25944 4697 1 9 . 1 1 28 28 ALA CB C 28 16.138 16.138 17.697 -1.559 25944 4698 1 9 . 1 1 28 28 ALA H H 28 8.571 8.571 8.226 0.345 25944 4699 1 9 . 1 1 29 29 LYS N N 29 114.495 114.495 119.606 -5.111 25944 4700 1 9 . 1 1 29 29 LYS HA H 29 3.834 3.834 4.028 -0.194 25944 4701 1 9 . 1 1 29 29 LYS C C 29 180.597 180.597 179.205 1.392 25944 4702 1 9 . 1 1 29 29 LYS CA C 29 60.073 60.073 59.252 0.821 25944 4703 1 9 . 1 1 29 29 LYS CB C 29 32.334 32.334 32.270 0.064 25944 4704 1 9 . 1 1 29 29 LYS H H 29 8.312 8.312 8.275 0.037 25944 4705 1 9 . 1 1 30 30 GLN N N 30 119.983 119.983 118.932 1.051 25944 4706 1 9 . 1 1 30 30 GLN HA H 30 4.120 4.120 4.153 -0.033 25944 4707 1 9 . 1 1 30 30 GLN C C 30 179.114 179.114 178.275 0.839 25944 4708 1 9 . 1 1 30 30 GLN CA C 30 59.063 59.063 58.510 0.553 25944 4709 1 9 . 1 1 30 30 GLN CB C 30 29.010 29.010 28.156 0.854 25944 4710 1 9 . 1 1 30 30 GLN H H 30 7.793 7.793 7.819 -0.026 25944 4711 1 9 . 1 1 31 31 LEU N N 31 117.633 117.633 118.444 -0.811 25944 4712 1 9 . 1 1 31 31 LEU HA H 31 3.927 3.927 4.328 -0.401 25944 4713 1 9 . 1 1 31 31 LEU C C 31 178.747 178.747 177.637 1.110 25944 4714 1 9 . 1 1 31 31 LEU CA C 31 57.608 57.608 56.536 1.071 25944 4715 1 9 . 1 1 31 31 LEU CB C 31 41.099 41.099 42.406 -1.307 25944 4716 1 9 . 1 1 31 31 LEU H H 31 8.348 8.348 7.660 0.688 25944 4717 1 9 . 1 1 32 32 MET N N 32 115.087 115.087 115.067 0.020 25944 4718 1 9 . 1 1 32 32 MET HA H 32 4.291 4.291 4.595 -0.304 25944 4719 1 9 . 1 1 32 32 MET C C 32 178.337 178.337 176.805 1.532 25944 4720 1 9 . 1 1 32 32 MET CA C 32 56.190 56.190 55.991 0.199 25944 4721 1 9 . 1 1 32 32 MET CB C 32 33.237 33.237 33.329 -0.092 25944 4722 1 9 . 1 1 32 32 MET H H 32 8.083 8.083 7.708 0.375 25944 4723 1 9 . 1 1 33 33 GLY N N 33 102.979 102.979 108.244 -5.265 25944 4724 1 9 . 1 1 33 33 GLY C C 33 173.716 173.716 174.341 -0.625 25944 4725 1 9 . 1 1 33 33 GLY CA C 33 45.341 45.341 45.056 0.285 25944 4726 1 9 . 1 1 33 33 GLY H H 33 7.514 7.514 7.609 -0.095 25944 4727 1 9 . 1 1 34 34 ASN N N 34 117.931 117.931 122.687 -4.756 25944 4728 1 9 . 1 1 34 34 ASN HA H 34 4.911 4.911 4.916 -0.005 25944 4729 1 9 . 1 1 34 34 ASN C C 34 173.721 173.721 175.513 -1.792 25944 4730 1 9 . 1 1 34 34 ASN CA C 34 52.465 52.465 53.390 -0.925 25944 4731 1 9 . 1 1 34 34 ASN CB C 34 39.303 39.303 39.427 -0.124 25944 4732 1 9 . 1 1 34 34 ASN H H 34 7.176 7.176 8.294 -1.118 25944 4733 1 9 . 1 1 35 35 ASP N N 35 125.367 125.367 126.487 -1.120 25944 4734 1 9 . 1 1 35 35 ASP HA H 35 4.396 4.396 4.404 -0.008 25944 4735 1 9 . 1 1 35 35 ASP C C 35 177.810 177.810 177.593 0.217 25944 4736 1 9 . 1 1 35 35 ASP CA C 35 57.193 57.193 57.253 -0.060 25944 4737 1 9 . 1 1 35 35 ASP CB C 35 40.007 40.007 40.839 -0.832 25944 4738 1 9 . 1 1 35 35 ASP H H 35 8.857 8.857 8.900 -0.043 25944 4739 1 9 . 1 1 36 36 LYS N N 36 119.269 119.269 119.719 -0.450 25944 4740 1 9 . 1 1 36 36 LYS HA H 36 4.146 4.146 4.189 -0.043 25944 4741 1 9 . 1 1 36 36 LYS C C 36 179.704 179.704 178.318 1.386 25944 4742 1 9 . 1 1 36 36 LYS CA C 36 58.391 58.391 58.247 0.144 25944 4743 1 9 . 1 1 36 36 LYS CB C 36 31.904 31.904 31.644 0.260 25944 4744 1 9 . 1 1 36 36 LYS H H 36 7.972 7.972 8.094 -0.122 25944 4745 1 9 . 1 1 37 37 LEU N N 37 122.961 122.961 120.703 2.258 25944 4746 1 9 . 1 1 37 37 LEU HA H 37 3.938 3.938 4.218 -0.280 25944 4747 1 9 . 1 1 37 37 LEU C C 37 177.699 177.699 178.165 -0.466 25944 4748 1 9 . 1 1 37 37 LEU CA C 37 56.863 56.863 56.901 -0.038 25944 4749 1 9 . 1 1 37 37 LEU CB C 37 42.072 42.072 41.678 0.394 25944 4750 1 9 . 1 1 37 37 LEU H H 37 7.370 7.370 7.653 -0.283 25944 4751 1 9 . 1 1 38 38 ALA N N 38 120.603 120.603 120.947 -0.344 25944 4752 1 9 . 1 1 38 38 ALA HA H 38 3.270 3.270 3.828 -0.558 25944 4753 1 9 . 1 1 38 38 ALA C C 38 176.450 176.450 179.302 -2.852 25944 4754 1 9 . 1 1 38 38 ALA CA C 38 55.268 55.268 55.341 -0.073 25944 4755 1 9 . 1 1 38 38 ALA CB C 38 16.619 16.619 17.864 -1.245 25944 4756 1 9 . 1 1 38 38 ALA H H 38 7.918 7.918 8.404 -0.486 25944 4757 1 9 . 1 1 39 39 ASP N N 39 113.981 113.981 119.046 -5.065 25944 4758 1 9 . 1 1 39 39 ASP HA H 39 4.082 4.082 4.557 -0.475 25944 4759 1 9 . 1 1 39 39 ASP C C 39 178.258 178.258 177.917 0.341 25944 4760 1 9 . 1 1 39 39 ASP CA C 39 57.308 57.308 57.519 -0.211 25944 4761 1 9 . 1 1 39 39 ASP CB C 39 40.859 40.859 40.708 0.151 25944 4762 1 9 . 1 1 39 39 ASP H H 39 7.594 7.594 7.961 -0.367 25944 4763 1 9 . 1 1 40 40 ALA N N 40 119.475 119.475 120.282 -0.807 25944 4764 1 9 . 1 1 40 40 ALA HA H 40 3.831 3.831 4.254 -0.423 25944 4765 1 9 . 1 1 40 40 ALA C C 40 179.459 179.459 178.792 0.667 25944 4766 1 9 . 1 1 40 40 ALA CA C 40 54.590 54.590 53.848 0.742 25944 4767 1 9 . 1 1 40 40 ALA CB C 40 17.241 17.241 18.554 -1.313 25944 4768 1 9 . 1 1 40 40 ALA H H 40 6.934 6.934 7.665 -0.731 25944 4769 1 9 . 1 1 41 41 ALA N N 41 124.918 124.918 123.501 1.417 25944 4770 1 9 . 1 1 41 41 ALA HA H 41 1.920 1.920 2.592 -0.672 25944 4771 1 9 . 1 1 41 41 ALA C C 41 177.309 177.309 177.891 -0.582 25944 4772 1 9 . 1 1 41 41 ALA CA C 41 54.473 54.473 53.972 0.501 25944 4773 1 9 . 1 1 41 41 ALA CB C 41 16.412 16.412 18.124 -1.712 25944 4774 1 9 . 1 1 41 41 ALA H H 41 7.384 7.384 7.505 -0.121 25944 4775 1 9 . 1 1 42 42 TYR N N 42 115.340 115.340 117.228 -1.888 25944 4776 1 9 . 1 1 42 42 TYR HA H 42 4.164 4.164 4.385 -0.221 25944 4777 1 9 . 1 1 42 42 TYR C C 42 179.228 179.228 177.556 1.672 25944 4778 1 9 . 1 1 42 42 TYR CA C 42 58.300 58.300 60.743 -2.443 25944 4779 1 9 . 1 1 42 42 TYR CB C 42 35.365 35.365 37.969 -2.604 25944 4780 1 9 . 1 1 42 42 TYR H H 42 7.639 7.639 8.429 -0.790 25944 4781 1 9 . 1 1 43 43 ILE N N 43 117.754 117.754 117.897 -0.143 25944 4782 1 9 . 1 1 43 43 ILE HA H 43 3.839 3.839 3.449 0.390 25944 4783 1 9 . 1 1 43 43 ILE C C 43 178.090 178.090 177.267 0.823 25944 4784 1 9 . 1 1 43 43 ILE CA C 43 64.721 64.721 61.281 3.440 25944 4785 1 9 . 1 1 43 43 ILE CB C 43 39.511 39.511 36.685 2.826 25944 4786 1 9 . 1 1 43 43 ILE H H 43 7.321 7.321 6.998 0.323 25944 4787 1 9 . 1 1 44 44 TRP N N 44 124.439 124.439 123.227 1.212 25944 4788 1 9 . 1 1 44 44 TRP HA H 44 4.049 4.049 4.211 -0.162 25944 4789 1 9 . 1 1 44 44 TRP C C 44 181.073 181.073 177.896 3.177 25944 4790 1 9 . 1 1 44 44 TRP CA C 44 63.008 63.008 61.413 1.595 25944 4791 1 9 . 1 1 44 44 TRP CB C 44 30.286 30.286 29.282 1.004 25944 4792 1 9 . 1 1 44 44 TRP H H 44 8.016 8.016 7.047 0.969 25944 4793 1 9 . 1 1 45 45 TRP N N 45 121.640 121.640 118.678 2.962 25944 4794 1 9 . 1 1 45 45 TRP HA H 45 4.537 4.537 4.563 -0.026 25944 4795 1 9 . 1 1 45 45 TRP C C 45 178.515 178.515 179.270 -0.755 25944 4796 1 9 . 1 1 45 45 TRP CA C 45 58.862 58.862 59.643 -0.781 25944 4797 1 9 . 1 1 45 45 TRP CB C 45 28.572 28.572 28.494 0.078 25944 4798 1 9 . 1 1 45 45 TRP H H 45 10.044 10.044 8.173 1.871 25944 4799 1 9 . 1 1 46 46 GLN N N 46 120.394 120.394 118.375 2.019 25944 4800 1 9 . 1 1 46 46 GLN HA H 46 4.276 4.276 3.981 0.295 25944 4801 1 9 . 1 1 46 46 GLN C C 46 180.992 180.992 178.293 2.699 25944 4802 1 9 . 1 1 46 46 GLN CA C 46 59.809 59.809 58.998 0.811 25944 4803 1 9 . 1 1 46 46 GLN CB C 46 26.732 26.732 28.091 -1.359 25944 4804 1 9 . 1 1 46 46 GLN H H 46 8.652 8.652 8.253 0.399 25944 4805 1 9 . 1 1 47 47 HIS N N 47 118.999 118.999 118.332 0.667 25944 4806 1 9 . 1 1 47 47 HIS HA H 47 4.304 4.304 4.222 0.082 25944 4807 1 9 . 1 1 47 47 HIS C C 47 175.745 175.745 175.594 0.151 25944 4808 1 9 . 1 1 47 47 HIS CA C 47 53.405 53.405 58.396 -4.991 25944 4809 1 9 . 1 1 47 47 HIS CB C 47 28.839 28.839 29.407 -0.568 25944 4810 1 9 . 1 1 47 47 HIS H H 47 8.640 8.640 7.622 1.018 25944 4811 1 9 . 1 1 48 48 ASN N N 48 115.577 115.577 115.392 0.185 25944 4812 1 9 . 1 1 48 48 ASN HA H 48 4.387 4.387 4.572 -0.185 25944 4813 1 9 . 1 1 48 48 ASN C C 48 172.379 172.379 174.341 -1.962 25944 4814 1 9 . 1 1 48 48 ASN CA C 48 53.783 53.783 52.615 1.168 25944 4815 1 9 . 1 1 48 48 ASN CB C 48 38.582 38.582 38.149 0.433 25944 4816 1 9 . 1 1 48 48 ASN H H 48 7.851 7.851 7.659 0.192 25944 4817 1 9 . 1 1 49 49 ARG N N 49 114.746 114.746 115.282 -0.536 25944 4818 1 9 . 1 1 49 49 ARG HA H 49 3.837 3.837 4.001 -0.164 25944 4819 1 9 . 1 1 49 49 ARG C C 49 175.105 175.105 175.574 -0.469 25944 4820 1 9 . 1 1 49 49 ARG CA C 49 57.252 57.252 56.598 0.654 25944 4821 1 9 . 1 1 49 49 ARG CB C 49 26.100 26.100 26.852 -0.751 25944 4822 1 9 . 1 1 49 49 ARG H H 49 7.790 7.790 8.103 -0.313 25944 4823 1 9 . 1 1 50 50 VAL N N 50 120.612 120.612 118.324 2.288 25944 4824 1 9 . 1 1 50 50 VAL HA H 50 4.169 4.169 3.991 0.178 25944 4825 1 9 . 1 1 50 50 VAL C C 50 178.261 178.261 175.380 2.881 25944 4826 1 9 . 1 1 50 50 VAL CA C 50 63.272 63.272 63.212 0.060 25944 4827 1 9 . 1 1 50 50 VAL CB C 50 31.060 31.060 33.194 -2.134 25944 4828 1 9 . 1 1 50 50 VAL H H 50 8.556 8.556 7.598 0.958 25944 4829 1 9 . 1 1 51 51 THR N N 51 122.788 122.788 117.057 5.731 25944 4830 1 9 . 1 1 51 51 THR HA H 51 4.761 4.761 4.569 0.193 25944 4831 1 9 . 1 1 51 51 THR C C 51 176.097 176.097 175.609 0.488 25944 4832 1 9 . 1 1 51 51 THR CA C 51 60.823 60.823 59.754 1.069 25944 4833 1 9 . 1 1 51 51 THR CB C 51 71.497 71.497 70.934 0.563 25944 4834 1 9 . 1 1 51 51 THR H H 51 8.706 8.706 8.172 0.534 25944 4835 1 9 . 1 1 52 52 LEU N N 52 120.755 120.755 127.895 -7.140 25944 4836 1 9 . 1 1 52 52 LEU HA H 52 3.996 3.996 4.024 -0.028 25944 4837 1 9 . 1 1 52 52 LEU C C 52 179.154 179.154 178.262 0.892 25944 4838 1 9 . 1 1 52 52 LEU CA C 52 58.472 58.472 57.731 0.741 25944 4839 1 9 . 1 1 52 52 LEU CB C 52 40.238 40.238 41.526 -1.288 25944 4840 1 9 . 1 1 52 52 LEU H H 52 8.990 8.990 8.944 0.046 25944 4841 1 9 . 1 1 53 53 ASP N N 53 117.391 117.391 116.756 0.635 25944 4842 1 9 . 1 1 53 53 ASP HA H 53 4.547 4.547 4.332 0.215 25944 4843 1 9 . 1 1 53 53 ASP C C 53 178.795 178.795 178.871 -0.076 25944 4844 1 9 . 1 1 53 53 ASP CA C 53 57.267 57.267 57.087 0.180 25944 4845 1 9 . 1 1 53 53 ASP CB C 53 40.462 40.462 40.193 0.269 25944 4846 1 9 . 1 1 53 53 ASP H H 53 8.204 8.204 8.197 0.008 25944 4847 1 9 . 1 1 54 54 GLN N N 54 119.886 119.886 119.603 0.283 25944 4848 1 9 . 1 1 54 54 GLN C C 54 179.913 179.913 177.879 2.034 25944 4849 1 9 . 1 1 54 54 GLN CA C 54 59.022 59.022 58.443 0.579 25944 4850 1 9 . 1 1 54 54 GLN CB C 54 29.100 29.100 29.079 0.021 25944 4851 1 9 . 1 1 54 54 GLN H H 54 7.761 7.761 7.699 0.062 25944 4852 1 9 . 1 1 55 55 ILE N N 55 121.501 121.501 120.344 1.157 25944 4853 1 9 . 1 1 55 55 ILE C C 55 177.425 177.425 177.966 -0.541 25944 4854 1 9 . 1 1 55 55 ILE CA C 55 61.603 61.603 63.721 -2.119 25944 4855 1 9 . 1 1 55 55 ILE CB C 55 33.900 33.900 36.370 -2.470 25944 4856 1 9 . 1 1 55 55 ILE H H 55 7.864 7.864 7.644 0.220 25944 4857 1 9 . 1 1 56 56 ASP N N 56 122.017 122.017 120.049 1.968 25944 4858 1 9 . 1 1 56 56 ASP HA H 56 4.337 4.337 3.392 0.945 25944 4859 1 9 . 1 1 56 56 ASP C C 56 177.692 177.692 177.886 -0.194 25944 4860 1 9 . 1 1 56 56 ASP CA C 56 58.337 58.337 57.344 0.993 25944 4861 1 9 . 1 1 56 56 ASP CB C 56 42.299 42.299 40.304 1.995 25944 4862 1 9 . 1 1 56 56 ASP H H 56 8.840 8.840 8.584 0.256 25944 4863 1 9 . 1 1 57 57 THR N N 57 114.652 114.652 115.006 -0.354 25944 4864 1 9 . 1 1 57 57 THR HA H 57 4.239 4.239 3.955 0.284 25944 4865 1 9 . 1 1 57 57 THR C C 57 176.138 176.138 176.263 -0.125 25944 4866 1 9 . 1 1 57 57 THR CA C 57 67.433 67.433 65.618 1.815 25944 4867 1 9 . 1 1 57 57 THR CB C 57 68.636 68.636 68.647 -0.011 25944 4868 1 9 . 1 1 57 57 THR H H 57 8.148 8.148 7.605 0.543 25944 4869 1 9 . 1 1 58 58 PHE N N 58 124.453 124.453 122.475 1.978 25944 4870 1 9 . 1 1 58 58 PHE HA H 58 4.598 4.598 4.313 0.285 25944 4871 1 9 . 1 1 58 58 PHE C C 58 176.122 176.122 176.041 0.081 25944 4872 1 9 . 1 1 58 58 PHE CA C 58 59.150 59.150 60.573 -1.423 25944 4873 1 9 . 1 1 58 58 PHE CB C 58 38.571 38.571 39.035 -0.464 25944 4874 1 9 . 1 1 58 58 PHE H H 58 7.650 7.650 7.201 0.449 25944 4875 1 9 . 1 1 59 59 LEU N N 59 120.652 120.652 120.396 0.256 25944 4876 1 9 . 1 1 59 59 LEU HA H 59 3.423 3.423 3.249 0.174 25944 4877 1 9 . 1 1 59 59 LEU C C 59 179.603 179.603 178.711 0.892 25944 4878 1 9 . 1 1 59 59 LEU CA C 59 57.710 57.710 58.196 -0.486 25944 4879 1 9 . 1 1 59 59 LEU CB C 59 39.800 39.800 41.895 -2.095 25944 4880 1 9 . 1 1 59 59 LEU H H 59 8.543 8.543 8.609 -0.066 25944 4881 1 9 . 1 1 60 60 LYS N N 60 119.870 119.870 118.957 0.913 25944 4882 1 9 . 1 1 60 60 LYS HA H 60 3.563 3.563 3.781 -0.218 25944 4883 1 9 . 1 1 60 60 LYS C C 60 178.258 178.258 179.228 -0.970 25944 4884 1 9 . 1 1 60 60 LYS CA C 60 59.797 59.797 59.306 0.491 25944 4885 1 9 . 1 1 60 60 LYS CB C 60 32.464 32.464 32.040 0.424 25944 4886 1 9 . 1 1 60 60 LYS H H 60 8.105 8.105 7.846 0.259 25944 4887 1 9 . 1 1 61 61 LEU N N 61 120.600 120.600 116.036 4.564 25944 4888 1 9 . 1 1 61 61 LEU HA H 61 4.117 4.117 4.034 0.083 25944 4889 1 9 . 1 1 61 61 LEU C C 61 178.029 178.029 177.029 1.000 25944 4890 1 9 . 1 1 61 61 LEU CA C 61 56.880 56.880 57.267 -0.387 25944 4891 1 9 . 1 1 61 61 LEU CB C 61 42.059 42.059 41.442 0.617 25944 4892 1 9 . 1 1 61 61 LEU H H 61 7.496 7.496 7.384 0.112 25944 4893 1 9 . 1 1 62 62 ALA N N 62 118.900 118.900 119.368 -0.468 25944 4894 1 9 . 1 1 62 62 ALA HA H 62 3.901 3.901 4.277 -0.376 25944 4895 1 9 . 1 1 62 62 ALA C C 62 178.505 178.505 177.865 0.640 25944 4896 1 9 . 1 1 62 62 ALA CA C 62 54.603 54.603 52.090 2.514 25944 4897 1 9 . 1 1 62 62 ALA CB C 62 19.400 19.400 19.655 -0.255 25944 4898 1 9 . 1 1 62 62 ALA H H 62 7.827 7.827 7.576 0.251 25944 4899 1 9 . 1 1 63 63 SER N N 63 111.351 111.351 114.176 -2.825 25944 4900 1 9 . 1 1 63 63 SER HA H 63 3.390 3.390 4.450 -1.060 25944 4901 1 9 . 1 1 63 63 SER C C 63 170.257 170.257 173.799 -3.542 25944 4902 1 9 . 1 1 63 63 SER CA C 63 59.687 59.687 57.391 2.296 25944 4903 1 9 . 1 1 63 63 SER CB C 63 62.300 62.300 64.234 -1.934 25944 4904 1 9 . 1 1 63 63 SER H H 63 7.839 7.839 7.814 0.025 25944 4905 1 9 . 1 1 67 67 GLN N N 67 122.300 122.300 115.475 6.825 25944 4906 1 9 . 1 1 67 67 GLN HA H 67 4.009 4.009 3.993 0.016 25944 4907 1 9 . 1 1 67 67 GLN C C 67 176.000 176.000 175.799 0.201 25944 4908 1 9 . 1 1 67 67 GLN CA C 67 56.950 56.950 56.821 0.130 25944 4909 1 9 . 1 1 67 67 GLN CB C 67 26.500 26.500 26.646 -0.146 25944 4910 1 9 . 1 1 67 67 GLN H H 67 8.201 8.201 8.326 -0.125 25944 4911 1 9 . 1 1 68 68 GLY N N 68 105.200 105.200 104.090 1.110 25944 4912 1 9 . 1 1 68 68 GLY C C 68 174.914 174.914 174.263 0.651 25944 4913 1 9 . 1 1 68 68 GLY CA C 68 45.622 45.622 45.420 0.202 25944 4914 1 9 . 1 1 68 68 GLY H H 68 8.512 8.512 7.878 0.634 25944 4915 1 9 . 1 1 69 69 ALA N N 69 125.585 125.585 128.099 -2.514 25944 4916 1 9 . 1 1 69 69 ALA HA H 69 4.020 4.020 4.064 -0.044 25944 4917 1 9 . 1 1 69 69 ALA C C 69 180.176 180.176 179.244 0.932 25944 4918 1 9 . 1 1 69 69 ALA CA C 69 55.000 55.000 54.460 0.540 25944 4919 1 9 . 1 1 69 69 ALA CB C 69 18.200 18.200 18.920 -0.720 25944 4920 1 9 . 1 1 69 69 ALA H H 69 8.046 8.046 8.582 -0.536 25944 4921 1 9 . 1 1 70 70 LYS N N 70 116.500 116.500 118.337 -1.837 25944 4922 1 9 . 1 1 70 70 LYS HA H 70 3.923 3.923 4.138 -0.215 25944 4923 1 9 . 1 1 70 70 LYS C C 70 176.800 176.800 178.019 -1.219 25944 4924 1 9 . 1 1 70 70 LYS CA C 70 58.530 58.530 57.612 0.918 25944 4925 1 9 . 1 1 70 70 LYS H H 70 7.928 7.928 8.639 -0.711 25944 4926 1 9 . 1 1 71 71 TYR N N 71 116.400 116.400 119.661 -3.261 25944 4927 1 9 . 1 1 71 71 TYR HA H 71 5.173 5.173 4.220 0.953 25944 4928 1 9 . 1 1 71 71 TYR C C 71 175.800 175.800 176.727 -0.927 25944 4929 1 9 . 1 1 71 71 TYR CA C 71 55.810 55.810 60.589 -4.779 25944 4930 1 9 . 1 1 71 71 TYR CB C 71 40.500 40.500 37.886 2.614 25944 4931 1 9 . 1 1 71 71 TYR H H 71 7.465 7.465 8.234 -0.769 25944 4932 1 9 . 1 1 72 72 ASN N N 72 120.200 120.200 115.722 4.478 25944 4933 1 9 . 1 1 72 72 ASN HA H 72 4.421 4.421 4.077 0.344 25944 4934 1 9 . 1 1 72 72 ASN C C 72 176.000 176.000 177.345 -1.345 25944 4935 1 9 . 1 1 72 72 ASN CA C 72 56.600 56.600 54.382 2.218 25944 4936 1 9 . 1 1 72 72 ASN CB C 72 38.690 38.690 38.214 0.476 25944 4937 1 9 . 1 1 72 72 ASN H H 72 7.675 7.675 7.704 -0.029 25944 4938 1 9 . 1 1 73 73 GLN N N 73 119.800 119.800 120.683 -0.883 25944 4939 1 9 . 1 1 73 73 GLN HA H 73 4.212 4.212 4.097 0.115 25944 4940 1 9 . 1 1 73 73 GLN C C 73 178.600 178.600 177.999 0.601 25944 4941 1 9 . 1 1 73 73 GLN CA C 73 59.610 59.610 58.568 1.042 25944 4942 1 9 . 1 1 73 73 GLN CB C 73 29.460 29.460 28.246 1.214 25944 4943 1 9 . 1 1 73 73 GLN H H 73 9.111 9.111 7.330 1.781 25944 4944 1 9 . 1 1 74 74 ILE N N 74 119.200 119.200 116.269 2.931 25944 4945 1 9 . 1 1 74 74 ILE HA H 74 4.409 4.409 3.939 0.470 25944 4946 1 9 . 1 1 74 74 ILE C C 74 177.100 177.100 176.892 0.208 25944 4947 1 9 . 1 1 74 74 ILE CA C 74 63.410 63.410 63.023 0.388 25944 4948 1 9 . 1 1 74 74 ILE CB C 74 37.700 37.700 36.980 0.721 25944 4949 1 9 . 1 1 74 74 ILE H H 74 7.944 7.944 7.472 0.472 25944 4950 1 9 . 1 1 75 75 TYR N N 75 119.600 119.600 120.777 -1.177 25944 4951 1 9 . 1 1 75 75 TYR HA H 75 3.891 3.891 4.348 -0.457 25944 4952 1 9 . 1 1 75 75 TYR C C 75 176.800 176.800 176.741 0.059 25944 4953 1 9 . 1 1 75 75 TYR CA C 75 62.650 62.650 60.314 2.336 25944 4954 1 9 . 1 1 75 75 TYR CB C 75 38.950 38.950 39.459 -0.509 25944 4955 1 9 . 1 1 75 75 TYR H H 75 6.718 6.718 7.634 -0.916 25944 4956 1 9 . 1 1 76 76 ASN N N 76 115.900 115.900 118.957 -3.057 25944 4957 1 9 . 1 1 76 76 ASN HA H 76 4.385 4.385 4.308 0.077 25944 4958 1 9 . 1 1 76 76 ASN C C 76 178.600 178.600 176.724 1.876 25944 4959 1 9 . 1 1 76 76 ASN CA C 76 56.310 56.310 56.713 -0.403 25944 4960 1 9 . 1 1 76 76 ASN H H 76 8.901 8.901 7.969 0.932 25944 4961 1 9 . 1 1 77 77 SER N N 77 117.000 117.000 115.523 1.477 25944 4962 1 9 . 1 1 77 77 SER HA H 77 4.219 4.219 4.024 0.195 25944 4963 1 9 . 1 1 77 77 SER C C 77 176.800 176.800 176.597 0.203 25944 4964 1 9 . 1 1 77 77 SER CA C 77 62.600 62.600 61.605 0.995 25944 4965 1 9 . 1 1 77 77 SER H H 77 8.512 8.512 7.815 0.697 25944 4966 1 9 . 1 1 78 78 TYR N N 78 125.400 125.400 123.362 2.038 25944 4967 1 9 . 1 1 78 78 TYR HA H 78 4.379 4.379 4.365 0.014 25944 4968 1 9 . 1 1 78 78 TYR C C 78 176.600 176.600 176.992 -0.392 25944 4969 1 9 . 1 1 78 78 TYR CA C 78 59.800 59.800 61.593 -1.793 25944 4970 1 9 . 1 1 78 78 TYR CB C 78 37.200 37.200 38.390 -1.190 25944 4971 1 9 . 1 1 78 78 TYR H H 78 8.299 8.299 8.112 0.187 25944 4972 1 9 . 1 1 79 79 MET N N 79 118.400 118.400 117.485 0.915 25944 4973 1 9 . 1 1 79 79 MET HA H 79 3.421 3.421 3.850 -0.429 25944 4974 1 9 . 1 1 79 79 MET C C 79 178.400 178.400 178.275 0.125 25944 4975 1 9 . 1 1 79 79 MET CA C 79 60.400 60.400 59.399 1.001 25944 4976 1 9 . 1 1 79 79 MET CB C 79 32.750 32.750 32.383 0.367 25944 4977 1 9 . 1 1 79 79 MET H H 79 8.264 8.264 7.663 0.601 25944 4978 1 9 . 1 1 80 80 MET N N 80 117.172 117.172 116.636 0.536 25944 4979 1 9 . 1 1 80 80 MET HA H 80 4.136 4.136 4.218 -0.082 25944 4980 1 9 . 1 1 80 80 MET C C 80 179.418 179.418 178.747 0.671 25944 4981 1 9 . 1 1 80 80 MET CA C 80 58.419 58.419 57.518 0.901 25944 4982 1 9 . 1 1 80 80 MET CB C 80 32.400 32.400 31.456 0.944 25944 4983 1 9 . 1 1 80 80 MET H H 80 7.907 7.907 8.414 -0.507 25944 4984 1 9 . 1 1 81 81 HIS N N 81 121.510 121.510 119.291 2.219 25944 4985 1 9 . 1 1 81 81 HIS HA H 81 4.123 4.123 4.234 -0.111 25944 4986 1 9 . 1 1 81 81 HIS C C 81 177.339 177.339 178.119 -0.780 25944 4987 1 9 . 1 1 81 81 HIS CA C 81 60.130 60.130 59.405 0.725 25944 4988 1 9 . 1 1 81 81 HIS CB C 81 29.556 29.556 29.964 -0.408 25944 4989 1 9 . 1 1 81 81 HIS H H 81 8.115 8.115 7.747 0.368 25944 4990 1 9 . 1 1 82 82 LEU N N 82 117.015 117.015 117.098 -0.083 25944 4991 1 9 . 1 1 82 82 LEU HA H 82 3.856 3.856 4.131 -0.275 25944 4992 1 9 . 1 1 82 82 LEU C C 82 178.330 178.330 177.847 0.483 25944 4993 1 9 . 1 1 82 82 LEU CA C 82 56.000 56.000 55.870 0.130 25944 4994 1 9 . 1 1 82 82 LEU CB C 82 42.503 42.503 41.842 0.661 25944 4995 1 9 . 1 1 82 82 LEU H H 82 7.979 7.979 8.010 -0.031 25944 4996 1 9 . 1 1 83 83 GLY N N 83 106.661 106.661 107.298 -0.637 25944 4997 1 9 . 1 1 83 83 GLY C C 83 174.964 174.964 174.896 0.068 25944 4998 1 9 . 1 1 83 83 GLY CA C 83 45.799 45.799 45.631 0.168 25944 4999 1 9 . 1 1 83 83 GLY H H 83 7.755 7.755 7.742 0.013 25944 5000 1 9 . 1 1 84 84 LEU N N 84 120.273 120.273 114.900 5.373 25944 5001 1 9 . 1 1 84 84 LEU HA H 84 4.399 4.399 4.920 -0.521 25944 5002 1 9 . 1 1 84 84 LEU C C 84 177.302 177.302 176.557 0.745 25944 5003 1 9 . 1 1 84 84 LEU CA C 84 55.048 55.048 53.437 1.611 25944 5004 1 9 . 1 1 84 84 LEU CB C 84 42.662 42.662 41.650 1.012 25944 5005 1 9 . 1 1 84 84 LEU H H 84 7.568 7.568 7.606 -0.038 25944 5006 1 9 . 1 1 85 85 THR N N 85 111.602 111.602 115.377 -3.775 25944 5007 1 9 . 1 1 85 85 THR HA H 85 4.291 4.291 4.420 -0.129 25944 5008 1 9 . 1 1 85 85 THR C C 85 175.115 175.115 175.952 -0.837 25944 5009 1 9 . 1 1 85 85 THR CA C 85 62.122 62.122 63.495 -1.373 25944 5010 1 9 . 1 1 85 85 THR CB C 85 69.882 69.882 69.882 0.000 25944 5011 1 9 . 1 1 85 85 THR H H 85 8.005 8.005 7.575 0.430 25944 5012 1 9 . 1 1 86 86 GLY N N 86 110.816 110.816 112.935 -2.119 25944 5013 1 9 . 1 1 86 86 GLY C C 86 173.491 173.491 174.162 -0.671 25944 5014 1 9 . 1 1 86 86 GLY CA C 86 45.335 45.335 45.088 0.247 25944 5015 1 9 . 1 1 86 86 GLY H H 86 8.246 8.246 8.913 -0.667 25944 5016 1 9 . 1 1 87 87 TYR N N 87 119.845 119.845 120.339 -0.494 25944 5017 1 9 . 1 1 87 87 TYR HA H 87 4.505 4.505 4.531 -0.026 25944 5018 1 9 . 1 1 87 87 TYR C C 87 175.166 175.166 175.250 -0.084 25944 5019 1 9 . 1 1 87 87 TYR CA C 87 58.010 58.010 56.951 1.059 25944 5020 1 9 . 1 1 87 87 TYR CB C 87 39.058 39.058 38.431 0.627 25944 5021 1 9 . 1 1 87 87 TYR H H 87 7.935 7.935 8.361 -0.426 25944 5022 1 9 . 1 1 88 88 GLU N N 88 125.299 125.299 120.744 4.555 25944 5023 1 9 . 1 1 88 88 GLU HA H 88 4.517 4.517 4.229 0.288 25944 5024 1 9 . 1 1 88 88 GLU C C 88 174.024 174.024 174.506 -0.482 25944 5025 1 9 . 1 1 88 88 GLU CA C 88 53.851 53.851 55.734 -1.883 25944 5026 1 9 . 1 1 88 88 GLU CB C 88 30.050 30.050 29.482 0.568 25944 5027 1 9 . 1 1 88 88 GLU H H 88 8.205 8.205 8.215 -0.010 25944 5028 1 9 . 1 1 89 89 PRO HA H 89 4.302 4.302 4.525 -0.223 25944 5029 1 9 . 1 1 89 89 PRO C C 89 176.800 176.800 176.154 0.646 25944 5030 1 9 . 1 1 89 89 PRO CA C 89 63.237 63.237 63.129 0.108 25944 5031 1 9 . 1 1 89 89 PRO CB C 89 32.100 32.100 32.498 -0.398 25944 5032 1 9 . 1 1 90 90 ASN N N 90 118.411 118.411 117.455 0.956 25944 5033 1 9 . 1 1 90 90 ASN HA H 90 4.658 4.658 4.722 -0.064 25944 5034 1 9 . 1 1 90 90 ASN C C 90 175.462 175.462 175.134 0.328 25944 5035 1 9 . 1 1 90 90 ASN CA C 90 53.497 53.497 52.922 0.575 25944 5036 1 9 . 1 1 90 90 ASN CB C 90 38.809 38.809 39.428 -0.619 25944 5037 1 9 . 1 1 90 90 ASN H H 90 8.649 8.649 7.947 0.702 25944 5038 1 9 . 1 1 91 91 SER N N 91 116.049 116.049 114.950 1.099 25944 5039 1 9 . 1 1 91 91 SER HA H 91 4.396 4.396 4.441 -0.045 25944 5040 1 9 . 1 1 91 91 SER C C 91 174.844 174.844 175.370 -0.526 25944 5041 1 9 . 1 1 91 91 SER CA C 91 58.769 58.769 58.224 0.545 25944 5042 1 9 . 1 1 91 91 SER CB C 91 63.927 63.927 63.926 0.001 25944 5043 1 9 . 1 1 91 91 SER H H 91 8.255 8.255 8.529 -0.274 25944 5044 1 9 . 1 1 92 92 SER N N 92 117.736 117.736 117.322 0.414 25944 5045 1 9 . 1 1 92 92 SER HA H 92 4.414 4.414 4.468 -0.054 25944 5046 1 9 . 1 1 92 92 SER C C 92 174.749 174.749 173.886 0.863 25944 5047 1 9 . 1 1 92 92 SER CA C 92 58.651 58.651 58.438 0.213 25944 5048 1 9 . 1 1 92 92 SER CB C 92 63.952 63.952 63.466 0.486 25944 5049 1 9 . 1 1 92 92 SER H H 92 8.399 8.399 8.100 0.299 25944 5050 1 9 . 1 1 93 93 SER N N 93 117.731 117.731 116.794 0.937 25944 5051 1 9 . 1 1 93 93 SER HA H 93 4.437 4.437 4.664 -0.227 25944 5052 1 9 . 1 1 93 93 SER C C 93 174.918 174.918 172.685 2.233 25944 5053 1 9 . 1 1 93 93 SER CA C 93 58.696 58.696 57.477 1.219 25944 5054 1 9 . 1 1 93 93 SER CB C 93 63.822 63.822 64.903 -1.081 25944 5055 1 9 . 1 1 93 93 SER H H 93 8.308 8.308 8.282 0.026 25944 5056 1 9 . 1 1 94 94 VAL N N 94 121.028 121.028 118.068 2.960 25944 5057 1 9 . 1 1 94 94 VAL HA H 94 4.020 4.020 4.491 -0.471 25944 5058 1 9 . 1 1 94 94 VAL C C 94 176.301 176.301 174.716 1.585 25944 5059 1 9 . 1 1 94 94 VAL CA C 94 63.176 63.176 62.018 1.158 25944 5060 1 9 . 1 1 94 94 VAL CB C 94 32.797 32.797 34.117 -1.320 25944 5061 1 9 . 1 1 94 94 VAL H H 94 8.026 8.026 8.237 -0.211 25944 5062 1 9 . 1 1 95 95 ASP N N 95 122.997 122.997 124.605 -1.608 25944 5063 1 9 . 1 1 95 95 ASP HA H 95 4.537 4.537 4.745 -0.208 25944 5064 1 9 . 1 1 95 95 ASP C C 95 176.937 176.937 177.233 -0.296 25944 5065 1 9 . 1 1 95 95 ASP CA C 95 54.806 54.806 55.896 -1.090 25944 5066 1 9 . 1 1 95 95 ASP CB C 95 41.014 41.014 42.705 -1.691 25944 5067 1 9 . 1 1 95 95 ASP H H 95 8.274 8.274 8.915 -0.641 25944 5068 1 9 . 1 1 96 96 LYS N N 96 121.796 121.796 121.720 0.076 25944 5069 1 9 . 1 1 96 96 LYS HA H 96 4.163 4.163 4.134 0.029 25944 5070 1 9 . 1 1 96 96 LYS C C 96 177.534 177.534 178.504 -0.970 25944 5071 1 9 . 1 1 96 96 LYS CA C 96 57.500 57.500 58.715 -1.215 25944 5072 1 9 . 1 1 96 96 LYS CB C 96 32.171 32.171 31.889 0.282 25944 5073 1 9 . 1 1 96 96 LYS H H 96 8.159 8.159 8.316 -0.157 25944 5074 1 9 . 1 1 97 97 LEU N N 97 121.703 121.703 119.498 2.205 25944 5075 1 9 . 1 1 97 97 LEU HA H 97 4.216 4.216 4.117 0.099 25944 5076 1 9 . 1 1 97 97 LEU C C 97 177.892 177.892 177.932 -0.040 25944 5077 1 9 . 1 1 97 97 LEU CA C 97 56.024 56.024 56.700 -0.676 25944 5078 1 9 . 1 1 97 97 LEU CB C 97 41.755 41.755 41.822 -0.067 25944 5079 1 9 . 1 1 97 97 LEU H H 97 8.097 8.097 7.792 0.305 25944 5080 1 9 . 1 1 98 98 ALA N N 98 123.261 123.261 120.480 2.781 25944 5081 1 9 . 1 1 98 98 ALA HA H 98 4.158 4.158 4.106 0.052 25944 5082 1 9 . 1 1 98 98 ALA C C 98 178.590 178.590 177.535 1.055 25944 5083 1 9 . 1 1 98 98 ALA CA C 98 53.201 53.201 53.656 -0.454 25944 5084 1 9 . 1 1 98 98 ALA CB C 98 18.643 18.643 18.615 0.028 25944 5085 1 9 . 1 1 98 98 ALA H H 98 7.998 7.998 7.547 0.451 25944 5086 1 9 . 1 1 99 99 ALA N N 99 121.686 121.686 121.994 -0.308 25944 5087 1 9 . 1 1 99 99 ALA HA H 99 4.173 4.173 4.434 -0.261 25944 5088 1 9 . 1 1 99 99 ALA C C 99 178.303 178.303 176.503 1.800 25944 5089 1 9 . 1 1 99 99 ALA CA C 99 53.182 53.182 51.491 1.691 25944 5090 1 9 . 1 1 99 99 ALA CB C 99 18.638 18.638 20.230 -1.592 25944 5091 1 9 . 1 1 99 99 ALA H H 99 8.009 8.009 7.431 0.578 25944 5092 1 9 . 1 1 100 100 ALA N N 100 121.570 121.570 121.933 -0.363 25944 5093 1 9 . 1 1 100 100 ALA HA H 100 4.218 4.218 4.569 -0.351 25944 5094 1 9 . 1 1 100 100 ALA C C 100 178.276 178.276 177.137 1.139 25944 5095 1 9 . 1 1 100 100 ALA CA C 100 52.889 52.889 51.544 1.345 25944 5096 1 9 . 1 1 100 100 ALA CB C 100 18.756 18.756 20.963 -2.207 25944 5097 1 9 . 1 1 100 100 ALA H H 100 7.950 7.950 8.127 -0.177 25944 5098 1 9 . 1 1 101 101 LEU N N 101 120.160 120.160 122.019 -1.859 25944 5099 1 9 . 1 1 101 101 LEU HA H 101 4.223 4.223 4.089 0.134 25944 5100 1 9 . 1 1 101 101 LEU C C 101 177.673 177.673 176.925 0.748 25944 5101 1 9 . 1 1 101 101 LEU CA C 101 55.529 55.529 55.022 0.507 25944 5102 1 9 . 1 1 101 101 LEU CB C 101 42.213 42.213 40.620 1.593 25944 5103 1 9 . 1 1 101 101 LEU H H 101 7.931 7.931 8.572 -0.641 25944 5104 1 10 . 1 1 2 2 ASN N N 2 118.138 118.138 118.473 -0.335 25944 5105 1 10 . 1 1 2 2 ASN HA H 2 4.638 4.638 4.561 0.077 25944 5106 1 10 . 1 1 2 2 ASN C C 2 174.541 174.541 174.694 -0.153 25944 5107 1 10 . 1 1 2 2 ASN CA C 2 53.194 53.194 53.388 -0.194 25944 5108 1 10 . 1 1 2 2 ASN CB C 2 39.191 39.191 37.839 1.352 25944 5109 1 10 . 1 1 2 2 ASN H H 2 8.331 8.331 8.483 -0.152 25944 5110 1 10 . 1 1 3 3 PHE N N 3 121.233 121.233 119.399 1.834 25944 5111 1 10 . 1 1 3 3 PHE HA H 3 4.418 4.418 4.451 -0.033 25944 5112 1 10 . 1 1 3 3 PHE C C 3 174.939 174.939 175.529 -0.590 25944 5113 1 10 . 1 1 3 3 PHE CA C 3 57.817 57.817 57.222 0.595 25944 5114 1 10 . 1 1 3 3 PHE CB C 3 39.377 39.377 37.087 2.290 25944 5115 1 10 . 1 1 3 3 PHE H H 3 8.358 8.358 8.356 0.002 25944 5116 1 10 . 1 1 4 4 ASN N N 4 121.091 121.091 120.643 0.448 25944 5117 1 10 . 1 1 4 4 ASN HA H 4 4.614 4.614 4.897 -0.283 25944 5118 1 10 . 1 1 4 4 ASN C C 4 175.107 175.107 174.598 0.509 25944 5119 1 10 . 1 1 4 4 ASN CA C 4 52.869 52.869 53.062 -0.193 25944 5120 1 10 . 1 1 4 4 ASN CB C 4 38.853 38.853 41.342 -2.489 25944 5121 1 10 . 1 1 4 4 ASN H H 4 8.333 8.333 8.039 0.294 25944 5122 1 10 . 1 1 5 5 LEU N N 5 123.882 123.882 125.000 -1.118 25944 5123 1 10 . 1 1 5 5 LEU HA H 5 4.597 4.597 4.447 0.150 25944 5124 1 10 . 1 1 5 5 LEU C C 5 177.372 177.372 175.846 1.526 25944 5125 1 10 . 1 1 5 5 LEU CA C 5 56.030 56.030 54.872 1.158 25944 5126 1 10 . 1 1 5 5 LEU CB C 5 41.775 41.775 40.354 1.421 25944 5127 1 10 . 1 1 5 5 LEU H H 5 8.259 8.259 8.690 -0.431 25944 5128 1 10 . 1 1 6 6 ALA N N 6 122.630 122.630 125.828 -3.198 25944 5129 1 10 . 1 1 6 6 ALA HA H 6 4.213 4.213 4.583 -0.370 25944 5130 1 10 . 1 1 6 6 ALA C C 6 178.088 178.088 176.172 1.916 25944 5131 1 10 . 1 1 6 6 ALA CA C 6 53.201 53.201 51.922 1.279 25944 5132 1 10 . 1 1 6 6 ALA CB C 6 18.533 18.533 20.096 -1.562 25944 5133 1 10 . 1 1 6 6 ALA H H 6 8.132 8.132 8.131 0.001 25944 5134 1 10 . 1 1 7 7 SER N N 7 113.309 113.309 116.477 -3.168 25944 5135 1 10 . 1 1 7 7 SER HA H 7 4.333 4.333 4.739 -0.406 25944 5136 1 10 . 1 1 7 7 SER C C 7 174.347 174.347 174.412 -0.065 25944 5137 1 10 . 1 1 7 7 SER CA C 7 58.244 58.244 57.590 0.654 25944 5138 1 10 . 1 1 7 7 SER CB C 7 63.655 63.655 64.446 -0.791 25944 5139 1 10 . 1 1 7 7 SER H H 7 7.866 7.866 8.258 -0.392 25944 5140 1 10 . 1 1 8 8 LEU N N 8 123.236 123.236 118.319 4.917 25944 5141 1 10 . 1 1 8 8 LEU HA H 8 4.156 4.156 4.762 -0.606 25944 5142 1 10 . 1 1 8 8 LEU C C 8 176.617 176.617 175.854 0.763 25944 5143 1 10 . 1 1 8 8 LEU CA C 8 55.368 55.368 54.534 0.834 25944 5144 1 10 . 1 1 8 8 LEU CB C 8 42.800 42.800 42.218 0.582 25944 5145 1 10 . 1 1 8 8 LEU H H 8 7.786 7.786 8.093 -0.307 25944 5146 1 10 . 1 1 9 9 ASN N N 9 120.087 120.087 121.236 -1.149 25944 5147 1 10 . 1 1 9 9 ASN HA H 9 4.502 4.502 4.911 -0.409 25944 5148 1 10 . 1 1 9 9 ASN C C 9 175.557 175.557 174.982 0.575 25944 5149 1 10 . 1 1 9 9 ASN CA C 9 52.922 52.922 52.995 -0.073 25944 5150 1 10 . 1 1 9 9 ASN CB C 9 38.529 38.529 38.086 0.443 25944 5151 1 10 . 1 1 9 9 ASN H H 9 8.127 8.127 8.603 -0.476 25944 5152 1 10 . 1 1 10 10 GLU N N 10 121.943 121.943 118.861 3.082 25944 5153 1 10 . 1 1 10 10 GLU HA H 10 3.419 3.419 4.708 -1.289 25944 5154 1 10 . 1 1 10 10 GLU C C 10 176.176 176.176 176.228 -0.052 25944 5155 1 10 . 1 1 10 10 GLU CA C 10 58.261 58.261 56.844 1.417 25944 5156 1 10 . 1 1 10 10 GLU CB C 10 29.371 29.371 30.133 -0.762 25944 5157 1 10 . 1 1 10 10 GLU H H 10 8.479 8.479 7.874 0.605 25944 5158 1 10 . 1 1 11 11 GLU N N 11 117.932 117.932 117.587 0.345 25944 5159 1 10 . 1 1 11 11 GLU HA H 11 3.893 3.893 4.348 -0.455 25944 5160 1 10 . 1 1 11 11 GLU C C 11 178.292 178.292 175.677 2.615 25944 5161 1 10 . 1 1 11 11 GLU CA C 11 57.418 57.418 55.941 1.477 25944 5162 1 10 . 1 1 11 11 GLU CB C 11 28.967 28.967 28.358 0.609 25944 5163 1 10 . 1 1 11 11 GLU H H 11 7.876 7.876 8.108 -0.232 25944 5164 1 10 . 1 1 12 12 MET N N 12 118.969 118.969 116.768 2.201 25944 5165 1 10 . 1 1 12 12 MET HA H 12 3.810 3.810 3.993 -0.183 25944 5166 1 10 . 1 1 12 12 MET C C 12 175.419 175.419 175.129 0.290 25944 5167 1 10 . 1 1 12 12 MET CA C 12 57.481 57.481 55.614 1.867 25944 5168 1 10 . 1 1 12 12 MET CB C 12 32.160 32.160 32.560 -0.400 25944 5169 1 10 . 1 1 12 12 MET H H 12 7.524 7.524 7.581 -0.057 25944 5170 1 10 . 1 1 13 13 PHE N N 13 113.294 113.294 114.437 -1.143 25944 5171 1 10 . 1 1 13 13 PHE HA H 13 4.463 4.463 4.436 0.027 25944 5172 1 10 . 1 1 13 13 PHE C C 13 176.009 176.009 174.590 1.419 25944 5173 1 10 . 1 1 13 13 PHE CA C 13 54.932 54.932 57.542 -2.610 25944 5174 1 10 . 1 1 13 13 PHE CB C 13 37.856 37.856 39.158 -1.302 25944 5175 1 10 . 1 1 13 13 PHE H H 13 6.975 6.975 6.971 0.004 25944 5176 1 10 . 1 1 14 14 ASN N N 14 116.706 116.706 119.211 -2.505 25944 5177 1 10 . 1 1 14 14 ASN HA H 14 4.778 4.778 4.962 -0.184 25944 5178 1 10 . 1 1 14 14 ASN C C 14 176.202 176.202 176.672 -0.470 25944 5179 1 10 . 1 1 14 14 ASN CA C 14 52.333 52.333 53.623 -1.290 25944 5180 1 10 . 1 1 14 14 ASN CB C 14 36.421 36.421 37.843 -1.422 25944 5181 1 10 . 1 1 14 14 ASN H H 14 7.211 7.211 8.150 -0.939 25944 5182 1 10 . 1 1 15 15 VAL N N 15 121.352 121.352 113.874 7.478 25944 5183 1 10 . 1 1 15 15 VAL HA H 15 3.642 3.642 3.651 -0.009 25944 5184 1 10 . 1 1 15 15 VAL C C 15 177.523 177.523 175.663 1.860 25944 5185 1 10 . 1 1 15 15 VAL CA C 15 63.407 63.407 64.431 -1.024 25944 5186 1 10 . 1 1 15 15 VAL CB C 15 31.120 31.120 30.993 0.127 25944 5187 1 10 . 1 1 15 15 VAL H H 15 7.971 7.971 8.869 -0.898 25944 5188 1 10 . 1 1 16 16 ALA N N 16 124.345 124.345 120.478 3.867 25944 5189 1 10 . 1 1 16 16 ALA HA H 16 4.170 4.170 4.260 -0.090 25944 5190 1 10 . 1 1 16 16 ALA C C 16 178.288 178.288 177.577 0.711 25944 5191 1 10 . 1 1 16 16 ALA CA C 16 54.170 54.170 53.084 1.086 25944 5192 1 10 . 1 1 16 16 ALA CB C 16 17.945 17.945 19.174 -1.229 25944 5193 1 10 . 1 1 16 16 ALA H H 16 8.414 8.414 7.928 0.486 25944 5194 1 10 . 1 1 17 17 ALA N N 17 116.960 116.960 120.466 -3.506 25944 5195 1 10 . 1 1 17 17 ALA HA H 17 4.309 4.309 4.625 -0.316 25944 5196 1 10 . 1 1 17 17 ALA C C 17 177.660 177.660 177.277 0.383 25944 5197 1 10 . 1 1 17 17 ALA CA C 17 51.666 51.666 51.898 -0.232 25944 5198 1 10 . 1 1 17 17 ALA CB C 17 19.331 19.331 20.550 -1.219 25944 5199 1 10 . 1 1 17 17 ALA H H 17 7.099 7.099 8.063 -0.964 25944 5200 1 10 . 1 1 18 18 LEU N N 18 119.640 119.640 119.254 0.386 25944 5201 1 10 . 1 1 18 18 LEU HA H 18 4.479 4.479 4.666 -0.187 25944 5202 1 10 . 1 1 18 18 LEU C C 18 176.424 176.424 175.586 0.838 25944 5203 1 10 . 1 1 18 18 LEU CA C 18 54.960 54.960 55.188 -0.228 25944 5204 1 10 . 1 1 18 18 LEU CB C 18 42.000 42.000 42.822 -0.822 25944 5205 1 10 . 1 1 18 18 LEU H H 18 7.256 7.256 7.890 -0.634 25944 5206 1 10 . 1 1 19 19 THR N N 19 110.240 110.240 115.811 -5.571 25944 5207 1 10 . 1 1 19 19 THR HA H 19 4.389 4.389 4.592 -0.203 25944 5208 1 10 . 1 1 19 19 THR C C 19 174.905 174.905 174.038 0.867 25944 5209 1 10 . 1 1 19 19 THR CA C 19 61.970 61.970 61.572 0.398 25944 5210 1 10 . 1 1 19 19 THR CB C 19 70.500 70.500 70.014 0.486 25944 5211 1 10 . 1 1 19 19 THR H H 19 8.319 8.319 8.313 0.006 25944 5212 1 10 . 1 1 20 20 LYS N N 20 121.645 121.645 124.361 -2.716 25944 5213 1 10 . 1 1 20 20 LYS HA H 20 4.724 4.724 4.406 0.318 25944 5214 1 10 . 1 1 20 20 LYS C C 20 177.100 177.100 175.618 1.482 25944 5215 1 10 . 1 1 20 20 LYS CA C 20 54.890 54.890 56.201 -1.311 25944 5216 1 10 . 1 1 20 20 LYS CB C 20 33.700 33.700 34.048 -0.348 25944 5217 1 10 . 1 1 20 20 LYS H H 20 7.854 7.854 8.174 -0.320 25944 5218 1 10 . 1 1 21 21 ARG N N 21 126.200 126.200 120.850 5.350 25944 5219 1 10 . 1 1 21 21 ARG HA H 21 3.831 3.831 4.176 -0.345 25944 5220 1 10 . 1 1 21 21 ARG C C 21 178.431 178.431 178.296 0.135 25944 5221 1 10 . 1 1 21 21 ARG CA C 21 60.280 60.280 58.471 1.809 25944 5222 1 10 . 1 1 21 21 ARG CB C 21 30.600 30.600 30.394 0.206 25944 5223 1 10 . 1 1 21 21 ARG H H 21 9.171 9.171 8.579 0.592 25944 5224 1 10 . 1 1 22 22 ALA N N 22 118.555 118.555 122.595 -4.040 25944 5225 1 10 . 1 1 22 22 ALA HA H 22 4.053 4.053 4.178 -0.125 25944 5226 1 10 . 1 1 22 22 ALA C C 22 180.573 180.573 178.750 1.823 25944 5227 1 10 . 1 1 22 22 ALA CA C 22 55.480 55.480 54.911 0.569 25944 5228 1 10 . 1 1 22 22 ALA CB C 22 18.700 18.700 18.170 0.530 25944 5229 1 10 . 1 1 22 22 ALA H H 22 8.982 8.982 8.380 0.602 25944 5230 1 10 . 1 1 23 23 ASP N N 23 116.363 116.363 119.532 -3.169 25944 5231 1 10 . 1 1 23 23 ASP HA H 23 4.455 4.455 4.440 0.015 25944 5232 1 10 . 1 1 23 23 ASP C C 23 178.418 178.418 178.384 0.034 25944 5233 1 10 . 1 1 23 23 ASP CA C 23 56.697 56.697 57.002 -0.305 25944 5234 1 10 . 1 1 23 23 ASP CB C 23 41.260 41.260 40.654 0.605 25944 5235 1 10 . 1 1 23 23 ASP H H 23 6.880 6.880 8.714 -1.834 25944 5236 1 10 . 1 1 24 24 ALA N N 24 124.072 124.072 121.091 2.981 25944 5237 1 10 . 1 1 24 24 ALA HA H 24 4.307 4.307 4.424 -0.117 25944 5238 1 10 . 1 1 24 24 ALA C C 24 178.301 178.301 179.257 -0.956 25944 5239 1 10 . 1 1 24 24 ALA CA C 24 55.376 55.376 54.837 0.539 25944 5240 1 10 . 1 1 24 24 ALA CB C 24 17.900 17.900 18.481 -0.581 25944 5241 1 10 . 1 1 24 24 ALA H H 24 7.882 7.882 8.201 -0.319 25944 5242 1 10 . 1 1 25 25 LYS N N 25 118.064 118.064 119.309 -1.245 25944 5243 1 10 . 1 1 25 25 LYS HA H 25 3.748 3.748 3.930 -0.182 25944 5244 1 10 . 1 1 25 25 LYS C C 25 177.149 177.149 178.147 -0.998 25944 5245 1 10 . 1 1 25 25 LYS CA C 25 60.613 60.613 58.924 1.689 25944 5246 1 10 . 1 1 25 25 LYS CB C 25 32.433 32.433 31.596 0.837 25944 5247 1 10 . 1 1 25 25 LYS H H 25 8.799 8.799 8.185 0.614 25944 5248 1 10 . 1 1 26 26 LYS N N 26 116.995 116.995 119.165 -2.170 25944 5249 1 10 . 1 1 26 26 LYS HA H 26 3.919 3.919 4.139 -0.220 25944 5250 1 10 . 1 1 26 26 LYS C C 26 179.262 179.262 178.525 0.737 25944 5251 1 10 . 1 1 26 26 LYS CA C 26 59.980 59.980 59.151 0.829 25944 5252 1 10 . 1 1 26 26 LYS CB C 26 32.370 32.370 32.325 0.045 25944 5253 1 10 . 1 1 26 26 LYS H H 26 7.507 7.507 7.977 -0.470 25944 5254 1 10 . 1 1 27 27 LEU N N 27 118.319 118.319 119.866 -1.547 25944 5255 1 10 . 1 1 27 27 LEU HA H 27 4.387 4.387 4.163 0.224 25944 5256 1 10 . 1 1 27 27 LEU C C 27 178.187 178.187 179.012 -0.825 25944 5257 1 10 . 1 1 27 27 LEU CA C 27 57.928 57.928 57.775 0.153 25944 5258 1 10 . 1 1 27 27 LEU CB C 27 40.941 40.941 42.245 -1.304 25944 5259 1 10 . 1 1 27 27 LEU H H 27 7.359 7.359 7.382 -0.023 25944 5260 1 10 . 1 1 28 28 ALA N N 28 121.257 121.257 120.155 1.102 25944 5261 1 10 . 1 1 28 28 ALA HA H 28 3.677 3.677 4.341 -0.664 25944 5262 1 10 . 1 1 28 28 ALA C C 28 179.000 179.000 178.822 0.178 25944 5263 1 10 . 1 1 28 28 ALA CA C 28 56.364 56.364 54.748 1.616 25944 5264 1 10 . 1 1 28 28 ALA CB C 28 16.138 16.138 17.849 -1.711 25944 5265 1 10 . 1 1 28 28 ALA H H 28 8.571 8.571 7.979 0.592 25944 5266 1 10 . 1 1 29 29 LYS N N 29 114.495 114.495 119.769 -5.274 25944 5267 1 10 . 1 1 29 29 LYS HA H 29 3.834 3.834 3.915 -0.081 25944 5268 1 10 . 1 1 29 29 LYS C C 29 180.597 180.597 178.568 2.029 25944 5269 1 10 . 1 1 29 29 LYS CA C 29 60.073 60.073 59.609 0.464 25944 5270 1 10 . 1 1 29 29 LYS CB C 29 32.334 32.334 32.276 0.058 25944 5271 1 10 . 1 1 29 29 LYS H H 29 8.312 8.312 7.733 0.579 25944 5272 1 10 . 1 1 30 30 GLN N N 30 119.983 119.983 117.086 2.897 25944 5273 1 10 . 1 1 30 30 GLN HA H 30 4.120 4.120 4.196 -0.076 25944 5274 1 10 . 1 1 30 30 GLN C C 30 179.114 179.114 178.580 0.534 25944 5275 1 10 . 1 1 30 30 GLN CA C 30 59.063 59.063 58.584 0.478 25944 5276 1 10 . 1 1 30 30 GLN CB C 30 29.010 29.010 28.235 0.775 25944 5277 1 10 . 1 1 30 30 GLN H H 30 7.793 7.793 7.651 0.142 25944 5278 1 10 . 1 1 31 31 LEU N N 31 117.633 117.633 120.100 -2.467 25944 5279 1 10 . 1 1 31 31 LEU HA H 31 3.927 3.927 4.263 -0.336 25944 5280 1 10 . 1 1 31 31 LEU C C 31 178.747 178.747 178.326 0.421 25944 5281 1 10 . 1 1 31 31 LEU CA C 31 57.608 57.608 57.158 0.450 25944 5282 1 10 . 1 1 31 31 LEU CB C 31 41.099 41.099 42.265 -1.166 25944 5283 1 10 . 1 1 31 31 LEU H H 31 8.348 8.348 7.305 1.043 25944 5284 1 10 . 1 1 32 32 MET N N 32 115.087 115.087 114.675 0.412 25944 5285 1 10 . 1 1 32 32 MET HA H 32 4.291 4.291 4.565 -0.274 25944 5286 1 10 . 1 1 32 32 MET C C 32 178.337 178.337 177.990 0.347 25944 5287 1 10 . 1 1 32 32 MET CA C 32 56.190 56.190 57.262 -1.072 25944 5288 1 10 . 1 1 32 32 MET CB C 32 33.237 33.237 33.314 -0.077 25944 5289 1 10 . 1 1 32 32 MET H H 32 8.083 8.083 8.124 -0.041 25944 5290 1 10 . 1 1 33 33 GLY N N 33 102.979 102.979 108.038 -5.059 25944 5291 1 10 . 1 1 33 33 GLY C C 33 173.716 173.716 174.415 -0.699 25944 5292 1 10 . 1 1 33 33 GLY CA C 33 45.341 45.341 45.148 0.193 25944 5293 1 10 . 1 1 33 33 GLY H H 33 7.514 7.514 7.917 -0.403 25944 5294 1 10 . 1 1 34 34 ASN N N 34 117.931 117.931 120.618 -2.687 25944 5295 1 10 . 1 1 34 34 ASN HA H 34 4.911 4.911 4.961 -0.050 25944 5296 1 10 . 1 1 34 34 ASN C C 34 173.721 173.721 174.952 -1.231 25944 5297 1 10 . 1 1 34 34 ASN CA C 34 52.465 52.465 52.777 -0.312 25944 5298 1 10 . 1 1 34 34 ASN CB C 34 39.303 39.303 39.714 -0.411 25944 5299 1 10 . 1 1 34 34 ASN H H 34 7.176 7.176 8.180 -1.004 25944 5300 1 10 . 1 1 35 35 ASP N N 35 125.367 125.367 124.957 0.410 25944 5301 1 10 . 1 1 35 35 ASP HA H 35 4.396 4.396 4.462 -0.066 25944 5302 1 10 . 1 1 35 35 ASP C C 35 177.810 177.810 177.593 0.217 25944 5303 1 10 . 1 1 35 35 ASP CA C 35 57.193 57.193 56.908 0.285 25944 5304 1 10 . 1 1 35 35 ASP CB C 35 40.007 40.007 41.098 -1.091 25944 5305 1 10 . 1 1 35 35 ASP H H 35 8.857 8.857 8.958 -0.101 25944 5306 1 10 . 1 1 36 36 LYS N N 36 119.269 119.269 120.454 -1.185 25944 5307 1 10 . 1 1 36 36 LYS HA H 36 4.146 4.146 4.154 -0.008 25944 5308 1 10 . 1 1 36 36 LYS C C 36 179.704 179.704 178.209 1.495 25944 5309 1 10 . 1 1 36 36 LYS CA C 36 58.391 58.391 58.866 -0.475 25944 5310 1 10 . 1 1 36 36 LYS CB C 36 31.904 31.904 31.983 -0.079 25944 5311 1 10 . 1 1 36 36 LYS H H 36 7.972 7.972 8.091 -0.119 25944 5312 1 10 . 1 1 37 37 LEU N N 37 122.961 122.961 119.477 3.484 25944 5313 1 10 . 1 1 37 37 LEU HA H 37 3.938 3.938 4.279 -0.341 25944 5314 1 10 . 1 1 37 37 LEU C C 37 177.699 177.699 178.455 -0.756 25944 5315 1 10 . 1 1 37 37 LEU CA C 37 56.863 56.863 57.086 -0.223 25944 5316 1 10 . 1 1 37 37 LEU CB C 37 42.072 42.072 41.776 0.296 25944 5317 1 10 . 1 1 37 37 LEU H H 37 7.370 7.370 7.778 -0.408 25944 5318 1 10 . 1 1 38 38 ALA N N 38 120.603 120.603 121.227 -0.624 25944 5319 1 10 . 1 1 38 38 ALA HA H 38 3.270 3.270 3.890 -0.620 25944 5320 1 10 . 1 1 38 38 ALA C C 38 176.450 176.450 179.581 -3.131 25944 5321 1 10 . 1 1 38 38 ALA CA C 38 55.268 55.268 55.170 0.098 25944 5322 1 10 . 1 1 38 38 ALA CB C 38 16.619 16.619 17.839 -1.220 25944 5323 1 10 . 1 1 38 38 ALA H H 38 7.918 7.918 7.980 -0.062 25944 5324 1 10 . 1 1 39 39 ASP N N 39 113.981 113.981 119.353 -5.372 25944 5325 1 10 . 1 1 39 39 ASP HA H 39 4.082 4.082 4.508 -0.426 25944 5326 1 10 . 1 1 39 39 ASP C C 39 178.258 178.258 178.063 0.195 25944 5327 1 10 . 1 1 39 39 ASP CA C 39 57.308 57.308 58.114 -0.805 25944 5328 1 10 . 1 1 39 39 ASP CB C 39 40.859 40.859 40.764 0.095 25944 5329 1 10 . 1 1 39 39 ASP H H 39 7.594 7.594 7.957 -0.363 25944 5330 1 10 . 1 1 40 40 ALA N N 40 119.475 119.475 120.662 -1.187 25944 5331 1 10 . 1 1 40 40 ALA HA H 40 3.831 3.831 4.337 -0.506 25944 5332 1 10 . 1 1 40 40 ALA C C 40 179.459 179.459 178.878 0.581 25944 5333 1 10 . 1 1 40 40 ALA CA C 40 54.590 54.590 54.025 0.565 25944 5334 1 10 . 1 1 40 40 ALA CB C 40 17.241 17.241 18.603 -1.362 25944 5335 1 10 . 1 1 40 40 ALA H H 40 6.934 6.934 7.633 -0.699 25944 5336 1 10 . 1 1 41 41 ALA N N 41 124.918 124.918 123.298 1.620 25944 5337 1 10 . 1 1 41 41 ALA HA H 41 1.920 1.920 3.031 -1.111 25944 5338 1 10 . 1 1 41 41 ALA C C 41 177.309 177.309 177.992 -0.683 25944 5339 1 10 . 1 1 41 41 ALA CA C 41 54.473 54.473 54.269 0.204 25944 5340 1 10 . 1 1 41 41 ALA CB C 41 16.412 16.412 18.147 -1.735 25944 5341 1 10 . 1 1 41 41 ALA H H 41 7.384 7.384 7.746 -0.362 25944 5342 1 10 . 1 1 42 42 TYR N N 42 115.340 115.340 117.446 -2.106 25944 5343 1 10 . 1 1 42 42 TYR HA H 42 4.164 4.164 4.478 -0.314 25944 5344 1 10 . 1 1 42 42 TYR C C 42 179.228 179.228 177.658 1.570 25944 5345 1 10 . 1 1 42 42 TYR CA C 42 58.300 58.300 60.926 -2.626 25944 5346 1 10 . 1 1 42 42 TYR CB C 42 35.365 35.365 37.907 -2.542 25944 5347 1 10 . 1 1 42 42 TYR H H 42 7.639 7.639 8.347 -0.708 25944 5348 1 10 . 1 1 43 43 ILE N N 43 117.754 117.754 118.447 -0.693 25944 5349 1 10 . 1 1 43 43 ILE HA H 43 3.839 3.839 3.401 0.438 25944 5350 1 10 . 1 1 43 43 ILE C C 43 178.090 178.090 177.141 0.949 25944 5351 1 10 . 1 1 43 43 ILE CA C 43 64.721 64.721 62.474 2.247 25944 5352 1 10 . 1 1 43 43 ILE CB C 43 39.511 39.511 37.782 1.729 25944 5353 1 10 . 1 1 43 43 ILE H H 43 7.321 7.321 7.041 0.280 25944 5354 1 10 . 1 1 44 44 TRP N N 44 124.439 124.439 122.624 1.815 25944 5355 1 10 . 1 1 44 44 TRP HA H 44 4.049 4.049 4.200 -0.151 25944 5356 1 10 . 1 1 44 44 TRP C C 44 181.073 181.073 177.705 3.368 25944 5357 1 10 . 1 1 44 44 TRP CA C 44 63.008 63.008 61.021 1.987 25944 5358 1 10 . 1 1 44 44 TRP CB C 44 30.286 30.286 29.296 0.990 25944 5359 1 10 . 1 1 44 44 TRP H H 44 8.016 8.016 7.054 0.962 25944 5360 1 10 . 1 1 45 45 TRP N N 45 121.640 121.640 118.263 3.377 25944 5361 1 10 . 1 1 45 45 TRP HA H 45 4.537 4.537 4.561 -0.024 25944 5362 1 10 . 1 1 45 45 TRP C C 45 178.515 178.515 179.287 -0.772 25944 5363 1 10 . 1 1 45 45 TRP CA C 45 58.862 58.862 59.856 -0.994 25944 5364 1 10 . 1 1 45 45 TRP CB C 45 28.572 28.572 28.472 0.100 25944 5365 1 10 . 1 1 45 45 TRP H H 45 10.044 10.044 7.884 2.160 25944 5366 1 10 . 1 1 46 46 GLN N N 46 120.394 120.394 118.425 1.969 25944 5367 1 10 . 1 1 46 46 GLN HA H 46 4.276 4.276 3.965 0.311 25944 5368 1 10 . 1 1 46 46 GLN C C 46 180.992 180.992 178.387 2.605 25944 5369 1 10 . 1 1 46 46 GLN CA C 46 59.809 59.809 58.911 0.898 25944 5370 1 10 . 1 1 46 46 GLN CB C 46 26.732 26.732 28.066 -1.334 25944 5371 1 10 . 1 1 46 46 GLN H H 46 8.652 8.652 8.301 0.351 25944 5372 1 10 . 1 1 47 47 HIS N N 47 118.999 118.999 118.171 0.828 25944 5373 1 10 . 1 1 47 47 HIS HA H 47 4.304 4.304 4.202 0.102 25944 5374 1 10 . 1 1 47 47 HIS C C 47 175.745 175.745 175.621 0.124 25944 5375 1 10 . 1 1 47 47 HIS CA C 47 53.405 53.405 58.362 -4.957 25944 5376 1 10 . 1 1 47 47 HIS CB C 47 28.839 28.839 29.774 -0.935 25944 5377 1 10 . 1 1 47 47 HIS H H 47 8.640 8.640 7.828 0.812 25944 5378 1 10 . 1 1 48 48 ASN N N 48 115.577 115.577 115.105 0.472 25944 5379 1 10 . 1 1 48 48 ASN HA H 48 4.387 4.387 4.562 -0.175 25944 5380 1 10 . 1 1 48 48 ASN C C 48 172.379 172.379 174.271 -1.892 25944 5381 1 10 . 1 1 48 48 ASN CA C 48 53.783 53.783 52.451 1.332 25944 5382 1 10 . 1 1 48 48 ASN CB C 48 38.582 38.582 37.842 0.741 25944 5383 1 10 . 1 1 48 48 ASN H H 48 7.851 7.851 7.615 0.236 25944 5384 1 10 . 1 1 49 49 ARG N N 49 114.746 114.746 116.251 -1.505 25944 5385 1 10 . 1 1 49 49 ARG HA H 49 3.837 3.837 4.012 -0.175 25944 5386 1 10 . 1 1 49 49 ARG C C 49 175.105 175.105 175.309 -0.204 25944 5387 1 10 . 1 1 49 49 ARG CA C 49 57.252 57.252 56.803 0.449 25944 5388 1 10 . 1 1 49 49 ARG CB C 49 26.100 26.100 27.266 -1.166 25944 5389 1 10 . 1 1 49 49 ARG H H 49 7.790 7.790 7.827 -0.037 25944 5390 1 10 . 1 1 50 50 VAL N N 50 120.612 120.612 118.422 2.190 25944 5391 1 10 . 1 1 50 50 VAL HA H 50 4.169 4.169 4.024 0.145 25944 5392 1 10 . 1 1 50 50 VAL C C 50 178.261 178.261 176.016 2.245 25944 5393 1 10 . 1 1 50 50 VAL CA C 50 63.272 63.272 62.818 0.454 25944 5394 1 10 . 1 1 50 50 VAL CB C 50 31.060 31.060 33.701 -2.641 25944 5395 1 10 . 1 1 50 50 VAL H H 50 8.556 8.556 7.582 0.974 25944 5396 1 10 . 1 1 51 51 THR N N 51 122.788 122.788 120.252 2.536 25944 5397 1 10 . 1 1 51 51 THR HA H 51 4.761 4.761 4.588 0.173 25944 5398 1 10 . 1 1 51 51 THR C C 51 176.097 176.097 175.598 0.499 25944 5399 1 10 . 1 1 51 51 THR CA C 51 60.823 60.823 59.912 0.911 25944 5400 1 10 . 1 1 51 51 THR CB C 51 71.497 71.497 70.627 0.869 25944 5401 1 10 . 1 1 51 51 THR H H 51 8.706 8.706 8.128 0.578 25944 5402 1 10 . 1 1 52 52 LEU N N 52 120.755 120.755 127.783 -7.028 25944 5403 1 10 . 1 1 52 52 LEU HA H 52 3.996 3.996 4.060 -0.064 25944 5404 1 10 . 1 1 52 52 LEU C C 52 179.154 179.154 178.196 0.958 25944 5405 1 10 . 1 1 52 52 LEU CA C 52 58.472 58.472 57.805 0.667 25944 5406 1 10 . 1 1 52 52 LEU CB C 52 40.238 40.238 41.603 -1.365 25944 5407 1 10 . 1 1 52 52 LEU H H 52 8.990 8.990 8.934 0.056 25944 5408 1 10 . 1 1 53 53 ASP N N 53 117.391 117.391 116.926 0.465 25944 5409 1 10 . 1 1 53 53 ASP HA H 53 4.547 4.547 4.239 0.308 25944 5410 1 10 . 1 1 53 53 ASP C C 53 178.795 178.795 177.859 0.936 25944 5411 1 10 . 1 1 53 53 ASP CA C 53 57.267 57.267 57.135 0.132 25944 5412 1 10 . 1 1 53 53 ASP CB C 53 40.462 40.462 40.444 0.018 25944 5413 1 10 . 1 1 53 53 ASP H H 53 8.204 8.204 7.947 0.257 25944 5414 1 10 . 1 1 54 54 GLN N N 54 119.886 119.886 118.854 1.032 25944 5415 1 10 . 1 1 54 54 GLN C C 54 179.913 179.913 178.111 1.802 25944 5416 1 10 . 1 1 54 54 GLN CA C 54 59.022 59.022 58.103 0.919 25944 5417 1 10 . 1 1 54 54 GLN CB C 54 29.100 29.100 28.663 0.437 25944 5418 1 10 . 1 1 54 54 GLN H H 54 7.761 7.761 7.740 0.021 25944 5419 1 10 . 1 1 55 55 ILE N N 55 121.501 121.501 120.669 0.832 25944 5420 1 10 . 1 1 55 55 ILE C C 55 177.425 177.425 178.063 -0.638 25944 5421 1 10 . 1 1 55 55 ILE CA C 55 61.603 61.603 64.294 -2.691 25944 5422 1 10 . 1 1 55 55 ILE CB C 55 33.900 33.900 36.472 -2.572 25944 5423 1 10 . 1 1 55 55 ILE H H 55 7.864 7.864 7.519 0.345 25944 5424 1 10 . 1 1 56 56 ASP N N 56 122.017 122.017 118.408 3.609 25944 5425 1 10 . 1 1 56 56 ASP HA H 56 4.337 4.337 3.338 0.999 25944 5426 1 10 . 1 1 56 56 ASP C C 56 177.692 177.692 178.215 -0.523 25944 5427 1 10 . 1 1 56 56 ASP CA C 56 58.337 58.337 56.724 1.613 25944 5428 1 10 . 1 1 56 56 ASP CB C 56 42.299 42.299 40.332 1.967 25944 5429 1 10 . 1 1 56 56 ASP H H 56 8.840 8.840 8.240 0.600 25944 5430 1 10 . 1 1 57 57 THR N N 57 114.652 114.652 114.640 0.012 25944 5431 1 10 . 1 1 57 57 THR HA H 57 4.239 4.239 4.096 0.143 25944 5432 1 10 . 1 1 57 57 THR C C 57 176.138 176.138 175.506 0.632 25944 5433 1 10 . 1 1 57 57 THR CA C 57 67.433 67.433 64.384 3.049 25944 5434 1 10 . 1 1 57 57 THR CB C 57 68.636 68.636 69.288 -0.652 25944 5435 1 10 . 1 1 57 57 THR H H 57 8.148 8.148 7.456 0.692 25944 5436 1 10 . 1 1 58 58 PHE N N 58 124.453 124.453 123.318 1.135 25944 5437 1 10 . 1 1 58 58 PHE HA H 58 4.598 4.598 4.268 0.330 25944 5438 1 10 . 1 1 58 58 PHE C C 58 176.122 176.122 175.890 0.232 25944 5439 1 10 . 1 1 58 58 PHE CA C 58 59.150 59.150 60.582 -1.432 25944 5440 1 10 . 1 1 58 58 PHE CB C 58 38.571 38.571 38.938 -0.367 25944 5441 1 10 . 1 1 58 58 PHE H H 58 7.650 7.650 7.686 -0.036 25944 5442 1 10 . 1 1 59 59 LEU N N 59 120.652 120.652 119.416 1.236 25944 5443 1 10 . 1 1 59 59 LEU HA H 59 3.423 3.423 3.226 0.197 25944 5444 1 10 . 1 1 59 59 LEU C C 59 179.603 179.603 178.984 0.619 25944 5445 1 10 . 1 1 59 59 LEU CA C 59 57.710 57.710 58.121 -0.411 25944 5446 1 10 . 1 1 59 59 LEU CB C 59 39.800 39.800 41.504 -1.704 25944 5447 1 10 . 1 1 59 59 LEU H H 59 8.543 8.543 8.264 0.279 25944 5448 1 10 . 1 1 60 60 LYS N N 60 119.870 119.870 118.792 1.078 25944 5449 1 10 . 1 1 60 60 LYS HA H 60 3.563 3.563 3.709 -0.146 25944 5450 1 10 . 1 1 60 60 LYS C C 60 178.258 178.258 178.013 0.245 25944 5451 1 10 . 1 1 60 60 LYS CA C 60 59.797 59.797 59.258 0.539 25944 5452 1 10 . 1 1 60 60 LYS CB C 60 32.464 32.464 32.026 0.438 25944 5453 1 10 . 1 1 60 60 LYS H H 60 8.105 8.105 7.350 0.755 25944 5454 1 10 . 1 1 61 61 LEU N N 61 120.600 120.600 116.045 4.555 25944 5455 1 10 . 1 1 61 61 LEU HA H 61 4.117 4.117 3.991 0.126 25944 5456 1 10 . 1 1 61 61 LEU C C 61 178.029 178.029 177.297 0.732 25944 5457 1 10 . 1 1 61 61 LEU CA C 61 56.880 56.880 57.226 -0.346 25944 5458 1 10 . 1 1 61 61 LEU CB C 61 42.059 42.059 41.364 0.695 25944 5459 1 10 . 1 1 61 61 LEU H H 61 7.496 7.496 7.375 0.121 25944 5460 1 10 . 1 1 62 62 ALA N N 62 118.900 118.900 119.168 -0.268 25944 5461 1 10 . 1 1 62 62 ALA HA H 62 3.901 3.901 4.063 -0.162 25944 5462 1 10 . 1 1 62 62 ALA C C 62 178.505 178.505 178.030 0.475 25944 5463 1 10 . 1 1 62 62 ALA CA C 62 54.603 54.603 53.870 0.733 25944 5464 1 10 . 1 1 62 62 ALA CB C 62 19.400 19.400 18.808 0.592 25944 5465 1 10 . 1 1 62 62 ALA H H 62 7.827 7.827 7.512 0.315 25944 5466 1 10 . 1 1 63 63 SER N N 63 111.351 111.351 114.275 -2.924 25944 5467 1 10 . 1 1 63 63 SER HA H 63 3.390 3.390 4.358 -0.968 25944 5468 1 10 . 1 1 63 63 SER C C 63 170.257 170.257 174.661 -4.404 25944 5469 1 10 . 1 1 63 63 SER CA C 63 59.687 59.687 58.373 1.314 25944 5470 1 10 . 1 1 63 63 SER CB C 63 62.300 62.300 64.843 -2.543 25944 5471 1 10 . 1 1 63 63 SER H H 63 7.839 7.839 7.734 0.105 25944 5472 1 10 . 1 1 67 67 GLN N N 67 122.300 122.300 118.778 3.522 25944 5473 1 10 . 1 1 67 67 GLN HA H 67 4.009 4.009 4.003 0.006 25944 5474 1 10 . 1 1 67 67 GLN C C 67 176.000 176.000 175.749 0.251 25944 5475 1 10 . 1 1 67 67 GLN CA C 67 56.950 56.950 56.774 0.176 25944 5476 1 10 . 1 1 67 67 GLN CB C 67 26.500 26.500 27.966 -1.466 25944 5477 1 10 . 1 1 67 67 GLN H H 67 8.201 8.201 8.236 -0.035 25944 5478 1 10 . 1 1 68 68 GLY N N 68 105.200 105.200 104.397 0.803 25944 5479 1 10 . 1 1 68 68 GLY C C 68 174.914 174.914 174.665 0.249 25944 5480 1 10 . 1 1 68 68 GLY CA C 68 45.622 45.622 45.120 0.502 25944 5481 1 10 . 1 1 68 68 GLY H H 68 8.512 8.512 8.206 0.306 25944 5482 1 10 . 1 1 69 69 ALA N N 69 125.585 125.585 126.396 -0.811 25944 5483 1 10 . 1 1 69 69 ALA HA H 69 4.020 4.020 4.115 -0.095 25944 5484 1 10 . 1 1 69 69 ALA C C 69 180.176 180.176 178.924 1.252 25944 5485 1 10 . 1 1 69 69 ALA CA C 69 55.000 55.000 54.467 0.534 25944 5486 1 10 . 1 1 69 69 ALA CB C 69 18.200 18.200 19.052 -0.852 25944 5487 1 10 . 1 1 69 69 ALA H H 69 8.046 8.046 8.562 -0.516 25944 5488 1 10 . 1 1 70 70 LYS N N 70 116.500 116.500 118.695 -2.195 25944 5489 1 10 . 1 1 70 70 LYS HA H 70 3.923 3.923 3.983 -0.060 25944 5490 1 10 . 1 1 70 70 LYS C C 70 176.800 176.800 177.432 -0.632 25944 5491 1 10 . 1 1 70 70 LYS CA C 70 58.530 58.530 58.478 0.052 25944 5492 1 10 . 1 1 70 70 LYS H H 70 7.928 7.928 8.690 -0.762 25944 5493 1 10 . 1 1 71 71 TYR N N 71 116.400 116.400 121.665 -5.265 25944 5494 1 10 . 1 1 71 71 TYR HA H 71 5.173 5.173 4.316 0.857 25944 5495 1 10 . 1 1 71 71 TYR C C 71 175.800 175.800 176.607 -0.807 25944 5496 1 10 . 1 1 71 71 TYR CA C 71 55.810 55.810 59.859 -4.049 25944 5497 1 10 . 1 1 71 71 TYR CB C 71 40.500 40.500 37.660 2.840 25944 5498 1 10 . 1 1 71 71 TYR H H 71 7.465 7.465 7.890 -0.425 25944 5499 1 10 . 1 1 72 72 ASN N N 72 120.200 120.200 115.611 4.589 25944 5500 1 10 . 1 1 72 72 ASN HA H 72 4.421 4.421 4.128 0.293 25944 5501 1 10 . 1 1 72 72 ASN C C 72 176.000 176.000 176.998 -0.998 25944 5502 1 10 . 1 1 72 72 ASN CA C 72 56.600 56.600 54.243 2.357 25944 5503 1 10 . 1 1 72 72 ASN CB C 72 38.690 38.690 38.088 0.602 25944 5504 1 10 . 1 1 72 72 ASN H H 72 7.675 7.675 7.718 -0.043 25944 5505 1 10 . 1 1 73 73 GLN N N 73 119.800 119.800 120.475 -0.675 25944 5506 1 10 . 1 1 73 73 GLN HA H 73 4.212 4.212 4.101 0.111 25944 5507 1 10 . 1 1 73 73 GLN C C 73 178.600 178.600 178.045 0.555 25944 5508 1 10 . 1 1 73 73 GLN CA C 73 59.610 59.610 59.089 0.521 25944 5509 1 10 . 1 1 73 73 GLN CB C 73 29.460 29.460 28.898 0.562 25944 5510 1 10 . 1 1 73 73 GLN H H 73 9.111 9.111 7.560 1.551 25944 5511 1 10 . 1 1 74 74 ILE N N 74 119.200 119.200 115.718 3.482 25944 5512 1 10 . 1 1 74 74 ILE HA H 74 4.409 4.409 3.866 0.543 25944 5513 1 10 . 1 1 74 74 ILE C C 74 177.100 177.100 176.240 0.860 25944 5514 1 10 . 1 1 74 74 ILE CA C 74 63.410 63.410 62.772 0.638 25944 5515 1 10 . 1 1 74 74 ILE CB C 74 37.700 37.700 37.066 0.634 25944 5516 1 10 . 1 1 74 74 ILE H H 74 7.944 7.944 7.457 0.487 25944 5517 1 10 . 1 1 75 75 TYR N N 75 119.600 119.600 119.880 -0.280 25944 5518 1 10 . 1 1 75 75 TYR HA H 75 3.891 3.891 4.319 -0.428 25944 5519 1 10 . 1 1 75 75 TYR C C 75 176.800 176.800 177.347 -0.547 25944 5520 1 10 . 1 1 75 75 TYR CA C 75 62.650 62.650 60.524 2.126 25944 5521 1 10 . 1 1 75 75 TYR CB C 75 38.950 38.950 39.090 -0.140 25944 5522 1 10 . 1 1 75 75 TYR H H 75 6.718 6.718 7.624 -0.906 25944 5523 1 10 . 1 1 76 76 ASN N N 76 115.900 115.900 119.002 -3.102 25944 5524 1 10 . 1 1 76 76 ASN HA H 76 4.385 4.385 4.317 0.068 25944 5525 1 10 . 1 1 76 76 ASN C C 76 178.600 178.600 176.950 1.650 25944 5526 1 10 . 1 1 76 76 ASN CA C 76 56.310 56.310 56.665 -0.355 25944 5527 1 10 . 1 1 76 76 ASN H H 76 8.901 8.901 8.028 0.873 25944 5528 1 10 . 1 1 77 77 SER N N 77 117.000 117.000 115.836 1.164 25944 5529 1 10 . 1 1 77 77 SER HA H 77 4.219 4.219 3.969 0.250 25944 5530 1 10 . 1 1 77 77 SER C C 77 176.800 176.800 176.360 0.440 25944 5531 1 10 . 1 1 77 77 SER CA C 77 62.600 62.600 61.089 1.511 25944 5532 1 10 . 1 1 77 77 SER H H 77 8.512 8.512 7.843 0.669 25944 5533 1 10 . 1 1 78 78 TYR N N 78 125.400 125.400 122.790 2.610 25944 5534 1 10 . 1 1 78 78 TYR HA H 78 4.379 4.379 4.469 -0.090 25944 5535 1 10 . 1 1 78 78 TYR C C 78 176.600 176.600 176.697 -0.097 25944 5536 1 10 . 1 1 78 78 TYR CA C 78 59.800 59.800 61.226 -1.426 25944 5537 1 10 . 1 1 78 78 TYR CB C 78 37.200 37.200 38.783 -1.583 25944 5538 1 10 . 1 1 78 78 TYR H H 78 8.299 8.299 8.103 0.196 25944 5539 1 10 . 1 1 79 79 MET N N 79 118.400 118.400 118.500 -0.100 25944 5540 1 10 . 1 1 79 79 MET HA H 79 3.421 3.421 3.798 -0.377 25944 5541 1 10 . 1 1 79 79 MET C C 79 178.400 178.400 178.600 -0.200 25944 5542 1 10 . 1 1 79 79 MET CA C 79 60.400 60.400 59.616 0.784 25944 5543 1 10 . 1 1 79 79 MET CB C 79 32.750 32.750 32.626 0.124 25944 5544 1 10 . 1 1 79 79 MET H H 79 8.264 8.264 7.639 0.625 25944 5545 1 10 . 1 1 80 80 MET N N 80 117.172 117.172 118.549 -1.377 25944 5546 1 10 . 1 1 80 80 MET HA H 80 4.136 4.136 4.157 -0.021 25944 5547 1 10 . 1 1 80 80 MET C C 80 179.418 179.418 177.895 1.523 25944 5548 1 10 . 1 1 80 80 MET CA C 80 58.419 58.419 59.048 -0.629 25944 5549 1 10 . 1 1 80 80 MET CB C 80 32.400 32.400 32.787 -0.387 25944 5550 1 10 . 1 1 80 80 MET H H 80 7.907 7.907 8.176 -0.269 25944 5551 1 10 . 1 1 81 81 HIS N N 81 121.510 121.510 117.621 3.889 25944 5552 1 10 . 1 1 81 81 HIS HA H 81 4.123 4.123 4.336 -0.213 25944 5553 1 10 . 1 1 81 81 HIS C C 81 177.339 177.339 176.413 0.926 25944 5554 1 10 . 1 1 81 81 HIS CA C 81 60.130 60.130 58.028 2.102 25944 5555 1 10 . 1 1 81 81 HIS CB C 81 29.556 29.556 30.133 -0.577 25944 5556 1 10 . 1 1 81 81 HIS H H 81 8.115 8.115 7.456 0.659 25944 5557 1 10 . 1 1 82 82 LEU N N 82 117.015 117.015 118.133 -1.118 25944 5558 1 10 . 1 1 82 82 LEU HA H 82 3.856 3.856 4.171 -0.315 25944 5559 1 10 . 1 1 82 82 LEU C C 82 178.330 178.330 177.347 0.983 25944 5560 1 10 . 1 1 82 82 LEU CA C 82 56.000 56.000 55.951 0.049 25944 5561 1 10 . 1 1 82 82 LEU CB C 82 42.503 42.503 42.671 -0.168 25944 5562 1 10 . 1 1 82 82 LEU H H 82 7.979 7.979 7.932 0.047 25944 5563 1 10 . 1 1 83 83 GLY N N 83 106.661 106.661 107.927 -1.266 25944 5564 1 10 . 1 1 83 83 GLY C C 83 174.964 174.964 174.564 0.400 25944 5565 1 10 . 1 1 83 83 GLY CA C 83 45.799 45.799 45.556 0.243 25944 5566 1 10 . 1 1 83 83 GLY H H 83 7.755 7.755 7.872 -0.117 25944 5567 1 10 . 1 1 84 84 LEU N N 84 120.273 120.273 113.965 6.308 25944 5568 1 10 . 1 1 84 84 LEU HA H 84 4.399 4.399 4.771 -0.372 25944 5569 1 10 . 1 1 84 84 LEU C C 84 177.302 177.302 176.796 0.506 25944 5570 1 10 . 1 1 84 84 LEU CA C 84 55.048 55.048 54.317 0.731 25944 5571 1 10 . 1 1 84 84 LEU CB C 84 42.662 42.662 43.090 -0.429 25944 5572 1 10 . 1 1 84 84 LEU H H 84 7.568 7.568 7.742 -0.174 25944 5573 1 10 . 1 1 85 85 THR N N 85 111.602 111.602 116.535 -4.933 25944 5574 1 10 . 1 1 85 85 THR HA H 85 4.291 4.291 4.331 -0.040 25944 5575 1 10 . 1 1 85 85 THR C C 85 175.115 175.115 175.349 -0.234 25944 5576 1 10 . 1 1 85 85 THR CA C 85 62.122 62.122 63.606 -1.484 25944 5577 1 10 . 1 1 85 85 THR CB C 85 69.882 69.882 68.959 0.923 25944 5578 1 10 . 1 1 85 85 THR H H 85 8.005 8.005 7.546 0.459 25944 5579 1 10 . 1 1 86 86 GLY N N 86 110.816 110.816 110.794 0.022 25944 5580 1 10 . 1 1 86 86 GLY C C 86 173.491 173.491 174.100 -0.609 25944 5581 1 10 . 1 1 86 86 GLY CA C 86 45.335 45.335 44.642 0.693 25944 5582 1 10 . 1 1 86 86 GLY H H 86 8.246 8.246 8.927 -0.681 25944 5583 1 10 . 1 1 87 87 TYR N N 87 119.845 119.845 119.555 0.290 25944 5584 1 10 . 1 1 87 87 TYR HA H 87 4.505 4.505 4.438 0.067 25944 5585 1 10 . 1 1 87 87 TYR C C 87 175.166 175.166 176.221 -1.055 25944 5586 1 10 . 1 1 87 87 TYR CA C 87 58.010 58.010 59.460 -1.450 25944 5587 1 10 . 1 1 87 87 TYR CB C 87 39.058 39.058 39.094 -0.036 25944 5588 1 10 . 1 1 87 87 TYR H H 87 7.935 7.935 8.438 -0.503 25944 5589 1 10 . 1 1 88 88 GLU N N 88 125.299 125.299 116.859 8.440 25944 5590 1 10 . 1 1 88 88 GLU HA H 88 4.517 4.517 4.767 -0.250 25944 5591 1 10 . 1 1 88 88 GLU C C 88 174.024 174.024 174.117 -0.093 25944 5592 1 10 . 1 1 88 88 GLU CA C 88 53.851 53.851 54.722 -0.871 25944 5593 1 10 . 1 1 88 88 GLU CB C 88 30.050 30.050 30.677 -0.627 25944 5594 1 10 . 1 1 88 88 GLU H H 88 8.205 8.205 8.566 -0.361 25944 5595 1 10 . 1 1 89 89 PRO HA H 89 4.302 4.302 4.594 -0.292 25944 5596 1 10 . 1 1 89 89 PRO C C 89 176.800 176.800 176.157 0.643 25944 5597 1 10 . 1 1 89 89 PRO CA C 89 63.237 63.237 62.807 0.430 25944 5598 1 10 . 1 1 89 89 PRO CB C 89 32.100 32.100 32.336 -0.236 25944 5599 1 10 . 1 1 90 90 ASN N N 90 118.411 118.411 119.604 -1.193 25944 5600 1 10 . 1 1 90 90 ASN HA H 90 4.658 4.658 4.806 -0.148 25944 5601 1 10 . 1 1 90 90 ASN C C 90 175.462 175.462 174.440 1.022 25944 5602 1 10 . 1 1 90 90 ASN CA C 90 53.497 53.497 51.898 1.599 25944 5603 1 10 . 1 1 90 90 ASN CB C 90 38.809 38.809 39.691 -0.881 25944 5604 1 10 . 1 1 90 90 ASN H H 90 8.649 8.649 8.409 0.240 25944 5605 1 10 . 1 1 91 91 SER N N 91 116.049 116.049 115.354 0.695 25944 5606 1 10 . 1 1 91 91 SER HA H 91 4.396 4.396 4.483 -0.087 25944 5607 1 10 . 1 1 91 91 SER C C 91 174.844 174.844 174.146 0.698 25944 5608 1 10 . 1 1 91 91 SER CA C 91 58.769 58.769 58.891 -0.122 25944 5609 1 10 . 1 1 91 91 SER CB C 91 63.927 63.927 62.685 1.242 25944 5610 1 10 . 1 1 91 91 SER H H 91 8.255 8.255 8.417 -0.162 25944 5611 1 10 . 1 1 92 92 SER N N 92 117.736 117.736 119.384 -1.648 25944 5612 1 10 . 1 1 92 92 SER HA H 92 4.414 4.414 4.696 -0.282 25944 5613 1 10 . 1 1 92 92 SER C C 92 174.749 174.749 173.128 1.621 25944 5614 1 10 . 1 1 92 92 SER CA C 92 58.651 58.651 58.235 0.416 25944 5615 1 10 . 1 1 92 92 SER CB C 92 63.952 63.952 64.774 -0.822 25944 5616 1 10 . 1 1 92 92 SER H H 92 8.399 8.399 8.424 -0.025 25944 5617 1 10 . 1 1 93 93 SER N N 93 117.731 117.731 120.216 -2.485 25944 5618 1 10 . 1 1 93 93 SER HA H 93 4.437 4.437 4.939 -0.502 25944 5619 1 10 . 1 1 93 93 SER C C 93 174.918 174.918 172.584 2.334 25944 5620 1 10 . 1 1 93 93 SER CA C 93 58.696 58.696 57.933 0.763 25944 5621 1 10 . 1 1 93 93 SER CB C 93 63.822 63.822 64.307 -0.485 25944 5622 1 10 . 1 1 93 93 SER H H 93 8.308 8.308 8.498 -0.190 25944 5623 1 10 . 1 1 94 94 VAL N N 94 121.028 121.028 119.280 1.748 25944 5624 1 10 . 1 1 94 94 VAL HA H 94 4.020 4.020 4.587 -0.567 25944 5625 1 10 . 1 1 94 94 VAL C C 94 176.301 176.301 174.085 2.216 25944 5626 1 10 . 1 1 94 94 VAL CA C 94 63.176 63.176 61.631 1.545 25944 5627 1 10 . 1 1 94 94 VAL CB C 94 32.797 32.797 34.950 -2.154 25944 5628 1 10 . 1 1 94 94 VAL H H 94 8.026 8.026 8.554 -0.528 25944 5629 1 10 . 1 1 95 95 ASP N N 95 122.997 122.997 122.629 0.368 25944 5630 1 10 . 1 1 95 95 ASP HA H 95 4.537 4.537 4.802 -0.265 25944 5631 1 10 . 1 1 95 95 ASP C C 95 176.937 176.937 176.712 0.225 25944 5632 1 10 . 1 1 95 95 ASP CA C 95 54.806 54.806 53.969 0.836 25944 5633 1 10 . 1 1 95 95 ASP CB C 95 41.014 41.014 41.889 -0.875 25944 5634 1 10 . 1 1 95 95 ASP H H 95 8.274 8.274 8.549 -0.275 25944 5635 1 10 . 1 1 96 96 LYS N N 96 121.796 121.796 120.895 0.901 25944 5636 1 10 . 1 1 96 96 LYS HA H 96 4.163 4.163 4.216 -0.053 25944 5637 1 10 . 1 1 96 96 LYS C C 96 177.534 177.534 178.569 -1.035 25944 5638 1 10 . 1 1 96 96 LYS CA C 96 57.500 57.500 58.005 -0.505 25944 5639 1 10 . 1 1 96 96 LYS CB C 96 32.171 32.171 32.747 -0.576 25944 5640 1 10 . 1 1 96 96 LYS H H 96 8.159 8.159 8.094 0.065 25944 5641 1 10 . 1 1 97 97 LEU N N 97 121.703 121.703 119.845 1.858 25944 5642 1 10 . 1 1 97 97 LEU HA H 97 4.216 4.216 4.012 0.204 25944 5643 1 10 . 1 1 97 97 LEU C C 97 177.892 177.892 178.612 -0.720 25944 5644 1 10 . 1 1 97 97 LEU CA C 97 56.024 56.024 57.097 -1.073 25944 5645 1 10 . 1 1 97 97 LEU CB C 97 41.755 41.755 41.205 0.550 25944 5646 1 10 . 1 1 97 97 LEU H H 97 8.097 8.097 8.001 0.096 25944 5647 1 10 . 1 1 98 98 ALA N N 98 123.261 123.261 120.932 2.329 25944 5648 1 10 . 1 1 98 98 ALA HA H 98 4.158 4.158 4.137 0.021 25944 5649 1 10 . 1 1 98 98 ALA C C 98 178.590 178.590 178.033 0.557 25944 5650 1 10 . 1 1 98 98 ALA CA C 98 53.201 53.201 54.227 -1.026 25944 5651 1 10 . 1 1 98 98 ALA CB C 98 18.643 18.643 18.464 0.179 25944 5652 1 10 . 1 1 98 98 ALA H H 98 7.998 7.998 8.026 -0.028 25944 5653 1 10 . 1 1 99 99 ALA N N 99 121.686 121.686 121.742 -0.056 25944 5654 1 10 . 1 1 99 99 ALA HA H 99 4.173 4.173 4.614 -0.441 25944 5655 1 10 . 1 1 99 99 ALA C C 99 178.303 178.303 175.494 2.809 25944 5656 1 10 . 1 1 99 99 ALA CA C 99 53.182 53.182 51.116 2.066 25944 5657 1 10 . 1 1 99 99 ALA CB C 99 18.638 18.638 18.496 0.142 25944 5658 1 10 . 1 1 99 99 ALA H H 99 8.009 8.009 7.525 0.484 25944 5659 1 10 . 1 1 100 100 ALA N N 100 121.570 121.570 124.143 -2.573 25944 5660 1 10 . 1 1 100 100 ALA HA H 100 4.218 4.218 4.730 -0.512 25944 5661 1 10 . 1 1 100 100 ALA C C 100 178.276 178.276 176.075 2.201 25944 5662 1 10 . 1 1 100 100 ALA CA C 100 52.889 52.889 51.185 1.704 25944 5663 1 10 . 1 1 100 100 ALA CB C 100 18.756 18.756 20.857 -2.101 25944 5664 1 10 . 1 1 100 100 ALA H H 100 7.950 7.950 7.988 -0.038 25944 5665 1 10 . 1 1 101 101 LEU N N 101 120.160 120.160 121.385 -1.225 25944 5666 1 10 . 1 1 101 101 LEU HA H 101 4.223 4.223 4.803 -0.580 25944 5667 1 10 . 1 1 101 101 LEU C C 101 177.673 177.673 176.889 0.784 25944 5668 1 10 . 1 1 101 101 LEU CA C 101 55.529 55.529 54.917 0.612 25944 5669 1 10 . 1 1 101 101 LEU CB C 101 42.213 42.213 43.581 -1.368 25944 5670 1 10 . 1 1 101 101 LEU H H 101 7.931 7.931 8.259 -0.328 25944 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 96 2.855 0.026 2.869 25944 2 1 1 "Average Difference" HA 99 0.368 0.108 0.354 25944 3 1 1 "Average Difference" C 97 1.244 -0.357 1.198 25944 4 1 1 "Average Difference" CA 97 1.283 -0.253 1.265 25944 5 1 1 "Average Difference" CB 90 1.060 0.327 1.014 25944 6 1 1 "Average Difference" HN 96 0.602 -0.005 0.605 25944 7 1 2 "Average Difference" N 96 2.957 0.007 2.972 25944 8 1 2 "Average Difference" HA 99 0.358 0.098 0.346 25944 9 1 2 "Average Difference" C 97 1.191 -0.353 1.143 25944 10 1 2 "Average Difference" CA 97 1.388 -0.251 1.372 25944 11 1 2 "Average Difference" CB 90 1.075 0.247 1.052 25944 12 1 2 "Average Difference" HN 96 0.608 -0.049 0.609 25944 13 1 3 "Average Difference" N 96 3.058 -0.176 3.069 25944 14 1 3 "Average Difference" HA 99 0.347 0.092 0.336 25944 15 1 3 "Average Difference" C 97 1.271 -0.391 1.215 25944 16 1 3 "Average Difference" CA 97 1.272 -0.176 1.266 25944 17 1 3 "Average Difference" CB 90 1.050 0.300 1.012 25944 18 1 3 "Average Difference" HN 96 0.615 -0.039 0.617 25944 19 1 4 "Average Difference" N 96 2.784 -0.282 2.784 25944 20 1 4 "Average Difference" HA 99 0.358 0.094 0.347 25944 21 1 4 "Average Difference" C 97 1.227 -0.432 1.155 25944 22 1 4 "Average Difference" CA 97 1.359 -0.297 1.333 25944 23 1 4 "Average Difference" CB 90 1.166 0.346 1.120 25944 24 1 4 "Average Difference" HN 96 0.555 -0.053 0.556 25944 25 1 5 "Average Difference" N 96 2.790 -0.146 2.800 25944 26 1 5 "Average Difference" HA 99 0.342 0.089 0.332 25944 27 1 5 "Average Difference" C 97 1.155 -0.330 1.113 25944 28 1 5 "Average Difference" CA 97 1.272 -0.239 1.255 25944 29 1 5 "Average Difference" CB 90 1.118 0.261 1.093 25944 30 1 5 "Average Difference" HN 96 0.570 -0.049 0.571 25944 31 1 6 "Average Difference" N 96 2.789 -0.179 2.798 25944 32 1 6 "Average Difference" HA 99 0.380 0.123 0.361 25944 33 1 6 "Average Difference" C 97 1.212 -0.369 1.160 25944 34 1 6 "Average Difference" CA 97 1.353 -0.284 1.330 25944 35 1 6 "Average Difference" CB 90 1.121 0.384 1.059 25944 36 1 6 "Average Difference" HN 96 0.616 -0.060 0.616 25944 37 1 7 "Average Difference" N 96 2.855 -0.184 2.864 25944 38 1 7 "Average Difference" HA 99 0.383 0.106 0.370 25944 39 1 7 "Average Difference" C 97 1.237 -0.350 1.192 25944 40 1 7 "Average Difference" CA 97 1.360 -0.252 1.344 25944 41 1 7 "Average Difference" CB 90 1.094 0.293 1.059 25944 42 1 7 "Average Difference" HN 96 0.615 -0.014 0.618 25944 43 1 8 "Average Difference" N 96 2.838 0.008 2.853 25944 44 1 8 "Average Difference" HA 99 0.346 0.080 0.339 25944 45 1 8 "Average Difference" C 97 1.181 -0.346 1.135 25944 46 1 8 "Average Difference" CA 97 1.325 -0.258 1.306 25944 47 1 8 "Average Difference" CB 90 1.051 0.199 1.038 25944 48 1 8 "Average Difference" HN 96 0.581 -0.026 0.584 25944 49 1 9 "Average Difference" N 96 2.745 -0.045 2.759 25944 50 1 9 "Average Difference" HA 99 0.339 0.099 0.326 25944 51 1 9 "Average Difference" C 97 1.166 -0.347 1.119 25944 52 1 9 "Average Difference" CA 97 1.347 -0.287 1.323 25944 53 1 9 "Average Difference" CB 90 1.094 0.255 1.070 25944 54 1 9 "Average Difference" HN 96 0.584 -0.024 0.586 25944 55 1 10 "Average Difference" N 96 2.906 -0.080 2.921 25944 56 1 10 "Average Difference" HA 99 0.364 0.114 0.348 25944 57 1 10 "Average Difference" C 97 1.257 -0.424 1.190 25944 58 1 10 "Average Difference" CA 97 1.321 -0.249 1.304 25944 59 1 10 "Average Difference" CB 90 1.166 0.328 1.125 25944 60 1 10 "Average Difference" HN 96 0.577 -0.032 0.580 25944 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 25944 _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 ASN N N 2 118.138 118.138 117.827 0.311 25944 2 1 . 1 1 2 2 ASN HA H 2 4.638 4.638 4.588 0.050 25944 3 1 . 1 1 2 2 ASN C C 2 174.541 174.541 174.419 0.122 25944 4 1 . 1 1 2 2 ASN CA C 2 53.194 53.194 53.212 -0.019 25944 5 1 . 1 1 2 2 ASN CB C 2 39.191 39.191 38.074 1.117 25944 6 1 . 1 1 2 2 ASN H H 2 8.331 8.331 8.284 0.047 25944 7 1 . 1 1 3 3 PHE N N 3 121.233 121.233 119.220 2.013 25944 8 1 . 1 1 3 3 PHE HA H 3 4.418 4.418 4.540 -0.122 25944 9 1 . 1 1 3 3 PHE C C 3 174.939 174.939 175.766 -0.827 25944 10 1 . 1 1 3 3 PHE CA C 3 57.817 57.817 57.597 0.220 25944 11 1 . 1 1 3 3 PHE CB C 3 39.377 39.377 38.984 0.393 25944 12 1 . 1 1 3 3 PHE H H 3 8.358 8.358 7.919 0.439 25944 13 1 . 1 1 4 4 ASN N N 4 121.091 121.091 120.691 0.401 25944 14 1 . 1 1 4 4 ASN HA H 4 4.614 4.614 4.857 -0.243 25944 15 1 . 1 1 4 4 ASN C C 4 175.107 175.107 174.927 0.180 25944 16 1 . 1 1 4 4 ASN CA C 4 52.869 52.869 52.975 -0.106 25944 17 1 . 1 1 4 4 ASN CB C 4 38.853 38.853 39.695 -0.842 25944 18 1 . 1 1 4 4 ASN H H 4 8.333 8.333 8.341 -0.008 25944 19 1 . 1 1 5 5 LEU N N 5 123.882 123.882 121.390 2.492 25944 20 1 . 1 1 5 5 LEU HA H 5 4.597 4.597 4.524 0.073 25944 21 1 . 1 1 5 5 LEU C C 5 177.372 177.372 176.732 0.640 25944 22 1 . 1 1 5 5 LEU CA C 5 56.030 56.030 55.055 0.975 25944 23 1 . 1 1 5 5 LEU CB C 5 41.775 41.775 41.999 -0.224 25944 24 1 . 1 1 5 5 LEU H H 5 8.259 8.259 8.380 -0.121 25944 25 1 . 1 1 6 6 ALA N N 6 122.630 122.630 122.668 -0.038 25944 26 1 . 1 1 6 6 ALA HA H 6 4.213 4.213 4.464 -0.251 25944 27 1 . 1 1 6 6 ALA C C 6 178.088 178.088 176.840 1.248 25944 28 1 . 1 1 6 6 ALA CA C 6 53.201 53.201 52.075 1.126 25944 29 1 . 1 1 6 6 ALA CB C 6 18.533 18.533 19.437 -0.904 25944 30 1 . 1 1 6 6 ALA H H 6 8.132 8.132 8.005 0.127 25944 31 1 . 1 1 7 7 SER N N 7 113.309 113.309 115.151 -1.842 25944 32 1 . 1 1 7 7 SER HA H 7 4.333 4.333 4.569 -0.236 25944 33 1 . 1 1 7 7 SER C C 7 174.347 174.347 173.660 0.687 25944 34 1 . 1 1 7 7 SER CA C 7 58.244 58.244 58.120 0.124 25944 35 1 . 1 1 7 7 SER CB C 7 63.655 63.655 64.262 -0.607 25944 36 1 . 1 1 7 7 SER H H 7 7.866 7.866 8.216 -0.350 25944 37 1 . 1 1 8 8 LEU N N 8 123.236 123.236 120.453 2.783 25944 38 1 . 1 1 8 8 LEU HA H 8 4.156 4.156 4.715 -0.559 25944 39 1 . 1 1 8 8 LEU C C 8 176.617 176.617 175.820 0.797 25944 40 1 . 1 1 8 8 LEU CA C 8 55.368 55.368 54.735 0.633 25944 41 1 . 1 1 8 8 LEU CB C 8 42.800 42.800 42.705 0.095 25944 42 1 . 1 1 8 8 LEU H H 8 7.786 7.786 8.289 -0.503 25944 43 1 . 1 1 9 9 ASN N N 9 120.087 120.087 121.828 -1.741 25944 44 1 . 1 1 9 9 ASN HA H 9 4.502 4.502 4.893 -0.391 25944 45 1 . 1 1 9 9 ASN C C 9 175.557 175.557 174.763 0.794 25944 46 1 . 1 1 9 9 ASN CA C 9 52.922 52.922 53.103 -0.181 25944 47 1 . 1 1 9 9 ASN CB C 9 38.529 38.529 38.947 -0.418 25944 48 1 . 1 1 9 9 ASN H H 9 8.127 8.127 8.621 -0.494 25944 49 1 . 1 1 10 10 GLU N N 10 121.943 121.943 120.170 1.773 25944 50 1 . 1 1 10 10 GLU HA H 10 3.419 3.419 4.687 -1.268 25944 51 1 . 1 1 10 10 GLU C C 10 176.176 176.176 175.914 0.262 25944 52 1 . 1 1 10 10 GLU CA C 10 58.261 58.261 56.846 1.415 25944 53 1 . 1 1 10 10 GLU CB C 10 29.371 29.371 30.076 -0.705 25944 54 1 . 1 1 10 10 GLU H H 10 8.479 8.479 8.559 -0.080 25944 55 1 . 1 1 11 11 GLU N N 11 117.932 117.932 118.446 -0.514 25944 56 1 . 1 1 11 11 GLU HA H 11 3.893 3.893 4.326 -0.433 25944 57 1 . 1 1 11 11 GLU C C 11 178.292 178.292 175.737 2.555 25944 58 1 . 1 1 11 11 GLU CA C 11 57.418 57.418 56.155 1.263 25944 59 1 . 1 1 11 11 GLU CB C 11 28.967 28.967 29.119 -0.152 25944 60 1 . 1 1 11 11 GLU H H 11 7.876 7.876 8.297 -0.421 25944 61 1 . 1 1 12 12 MET N N 12 118.969 118.969 116.848 2.121 25944 62 1 . 1 1 12 12 MET HA H 12 3.810 3.810 3.959 -0.149 25944 63 1 . 1 1 12 12 MET C C 12 175.419 175.419 175.324 0.095 25944 64 1 . 1 1 12 12 MET CA C 12 57.481 57.481 55.946 1.535 25944 65 1 . 1 1 12 12 MET CB C 12 32.160 32.160 32.404 -0.244 25944 66 1 . 1 1 12 12 MET H H 12 7.524 7.524 7.540 -0.016 25944 67 1 . 1 1 13 13 PHE N N 13 113.294 113.294 113.883 -0.589 25944 68 1 . 1 1 13 13 PHE HA H 13 4.463 4.463 4.485 -0.022 25944 69 1 . 1 1 13 13 PHE C C 13 176.009 176.009 174.739 1.270 25944 70 1 . 1 1 13 13 PHE CA C 13 54.932 54.932 57.364 -2.432 25944 71 1 . 1 1 13 13 PHE CB C 13 37.856 37.856 39.402 -1.545 25944 72 1 . 1 1 13 13 PHE H H 13 6.975 6.975 6.885 0.090 25944 73 1 . 1 1 14 14 ASN N N 14 116.706 116.706 118.692 -1.986 25944 74 1 . 1 1 14 14 ASN HA H 14 4.778 4.778 4.933 -0.156 25944 75 1 . 1 1 14 14 ASN C C 14 176.202 176.202 176.236 -0.034 25944 76 1 . 1 1 14 14 ASN CA C 14 52.333 52.333 53.390 -1.057 25944 77 1 . 1 1 14 14 ASN CB C 14 36.421 36.421 38.157 -1.736 25944 78 1 . 1 1 14 14 ASN H H 14 7.211 7.211 8.036 -0.825 25944 79 1 . 1 1 15 15 VAL N N 15 121.352 121.352 116.702 4.650 25944 80 1 . 1 1 15 15 VAL HA H 15 3.642 3.642 3.567 0.075 25944 81 1 . 1 1 15 15 VAL C C 15 177.523 177.523 176.157 1.366 25944 82 1 . 1 1 15 15 VAL CA C 15 63.407 63.407 64.725 -1.318 25944 83 1 . 1 1 15 15 VAL CB C 15 31.120 31.120 31.122 -0.002 25944 84 1 . 1 1 15 15 VAL H H 15 7.971 7.971 8.812 -0.841 25944 85 1 . 1 1 16 16 ALA N N 16 124.345 124.345 119.133 5.212 25944 86 1 . 1 1 16 16 ALA HA H 16 4.170 4.170 4.271 -0.101 25944 87 1 . 1 1 16 16 ALA C C 16 178.288 178.288 177.401 0.887 25944 88 1 . 1 1 16 16 ALA CA C 16 54.170 54.170 53.286 0.884 25944 89 1 . 1 1 16 16 ALA CB C 16 17.945 17.945 18.898 -0.953 25944 90 1 . 1 1 16 16 ALA H H 16 8.414 8.414 8.060 0.354 25944 91 1 . 1 1 17 17 ALA N N 17 116.960 116.960 120.258 -3.298 25944 92 1 . 1 1 17 17 ALA HA H 17 4.309 4.309 4.620 -0.311 25944 93 1 . 1 1 17 17 ALA C C 17 177.660 177.660 177.191 0.469 25944 94 1 . 1 1 17 17 ALA CA C 17 51.666 51.666 51.864 -0.198 25944 95 1 . 1 1 17 17 ALA CB C 17 19.331 19.331 20.502 -1.171 25944 96 1 . 1 1 17 17 ALA H H 17 7.099 7.099 7.959 -0.860 25944 97 1 . 1 1 18 18 LEU N N 18 119.640 119.640 119.417 0.223 25944 98 1 . 1 1 18 18 LEU HA H 18 4.479 4.479 4.680 -0.201 25944 99 1 . 1 1 18 18 LEU C C 18 176.424 176.424 175.674 0.750 25944 100 1 . 1 1 18 18 LEU CA C 18 54.960 54.960 55.079 -0.119 25944 101 1 . 1 1 18 18 LEU CB C 18 42.000 42.000 42.945 -0.945 25944 102 1 . 1 1 18 18 LEU H H 18 7.256 7.256 7.790 -0.534 25944 103 1 . 1 1 19 19 THR N N 19 110.240 110.240 115.615 -5.375 25944 104 1 . 1 1 19 19 THR HA H 19 4.389 4.389 4.584 -0.195 25944 105 1 . 1 1 19 19 THR C C 19 174.905 174.905 173.966 0.939 25944 106 1 . 1 1 19 19 THR CA C 19 61.970 61.970 61.549 0.421 25944 107 1 . 1 1 19 19 THR CB C 19 70.500 70.500 70.276 0.225 25944 108 1 . 1 1 19 19 THR H H 19 8.319 8.319 8.316 0.003 25944 109 1 . 1 1 20 20 LYS N N 20 121.645 121.645 123.710 -2.065 25944 110 1 . 1 1 20 20 LYS HA H 20 4.724 4.724 4.354 0.370 25944 111 1 . 1 1 20 20 LYS C C 20 177.100 177.100 175.784 1.316 25944 112 1 . 1 1 20 20 LYS CA C 20 54.890 54.890 56.102 -1.212 25944 113 1 . 1 1 20 20 LYS CB C 20 33.700 33.700 34.046 -0.346 25944 114 1 . 1 1 20 20 LYS H H 20 7.854 7.854 8.227 -0.373 25944 115 1 . 1 1 21 21 ARG N N 21 126.200 126.200 120.887 5.313 25944 116 1 . 1 1 21 21 ARG HA H 21 3.831 3.831 4.133 -0.302 25944 117 1 . 1 1 21 21 ARG C C 21 178.431 178.431 178.029 0.402 25944 118 1 . 1 1 21 21 ARG CA C 21 60.280 60.280 58.504 1.775 25944 119 1 . 1 1 21 21 ARG CB C 21 30.600 30.600 30.365 0.235 25944 120 1 . 1 1 21 21 ARG H H 21 9.171 9.171 8.574 0.597 25944 121 1 . 1 1 22 22 ALA N N 22 118.555 118.555 122.567 -4.012 25944 122 1 . 1 1 22 22 ALA HA H 22 4.053 4.053 4.162 -0.109 25944 123 1 . 1 1 22 22 ALA C C 22 180.573 180.573 178.985 1.588 25944 124 1 . 1 1 22 22 ALA CA C 22 55.480 55.480 54.773 0.707 25944 125 1 . 1 1 22 22 ALA CB C 22 18.700 18.700 18.127 0.573 25944 126 1 . 1 1 22 22 ALA H H 22 8.982 8.982 8.280 0.702 25944 127 1 . 1 1 23 23 ASP N N 23 116.363 116.363 119.480 -3.117 25944 128 1 . 1 1 23 23 ASP HA H 23 4.455 4.455 4.419 0.036 25944 129 1 . 1 1 23 23 ASP C C 23 178.418 178.418 178.273 0.145 25944 130 1 . 1 1 23 23 ASP CA C 23 56.697 56.697 57.186 -0.490 25944 131 1 . 1 1 23 23 ASP CB C 23 41.260 41.260 40.518 0.742 25944 132 1 . 1 1 23 23 ASP H H 23 6.880 6.880 8.640 -1.760 25944 133 1 . 1 1 24 24 ALA N N 24 124.072 124.072 120.882 3.190 25944 134 1 . 1 1 24 24 ALA HA H 24 4.307 4.307 4.333 -0.026 25944 135 1 . 1 1 24 24 ALA C C 24 178.301 178.301 179.246 -0.945 25944 136 1 . 1 1 24 24 ALA CA C 24 55.376 55.376 55.089 0.287 25944 137 1 . 1 1 24 24 ALA CB C 24 17.900 17.900 18.497 -0.597 25944 138 1 . 1 1 24 24 ALA H H 24 7.882 7.882 8.085 -0.203 25944 139 1 . 1 1 25 25 LYS N N 25 118.064 118.064 118.932 -0.868 25944 140 1 . 1 1 25 25 LYS HA H 25 3.748 3.748 3.912 -0.164 25944 141 1 . 1 1 25 25 LYS C C 25 177.149 177.149 178.426 -1.277 25944 142 1 . 1 1 25 25 LYS CA C 25 60.613 60.613 59.024 1.589 25944 143 1 . 1 1 25 25 LYS CB C 25 32.433 32.433 32.047 0.386 25944 144 1 . 1 1 25 25 LYS H H 25 8.799 8.799 7.738 1.061 25944 145 1 . 1 1 26 26 LYS N N 26 116.995 116.995 119.491 -2.496 25944 146 1 . 1 1 26 26 LYS HA H 26 3.919 3.919 4.130 -0.211 25944 147 1 . 1 1 26 26 LYS C C 26 179.262 179.262 178.792 0.470 25944 148 1 . 1 1 26 26 LYS CA C 26 59.980 59.980 59.121 0.859 25944 149 1 . 1 1 26 26 LYS CB C 26 32.370 32.370 32.283 0.087 25944 150 1 . 1 1 26 26 LYS H H 26 7.507 7.507 7.879 -0.372 25944 151 1 . 1 1 27 27 LEU N N 27 118.319 118.319 119.609 -1.290 25944 152 1 . 1 1 27 27 LEU HA H 27 4.387 4.387 4.168 0.219 25944 153 1 . 1 1 27 27 LEU C C 27 178.187 178.187 179.066 -0.879 25944 154 1 . 1 1 27 27 LEU CA C 27 57.928 57.928 57.863 0.065 25944 155 1 . 1 1 27 27 LEU CB C 27 40.941 40.941 42.247 -1.306 25944 156 1 . 1 1 27 27 LEU H H 27 7.359 7.359 7.817 -0.458 25944 157 1 . 1 1 28 28 ALA N N 28 121.257 121.257 120.546 0.711 25944 158 1 . 1 1 28 28 ALA HA H 28 3.677 3.677 4.321 -0.643 25944 159 1 . 1 1 28 28 ALA C C 28 179.000 179.000 178.944 0.056 25944 160 1 . 1 1 28 28 ALA CA C 28 56.364 56.364 54.844 1.520 25944 161 1 . 1 1 28 28 ALA CB C 28 16.138 16.138 17.892 -1.754 25944 162 1 . 1 1 28 28 ALA H H 28 8.571 8.571 8.079 0.492 25944 163 1 . 1 1 29 29 LYS N N 29 114.495 114.495 119.556 -5.061 25944 164 1 . 1 1 29 29 LYS HA H 29 3.834 3.834 3.950 -0.116 25944 165 1 . 1 1 29 29 LYS C C 29 180.597 180.597 178.754 1.843 25944 166 1 . 1 1 29 29 LYS CA C 29 60.073 60.073 59.442 0.631 25944 167 1 . 1 1 29 29 LYS CB C 29 32.334 32.334 32.206 0.128 25944 168 1 . 1 1 29 29 LYS H H 29 8.312 8.312 7.892 0.420 25944 169 1 . 1 1 30 30 GLN N N 30 119.983 119.983 117.441 2.542 25944 170 1 . 1 1 30 30 GLN HA H 30 4.120 4.120 4.194 -0.074 25944 171 1 . 1 1 30 30 GLN C C 30 179.114 179.114 178.423 0.691 25944 172 1 . 1 1 30 30 GLN CA C 30 59.063 59.063 58.426 0.637 25944 173 1 . 1 1 30 30 GLN CB C 30 29.010 29.010 28.274 0.736 25944 174 1 . 1 1 30 30 GLN H H 30 7.793 7.793 7.733 0.060 25944 175 1 . 1 1 31 31 LEU N N 31 117.633 117.633 119.277 -1.644 25944 176 1 . 1 1 31 31 LEU HA H 31 3.927 3.927 4.336 -0.409 25944 177 1 . 1 1 31 31 LEU C C 31 178.747 178.747 177.901 0.846 25944 178 1 . 1 1 31 31 LEU CA C 31 57.608 57.608 56.644 0.964 25944 179 1 . 1 1 31 31 LEU CB C 31 41.099 41.099 42.343 -1.244 25944 180 1 . 1 1 31 31 LEU H H 31 8.348 8.348 7.391 0.957 25944 181 1 . 1 1 32 32 MET N N 32 115.087 115.087 115.031 0.056 25944 182 1 . 1 1 32 32 MET HA H 32 4.291 4.291 4.567 -0.276 25944 183 1 . 1 1 32 32 MET C C 32 178.337 178.337 177.311 1.026 25944 184 1 . 1 1 32 32 MET CA C 32 56.190 56.190 56.752 -0.562 25944 185 1 . 1 1 32 32 MET CB C 32 33.237 33.237 33.600 -0.363 25944 186 1 . 1 1 32 32 MET H H 32 8.083 8.083 7.920 0.163 25944 187 1 . 1 1 33 33 GLY N N 33 102.979 102.979 107.793 -4.814 25944 188 1 . 1 1 33 33 GLY C C 33 173.716 173.716 174.293 -0.577 25944 189 1 . 1 1 33 33 GLY CA C 33 45.341 45.341 45.040 0.301 25944 190 1 . 1 1 33 33 GLY H H 33 7.514 7.514 7.847 -0.333 25944 191 1 . 1 1 34 34 ASN N N 34 117.931 117.931 121.808 -3.877 25944 192 1 . 1 1 34 34 ASN HA H 34 4.911 4.911 4.822 0.089 25944 193 1 . 1 1 34 34 ASN C C 34 173.721 173.721 175.401 -1.680 25944 194 1 . 1 1 34 34 ASN CA C 34 52.465 52.465 53.410 -0.945 25944 195 1 . 1 1 34 34 ASN CB C 34 39.303 39.303 39.257 0.046 25944 196 1 . 1 1 34 34 ASN H H 34 7.176 7.176 8.098 -0.922 25944 197 1 . 1 1 35 35 ASP N N 35 125.367 125.367 126.261 -0.894 25944 198 1 . 1 1 35 35 ASP HA H 35 4.396 4.396 4.373 0.023 25944 199 1 . 1 1 35 35 ASP C C 35 177.810 177.810 177.542 0.268 25944 200 1 . 1 1 35 35 ASP CA C 35 57.193 57.193 57.336 -0.143 25944 201 1 . 1 1 35 35 ASP CB C 35 40.007 40.007 40.952 -0.945 25944 202 1 . 1 1 35 35 ASP H H 35 8.857 8.857 8.806 0.051 25944 203 1 . 1 1 36 36 LYS N N 36 119.269 119.269 120.270 -1.001 25944 204 1 . 1 1 36 36 LYS HA H 36 4.146 4.146 4.133 0.013 25944 205 1 . 1 1 36 36 LYS C C 36 179.704 179.704 178.080 1.624 25944 206 1 . 1 1 36 36 LYS CA C 36 58.391 58.391 58.624 -0.233 25944 207 1 . 1 1 36 36 LYS CB C 36 31.904 31.904 31.314 0.590 25944 208 1 . 1 1 36 36 LYS H H 36 7.972 7.972 8.320 -0.348 25944 209 1 . 1 1 37 37 LEU N N 37 122.961 122.961 119.965 2.996 25944 210 1 . 1 1 37 37 LEU HA H 37 3.938 3.938 4.308 -0.370 25944 211 1 . 1 1 37 37 LEU C C 37 177.699 177.699 178.193 -0.494 25944 212 1 . 1 1 37 37 LEU CA C 37 56.863 56.863 56.799 0.064 25944 213 1 . 1 1 37 37 LEU CB C 37 42.072 42.072 41.805 0.267 25944 214 1 . 1 1 37 37 LEU H H 37 7.370 7.370 7.667 -0.297 25944 215 1 . 1 1 38 38 ALA N N 38 120.603 120.603 121.620 -1.017 25944 216 1 . 1 1 38 38 ALA HA H 38 3.270 3.270 3.874 -0.604 25944 217 1 . 1 1 38 38 ALA C C 38 176.450 176.450 179.408 -2.958 25944 218 1 . 1 1 38 38 ALA CA C 38 55.268 55.268 55.265 0.003 25944 219 1 . 1 1 38 38 ALA CB C 38 16.619 16.619 17.863 -1.244 25944 220 1 . 1 1 38 38 ALA H H 38 7.918 7.918 8.221 -0.303 25944 221 1 . 1 1 39 39 ASP N N 39 113.981 113.981 119.161 -5.180 25944 222 1 . 1 1 39 39 ASP HA H 39 4.082 4.082 4.574 -0.491 25944 223 1 . 1 1 39 39 ASP C C 39 178.258 178.258 177.920 0.338 25944 224 1 . 1 1 39 39 ASP CA C 39 57.308 57.308 57.660 -0.352 25944 225 1 . 1 1 39 39 ASP CB C 39 40.859 40.859 40.767 0.092 25944 226 1 . 1 1 39 39 ASP H H 39 7.594 7.594 8.206 -0.612 25944 227 1 . 1 1 40 40 ALA N N 40 119.475 119.475 120.598 -1.123 25944 228 1 . 1 1 40 40 ALA HA H 40 3.831 3.831 4.265 -0.434 25944 229 1 . 1 1 40 40 ALA C C 40 179.459 179.459 178.838 0.621 25944 230 1 . 1 1 40 40 ALA CA C 40 54.590 54.590 53.874 0.716 25944 231 1 . 1 1 40 40 ALA CB C 40 17.241 17.241 18.662 -1.421 25944 232 1 . 1 1 40 40 ALA H H 40 6.934 6.934 7.690 -0.756 25944 233 1 . 1 1 41 41 ALA N N 41 124.918 124.918 123.463 1.455 25944 234 1 . 1 1 41 41 ALA HA H 41 1.920 1.920 2.823 -0.903 25944 235 1 . 1 1 41 41 ALA C C 41 177.309 177.309 177.919 -0.610 25944 236 1 . 1 1 41 41 ALA CA C 41 54.473 54.473 54.069 0.404 25944 237 1 . 1 1 41 41 ALA CB C 41 16.412 16.412 18.190 -1.778 25944 238 1 . 1 1 41 41 ALA H H 41 7.384 7.384 7.547 -0.163 25944 239 1 . 1 1 42 42 TYR N N 42 115.340 115.340 117.256 -1.916 25944 240 1 . 1 1 42 42 TYR HA H 42 4.164 4.164 4.441 -0.277 25944 241 1 . 1 1 42 42 TYR C C 42 179.228 179.228 177.594 1.633 25944 242 1 . 1 1 42 42 TYR CA C 42 58.300 58.300 60.793 -2.493 25944 243 1 . 1 1 42 42 TYR CB C 42 35.365 35.365 37.977 -2.612 25944 244 1 . 1 1 42 42 TYR H H 42 7.639 7.639 8.412 -0.773 25944 245 1 . 1 1 43 43 ILE N N 43 117.754 117.754 118.280 -0.526 25944 246 1 . 1 1 43 43 ILE HA H 43 3.839 3.839 3.478 0.362 25944 247 1 . 1 1 43 43 ILE C C 43 178.090 178.090 177.224 0.866 25944 248 1 . 1 1 43 43 ILE CA C 43 64.721 64.721 61.418 3.303 25944 249 1 . 1 1 43 43 ILE CB C 43 39.511 39.511 37.020 2.492 25944 250 1 . 1 1 43 43 ILE H H 43 7.321 7.321 7.025 0.296 25944 251 1 . 1 1 44 44 TRP N N 44 124.439 124.439 123.270 1.169 25944 252 1 . 1 1 44 44 TRP HA H 44 4.049 4.049 4.222 -0.173 25944 253 1 . 1 1 44 44 TRP C C 44 181.073 181.073 178.015 3.058 25944 254 1 . 1 1 44 44 TRP CA C 44 63.008 63.008 61.258 1.750 25944 255 1 . 1 1 44 44 TRP CB C 44 30.286 30.286 29.237 1.049 25944 256 1 . 1 1 44 44 TRP H H 44 8.016 8.016 7.104 0.912 25944 257 1 . 1 1 45 45 TRP N N 45 121.640 121.640 118.096 3.544 25944 258 1 . 1 1 45 45 TRP HA H 45 4.537 4.537 4.386 0.151 25944 259 1 . 1 1 45 45 TRP C C 45 178.515 178.515 179.170 -0.655 25944 260 1 . 1 1 45 45 TRP CA C 45 58.862 58.862 59.915 -1.053 25944 261 1 . 1 1 45 45 TRP CB C 45 28.572 28.572 28.521 0.051 25944 262 1 . 1 1 45 45 TRP H H 45 10.044 10.044 7.918 2.126 25944 263 1 . 1 1 46 46 GLN N N 46 120.394 120.394 118.497 1.897 25944 264 1 . 1 1 46 46 GLN HA H 46 4.276 4.276 3.938 0.338 25944 265 1 . 1 1 46 46 GLN C C 46 180.992 180.992 178.299 2.693 25944 266 1 . 1 1 46 46 GLN CA C 46 59.809 59.809 58.918 0.891 25944 267 1 . 1 1 46 46 GLN CB C 46 26.732 26.732 28.039 -1.307 25944 268 1 . 1 1 46 46 GLN H H 46 8.652 8.652 8.287 0.365 25944 269 1 . 1 1 47 47 HIS N N 47 118.999 118.999 117.826 1.173 25944 270 1 . 1 1 47 47 HIS HA H 47 4.304 4.304 4.235 0.069 25944 271 1 . 1 1 47 47 HIS C C 47 175.745 175.745 175.812 -0.067 25944 272 1 . 1 1 47 47 HIS CA C 47 53.405 53.405 58.292 -4.887 25944 273 1 . 1 1 47 47 HIS CB C 47 28.839 28.839 29.607 -0.768 25944 274 1 . 1 1 47 47 HIS H H 47 8.640 8.640 7.707 0.933 25944 275 1 . 1 1 48 48 ASN N N 48 115.577 115.577 115.189 0.388 25944 276 1 . 1 1 48 48 ASN HA H 48 4.387 4.387 4.646 -0.259 25944 277 1 . 1 1 48 48 ASN C C 48 172.379 172.379 174.219 -1.840 25944 278 1 . 1 1 48 48 ASN CA C 48 53.783 53.783 52.730 1.053 25944 279 1 . 1 1 48 48 ASN CB C 48 38.582 38.582 38.370 0.212 25944 280 1 . 1 1 48 48 ASN H H 48 7.851 7.851 7.627 0.224 25944 281 1 . 1 1 49 49 ARG N N 49 114.746 114.746 116.321 -1.575 25944 282 1 . 1 1 49 49 ARG HA H 49 3.837 3.837 3.984 -0.147 25944 283 1 . 1 1 49 49 ARG C C 49 175.105 175.105 175.409 -0.304 25944 284 1 . 1 1 49 49 ARG CA C 49 57.252 57.252 56.774 0.478 25944 285 1 . 1 1 49 49 ARG CB C 49 26.100 26.100 27.253 -1.153 25944 286 1 . 1 1 49 49 ARG H H 49 7.790 7.790 8.057 -0.267 25944 287 1 . 1 1 50 50 VAL N N 50 120.612 120.612 118.959 1.653 25944 288 1 . 1 1 50 50 VAL HA H 50 4.169 4.169 4.048 0.121 25944 289 1 . 1 1 50 50 VAL C C 50 178.261 178.261 175.856 2.405 25944 290 1 . 1 1 50 50 VAL CA C 50 63.272 63.272 62.680 0.592 25944 291 1 . 1 1 50 50 VAL CB C 50 31.060 31.060 33.365 -2.305 25944 292 1 . 1 1 50 50 VAL H H 50 8.556 8.556 7.723 0.833 25944 293 1 . 1 1 51 51 THR N N 51 122.788 122.788 119.363 3.425 25944 294 1 . 1 1 51 51 THR HA H 51 4.761 4.761 4.599 0.162 25944 295 1 . 1 1 51 51 THR C C 51 176.097 176.097 175.484 0.613 25944 296 1 . 1 1 51 51 THR CA C 51 60.823 60.823 59.900 0.923 25944 297 1 . 1 1 51 51 THR CB C 51 71.497 71.497 70.739 0.758 25944 298 1 . 1 1 51 51 THR H H 51 8.706 8.706 8.176 0.530 25944 299 1 . 1 1 52 52 LEU N N 52 120.755 120.755 127.992 -7.237 25944 300 1 . 1 1 52 52 LEU HA H 52 3.996 3.996 4.018 -0.022 25944 301 1 . 1 1 52 52 LEU C C 52 179.154 179.154 178.372 0.782 25944 302 1 . 1 1 52 52 LEU CA C 52 58.472 58.472 57.860 0.612 25944 303 1 . 1 1 52 52 LEU CB C 52 40.238 40.238 41.457 -1.219 25944 304 1 . 1 1 52 52 LEU H H 52 8.990 8.990 8.971 0.019 25944 305 1 . 1 1 53 53 ASP N N 53 117.391 117.391 117.022 0.369 25944 306 1 . 1 1 53 53 ASP HA H 53 4.547 4.547 4.268 0.279 25944 307 1 . 1 1 53 53 ASP C C 53 178.795 178.795 178.044 0.751 25944 308 1 . 1 1 53 53 ASP CA C 53 57.267 57.267 56.992 0.275 25944 309 1 . 1 1 53 53 ASP CB C 53 40.462 40.462 40.641 -0.179 25944 310 1 . 1 1 53 53 ASP H H 53 8.204 8.204 7.972 0.233 25944 311 1 . 1 1 54 54 GLN N N 54 119.886 119.886 119.018 0.868 25944 312 1 . 1 1 54 54 GLN C C 54 179.913 179.913 177.990 1.923 25944 313 1 . 1 1 54 54 GLN CA C 54 59.022 59.022 58.250 0.772 25944 314 1 . 1 1 54 54 GLN CB C 54 29.100 29.100 28.991 0.109 25944 315 1 . 1 1 54 54 GLN H H 54 7.761 7.761 7.645 0.116 25944 316 1 . 1 1 55 55 ILE N N 55 121.501 121.501 120.334 1.167 25944 317 1 . 1 1 55 55 ILE C C 55 177.425 177.425 177.974 -0.549 25944 318 1 . 1 1 55 55 ILE CA C 55 61.603 61.603 63.798 -2.195 25944 319 1 . 1 1 55 55 ILE CB C 55 33.900 33.900 36.346 -2.446 25944 320 1 . 1 1 55 55 ILE H H 55 7.864 7.864 7.580 0.284 25944 321 1 . 1 1 56 56 ASP N N 56 122.017 122.017 119.295 2.722 25944 322 1 . 1 1 56 56 ASP HA H 56 4.337 4.337 3.310 1.027 25944 323 1 . 1 1 56 56 ASP C C 56 177.692 177.692 178.068 -0.376 25944 324 1 . 1 1 56 56 ASP CA C 56 58.337 58.337 57.110 1.227 25944 325 1 . 1 1 56 56 ASP CB C 56 42.299 42.299 40.352 1.947 25944 326 1 . 1 1 56 56 ASP H H 56 8.840 8.840 8.429 0.411 25944 327 1 . 1 1 57 57 THR N N 57 114.652 114.652 114.908 -0.256 25944 328 1 . 1 1 57 57 THR HA H 57 4.239 4.239 4.018 0.221 25944 329 1 . 1 1 57 57 THR C C 57 176.138 176.138 176.027 0.111 25944 330 1 . 1 1 57 57 THR CA C 57 67.433 67.433 65.071 2.362 25944 331 1 . 1 1 57 57 THR CB C 57 68.636 68.636 68.877 -0.241 25944 332 1 . 1 1 57 57 THR H H 57 8.148 8.148 7.538 0.610 25944 333 1 . 1 1 58 58 PHE N N 58 124.453 124.453 123.037 1.416 25944 334 1 . 1 1 58 58 PHE HA H 58 4.598 4.598 4.287 0.311 25944 335 1 . 1 1 58 58 PHE C C 58 176.122 176.122 175.941 0.181 25944 336 1 . 1 1 58 58 PHE CA C 58 59.150 59.150 60.515 -1.365 25944 337 1 . 1 1 58 58 PHE CB C 58 38.571 38.571 39.014 -0.443 25944 338 1 . 1 1 58 58 PHE H H 58 7.650 7.650 7.407 0.243 25944 339 1 . 1 1 59 59 LEU N N 59 120.652 120.652 120.045 0.607 25944 340 1 . 1 1 59 59 LEU HA H 59 3.423 3.423 3.265 0.158 25944 341 1 . 1 1 59 59 LEU C C 59 179.603 179.603 178.677 0.926 25944 342 1 . 1 1 59 59 LEU CA C 59 57.710 57.710 58.065 -0.355 25944 343 1 . 1 1 59 59 LEU CB C 59 39.800 39.800 41.750 -1.950 25944 344 1 . 1 1 59 59 LEU H H 59 8.543 8.543 8.402 0.141 25944 345 1 . 1 1 60 60 LYS N N 60 119.870 119.870 118.828 1.042 25944 346 1 . 1 1 60 60 LYS HA H 60 3.563 3.563 3.777 -0.214 25944 347 1 . 1 1 60 60 LYS C C 60 178.258 178.258 178.727 -0.469 25944 348 1 . 1 1 60 60 LYS CA C 60 59.797 59.797 59.253 0.544 25944 349 1 . 1 1 60 60 LYS CB C 60 32.464 32.464 32.077 0.387 25944 350 1 . 1 1 60 60 LYS H H 60 8.105 8.105 7.567 0.538 25944 351 1 . 1 1 61 61 LEU N N 61 120.600 120.600 116.020 4.580 25944 352 1 . 1 1 61 61 LEU HA H 61 4.117 4.117 4.006 0.111 25944 353 1 . 1 1 61 61 LEU C C 61 178.029 178.029 177.265 0.764 25944 354 1 . 1 1 61 61 LEU CA C 61 56.880 56.880 57.263 -0.383 25944 355 1 . 1 1 61 61 LEU CB C 61 42.059 42.059 41.419 0.640 25944 356 1 . 1 1 61 61 LEU H H 61 7.496 7.496 7.349 0.147 25944 357 1 . 1 1 62 62 ALA N N 62 118.900 118.900 119.777 -0.877 25944 358 1 . 1 1 62 62 ALA HA H 62 3.901 3.901 4.163 -0.262 25944 359 1 . 1 1 62 62 ALA C C 62 178.505 178.505 177.930 0.575 25944 360 1 . 1 1 62 62 ALA CA C 62 54.603 54.603 52.994 1.610 25944 361 1 . 1 1 62 62 ALA CB C 62 19.400 19.400 19.258 0.142 25944 362 1 . 1 1 62 62 ALA H H 62 7.827 7.827 7.551 0.276 25944 363 1 . 1 1 63 63 SER N N 63 111.351 111.351 114.174 -2.823 25944 364 1 . 1 1 63 63 SER HA H 63 3.390 3.390 4.507 -1.118 25944 365 1 . 1 1 63 63 SER C C 63 170.257 170.257 174.127 -3.870 25944 366 1 . 1 1 63 63 SER CA C 63 59.687 59.687 57.877 1.810 25944 367 1 . 1 1 63 63 SER CB C 63 62.300 62.300 64.468 -2.168 25944 368 1 . 1 1 63 63 SER H H 63 7.839 7.839 7.730 0.109 25944 369 1 . 1 1 67 67 GLN N N 67 122.300 122.300 117.676 4.624 25944 370 1 . 1 1 67 67 GLN HA H 67 4.009 4.009 4.012 -0.003 25944 371 1 . 1 1 67 67 GLN C C 67 176.000 176.000 175.987 0.013 25944 372 1 . 1 1 67 67 GLN CA C 67 56.950 56.950 56.728 0.222 25944 373 1 . 1 1 67 67 GLN CB C 67 26.500 26.500 27.335 -0.835 25944 374 1 . 1 1 67 67 GLN H H 67 8.201 8.201 8.201 0.000 25944 375 1 . 1 1 68 68 GLY N N 68 105.200 105.200 105.356 -0.156 25944 376 1 . 1 1 68 68 GLY C C 68 174.914 174.914 174.627 0.287 25944 377 1 . 1 1 68 68 GLY CA C 68 45.622 45.622 45.304 0.318 25944 378 1 . 1 1 68 68 GLY H H 68 8.512 8.512 8.067 0.445 25944 379 1 . 1 1 69 69 ALA N N 69 125.585 125.585 126.758 -1.173 25944 380 1 . 1 1 69 69 ALA HA H 69 4.020 4.020 4.096 -0.076 25944 381 1 . 1 1 69 69 ALA C C 69 180.176 180.176 179.212 0.964 25944 382 1 . 1 1 69 69 ALA CA C 69 55.000 55.000 54.391 0.609 25944 383 1 . 1 1 69 69 ALA CB C 69 18.200 18.200 19.022 -0.822 25944 384 1 . 1 1 69 69 ALA H H 69 8.046 8.046 8.441 -0.395 25944 385 1 . 1 1 70 70 LYS N N 70 116.500 116.500 118.503 -2.003 25944 386 1 . 1 1 70 70 LYS HA H 70 3.923 3.923 4.091 -0.168 25944 387 1 . 1 1 70 70 LYS C C 70 176.800 176.800 177.929 -1.129 25944 388 1 . 1 1 70 70 LYS CA C 70 58.530 58.530 58.141 0.389 25944 389 1 . 1 1 70 70 LYS H H 70 7.928 7.928 8.585 -0.657 25944 390 1 . 1 1 71 71 TYR N N 71 116.400 116.400 119.441 -3.041 25944 391 1 . 1 1 71 71 TYR HA H 71 5.173 5.173 4.256 0.917 25944 392 1 . 1 1 71 71 TYR C C 71 175.800 175.800 176.700 -0.900 25944 393 1 . 1 1 71 71 TYR CA C 71 55.810 55.810 60.213 -4.403 25944 394 1 . 1 1 71 71 TYR CB C 71 40.500 40.500 37.889 2.611 25944 395 1 . 1 1 71 71 TYR H H 71 7.465 7.465 8.088 -0.624 25944 396 1 . 1 1 72 72 ASN N N 72 120.200 120.200 115.691 4.509 25944 397 1 . 1 1 72 72 ASN HA H 72 4.421 4.421 4.110 0.311 25944 398 1 . 1 1 72 72 ASN C C 72 176.000 176.000 177.110 -1.110 25944 399 1 . 1 1 72 72 ASN CA C 72 56.600 56.600 54.423 2.177 25944 400 1 . 1 1 72 72 ASN CB C 72 38.690 38.690 38.270 0.420 25944 401 1 . 1 1 72 72 ASN H H 72 7.675 7.675 7.647 0.028 25944 402 1 . 1 1 73 73 GLN N N 73 119.800 119.800 120.360 -0.560 25944 403 1 . 1 1 73 73 GLN HA H 73 4.212 4.212 4.089 0.123 25944 404 1 . 1 1 73 73 GLN C C 73 178.600 178.600 177.892 0.709 25944 405 1 . 1 1 73 73 GLN CA C 73 59.610 59.610 58.721 0.890 25944 406 1 . 1 1 73 73 GLN CB C 73 29.460 29.460 28.644 0.816 25944 407 1 . 1 1 73 73 GLN H H 73 9.111 9.111 7.391 1.720 25944 408 1 . 1 1 74 74 ILE N N 74 119.200 119.200 115.803 3.397 25944 409 1 . 1 1 74 74 ILE HA H 74 4.409 4.409 3.933 0.476 25944 410 1 . 1 1 74 74 ILE C C 74 177.100 177.100 177.011 0.089 25944 411 1 . 1 1 74 74 ILE CA C 74 63.410 63.410 63.021 0.389 25944 412 1 . 1 1 74 74 ILE CB C 74 37.700 37.700 37.026 0.674 25944 413 1 . 1 1 74 74 ILE H H 74 7.944 7.944 7.471 0.472 25944 414 1 . 1 1 75 75 TYR N N 75 119.600 119.600 120.916 -1.316 25944 415 1 . 1 1 75 75 TYR HA H 75 3.891 3.891 4.357 -0.466 25944 416 1 . 1 1 75 75 TYR C C 75 176.800 176.800 176.834 -0.034 25944 417 1 . 1 1 75 75 TYR CA C 75 62.650 62.650 60.569 2.081 25944 418 1 . 1 1 75 75 TYR CB C 75 38.950 38.950 39.179 -0.230 25944 419 1 . 1 1 75 75 TYR H H 75 6.718 6.718 7.655 -0.937 25944 420 1 . 1 1 76 76 ASN N N 76 115.900 115.900 118.982 -3.082 25944 421 1 . 1 1 76 76 ASN HA H 76 4.385 4.385 4.338 0.047 25944 422 1 . 1 1 76 76 ASN C C 76 178.600 178.600 177.104 1.496 25944 423 1 . 1 1 76 76 ASN CA C 76 56.310 56.310 56.504 -0.194 25944 424 1 . 1 1 76 76 ASN H H 76 8.901 8.901 8.003 0.898 25944 425 1 . 1 1 77 77 SER N N 77 117.000 117.000 115.526 1.474 25944 426 1 . 1 1 77 77 SER HA H 77 4.219 4.219 3.984 0.235 25944 427 1 . 1 1 77 77 SER C C 77 176.800 176.800 176.341 0.459 25944 428 1 . 1 1 77 77 SER CA C 77 62.600 62.600 61.277 1.323 25944 429 1 . 1 1 77 77 SER H H 77 8.512 8.512 7.802 0.710 25944 430 1 . 1 1 78 78 TYR N N 78 125.400 125.400 122.916 2.484 25944 431 1 . 1 1 78 78 TYR HA H 78 4.379 4.379 4.449 -0.070 25944 432 1 . 1 1 78 78 TYR C C 78 176.600 176.600 176.845 -0.245 25944 433 1 . 1 1 78 78 TYR CA C 78 59.800 59.800 61.343 -1.543 25944 434 1 . 1 1 78 78 TYR CB C 78 37.200 37.200 38.647 -1.447 25944 435 1 . 1 1 78 78 TYR H H 78 8.299 8.299 8.108 0.191 25944 436 1 . 1 1 79 79 MET N N 79 118.400 118.400 118.167 0.232 25944 437 1 . 1 1 79 79 MET HA H 79 3.421 3.421 3.836 -0.415 25944 438 1 . 1 1 79 79 MET C C 79 178.400 178.400 178.522 -0.122 25944 439 1 . 1 1 79 79 MET CA C 79 60.400 60.400 59.280 1.120 25944 440 1 . 1 1 79 79 MET CB C 79 32.750 32.750 32.621 0.129 25944 441 1 . 1 1 79 79 MET H H 79 8.264 8.264 7.686 0.577 25944 442 1 . 1 1 80 80 MET N N 80 117.172 117.172 117.051 0.121 25944 443 1 . 1 1 80 80 MET HA H 80 4.136 4.136 4.164 -0.028 25944 444 1 . 1 1 80 80 MET C C 80 179.418 179.418 177.622 1.796 25944 445 1 . 1 1 80 80 MET CA C 80 58.419 58.419 58.117 0.302 25944 446 1 . 1 1 80 80 MET CB C 80 32.400 32.400 32.310 0.090 25944 447 1 . 1 1 80 80 MET H H 80 7.907 7.907 8.246 -0.339 25944 448 1 . 1 1 81 81 HIS N N 81 121.510 121.510 118.277 3.233 25944 449 1 . 1 1 81 81 HIS HA H 81 4.123 4.123 4.281 -0.158 25944 450 1 . 1 1 81 81 HIS C C 81 177.339 177.339 177.612 -0.273 25944 451 1 . 1 1 81 81 HIS CA C 81 60.130 60.130 58.870 1.260 25944 452 1 . 1 1 81 81 HIS CB C 81 29.556 29.556 30.166 -0.610 25944 453 1 . 1 1 81 81 HIS H H 81 8.115 8.115 7.519 0.596 25944 454 1 . 1 1 82 82 LEU N N 82 117.015 117.015 117.414 -0.399 25944 455 1 . 1 1 82 82 LEU HA H 82 3.856 3.856 4.120 -0.265 25944 456 1 . 1 1 82 82 LEU C C 82 178.330 178.330 177.653 0.677 25944 457 1 . 1 1 82 82 LEU CA C 82 56.000 56.000 55.843 0.157 25944 458 1 . 1 1 82 82 LEU CB C 82 42.503 42.503 42.126 0.377 25944 459 1 . 1 1 82 82 LEU H H 82 7.979 7.979 7.870 0.109 25944 460 1 . 1 1 83 83 GLY N N 83 106.661 106.661 107.463 -0.802 25944 461 1 . 1 1 83 83 GLY C C 83 174.964 174.964 174.947 0.017 25944 462 1 . 1 1 83 83 GLY CA C 83 45.799 45.799 45.743 0.056 25944 463 1 . 1 1 83 83 GLY H H 83 7.755 7.755 7.784 -0.029 25944 464 1 . 1 1 84 84 LEU N N 84 120.273 120.273 115.028 5.245 25944 465 1 . 1 1 84 84 LEU HA H 84 4.399 4.399 4.785 -0.386 25944 466 1 . 1 1 84 84 LEU C C 84 177.302 177.302 177.026 0.276 25944 467 1 . 1 1 84 84 LEU CA C 84 55.048 55.048 53.596 1.453 25944 468 1 . 1 1 84 84 LEU CB C 84 42.662 42.662 41.798 0.864 25944 469 1 . 1 1 84 84 LEU H H 84 7.568 7.568 7.625 -0.057 25944 470 1 . 1 1 85 85 THR N N 85 111.602 111.602 116.010 -4.408 25944 471 1 . 1 1 85 85 THR HA H 85 4.291 4.291 4.442 -0.151 25944 472 1 . 1 1 85 85 THR C C 85 175.115 175.115 175.458 -0.343 25944 473 1 . 1 1 85 85 THR CA C 85 62.122 62.122 63.285 -1.163 25944 474 1 . 1 1 85 85 THR CB C 85 69.882 69.882 69.563 0.320 25944 475 1 . 1 1 85 85 THR H H 85 8.005 8.005 7.701 0.304 25944 476 1 . 1 1 86 86 GLY N N 86 110.816 110.816 111.957 -1.141 25944 477 1 . 1 1 86 86 GLY C C 86 173.491 173.491 173.848 -0.357 25944 478 1 . 1 1 86 86 GLY CA C 86 45.335 45.335 44.882 0.453 25944 479 1 . 1 1 86 86 GLY H H 86 8.246 8.246 8.775 -0.529 25944 480 1 . 1 1 87 87 TYR N N 87 119.845 119.845 119.880 -0.035 25944 481 1 . 1 1 87 87 TYR HA H 87 4.505 4.505 4.554 -0.049 25944 482 1 . 1 1 87 87 TYR C C 87 175.166 175.166 175.979 -0.813 25944 483 1 . 1 1 87 87 TYR CA C 87 58.010 58.010 58.090 -0.080 25944 484 1 . 1 1 87 87 TYR CB C 87 39.058 39.058 39.220 -0.162 25944 485 1 . 1 1 87 87 TYR H H 87 7.935 7.935 8.271 -0.336 25944 486 1 . 1 1 88 88 GLU N N 88 125.299 125.299 119.615 5.684 25944 487 1 . 1 1 88 88 GLU HA H 88 4.517 4.517 4.494 0.023 25944 488 1 . 1 1 88 88 GLU C C 88 174.024 174.024 174.551 -0.527 25944 489 1 . 1 1 88 88 GLU CA C 88 53.851 53.851 55.132 -1.281 25944 490 1 . 1 1 88 88 GLU CB C 88 30.050 30.050 30.028 0.022 25944 491 1 . 1 1 88 88 GLU H H 88 8.205 8.205 8.427 -0.222 25944 492 1 . 1 1 89 89 PRO HA H 89 4.302 4.302 4.522 -0.220 25944 493 1 . 1 1 89 89 PRO C C 89 176.800 176.800 176.203 0.597 25944 494 1 . 1 1 89 89 PRO CA C 89 63.237 63.237 63.073 0.164 25944 495 1 . 1 1 89 89 PRO CB C 89 32.100 32.100 32.307 -0.207 25944 496 1 . 1 1 90 90 ASN N N 90 118.411 118.411 119.026 -0.615 25944 497 1 . 1 1 90 90 ASN HA H 90 4.658 4.658 4.799 -0.141 25944 498 1 . 1 1 90 90 ASN C C 90 175.462 175.462 174.499 0.963 25944 499 1 . 1 1 90 90 ASN CA C 90 53.497 53.497 52.836 0.662 25944 500 1 . 1 1 90 90 ASN CB C 90 38.809 38.809 39.440 -0.631 25944 501 1 . 1 1 90 90 ASN H H 90 8.649 8.649 8.382 0.267 25944 502 1 . 1 1 91 91 SER N N 91 116.049 116.049 116.367 -0.318 25944 503 1 . 1 1 91 91 SER HA H 91 4.396 4.396 4.596 -0.200 25944 504 1 . 1 1 91 91 SER C C 91 174.844 174.844 174.104 0.740 25944 505 1 . 1 1 91 91 SER CA C 91 58.769 58.769 58.265 0.504 25944 506 1 . 1 1 91 91 SER CB C 91 63.927 63.927 63.770 0.157 25944 507 1 . 1 1 91 91 SER H H 91 8.255 8.255 8.490 -0.235 25944 508 1 . 1 1 92 92 SER N N 92 117.736 117.736 118.600 -0.864 25944 509 1 . 1 1 92 92 SER HA H 92 4.414 4.414 4.683 -0.269 25944 510 1 . 1 1 92 92 SER C C 92 174.749 174.749 173.464 1.285 25944 511 1 . 1 1 92 92 SER CA C 92 58.651 58.651 58.477 0.174 25944 512 1 . 1 1 92 92 SER CB C 92 63.952 63.952 64.012 -0.060 25944 513 1 . 1 1 92 92 SER H H 92 8.399 8.399 8.332 0.067 25944 514 1 . 1 1 93 93 SER N N 93 117.731 117.731 118.464 -0.733 25944 515 1 . 1 1 93 93 SER HA H 93 4.437 4.437 4.753 -0.316 25944 516 1 . 1 1 93 93 SER C C 93 174.918 174.918 172.718 2.200 25944 517 1 . 1 1 93 93 SER CA C 93 58.696 58.696 57.890 0.806 25944 518 1 . 1 1 93 93 SER CB C 93 63.822 63.822 64.391 -0.570 25944 519 1 . 1 1 93 93 SER H H 93 8.308 8.308 8.346 -0.038 25944 520 1 . 1 1 94 94 VAL N N 94 121.028 121.028 119.639 1.389 25944 521 1 . 1 1 94 94 VAL HA H 94 4.020 4.020 4.420 -0.400 25944 522 1 . 1 1 94 94 VAL C C 94 176.301 176.301 174.722 1.579 25944 523 1 . 1 1 94 94 VAL CA C 94 63.176 63.176 61.868 1.308 25944 524 1 . 1 1 94 94 VAL CB C 94 32.797 32.797 33.704 -0.907 25944 525 1 . 1 1 94 94 VAL H H 94 8.026 8.026 8.218 -0.192 25944 526 1 . 1 1 95 95 ASP N N 95 122.997 122.997 124.480 -1.483 25944 527 1 . 1 1 95 95 ASP HA H 95 4.537 4.537 4.722 -0.185 25944 528 1 . 1 1 95 95 ASP C C 95 176.937 176.937 176.822 0.115 25944 529 1 . 1 1 95 95 ASP CA C 95 54.806 54.806 54.464 0.342 25944 530 1 . 1 1 95 95 ASP CB C 95 41.014 41.014 41.645 -0.631 25944 531 1 . 1 1 95 95 ASP H H 95 8.274 8.274 8.668 -0.394 25944 532 1 . 1 1 96 96 LYS N N 96 121.796 121.796 120.881 0.915 25944 533 1 . 1 1 96 96 LYS HA H 96 4.163 4.163 4.119 0.044 25944 534 1 . 1 1 96 96 LYS C C 96 177.534 177.534 178.028 -0.494 25944 535 1 . 1 1 96 96 LYS CA C 96 57.500 57.500 58.544 -1.044 25944 536 1 . 1 1 96 96 LYS CB C 96 32.171 32.171 32.311 -0.140 25944 537 1 . 1 1 96 96 LYS H H 96 8.159 8.159 8.253 -0.094 25944 538 1 . 1 1 97 97 LEU N N 97 121.703 121.703 117.671 4.032 25944 539 1 . 1 1 97 97 LEU HA H 97 4.216 4.216 4.153 0.063 25944 540 1 . 1 1 97 97 LEU C C 97 177.892 177.892 178.286 -0.394 25944 541 1 . 1 1 97 97 LEU CA C 97 56.024 56.024 56.717 -0.693 25944 542 1 . 1 1 97 97 LEU CB C 97 41.755 41.755 41.368 0.387 25944 543 1 . 1 1 97 97 LEU H H 97 8.097 8.097 7.861 0.236 25944 544 1 . 1 1 98 98 ALA N N 98 123.261 123.261 121.352 1.909 25944 545 1 . 1 1 98 98 ALA HA H 98 4.158 4.158 4.127 0.031 25944 546 1 . 1 1 98 98 ALA C C 98 178.590 178.590 178.043 0.547 25944 547 1 . 1 1 98 98 ALA CA C 98 53.201 53.201 53.694 -0.493 25944 548 1 . 1 1 98 98 ALA CB C 98 18.643 18.643 18.649 -0.006 25944 549 1 . 1 1 98 98 ALA H H 98 7.998 7.998 7.928 0.070 25944 550 1 . 1 1 99 99 ALA N N 99 121.686 121.686 121.143 0.543 25944 551 1 . 1 1 99 99 ALA HA H 99 4.173 4.173 4.376 -0.203 25944 552 1 . 1 1 99 99 ALA C C 99 178.303 178.303 176.312 1.991 25944 553 1 . 1 1 99 99 ALA CA C 99 53.182 53.182 51.806 1.376 25944 554 1 . 1 1 99 99 ALA CB C 99 18.638 18.638 18.804 -0.166 25944 555 1 . 1 1 99 99 ALA H H 99 8.009 8.009 7.650 0.359 25944 556 1 . 1 1 100 100 ALA N N 100 121.570 121.570 123.113 -1.543 25944 557 1 . 1 1 100 100 ALA HA H 100 4.218 4.218 4.451 -0.233 25944 558 1 . 1 1 100 100 ALA C C 100 178.276 178.276 176.452 1.824 25944 559 1 . 1 1 100 100 ALA CA C 100 52.889 52.889 51.783 1.106 25944 560 1 . 1 1 100 100 ALA CB C 100 18.756 18.756 19.947 -1.191 25944 561 1 . 1 1 100 100 ALA H H 100 7.950 7.950 7.924 0.026 25944 562 1 . 1 1 101 101 LEU N N 101 120.160 120.160 121.404 -1.244 25944 563 1 . 1 1 101 101 LEU HA H 101 4.223 4.223 4.644 -0.421 25944 564 1 . 1 1 101 101 LEU C C 101 177.673 177.673 176.831 0.842 25944 565 1 . 1 1 101 101 LEU CA C 101 55.529 55.529 54.789 0.740 25944 566 1 . 1 1 101 101 LEU CB C 101 42.213 42.213 42.189 0.024 25944 567 1 . 1 1 101 101 LEU H H 101 7.931 7.931 8.473 -0.541 25944 stop_ save_